WO2005001417A2

WO2005001417A2 - Crystals of hepatitis c virus polymerase and/or hepatitis c virus polymerase-like proteins and the use thereof

Info

Publication number: WO2005001417A2
Application number: PCT/US2004/016763
Authority: WO
Inventors: Barry C. Finzel
Original assignee: Pharmacia and Upjohn Co; Upjohn Co
Current assignee: Pharmacia and Upjohn Co
Priority date: 2003-06-05
Filing date: 2004-05-27
Publication date: 2005-01-06
Anticipated expiration: 2005-12-05
Also published as: WO2005001417A3

Abstract

The x-ray crystal structure of hepatitis C virus polymerase or hepatitis C virus polymerase-like proteins is useful for solving the structure of other molecules or molecular complexes, and identifying and/or designing potential modifiers of hepatitis C virus polymerase activity.

Description

CRYSTALS OF HEPATITIS C VIRUS POLYMERASE AND/OR HEPATITIS C VIRUS POLYMERASE-LIKE PROTEINS AND THE USE THEREOF This application claims the benefit of U.S. Provisional Application No.

60/476,060, filed June 5, 2003, which is herein incoφorated by reference in its entirety.

FIELD OF THE INVENTION This invention relates to the crystallization and structure determination of hepatitis C virus polymerase, also known as HCV polymerase or HCV.

BACKGROUND The hepatitis C virus (HCV) is the major causative factor of non- A, non- B hepatitis that infects an estimated two hundred million people worldwide. Infection with the virus has been linked to the development of chronic disease including cirrhosis of the liver, and a predisposition to hepatocellular carcinoma. HCV is an enveloped, single-stranded RNA virus that is translated as a large polypeptide of approximately 3000 amino acids that includes structural proteins of the virus and several non-structural proteins required for viral maturation. Non-structural protein 5b (NS5b) of the virus has been identified as an RNA- dependent RNA polymerase that must catalyze viral RNA (+)-strand synthesis during replication. A method of identifying inhibitors of HCV polymerase is needed in the art.

SUMMARY OF THE INVENTION In one aspect, the present invention provides a crystal of hepatitis C virus polymerase, and methods of crystallizing a hepatitis C virus polymerase, the crystal having trigonal space group symmetry P3₂21. Preferably the crystal includes a unit cell defined by the dimensions a, b, c, , β, and γ, wherein a is about 70 A to about 110 A, b is about 70 A to about 1 10 A, c is about 170 A to about 210 A, and α=β=90° and γ^=120°. Preferably the hepatitis C virus polymerase is a monomer and the crystal includes one monomer per asymmetric unit. Preferably the hepatitis C virus polymerase has an amino acid sequence including SEQ ID NO: 1. Optionally, the hepatitis C virus polymerase has an amino acid sequence including SEQ ID NO: 1 , with the proviso that a methionine is replaced with selenomethionine. Methods of using such crystals are also provided. In another aspect, the present invention provides a method of preparing a crystal of hepatitis C virus polymerase complex including exposing a crystal of hepatitis C virus polymerase having trigonal space group symmetry P3₂21 to a fluid including a potential modifier. In another aspect, the present invention provides a method of acquiring structural information for designing potential modifiers for forming molecular complexes with hepatitis C virus polymerase. In one embodiment the method includes: exposing a crystal of hepatitis C virus polymerase having trigonal space group symmetry P3 21 to a library of potential modifiers having diverse shapes; and determining whether a potential modifier-hepatitis C virus polymerase molecular complex is formed. Preferably the method further includes identifying the chemical entity that forms the potential modifier upon determination of the formation of the potential modifier-hepatitis C virus polymerase molecular complex. Preferably determining and/or identifying includes calculating an electron density function and/or collecting x-ray diffraction data. In another aspect, the present invention provides a molecule or molecular complex having trigonal space group symmetry P3₂21 including at least a portion of a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site, wherein the binding site includes the amino acids listed in Table 4, Table 5, or Table 6, and the binding site is defined by a set of points having a root mean square deviation ol less than about 0.65 A from points representing the backbone atoms of said amino acids as represented by the structure coordinates listed in Table 1 , Table 2, or Table 3. In another aspect, the present invention provides a molecular complex including at least a portion of a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site, wherein the binding site includes the amino acids listed in Table 4 and the binding site is defined by a set of points having a root mean square deviation of less than about 0.65 A from points representing the backbone atoms of said amino acids as represented by the structure coordinates listed in Table 2 or Table 3. In another aspect, the present invention provides a molecule or molecular complex having trigonal space group symmetry P3₂21 that is structurally homologous to a hepatitis C virus polymerase molecule or molecular complex, wherein the hepatitis C virus polymerase molecule or molecular complex is represented by at least a portion of the structure coordinates listed in Table 1 , Table 2, or Table 3. In another aspect, the present invention provides a molecular complex that is structurally homologous to a hepatitis C virus polymerase molecular complex, wherein the hepatitis C virus polymerase molecular complex is represented by at least a portion of the structure coordinates listed in Table 2 or Table 3. In another aspect, the present invention provides a scalable three- dimensional configuration of points, at least a portion of said points derived from structure coordinates as listed in Table 2 or Table 3 of at least a portion of a hepatitis C virus polymerase molecule and at least a portion of a potential modifier, the configuration of points including a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site. Preferably, at least a portion of the points derived from the hepatitis C virus polymerase structure coordinates are derived from structure coordinates representing the locations of at least the backbone atoms of amino acids defining a hepatitis C virus polymerase binding site including the amino acids listed in Table 4, Table 5, or Table 6. Optionally, the three-dimensional configuration of points is displayed as a holographic image, a stereodiagram, a model, or a computer-displayed image. In another aspect, the present invention provides a scalable three- dimensional configuration of points, at least a portion of the points derived from structure coordinates of (i) at least a portion of a molecule that is structurally homologous to a hepatitis C virus polymerase molecule or molecular complex and includes a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site, and (2) at least a portion of a potential modifier. In another aspect, the present invention provides a machine-readable data storage medium including a data storage material encoded with a first set of machine readable data which, when combined with a second set of machine readable data, using a machine programmed with instructions for using said first set of data and said second set of data, can determine at least a portion of the structure coordinates corresponding to the second set of machine readable data, wherein said first set of data includes a Fourier transform of at least a portion of the structural coordinates as listed in Table 1 , Table 2, or Table 3 for a hepatitis C virus polymerase molecule or molecular complex having trigonal space group symmetry P3₂21, and said second set of data includes an x-ray diffraction pattern of a molecule or molecular complex of unknown structure. In another aspect, the present invention provides a machine-readable data storage medium including a data storage material encoded with a first set of machine readable data which, when combined with a second set of machine readable data, using a machine programmed with instructions for using said first set of data and said second set of data, can determine at least a portion of the structure coordinates corresponding to the second set of machine readable data, wherein said first set of data includes a Fourier transform of at least a portion of the structural coordinates as listed in Table 2 or Table 3 for a hepatitis C virus polymerase molecular complex, and said second set of data includes an x-ray diffraction pattern of a molecule or molecular complex of unknown structure. In another aspect, the present invention provides a method for obtaining structural information about a molecular complex of unknown structure. The method includes: crystallizing the molecular complex; generating an x-ray diffraction pattern from the crystallized molecular complex; and applying to the x-ray diffraction pattern at least a portion of the structure coordinates as set forth in Table 2 or Table 3 for hepatitis C virus polymerase to generate a three- dimensional electron density map of at least a portion of the molecular complex whose structure is unknown. In another aspect, the present invention provides a method for homology modeling a hepatitis C virus polymerase homolog. The method includes: aligning the amino acid sequence of a hepatitis C virus polymerase homolog with an amino acid sequence of hepatitis C virus polymerase and incorporating the sequence of the hepatitis C virus polymerase homolog into a model of hepatitis C vims polymerase formed from structure coordinates as set forth in Table 1, Table 2, or Table 3 for hepatitis C virus polymerase to yield a preliminary model of the hepatitis C virus polymerase homolog; subjecting the preliminary model to energy minimization to yield an energy minimized model; and remodeling regions of the energy minimized model where stereochemistry restraints are violated to yield a final model of the hepatitis C virus polymerase homolog. In another aspect, the present invention provides computer-assisted methods for identifying, designing, or making a potential modifier of hepatitis C virus polymerase activity. Preferably the methods include screening a library of chemical entities.

ABBREVIATIONS The following abbreviations may be used throughout this disclosure:

Hepatitis C virus (HCV)

Hepatitis C virus polymerase (HCVpol)

Nonstructural Protein 5b (NS5b) 4-(2-Hydroxyethyl)-l-piperazineethanesulfonic acid (HEPES)

2-Amino-2-hydroxymethyl- 1 ,3-propanediol (TRIS) Polyethylene Glycol (PEG)

Dimethyl sulfoxide (DMSO)

Dithiothreitol (DTT)

Ethylenediaminetetraacetic acid (EDTA)

Phenylmethylsulfonyl fluoride (PMSF) β-mercaptoethanol (βME)

Multiple anomalous dispersion (MAD)

Root mean square (r. .s.)

Root mean square deviation (r.m.s. d.) The following amino acid abbreviations are used throughout this disclosure:

A = Ala = Alanine T = Thr = Threonine V = Val = Valine C = Cys = Cysteine L = Leu = Leucine Y = Tyr = Tyrosine I = De = Isoleucine N = Asn = Asparagine P = Pro = Proline Q = Gin = Glutamine F = Phe = Phenylalanine D = Asp = Aspartic Acid W = Trp = Tryptophan E = Glu = Glutamic Acid M = Met = Methionine K = Lys = Lysine G = Gly = Glycine R = Arg = Arginine S = Ser = Serine

H = His = Histidine

BRIEF DESCRIPTION OF THE FIGURES Figure 1 is an illustration of the amino acid sequence (SEQ ID NO: 1) of hepatitis C virus I B J l C-delta-21. Figure 2 is an illustration of the chemical structures of potential modifiers. Figure 2a is the chemical structure of PHA-562769. Figure 2b is the chemical structure of PHA-729145. Figure 3 is a ribbon representation of the structure of HCV NS5b polymerase. The location of the product grip haiφin (e.g., residues 443-454) is indicated by an arrow. The location of the primer grip (e.g., residues 362-368) is inside the circle. Figures 3a and 3b are two roughly peφendicular views. Figure 4 is a ribbon representation of the structure of HCV NS5b polymerase illustrating the core Primer Grip binding site. Two bound compounds (e.g., PHA-562769 and PHA-729145, the locations of which are indicated by arrows) are included to indicate the location of the core binding site. Figures 4a and 4b are two roughly peφendicular views. Figure 5 illustrates the relationship between bound PHA-562769 and bound PHA-729145, the locations of which are indicated by arrows, in the Primer Grip binding site. A surface is shown to illustrate pocket geometry created by neighboring enzyme amino acid residues. Figure 6 is an illustration of the amino acid sequence of HCV genotype lb, isolate Jl full-length protein (SEQ ID NO:2). Figure 7 is an illustration of the three-dimensional structure of the HCV polymerase having three distinct domains identified as Fingers, Palm, and Thumb, after the polymerase nomenclature of Kohlstaedt et al., Science, 256: 1783-1790 (1992). The connection segment to the C-terminal hydrophobic domain of NS5b is the gray strand indicated by the arrow. The hydrophobic domain (black on the bottom of the sidebar) has been excluded from the construct (J l CΔ21) to facilitate crystallization. The final 7 residues (564-570) are disordered in the structure and so omitted from the figure. This figure was prepared with software Molscript v2.0 (Kraulis, J. Appl. Cryst., 24:946-950 (1992)) and Raster3D v2.4j (Merritt et al., Methods in Enzymology, 277:505-524 ( 1997)). DETAILED DESCRIPTION OF PREFERRED EMBODIMENTS Tables 1-3 list atomic structure coordinates derived by x-ray diffraction for crystals of native hepatitis C virus polymerase, crystals of PHA-562769- hepatitis C virus polymerase, and PHA-729145-hepatitis C virus polymerase, respectively. Column 1 lists a number for the atom in the structure. Column 2 lists the element whose coordinates are measured. The first letter(s) in the column define the element. If the element is part of an amino acid, column 3 lists the type of amino acid using the three-letter abbreviations listed herein above; if the element is part of a water molecule, column 3 lists HOH; if the element is part of a potential modifier or inhibitor, column 3 lists INH; if the element is part of a phosphate anion, column 3 lists PO4; if the element is part of a bound glycerol, column 3 lists GOL; and if the element is a chloride anion, column 3 lists CL1. Column 4 lists the chain id (A for the inhibitor-HCVpol molecular complex in the asymmetric unit, B for chloride and/or phosphate anions, C for bound glycerols, and W for water molecules). Column 5 lists a number for the amino acid or molecule in the structure. Columns 6-8 list the crystallographic coordinates X, Y, and Z respectively. The crystallographic coordinates define the atomic position of the element measured. Column 9 lists an occupancy factor that refers to the fraction of the molecules in which each atom occupies the position specified by the coordinates. A value of " 1 " indicates that each atom has the same conformation, i.e., the same position, in all molecules of the crystal. Column 10 lists a thermal factor "B" that measures movement of the atom around its atomic center.

CRYSTALLINE FORM(S) AND METHOD OF MAKING The three-dimensional structure of hepatitis C virus polymerase was solved using x-ray crystallography to 1.9 A resolution for a hepatitis C virus polymerase crystal. Preferably, the hepatitis C virus polymerase is from the HCV genotype IB J l strain. More preferably, the hepatitis C virus polymerase is from truncated HCV genotype IB J l strain (C-delta-21). Preferably, the crystal has trigonal space group symmetry P3₂21. Preferably, the crystal includes parallelpiped shaped unit cells, each unit cell having dimensions a=90 ± 20 A, b=90 ± 20 A, c=190 ± 20 A, and α=β=90° and 7^120°. More preferably, the crystal includes parellelpiped shaped unit cells, each unit cell having dimensions a=90 ± 5 A, b=90 ± 5 A, c=190 ± 5 A, and α=β=90° and γ=120°. Most preferably, the crystal includes parallelpiped shaped unit cells, each unit cell having dimensions of about a=90 A, b=90 A, c=190 A, and α=β=90° and γ=120°. Preferably, the crystallized enzyme is a monomer having six monomers in the unit cell (i.e., one monomer per asymmetric unit). Crystals can be prepared from frozen HCV NS5b protein in buffer containing 20 mM Tris pH 7.5, 20% glycerol, 500 mM NaCl, 10 mM MgCl₂, 250 mM imidazole, 0.1 mM PMSF, 2 μg/ml leupeptin and 5 mM βME at a protein concentration of 1.5-2.5 mg/ml. For crystallization experiments protein is thawed, exchanged into 20 mM HEPES pH 7.5, 20 mM DTT, 1 mM EDTA, 100 mM NaCl, 5% glycerol and 10 mM MgCl₂, and concentrated to 20 mg/ml. Prepared protein is then aliquoted and stored at -80°C. Crystals may be grown by hanging drop vapor diffusion from 2-15% PEG 8000, 10% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl , and 5 mM DTT. Large, single crystals measuring 0.3 x 0.3 x 0.6 mm grow in 2-5 days. For low temperature data collection, crystals may be slowly introduced into a cryo-solution containing 3-20% PEG, 20-25% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl₂, and 5 mM DTT. Crystals may be frozen and stored in liquid nitrogen. Vapor diffusion methods (e.g., a hanging drop vapor diffusion method) are preferred for optimal crystal growth. Crystals may be slowly grown over a number of days, for example, 2-5 days. The crystal moφhology preferably includes large, single crystals with an approximate size of 0.3 x 0.3 x 0.6 mm. Variation in buffer and buffer pH as well as other additives such as PEG, PEG-MME, PEG-DME, or polyoxyalkylenepolyamines is apparent to those skilled in the art and may result in similar crystals. The invention further includes a hepatitis C virus polymerase crystal that is isomoφhous with a hepatitis C virus polymerase crystal having a unit cell defined by the dimensions of a, b, c, α, β, and γ, wherein a is about 70 A to about 1 10 A, b is about 70 A to about 110 A, c is about 170 A to about 210 A, and α=β=90° and γ=120°.

SOAKING PROTOCOL TO INCORPORATE POTENTIAL MODIFIERS The P3₂21 crystal form of hepatitis C virus polymerase, preferably the native form, may be used with soaking methods to form molecular complexes with potential modifiers. As used herein, "native" form means that the crystallized hepatitis C virus polymerase molecule does not include substantial amounts of binding sites having a potential modifier complexed thereto. As used herein, a "potential modifier" refers to a chemical entity that could function as a drug candidate (e.g., modifiers and inhibitors). Preferably, a "native" crystal includes at least about 70% uncomplexed binding sites, more preferably at least about 90% uncomplexed binding sites, even more preferably at least about 95% uncomplexed binding sites, and most preferably about 100% uncomplexed binding sites. The native P3₂21 crystal form of hepatitis C virus polymerase led to several experiments to test its utility in hepatitis C virus polymerase-potential modifier molecular complex formation. As used herein, a "molecular complex" means a protein in covalent or non-covalent association with a chemical entity (e.g., a potential modifier). Crystal forms that possess large enough solvent channels can be used to form complexes by soaking potential modifiers into the crystal. Experiments with the inhibitors shown in Figure 2a and 2b revealed that this potential modifier (e.g., an inhibitor) could be successfully added to the crystallization drop (after formation of the crystals) in order to form a complex with hepatitis C virus polymerase. Various other inhibitors of different levels of potency were tested in order to define the parameters for soaking compounds into these crystals. Solutions for compound (i.e., inhibitor) soaking and cryoprotection ("cryo" solutions) of crystals may be prepared in bulk and frozen in 1 ml aliquots at -20°C for future use. Soaking solutions may be prepared using, for example, 3-16% PEG8000, 10-15% glycerol, 50mM Tris pH=8.5, lOmM MgCl₂, and 5mM DTT, where the PEG concentration is selected to be 1 % greater than used in the crystallization well solution. Cryo solutions may be prepared using, for example, 3-16% PEG8000, 20-25% glycerol, 50 M Tris pH=8.5, 10 mM MgCl₂ and 5 mM DTT, where the PEG8000 concentration is selected to be 1 % greater than used in the crystallization well solution. Solid inhibitor can preferably be dissolved in DMSO to make 100 mM stock solution, or diluted to 50 mM if solubility is limited. Inhibitor stock solutions may preferably be added to both soaking and cryo solutions to bring the concentration of inhibitor to 2 mM throughout soaking and cryoprotection. The soaking solution with compound may preferably be added (slowly) directly to the drops over approximately 1-1.5 hours. Soaking solution may be added, for example, in the following volumes with approximately 15 minutes between additions: O.lul, 0.25ul, 0.5ul, l.Oul, 2.0ul, -2ul +2ul. The transfers to cryo solutions may be done using the same additions as described for the soaking solution, with one added step. Before plunging the crystals into liquid nitrogen, the crystals may be dipped in 100% cryo solution for 30seconds. The total soaking time is generally recorded at the beginning of the transfers and also includes the time during cryo solution transfers. Crystals are typically soaked for between 4 hours and 3 days. Routine use of the P3₂21 crystal form for the preparation of hepatitis C virus polymerase-potential modifier complexes may significantly reduce the time between receipt of a compound for testing and generation of a complex. Because separate co-crystallization experiments are not required for each compound, complexes can be generated within a few days and subsequently data can be collected. Crystallography may preferably be used to screen and identify chemical entities that are not known potential modifiers of target biomolecules as disclosed, for example, in U.S. Pat. No. 6,297,021 (Nienaber et al.). For example, crystallography may preferably be used to screen and identify chemical entities that are not known potential modifiers of hepatitis C virus polymerase for their ability to bind to hepatitis C virus polymerase. A preferred method includes obtaining a crystal of hepatitis C virus polymerase; exposing the hepatitis C virus polymerase to one or more test samples that include a potential modifier of the hepatitis C virus polymerase; and determining whether a potential modifier-hepatitis C virus polymerase molecular complex is formed. The hepatitis C virus polymerase may be exposed to potential modifiers by various methods including, for example, soaking a hepatitis C virus polymerase crystal in a solution of one or more potential modifiers, or co-crystallizing hepatitis C virus polymerase in the presence of one or more potential modifiers. Structural information from the potential modifier-hepatitis C virus polymerase complexes found may preferably be used to design new potential modifiers that bind tighter, bind more specifically, have desired biological activity properties, have better safety profiles than known potential modifiers, and combinations thereof. For example, libraries of "shape-diverse" chemical entities may preferably be used to allow direct identification of the potential modifier-hepatitis C virus polymerase complex even when the potential modifier is exposed as part of a mixture. As used herein, "shape diverse" refers to potential modifiers having substantial differences in three-dimensional shapes that can be recognized, for example, by visual inspection of the two dimensional chemical structures, or by calculation and comparison of relevant parameters by a computational program. Shape diversity of the mixture permits a bound potential modifier to be identified directly from the resultant electron density map. This preferably avoids the need for time-consuming deconvolution of a hit from the mixture. Here, three important steps are preferably achieved simultaneously. Preferably, the calculated electron density function directly reveals the binding event, identifies the bound chemical entity, and provides a detailed 3-D structure of the potential modifier-hepatitis C virus polymerase complex. Once a hit is found, preferably a number of analogs or derivatives of the hit may be screened for tighter binding or desired biological activity by traditional screening methods. Moreover, the identity of the hit and information about structure of the target may preferably be used to develop analogs or derivatives with tighter binding or desired biological activity properties. Optionally, the potential modifier-hepatitis C virus polymerase complex may be exposed to additional iterations of potential modifiers so that two or more hits may preferably be linked together to identify or design a more potent potential modifier.

X-RAY CRYSTALLOGRAPHIC ANALYSIS Each of the constituent amino acids of hepatitis C virus polymerase is defined by a set of structure coordinates as set forth in Table 1. The term "structure coordinates" refers to Cartesian coordinates derived from mathematical equations related to the patterns obtained on diffraction of a monochromatic beam of x-rays by the atoms (scattering centers) of a hepatitis C virus polymerase complex in crystal form. The diffraction data are used to calculate an electron density map of the repeating unit of the crystal. The electron density maps are then used to establish the positions of the individual atoms of the hepatitis C virus polymerase protein or protein-potential modifier complex. Slight variations in structure coordinates can be generated by mathematically manipulating the hepatitis C virus polymerase or hepatitis C virus polymerase-potential modifier structure coordinates. For example, the structure coordinates set forth in Table 1 could be manipulated by crystallographic permutations of the structure coordinates, fractionalization of the structure coordinates, integer additions or subtractions to sets of the structure coordinates, inversion of the structure coordinates or any combination of the above. Alternatively, modifications in the crystal structure due to mutations, additions, substitutions, and/or deletions of amino acids, or other changes in any of the components that make up the crystal, could also yield variations in structure coordinates. Such slight variations in the individual coordinates will have little effect on overall shape. If such variations are within an acceptable standard error as compared to the original coordinates, the resulting three- dimensional shape is considered to be structurally equivalent. Structural equivalence is described in more detail below. It should be noted that slight variations in individual structure coordinates of the hepatitis C virus polymerase would not be expected to significantly alter the nature of chemical entities such as potential modifiers that could associate with the binding sites. In this context, the phrase "associating with" refers to a condition of proximity between a chemical entity, or portions thereof, and a hepatitis C virus polymerase molecule or portions thereof. The association may be non-covalent, wherein the juxtaposition is energetically favored by hydrogen bonding, van der Waals forces, or electrostatic interactions, or it may be covalent. Thus, for example, a potential modifier that bound to a binding site of hepatitis C virus polymerase would also be expected to bind to or interfere with a structurally equivalent binding site. For the puφose of this invention, any molecule or molecular complex or binding site thereof, or any portion thereof, that has a root mean square deviation of conserved residue backbone atoms (N, Cα, C, O) of less than about 0.65 A, when superimposed on the relevant backbone atoms described by the reference structure coordinates listed in Table 1, is considered "structurally equivalent" to the reference molecule. That is to say, the crystal structures of those portions of the two molecules are substantially identical, within acceptable error. As used herein, "residue" refers to one or more atoms. Particularly preferred structurally equivalent molecules or molecular complexes are those that are defined by the entire set of structure coordinates listed in Table 1 ± a root mean square deviation from the conserved backbone atoms of those amino acids of less than about 0.65 A. More preferably, the root mean square deviation is at most about

0.5 A, and even more preferably, at most about 0.35 A. Other embodiments of this invention include a molecular complex defined by the structure coordinates listed in Table 1 for those amino acids listed in Table 4, Table 5, or Table 6 ± a root mean square deviation from the conserved backbone atoms of those amino acids of less than about 0.65 A, preferably at most about 0.5 A, and more preferably at most about 0.35 A. The term "root mean square deviation" means the square root of the arithmetic mean of the squares of the deviations. It is a way to express the deviation or variation from a trend or object. For puφoses of this invention, the "root mean square deviation" defines the variation in the backbone of a protein from the backbone of hepatitis C virus polymerase or a binding site portion thereof, as defined by the structure coordinates of hepatitis C virus polymerase described herein. It will be readily apparent to those of skill in the art that the numbering of amino acids in other isoforms of hepatitis C virus polymerase may be different than that of hepatitis C virus polymerase expressed in E. coli.

BINDING SITE AND OTHER STRUCTURAL FEATURES Applicants' invention provides information about the shape and structure of the binding site of hepatitis C virus polymerase in the presence of a potential modifier. Binding sites are of significant utility in fields such as drug discovery. The association of natural potential modifiers or substrates with the binding sites of their corresponding receptors or enzymes is the basis of many biological mechanisms of action. Similarly, many drugs exert their biological effects through association with the binding sites of receptors and enzymes. Such associations may occur with all or any parts of the binding site. An understanding of such associations helps lead to the design of drugs having more favorable associations with their target, and thus improved biological effects. Therefore, this information is valuable in designing potential modifiers of hepatitis C virus polymerase-like binding sites, as discussed in more detail below. The term "binding site," as used herein, refers to a region of a molecule or molecular complex, that, as a result of its shape, favorably associates with another chemical entity. Thus, a binding site may include or consist of features such as cavities, surfaces, or interfaces between domains. Chemical entities that may associate with a binding site include, but are not limited to, cofactors, substrates, modifiers, agonists, and antagonists. The amino acid constituents of a hepatitis C virus polymerase binding site as defined herein are positioned in three dimensions in accordance with the structure coordinates listed in Table 1, Table 2, and/or Table 3. In one aspect, the structure coordinates defining a binding site of hepatitis C virus polymerase include structure coordinates of all atoms in the constituent amino acids; in another aspect, the structure coordinates of a binding site include structure coordinates of just the backbone atoms of the constituent amino acids. The binding site of hepatitis C virus polymerase preferably includes the amino acids listed in Table 4, more preferably the amino acids listed in Table 5, and most preferably the amino acids listed in Table 6, as represented by the structure coordinates listed in Table 1, Table 2, and/or Table 3. Alternatively, the binding site of hepatitis C virus polymerase may be defined by those amino acids whose backbone atoms are situated within about 4 A, more preferably within about 7 A, most preferably within about 10 A, of one or more constituent atoms of a bound substrate or modifier. In yet another alternative, the binding site may be defined by those amino acids whose atoms are situated within a given distance of atoms of a bound potential modifier (e.g., an inhibitor) as defined in Table 2 or Table 3, the distance being about 4 A, preferably about 7 A, and more preferably about 10 A. The term "hepatitis C virus polymerase-like binding site" refers to a portion of a molecule or molecular complex whose shape is sufficiently similar to at least a portion of a binding site of hepatitis C virus polymerase as to be expected to bind related structural analogues. As used herein, "at least a portion" means that at least about 50% of the amino acids are included, preferably at least about 70% of the amino acids are included, more preferably at least about 90% of the amino acids are included, and most preferably all the amino acids are included. A structurally equivalent binding site is defined by a root mean square deviation from the structure coordinates of the backbone atoms of the amino acids that make up binding sites in hepatitis C virus polymerase (as set forth in Table 1) of at most about 0.35 A. How this calculation is obtained is described below. Accordingly, the invention provides molecules or molecular complexes including a hepatitis C virus polymerase binding site or hepatitis C virus polymerase-like binding site, as defined by the sets of structure coordinates described above.

TABLE 4: Residues with 4A of Core Primer Grip Binding Site.

TABLE 5: Residues with 7A of Core Primer Grip Binding Site.

TABLE 6: Residues with lOA of Core Primer Grip Binding Site.

OVERVIEW OF STRUCTURES. HCV polymerase (NS5b) was crystallized and the structure was determined. A C-terminally truncated construct of the HCV-1 Jl strain (Jl CΔ21) was crystallized in a unique trigonal crystal form (P3₂21) with one molecule in the crystallographic asymmetric unit. The sequence of the construct is given in Figure 6. The structure was solved by molecular replacement, and was subsequently refined against diffraction data extending to 1.9 A resolution. The final R-value is 0.198 (Table 7). The final model includes all residues from the N-terminus to Ser-563. The last seven residues of the NS5b polypeptide and the six-histidine tag added to the C-terminus for ease of purification are disordered in this crystal form. The model also includes 512 ordered water molecules and 6 glycerol molecules. TABLE 7: Diffraction data summary

Space Group P3₂21 Data set ID aps256 Chiron-jlcd2 Cell Parameters a=b 90.11 A 89.72 A c 189.71 A 189.57 A Resolution 2.4A 1.9 A No. Observations 383,680 - No. Unique reflections 35.584 64,111 % Completeness >99% 92% R sym 0.064 _

The HCV NS5b structure has an architecture that has been compared to a right hand with Fingers, Palm and Thumb domains (Figure 7). This topology is shared with a variety of different DNA and RNA-dependent polymerases. The Fingers of HCV polymerase are particularly large, dominated by extended beta structure that reaches all the way across the palm to interact extensively with the thumb, giving the impression of a somewhat closed hand. One large loop inserted into the palm domain (e.g., residues 228-283) emerges from the palm domain to complete the fold of these extended fingers. A large globular Fingers domain has not been seen in other polymerase structures in the absence of template primer. The thumb is very well developed also, and is larger and better ordered than in other viral polymerases (Hansen et al., Structure, 5: 1109-1122 ( 1997)). A 34 residue segment at the end of the thumb would normally connect to the C-terminal hydrophobic domain truncated from the J1Δ21 construct. This "connection segment" takes an extended and meandering course back across the front of the palm to interact with the beta haiφin of the thumb (e.g., residues 443-454). This segment cannot therefore be considered part of the thumb and has been colored gray in Figure 7. While representing the first reported crystal structure of an HCV polymerase from the Jl HCV- lb viral strain, and exhibiting a unique intermolecular packing giving rise to P3₂21 space group, the structure closely resembles other structures reported for different constructs or viral strains. We have compared the atomic coordinates to other coordinates that are available: 1C2P (Lesburg et al., Nat. Struct. Biol, 6:937-943 (1999)); 1CSJ (Bressanelli et al., Proc. Nat. Acad. Sci. USA, 96: 13034-13039 (1999)); and 1QUV (Ago et al., Structure, 7: 1417-1426 (1999)). The results are summarized in Table 8. Our molecular model most closely resembles the coordinates of 1C2P (Lesburg et al., Nat. Struct. Biol, 6:937-943 (1999)). Larger structural differences

(characterized by backbone r.m.s. differences in excess of 2.0 A) are isolated in a few regions of considerable flexibility. These include residues 22-28, 149-153, 306-309 and 532-546. Residues 22-28 and 149-153 are part of external loops on the back of the fingers the are largely disordered in all of the structures. Residues 306-309 form a connection between helix αJ and the catalytic beta sheet of the palm domain, but is far from the active site and on the molecular surface. Residues 532-546 show some variability among the four available CΔ21 structures. No large systematic differences in domain position are revealed by this comparison.

Paten 01225.PCT

TABLE 8: RMS difference in alpha-carbon positions (A) after supeφosition of HCV polymerase coordinates onto trigonal crystal forn Structure Atoms used 1CSJ-A 1CSJ-B 1QUV 1C2P-A 1C2P-B All atoms 1.41 1.42 1.40 1.15 1.16 lckbone atoms 1.04 1.06 0.93 0.68 0.67 Cα only 1.02 1.02 0.92 0.66 0.66 Structures each compared to the presently disclosed trigonal crystal form: Space group P3₂21 ; α=b=89.7 A, c= 189.6 A; Z=l; residues 1-563. 1CSJ Merck-IRBM orthorhombic crystal form (Bressanelli et al., Proc. Nat. Acad. Sci. USA, 96: 13034-13039 (1999)) Space group P2,2*2*; α=67.1 A, b=96.9 A, c=194.4 A; Z=2 Molecule 1CSJ-A. Residues 1-531. Molecule 1CSJ-B. Residues 1-531. 1 QUV Japan Tobacco tetragonal crystal form (Ago et al., Structure, 7: 1417-1426 (1999)) Space group P4₃2*2; α=b=63.7 A, c=262.9 A; Z=l Residues 1-555, 544-546 missing. 1C2P Schering-Plough orthorhombic form (Lesburg et al., Nat. Struct. Biol, 6:937-943 (1999)) Space group P2-2-2-; α=86.8 A b=63.7 A, c=262.9 A; Z=2 Molecule 1C2P-A; Residues 1-563, 149-153 missing. Molecule 1C2P-B; Residues 1-566. 149-153 missing.

The utility of the trigonal crystal form has been demonstrated through the preparation and characterization of multiple co-crystal structures with potential modifiers or inhibitors of HCV polymerases. Sample preparation of two such complexes are illustrated in this application as Examples 2 and 3. The two molecules illustrated in Figure 2 are known by biochemical analyses to inhibit the polymerization of polymeric oligonucleotide substrates. Structural analysis has shown that both of these molecules bind in a cavity on the HCV polymerase surface at the interface of the Thumb and Palm domains and the connection segment (Figure 4). The binding site is adjacent to the "Primer Grip" motif (e.g., residues 363-367) (Hansen et al., Structure, 5:1109-1 122 (1997)), and so is called the "Primer Grip Binding site." The site is also bounded by another beta- haiφin called the "Substrate Grip" (e.g., residues 443-454) because of suspected role of this segment in gripping oligonucleotide duplex substrates (Lesburg et al., Nat. Struct. Biol, 6:937-943 (1999)). The position of both of these segments is highlighted in the illustrations of the native structure depicted in Figure 3. Because the binding site is adjacent to the catalytic site of nucleic acid polymerizaton of the HCV polymerase, molecules that bind at this site could serve as potential candidate anti-Hepatitis C virus therapeutics. Detailed interactions between the small molecule modifiers and the enzyme amino acids defined by this pocket (Figure 5) can be of value in an interative process of structure-based drug design. These compounds bind without significantly altering the structure of the HCV polymerase enzyme structure, and without perturbing the packing relationship of molecules in the trigonal crystal form. The structure of HCV polymerase complexes can be readily solved by well-known replacement techniques given the atomic coordinates of the Jl HCV- lb CD21 native crystal form (Table 1 ), and structural information utilized in further molecular design work, as described below. Details of atomic coordinates from these complexes are given in Tables 2 and 3. THREE-DIMENSIONAL CONFIGURATIONS X-ray structure coordinates define a unique configuration of points in space. Those of skill in the art understand that a set of structure coordinates for protein or an protein-potential modifier complex, or a portion thereof, define a relative set of points that, in turn, define a configuration in three dimensions. A similar or identical configuration can be defined by an entirely different set of coordinates, provided the distances and angles between coordinates remain essentially the same. In addition, a scalable configuration of points can be defined by increasing or decreasing the distances between coordinates by a scalar factor while keeping the angles essentially the same. The present invention thus includes the scalable three-dimensional configuration of points derived from the structure coordinates of at least a portion of a hepatitis C virus polymerase molecule or molecular complex, as listed in Table 1 , as well as structurally equivalent configurations, as described below. Preferably, the scalable three-dimensional configuration includes points derived from structure coordinates representing the locations of a plurality of the amino acids defining a hepatitis C virus polymerase binding site. In one embodiment, the scalable three-dimensional configuration includes points derived from structure coordinates representing the locations the backbone atoms of a plurality of amino acids defining the hepatitis C virus polymerase binding site, preferably the amino acids listed in Table 4, more preferably the amino acids listed in Table 5, and most preferably the amino acids listed in Table 6. Alternatively, the scalable three-dimensional configuration includes points derived from structure coordinates representing the locations of the side chain and the backbone atoms (other than hydrogens) of a plurality of the amino acids defining the hepatitis C virus polymerase binding site, preferably the amino acids listed in Table 4, more preferably the amino acids listed in Table 5, and most preferably the amino acids listed in Table 6. Likewise, the invention also includes the scalable three-dimensional configuration of points derived from structure coordinates of molecules or molecular complexes that are structurally homologous to hepatitis C virus polymerase, as well as structurally equivalent configurations. Structurally homologous molecules or molecular complexes are defined below.

Advantageously, structurally homologous molecules can be identified using the structure coordinates of hepatitis C virus polymerase according to a method of the invention. The configurations of points in space derived from structure coordinates according to the invention can be visualized as, for example, a holographic image, a stereodiagram, a model, or a computer-displayed image, and the invention thus includes such images, diagrams or models.

STRUCTURALLY EQUIVALENT CRYSTAL STRUCTURES Various computational analyses can be used to determine whether a molecule or a binding site portion thereof is "structurally equivalent," defined in terms of its three-dimensional structure, to all or part of hepatitis C virus polymerase or its binding sites. Such analyses may be carried out in current software applications, such as the Molecular Similarity application of QUANTA (Molecular Simulations Inc., San Diego, CA) version 4.1, and as described in the accompanying User's Guide. The Molecular Similarity application permits comparisons between different structures, different conformations of the same structure, and different parts of the same structure. The procedure used in Molecular Similarity to compare structures is divided into four steps: (1) load the structures to be compared; (2) define the atom equivalences in these structures; (3) perform a fitting operation; and (4) analyze the results. Each structure is identified by a name. One structure is identified as the target (i.e., the fixed structure); all remaining structures are working structures (i.e., moving structures). Since atom equivalency within QUANTA is defined by user input, for the purpose of this invention equivalent atoms are defined as protein backbone atoms (N, Cα, C, and O) for all conserved residues between the two structures being compared. A conserved residue is defined as a residue which is structurally or functionally equivalent. Only rigid fitting operations are considered. When a rigid fitting method is used, the working structure is translated and rotated to obtain an optimum fit with the target structure. The fitting operation uses an algorithm that computes the optimum translation and rotation to be applied to the moving structure, such that the root mean square difference of the fit over the specified pairs of equivalent atom is an absolute minimum. This number, given in angstroms, is reported by QUANTA.

MACHINE READABLE STORAGE MEDIA Transformation of the structure coordinates for all or a portion of hepatitis C virus polymerase or the hepatitis C virus polymerase-potential modifier complex or one of its binding sites, for structurally homologous molecules as defined below, or for the structural equivalents of any of these molecules or molecular complexes as defined above, into three-dimensional graphical representations of the molecule or complex can be conveniently achieved through the use of commercially-available software. The invention thus further provides a machine-readable storage medium including a data storage material encoded with machine readable data which, when using a machine programmed with instructions for using said data, displays a graphical three-dimensional representation of any of the molecule or molecular complexes of this invention that have been described above. In a preferred embodiment, the machine-readable data storage medium includes a data storage material encoded with machine readable data which, when using a machine programmed with instructions for using said data, displays a graphical three- dimensional representation of a molecule or molecular complex including all or any parts of a hepatitis C virus polymerase binding site or an hepatitis C virus polymerase-like binding site, as defined above. In another preferred embodiment, the machine-readable data storage medium includes a data storage material encoded with machine readable data which, when using a machine programmed with instructions for using said data, displays a graphical three- dimensional representation of a molecule or molecular complex defined by the structure coordinates of all of the amino acids listed in Table 1 , ± a root mean square deviation from the backbone atoms of said amino acids of less than about 0.65 A, more preferably at most about 0.5 A, and even more preferably, at most about 0.35 A. In an alternative embodiment, the machine-readable data storage medium includes a data storage material encoded with a first set of machine readable data which includes the Fourier transform of the structure coordinates set forth in Table 1, and which, when using a machine programmed with instructions for using said data, can be combined with a second set of machine readable data including the x-ray diffraction pattern of a molecule or molecular complex to determine at least a portion of the structure coordinates corresponding to the second set of machine readable data. For example, a system for reading a data storage medium may include a computer including a central processing unit ("CPU"), a working memory which may be, e.g., RAM (random access memory) or "core" memory, mass storage memory (such as one or more disk drives or CD-ROM drives), one or more display devices (e.g., cathode-ray tube ("CRT") displays, light emitting diode ("LED") displays, liquid crystal displays ("LCDs"), electroluminescent displays, vacuum fluorescent displays, field emission displays ("FEDs"), plasma displays, projection panels, etc.), one or more user input devices (e.g., keyboards, microphones, mice, track balls, touch pads, etc.), one or more input lines, and one or more output lines, all of which are interconnected by a conventional bidirectional system bus. The system may be a stand-alone computer, or may be networked (e.g., through local area networks, wide area networks, intranets, extranets, or the internet) to other systems (e.g., computers, hosts, servers, etc.). The system may also include additional computer controlled devices such as consumer electronics and appliances. Input hardware may be coupled to the computer by input lines and may be implemented in a variety of ways. Machine-readable data of this invention may be inputted via the use of a modem or modems connected by a telephone line or dedicated data line. Alternatively or additionally, the input hardware may include CD-ROM drives or disk drives. In conjunction with a display terminal, a keyboard may also be used as an input device. Output hardware may be coupled to the computer by output lines and may similarly be implemented by conventional devices. By way of example, the output hardware may include a display device for displaying a graphical representation of a binding site of this invention using a program such as QUANTA as described herein. Output hardware might also include a printer, so that hard copy output may be produced, or a disk drive, to store system output for later use. In operation, a CPU coordinates the use of the various input and output devices, coordinates data accesses from mass storage devices, accesses to and from working memory, and determines the sequence of data processing steps. A number of programs may be used to process the machine-readable data of this invention. Such programs are discussed in reference to the computational methods of drug discovery as described herein. References to components of the hardware system are included as appropriate throughout the following description of the data storage medium. Machine-readable storage devices useful in the present invention include, but are not limited to, magnetic devices, electrical devices, optical devices, and combinations thereof. Examples of such data storage devices include, but are not limited to, hard disk devices, CD devices, digital video disk devices, floppy disk devices, removable hard disk devices, magneto-optic disk devices, magnetic tape devices, flash memory devices, bubble memory devices, holographic storage devices, and any other mass storage peripheral device. It should be understood that these storage devices include necessary hardware (e.g., drives, controllers, power supplies, etc.) as well as any necessary media (e.g., disks, flash cards, etc.) to enable the storage of data.

STRUCTURALLY HOMOLOGOUS MOLECULES, MOLECULAR COMPLEXES, AND CRYSTAL STRUCTURES The structure coordinates set forth in Table 1 can be used to aid in obtaining structural information about another crystallized molecule or molecular complex. The method of the invention allows determination of at least a portion of the three-dimensional structure of molecules or molecular complexes which contain one or more structural features that are similar to structural features of hepatitis C virus polymerase. These molecules are referred to herein as "structurally homologous" to hepatitis C virus polymerase. Similar structural features can include, for example, regions of amino acid identity, conserved active site or binding site motifs, and similarly arranged secondary structural elements (e.g., α helices and β sheets). Optionally, structural homology is determined by aligning the residues of the two amino acid sequences to optimize the number of identical amino acids along the lengths of their sequences; gaps in either or both sequences are permitted in making the alignment in order to optimize the number of identical amino acids, although the amino acids in each sequence must nonetheless remain in their proper order. Preferably, two amino acid sequences are compared using the Blastp program, version 2.0.9, of the BLAST 2 search algorithm, as described by Tatusova et al., FEMS Microbiol Lett., 174:247-50 (1999), and available on the world wide web at ncbi.nlm.nih.gov/gorf/bl2.html. Preferably, the default values for all BLAST 2 search parameters are used, including matrix = BLOSUM62; open gap penalty = 1 1 , extension gap penalty =- 1 , gap x_dropoff = 50, expect = 10, wordsize = 3, and filter on. In the comparison of two amino acid sequences using the BLAST search algorithm, structural similarity is referred to as "identity." Preferably, a structurally homologous molecule is a protein that has an amino acid sequence sharing at least 65% identity with a native or recombinant amino acid sequence of hepatitis C virus polymerase (for example, SEQ ID NO: 1). More preferably, a protein that is structurally homologous to hepatitis C virus polymerase includes a contiguous stretch of at least 50 amino acids that shares at least 80% amino acid sequence identity with the analogous portion of the native or recombinant hepatitis C virus polymerase (for example, SEQ ID NO: l). Methods for generating structural information about the structurally homologous molecule or molecular complex are well-known and include, for example, molecular replacement techniques. Therefore, in another embodiment this invention provides a method of utilizing molecular replacement to obtain structural information about a molecule or molecular complex whose structure is unknown including the steps of: (a) crystallizing the molecule or molecular complex of unknown structure; (b) generating an x-ray diffraction pattern from said crystallized molecule or molecular complex; and (c) applying at least a portion of the structure coordinates set forth in Table 1 to the x-ray diffraction pattern to generate a three-dimensional electron density map of the molecule or molecular complex whose structure is unknown. By using molecular replacement, all or part of the structure coordinates of hepatitis C virus polymerase or the hepatitis C virus polymerase-potential modifier complex as provided by this invention can be used to determine the structure of a crystallized molecule or molecular complex whose structure is unknown more quickly and efficiently than attempting to determine such information ab initio. Molecular replacement provides an accurate estimation of the phases for an unknown structure. Phases are a factor in equations used to solve crystal structures that cannot be determined directly. Obtaining accurate values for the phases, by methods other than molecular replacement, is a time-consuming process that involves iterative cycles of approximations and refinements and greatly hinders the solution of crystal structures. However, when the crystal structure of a protein containing at least a structurally homologous portion has been solved, the phases from the known structure provide a satisfactory estimate of the phases for the unknown structure. Thus, this method involves generating a preliminary model of a molecule or molecular complex whose structure coordinates are unknown, by orienting and positioning the relevant portion of hepatitis C virus polymerase or the hepatitis C virus polymerase/modifier complex within the unit cell of the crystal of the unknown molecule or molecular complex so as best to account for the observed x-ray diffraction pattern of the crystal of the molecule or molecular complex whose structure is unknown. Phases can then be calculated from this model and combined with the observed x-ray diffraction pattern amplitudes to generate an electron density map of the structure whose coordinates are unknown. This, in turn, can be subjected to any well-known model building and structure refinement techniques to provide a final, accurate structure of the unknown crystallized molecule or molecular complex (Lattman, Meth. Enzymol, 1 15, 55-77 (1985); M.G. Rossman, ed., "The Molecular Replacement Method," Int. Sci. Rev. Ser., No. 13, Gordon & Breach, New York (1972)). Structural information about a portion of any crystallized molecule or molecular complex that is sufficiently structurally homologous to a portion of hepatitis C virus polymerase can be resolved by this method. In addition to a molecule that shares one or more structural features with hepatitis C virus polymerase as described above, a molecule that has similar bioactivity, such as the same catalytic activity, substrate specificity, or potential modifier binding activity as hepatitis C virus polymerase, may also be sufficiently structurally homologous to hepatitis C virus polymerase to permit use of the structure coordinates of hepatitis C virus polymerase to solve its crystal structure. In a preferred embodiment, the method of molecular replacement is utilized to obtain structural information about a molecule or molecular complex, wherein the molecule or molecular complex includes a hepatitis C virus polymerase subunit or homolog. A "subunit" of hepatitis C virus polymerase is a hepatitis C virus polymerase molecule that has been truncated at the N-terminus or the C-terminus, or both. In the context of the present invention, a "homolog" of hepatitis C virus polymerase is a protein that contains one or more amino acid substitutions, deletions, additions, or rearrangements with respect to the amino acid sequence of hepatitis C virus polymerase (SEQ ID NO: l), but that, when folded into its native conformation, exhibits or is reasonably expected to exhibit at least a portion of the tertiary (three-dimensional) structure of hepatitis C virus polymerase. For example, structurally homologous molecules can contain deletions or additions of one or more contiguous or noncontiguous amino acids, such as a loop or a domain. Structurally homologous molecules also include "modified" hepatitis C virus polymerase molecules that have been chemically or enzymatically derivatized at one or more constituent amino acid, including side chain modifications, backbone modifications, and N- and C- terminal modifications including acetylation, hydroxylation, methylation, amidation, and the attachment of carbohydrate or lipid moieties, cofactors, and the like. A heavy atom derivative of hepatitis C virus polymerase is also included as a hepatitis C virus polymerase homolog. The term "heavy atom derivative" refers to derivatives of hepatitis C virus polymerase produced by chemically modifying a crystal of hepatitis C virus polymerase. In practice, a crystal is soaked in a solution containing heavy metal atom salts, or organometallic compounds, e.g., lead chloride, gold thiomalate, thiomersal or uranyl acetate, which can diffuse through the crystal and bind to the surface of the protein. The location(s) of the bound heavy metal atom(s) can be determined by x-ray diffraction analysis of the soaked crystal. This information, in turn, is used to generate the phase information used to construct three-dimensional structure of the protein (T.L. Blundell and N.L. Johnson, Protein Crystallography, Academic Press ( 1976)). Because hepatitis C virus polymerase can crystallize in more than one crystal form, the structure coordinates of hepatitis C virus polymerase as provided by this invention are particularly useful in solving the structure of other crystal forms of hepatitis C virus polymerase or hepatitis C virus polymerase complexes. The structure coordinates of hepatitis C virus polymerase as provided by this invention are particularly useful in solving the structure of hepatitis C virus polymerase mutants. Mutants may be prepared, for example, by expression of hepatitis C virus polymerase cDNA previously altered in its coding sequence by oligonucleotide-directed mutagenesis. Mutants may also be generated by site- specific incoφoration of unnatural amino acids into hepatitis C virus polymerase proteins using the general biosynthetic method of Noren et al., Science, 244:182- 88 (1989). In this method, the codon encoding the amino acid of interest in wild- type hepatitis C virus polymerase is replaced by a "blank" nonsense codon, TAG, using oligonucleotide-directed mutagenesis. A suppressor tRNA directed against this codon is then chemically aminoacylated in vitro with the desired unnatural amino acid. The aminoacylated tRNA is then added to an in vitro translation system to yield a mutant hepatitis C virus polymerase with the site-specific incoφorated unnatural amino acid. Selenocysteine or selenomethionine may be incoφorated into wild-type or mutant hepatitis C virus polymerase by expression of hepatitis C virus polymerase-encoding cDNAs in auxotrophic E. coli strains (Hendrickson et al., EMBO J., 9: 1665-72 (1990)). In this method, the wild-type or mutagenized hepatitis C virus polymerase cDNA may be expressed in a host organism on a growth medium depleted of either natural cysteine or methionine (or both) but enriched in selenocysteine or selenomethionine (or both). Alternatively, selenomethionine analogues may be prepared by down regulation methionine biosynthesis. (Benson et al., Nat. Struct. Biol, 2:644-53 (1995); Van Duyne et al., J. Mol. Biol, 229: 105-24 (1993)). The structure coordinates of hepatitis C virus polymerase listed in Table 1 are also particularly useful to solve the structure of crystals of hepatitis C virus polymerase, hepatitis C virus polymerase mutants or hepatitis C virus polymerase homologs co-complexed with a variety of chemical entities. This approach enables the determination of the optimal sites for interaction between chemical entities, including candidate hepatitis C virus polymerase modifiers and hepatitis C virus polymerase. Potential sites for modification within the various binding sites of the molecule can also be identified. This information provides an additional tool for determining the most efficient binding interactions, for example, increased hydrophobic interactions, between hepatitis C virus polymerase and a chemical entity. For example, high resolution x-ray diffraction data collected from crystals exposed to different types of solvent allows the determination of where each type of solvent molecule resides. Small molecules that bind tightly to those sites can then be designed and synthesized and tested for their potential hepatitis C virus polymerase inhibition activity. All of the complexes referred to above may be studied using well-known x-ray diffraction techniques and may be refined versus 1.5-3.5 A resolution x-ray data to an R value of about 0.30 or less using computer software, such as X- PLOR (Yale University, 1992, distributed by Molecular Simulations, Inc.; see, e.g., Blundell & Johnson, supra; Meth. Enzymol, Vol. 1 14 & 1 15, H.W.

Wyckoff et al., eds., Academic Press (1985)). This information may thus be used to optimize known hepatitis C virus polymerase modifiers, and more importantly, to design new hepatitis C virus polymerase modifiers. The invention also includes the unique three-dimensional configuration defined by a set of points defined by the structure coordinates for a molecule or molecular complex structurally homologous to hepatitis C virus polymerase as determined using the method of the present invention, structurally equivalent configurations, and magnetic storage media including such set of structure coordinates. Further, the invention includes structurally homologous molecules as identified using the method of the invention.

HOMOLOGY MODELING Using homology modeling, a computer model of a hepatitis C virus polymerase homolog can be built or refined without crystallizing the homolog. First, a preliminary model of the hepatitis C virus polymerase homolog is created by sequence alignment with hepatitis C virus polymerase, secondary structure prediction, the screening of structural libraries, or any combination of those techniques. Computational software may be used to carry out the sequence alignments and the secondary structure predictions. Structural incoherences, e.g., structural fragments around insertions and deletions, can be modeled by screening a structural library for peptides of the desired length and with a suitable conformation. For prediction of the side chain conformation, a side chain rotamer library may be employed. If the hepatitis C virus polymerase homolog has been crystallized, the final homology model can be used to solve the crystal structure of the homolog by molecular replacement, as described above. Next, the preliminary model is subjected to energy minimization to yield an energy minimized model. The energy minimized model may contain regions where stereochemistry restraints are violated, in which case such regions are remodeled to obtain a final homology model. The homology model is positioned according to the results of molecular replacement, and subjected to further refinement including molecular dynamics calculations.

RATIONAL DRUG DESIGN Computational techniques can be used to screen, identify, select and/or design chemical entities capable of associating with hepatitis C virus polymerase or structurally homologous molecules. Knowledge of the structure coordinates for hepatitis C virus polymerase permits the design and/or identification of synthetic compounds and/or other molecules which have a shape complementary to the conformation of the hepatitis C virus polymerase binding site. In particular, computational techniques can be used to identify or design chemical entities, such as modifiers, agonists and antagonists, that associate with a hepatitis C virus polymerase binding site or an hepatitis C virus polymerase-like binding site. Potential modifiers may bind to or interfere with all or a portion of a binding site of hepatitis C virus polymerase, and can be competitive, non- competitive, or uncompetitive inhibitors; or interfere with dimerization by binding at the interface between the two monomers. Once identified and screened for biological activity, these inhibitors/agonists/antagonists may be used therapeutically or prophylactically to block hepatitis C virus polymerase activity and, thus, prevent the onset and/or further progression of hepatitis infection. Structure-activity data for analogues of potential modifiers that bind to or interfere with hepatitis C virus polymerase or hepatitis C virus polymerase-like binding sites can also be obtained computationally. The term "chemical entity," as used herein, refers to chemical compounds, complexes of two or more chemical compounds, and fragments of such compounds or complexes. Chemical entities that are determined to associate with hepatitis C virus polymerase are potential drug candidates. Data stored in a machine-readable storage medium that displays a graphical three- dimensional representation of the structure of hepatitis C virus polymerase or a structurally homologous molecule, as identified herein, or portions thereof may thus be advantageously used for drug discovery. The structure coordinates of the chemical entity are used to generate a three-dimensional image that can be computationally fit to the three-dimensional image of hepatitis C virus polymerase or a structurally homologous molecule. The three-dimensional molecular structure encoded by the data in the data storage medium can then be computationally evaluated for its ability to associate with chemical entities. When the molecular structures encoded by the data is displayed in a graphical three-dimensional representation on a computer screen, the protein structure can also be visually inspected for potential association with chemical entities. One embodiment of the method of drug design involves evaluating the potential association of a known chemical entity with hepatitis C virus polymerase or a structurally homologous molecule, particularly with a hepatitis C virus polymerase binding site or hepatitis C virus polymerase-like binding site. The method of drug design thus includes computationally evaluating the potential of a selected chemical entity to associate with any of the molecules or molecular complexes set forth above. This method includes the steps of: (a) employing computational means to perform a fitting operation between the selected chemical entity and a binding site or a site nearby the binding site of the molecule or molecular complex; and (b) analyzing the results of said fitting operation to quantify the association between the chemical entity and the binding site. In another embodiment, the method of drug design involves computer- assisted design of chemical entities that associate with hepatitis C virus polymerase, its homologs, or portions thereof. Chemical entities can be designed in a step-wise fashion, one fragment at a time, or may be designed as a whole or "de novo." To be a viable drug candidate, the chemical entity identified or designed according to the method must be capable of structurally associating with at least part of a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding sites, and must be able, sterically and energetically, to assume a conformation that allows it to associate with the hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site. Non-covalent molecular interactions important in this association include hydrogen bonding, van der Waals interactions, hydrophobic interactions, and electrostatic interactions.

Conformational considerations include the overall three-dimensional structure and orientation of the chemical entity in relation to the binding site, and the spacing between various functional groups of an entity that directly interact with the hepatitis C virus polymerase-like binding site or homologs thereof. Optionally, the potential binding of a chemical entity to a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site is analyzed using computer modeling techniques prior to the actual synthesis and testing of the chemical entity. If these computational experiments suggest insufficient interaction and association between it and the hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site, testing of the entity is obviated. However, if computer modeling indicates a strong interaction, the molecule may then be synthesized and tested for its ability to bind to or interfere with a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site. Binding assays to determine if a compound (e.g., an inhibitor) actually interferes with hepatitis C virus polymerase can also be performed and are well known in the art. Binding assays may employ kinetic or thermodynamic methodology using a wide variety of techniques including, but not limited to, microcalorimetry, circular dichroism, capillary zone electrophoresis, nuclear magnetic resonance spectroscopy, fluorescence spectroscopy, and combinations thereof. One method for determining whether a modifier binds to a protein is isothermal denaturation. This method includes taking a sample of a protein (in the presence or absence of substrates) at a fixed elevated temperature where denaturation of the protein occurs in a given time frame, adding the chemical entity to the protein, and monitoring the rate of denaturation. If the chemical entity does bind to the protein, it is expected that the rate of denaturation would be slower in the presence of the chemical entity than in the absence of the chemical entity. For example, this method has been described in Epps et al., Anal. Biochem., 292:40-50 (2001). One skilled in the art may use one of several methods to screen chemical entities or fragments for their ability to associate with a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site. This process may begin by visual inspection of, for example, a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site on the computer screen based on the hepatitis C virus polymerase structure coordinates listed in Table 1 or other coordinates which define a similar shape generated from the machine-readable storage medium. Selected fragments or chemical entities may then be positioned in a variety of orientations, or docked, within the binding site. Docking may be accomplished using software such as QUANTA and SYBYL, followed by energy minimization and molecular dynamics with standard molecular mechanics forcefields, such as CHARMM and AMBER. Specialized computer programs may also assist in the process of selecting fragments or chemical entities. Examples include GRID (Goodford, J. Med. Chem., 28:849-57 (1985); available from Oxford University, Oxford, UK);

MCSS (Miranker et al., Proteins: Struct. Fund. Gen., 11:29-34 (1991); available from Molecular Simulations, San Diego, CA); AUTODOCK (Goodsell et al., Proteins: Struct. Fund. Genet., 8: 195-202 (1990); available from Scripps Research Institute, La Jolla, CA); and DOCK (Kuntz et al., J. Mol. Biol, 161 :269-88 (1982); available from University of California, San Francisco, CA). Once suitable chemical entities or fragments have been selected, they can be assembled into a single compound or complex. Assembly may be preceded by visual inspection of the relationship of the fragments to each other on the three-dimensional image displayed on a computer screen in relation to the structure coordinates of hepatitis C virus polymerase. This would be followed by manual model building using software such as QUANTA or SYBYL (Tripos Associates, St. Louis, MO). Useful programs to aid one of skill in the art in connecting the individual chemical entities or fragments include, without limitation, CAVEAT (P.A. Bartlett et al., in "Molecular Recognition in Chemical and Biological Problems," Special Publ., Royal Chem. Soc, 78: 182-96 (1989); Lauri et al., J. Comput. Aided Mol. Des., 8:51-66 (1994); available from the University of California, Berkeley, CA); 3D database systems such as ISIS (available from MDL Information Systems, San Leandro, CA; reviewed in Martin, J. Med. Chem., 35:2145-54 (1992)); and HOOK (Eisen et al., Proteins: Struc, Funct., Genet., 19: 199-221 (1994); available from Molecular Simulations, San Diego, CA). Hepatitis C virus polymerase binding compounds may be designed "de novo" using either an empty binding site or optionally including some portion(s) of a known modifier(s). There are many de novo potential modifier design methods including, without limitation, LUDI (Bohm, J. Comp. Aid. Molec. Design., 6:61-78 (1992); available from Molecular Simulations Inc., San Diego, CA); LEGEND (Nishibata et al., Tetrahedron, 47:8985 (1991); available from Molecular Simulations Inc., San Diego, CA); LeapFrog (available from Tripos Associates, St. Louis, MO); and SPROUT (Gillet et al., J. Comput. Aided Mol. Design, 7: 127-53 (1993); available from the University of Leeds, UK). Once a compound has been designed or selected by the above methods, the efficiency with which that entity may bind to or interfere with a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site may be tested and optimized by computational evaluation. For example, an effective hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site modifier must preferably demonstrate a relatively small difference in energy between its bound and free states (i.e., a small deformation energy of binding). Thus, the most efficient hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site modifiers should preferably be designed with a deformation energy of binding of at most about 10 kcal/mole; more preferably, at most 7 kcal/mole. Hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site modifiers may interact with the binding site in more than one conformation that is similar in overall binding energy. In those cases, the deformation energy of binding is taken to be the difference between the energy of the free entity and the average energy of the conformations observed when the modifier binds to the protein. An entity designed or selected as binding to or interfering with a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site may be further computationally optimized so that in its bound state it would preferably lack repulsive electrostatic interaction with the target enzyme and with the surrounding water molecules. Such non-complementary electrostatic interactions include repulsive charge-charge, dipole-dipole, and charge-dipole interactions. Specific computer software is available in the art to evaluate compound deformation energy and electrostatic interactions. Examples of programs designed for such uses include: Gaussian 94, revision C (M.J. Frisch, Gaussian, Inc., Pittsburgh, PA (1995)); AMBER, version 4.1 (P.A. Kollman, University of California at San Francisco, (1995)); QUANT A CHARMM (Molecular Simulations, Inc., San Diego, CA (1995)); Insight II/Discover (Molecular

Simulations, Inc., San Diego, CA (1995)); DelPhi (Molecular Simulations, Inc., San Diego, CA (1995)); and AMSOL (Quantum Chemistry Program Exchange, Indiana University). These programs may be implemented, for instance, using a Silicon Graphics workstation such as an Indigo with "IMPACT" graphics. Other hardware systems and software packages will be known to those skilled in the art. Another approach encompassed by this invention is the computational screening of small molecule databases for chemical entities or compounds that can bind in whole, or in part, to a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site. In this screening, the quality of fit of such entities to the binding site may be judged either by shape complementarity or by estimated interaction energy (Meng et al., J. Comp. Chem., 13:505-24 (1992)). This invention also enables the development of chemical entities that can isomerize to short-lived reaction intermediates in the chemical reaction of a substrate or other compound that interferes with or with hepatitis C virus polymerase. Time-dependent analysis of structural changes in hepatitis C virus polymerase during its interaction with other molecules is carried out. The reaction intermediates of hepatitis C virus polymerase can also be deduced from the reaction product in co-complex with hepatitis C virus polymerase. Such information is useful to design improved analogues of known hepatitis C virus polymerase modifiers or to design novel classes of potential modifiers based on the reaction intermediates of the hepatitis C virus polymerase and modifier co- complex. This provides a novel route for designing hepatitis C virus polymerase modifiers with both high specificity and stability. Yet another approach to rational drug design involves probing the hepatitis C virus polymerase crystal of the invention with molecules including a variety of different functional groups to determine optimal sites for interaction between candidate hepatitis C virus polymerase modifiers and the protein. For example, high resolution x-ray diffraction data collected from crystals soaked in or co-crystallized with other molecules allows the determination of where each type of solvent molecule sticks. Molecules that bind tightly to those sites can then be further modified and synthesized and tested for their hepatitis C virus polymerase modifier activity (Travis, Science, 262:1374 (1993)). In a related approach, iterative drug design is used to identify modifiers of hepatitis C virus polymerase. Iterative drug design is a method for optimizing associations between a protein and a compound by determining and evaluating the three-dimensional structures of successive sets of protein/compound complexes. In iterative drag design, crystals of a series of protein/compound complexes are obtained and then the three-dimensional structures of each complex is solved. Such an approach provides insight into the association between the proteins and compounds of each complex. This is accomplished by selecting compounds with inhibitory activity, obtaining crystals of this new protein/compound complex, solving the three-dimensional structure of the complex, and comparing the associations between the new protein/compound complex and previously solved protein/compound complexes. By observing how changes in the compound affected the protein/compound associations, these associations may be optimized. A compound that is identified or designed as a result of any of these methods can be obtained (or synthesized) and tested for its biological activity, e.g., inhibition of hepatitis C virus polymerase activity. PHARMACEUTICAL COMPOSITIONS (MODIFIERS) Pharmaceutical compositions of this invention include a potential modifier of hepatitis C virus polymerase activity identified according to the invention, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, adjuvant, or vehicle. The term "pharmaceutically acceptable carrier" refers to a carrier(s) that is "acceptable" in the sense of being compatible with the other ingredients of a composition and not deleterious to the recipient thereof. Optionally, the pH of the formulation is adjusted with pharmaceutically acceptable acids, bases, or buffers to enhance the stability of the formulated compound or its delivery form. Methods of making and using such pharmaceutical compositions are also included in the invention. The pharmaceutical compositions of the invention can be administered orally, parenterally, by inhalation spray, topically, rectally, nasally, buccally, vaginally, or via an implanted reservoir. Oral administration or administration by injection is preferred. The term parenteral as used herein includes subcutaneous, intracutaneous, intravenous, intramuscular, intraarticular, intrasynovial, intrasternal, intrathecal, intralesional, and intracranial injection or infusion techniques. Dosage levels of about 0.01 to about 100 mg/kg body weight per day, preferably of about 0.5 to about 75 mg/kg body weight per day of the hepatitis C virus polymerase inhibitory compounds described herein are useful for the prevention and treatment of hepatitis C virus polymerase mediated disease. Typically, the pharmaceutical compositions of this invention will be administered about 1 to about 5 times per day or alternatively, as a continuous infusion. Such administration can be used as a chronic or acute therapy. The amount of active ingredient that may be combined with the carrier materials to produce a single dosage form will vary depending upon the host treated and the particular mode of administration. A typical preparation will contain about 5% to about 95% active compound (w/w). Preferably, such preparations contain about 20% to about 80% active compound. In order that this invention be more fully understood, the following examples are set forth. These examples are for the puφose of illustration only and are not to be construed as limiting the scope of the invention in any way.

EXAMPLES

EXAMPLE 1 : NATIVE HCV IB Jl Structure solution

EXPRESSION AND PURIFICATION A C-terminally truncated for of the HCV polymerase NS5B from the HCV Jl strain was utilized (HCV_JINS5BCΔ21) (Yamashita et al., J. Biol. Chem., 273: 15479-15486 (1998)). A similarly truncated enzyme from another viral strain has been utilized by others in structural studies (Ago et al., Structure, 7: 1417-1426 (1999); Lesburg et al., Nat. Struct. Biol, 6:937-943 (1999); and U.S. Pat. No. 6,434,489 (Lesburg et al.))., but the Jl strain polymerase sequence is different from previously used sequences in 23 amino acid substitutions. In order to enable expression of HCNj*NS5bΔ21 in insect cells, the NS5b gene from HCNj* was modified at both the 5' and 3' ends to allow directed cloning into RαmHI/EcoRI-opened pBlueBac4.5 (Invitrogen; Carlsbad, CA). At the 5' end, added sequence included the BamHI restriction site and codons for the additional Ν-terminal amino acids MASM. At the 3' end, codons for the last 21 C-terminal amino acids were replaced by sequence encoding six sequential His residues, a stop codon, and the EcoRI restriction site. Recombination of the resulting pBlueBac4.5/HCNj*ΝS5bΔ21 transfer vector with triple-cut baculoviral DNA available under the trade designation BAC-N-BLUΕ from Invitrogen (Carlsbad, CA) upon cotransfection into Sf9 insect cells yielded recombinant baculoviral clones able to express the HCVι*NS5bΔ21 polypeptide from the viral polyhedrin promoter. For expression of HCNj*NS5bΔ21 at the multi-milligram scale, an amplified stock of the recombinant baculovirus expressing HCNj-NS5bΔ21 was prepared and used to infect 40 liters of Sf21 cells at a MOI of 0.8 (cell density = 1.1 X 10⁶ cells/ml). The Sf21 cells were harvested by centrifugation at 66 hours post-infection. The cell pellets were snap frozen and stored at -70°C prior to protein purification. The baculovirus infected Sf21 cells were lysed by mechanical means, and the cell lysate was clarified by centrifugation. The clarified cell supernatant was loaded on a Ni NTA column under conditions that allowed binding of the 6-His tag of the recombinant protein. The column was washed free of non-specifically bound cellular proteins and the specifically bound NS5b was eluted with buffer containing imidazole. The column fractions containing NS5b were pooled, concentrated and run over a Superdex 75 gel filtration column. The peak containing NS5b was collected, pooled and the protein concentration was determined by measuring absorbance at 280 nm. Purified protein solution was snap frozen and stored at -70°C.

CRYSTALLIZATION PROCEDURE Crystallization began with frozen HCV NS5b protein in buffer containing 20 mM Tris pH 7.5, 20% glycerol, 500 mM NaCl, 10 mM MgCl₂, 250 mM imidazole, 0.1 mM PMSF, 2 μg/ml leupeptin, and 5 mM βME at a protein concentration of 1.9 mg/ml. The protein was thawed, exchanged into 20 mM HEPES pH 7.5, 20 mM DTT, 1 mM EDTA, 100 mM NaCl, 5% glycerol, and 10 mM MgCl , then concentrated to 20 mg/ml. Prepared protein was then aliquoted and stored at -80°C. A crystal was grown by hanging drop vapor diffusion from 13% PEG 8000, 10% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl₂, and 5 mM DTT. A single crystal measuring 2.0 x 0.16 x 0.16 mm was selected for data collection after 4 days. For low temperature data collection, crystals were slowly introduced into a cryo-solution containing 20% PEG, 20% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl₂, and 5mM DTT. Crystals were frozen and stored in liquid nitrogen.

X-RAY DIFFRACTION CHARACTERIZATION Data Collection: Diffraction data set identified as "aps256" in Table 5 was collected from this crystal at the Advanced Photon Source on IMCA beamline 17-ID using a MAR CCD detector (165 mm radius) positioned 180 mm from the goniostat center. Incident radiation with wavelength λ= 1.0000 A was used. In this configuration the detector intercepts 2.4 A data. One hundred eighty two-dimensional images (2048 x 2048 pixels) collected in 1.0° rotational increments to complete acquisition of all unique data. This crystal had cell parameters (a=b=90.11 A, c= 189.71 A; α=β=90°; γ=120°) and included more than 99% of possible data to 2.4 A resolution. A second data set (identified as "Chiron-jlcd2" in Table 5) was collected on a Rigaku R-axis IV++ image plate detector system, with a Rigaku RU-200 X-ray generator providing monochromated Cu-Kα radiation (λ=1.54 A). The detector was placed 200 mm from the sample crystal rotated in 1.0° rotational increments to complete acquisition of all unique data. This crystal had cell parameters (a=b=89.72 A, c= 189.57 A; α=β=90°; 7=120°) and included more than 92% of possible data to 1.9 A resolution. Raw images obtained from either crystal were integrated and intensities of symmetry equivalent observations scaled with the HKL-2000 program package (Otwinowski, Methods in Enzymology, 276:307-326 (1997)). Structure solution: Crystals were assigned to one of the enantiomoφhic space groups P3-21 or P3 21 based on scaling statistics and systematic absences in the diffraction data aps256. The asymmetric unit contained one polymerase molecule (V_m=3.4) (Matthews, J. Mol Biol, 33:491-497 ( 1968)). Molecular replacement was completed with the AMORE program (Navaza, Acta. Crystallogr., A50: 157- 163 ( 1994)) of the CCP4 package (Collaborative Computational Project Number 4, Ada Crystallogr., D50:760-763 (1994)) using a literature model (PDB-ID lquv) resulting from a structure determination of a similar CΔ21 NS5b construct derived from a different viral strain (Ago et al., Structure, 7: 1417-1426 (1999)), and diffraction data from set aps256. One prominent peak (18σ) was identified from the rotational search. Translation searches under the constraints of the two possible space groups resulted in a clear preference of P3₂21 as the correct choice. The best translation solution gave correlation 0.59 and R-value 0.38 for data in the range 6-2.5A resolution. (The best solution for P3-21 had correlation and R-values of 0.23 and 0.50, respectively). This solution was further supported by parallel calculations with a different literature model (PDB-ID lcsj) (Bressanelli et al., Proc. Nat. Acad. Sci. (USA), 96:13034-13039 (1999)). An indistinguishable solution was obtained, but the fit was not as good (C=0.51 , R=0.42). The solution was examined for bad intermolecular contacts and there were none that could not be resolved by reinterpretation of local electron density. Refinement was concluded with CNX (Accelrys; San Diego, CA), using only positional and B-value refinement methods (not more torsional dynamics). Additional solvent molecules were added manually upon map inspection. The final model includes 51 1 water molecules, one heavier anion (modeled as chloride) and 6 bound glycerol molecules. Final real-space bulk solvent parameters (Jiang et al., J. Mol Biol, 243: 100-1 15 (1994)) were: mask density level 0.3731 e/A³, B-factor 58.96 A². Refinement statistics and final model characteristics are given in Table 9.

TABLE 9: Refinement statistics, Refinement vs Chiron-j lcd2 Final Reflection agreement Resolution of data used 30.0 - 1.9 A (lobs > 0) Final R-value (60,365 reflections) 0.198 R_free (3,041 Cross-validation reflections) 0.221 EXAMPLE 2: COMPLEX WITH PHA-562769 Crystal preparation. Crystals were prepared from a protein solution as described in Example 1 by hanging drop vapor diffusion from 3% PEG 8000, 10% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl₂, and 5 mM DTT. A single crystal measuring 0.46 x 0.21 x 0.19 mm was selected for data collected after 7 days. Soaking in inhibitor PHA-562769. Solid PHA-562769 inhibitor was dissolved in DMSO to make 100 mM stock solution. Inhibitor stock solutions were added to both soaking and cryo-protective solutions to bring the concentration of inhibitor to 2 mM throughout soaking and cryoprotection. A soaking solution was prepared using 5% PEG8000, 10% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl₂, 5 mM DTT and 2 mM PHA-562769. The soaking solution with compound was gradually added directly to the drops containing native crystals over approximately 1 hour. Soaking solution was added in the following volumes with approx 10 minutes between additions: O.lul, 0.25ul,

0.5ul, l.Oul, 2.0ul, -2ul +2ul. The crystal was then slowly introduced into a cryo- solution containing 5% PEG 8000, 25% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl₂, 5 mM DTT and 2 mM PHA-5627695. The transfers to cryo solutions were done using the same additions as described for the soaking solution, with one added step. Before plunging the crystals in liquid nitrogen, the crystals were dipped in 100% cryo solution for 30 seconds. The total soaking time starts at the beginning of the transfers and also includes the time during cryo solution transfers. The crystals were soaked for 8 hours. Crystals were cryo-cooled in liquid nitrogen and stored. Data Collection. A diffraction data set identified as "aps521" was collected from this crystal at the Advanced Photon Source on EVICA beamline 17-BM using a MAR CCD detector (165 mm radius) positioned 200 mm from the goniostat center. Incident radiation with wavelength λ=l .0000 A was used.

In this configuration the detector intercepts 2.6 A data. One hundred twenty two- dimensional images (2048 x 2048 pixels) collected in 1.0° rotational increments to acquire raw diffraction data. Raw images were integrated and intensities of symmetry equivalent observations scaled with the HKL-2000 program package. This crystal had cell parameters (a=b=91.26 A, c= 188.53 A; α=β=90°; γ=120°) and included more than 97% of possible data to 2.6 A resolution. Structure phasing and refinement. The structures of HCVpol/PHA- 562769 complex was phased by molecule replacement using the software as described above, with the native enzyme atomic structure as the search model. Difference electron density (F₀-F_c) and (2 F₀-F_c) computed with molecular replacement model phases were examined to identify inhibitor binding positions. Complex model atomic coordinates were refined with CNX using the same procedure outlined in Example 1. Final summary statistics are given in Table 10. Residues neighboring the PHA-562769 binding site are listed in Tables 1 1- 13.

TABLE 10: Refinement statistics, Refinement vs aps521 Final Reflection agreement Resolution of data used 30.0 - 2.6 (lobs > 0) Final R-value (26,717 reflections) 0.224 Rfree ( 1 ,353 cross-validation reflections) 0.266

TABLE 11: Residues with 4A of the PHA-562769 Binding Site.

TABLE 12: Residues with 7A of the PHA-562769 Binding Site.

TABLE 13: Residues with 10A of the PHA-562769 Binding Site.

EXAMPLE 3: Complex with PHA-729145 Crystal preparation. Crystals were prepared from a protein solution as described in Example 1 by hanging drop vapor diffusion from 3% PEG 8000, 10% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl₂, and 5 mM DTT. A single crystal measuring 0.46 x 0.21 x 0.19 mm was selected for data collected after 10 days. Soaking in inhibitor PHA-729145. Solid PHA-729145 inhibitor was dissolved in DMSO to make 100 mM stock solution. Inhibitor stock solutions were added to both soaking and cryoprotective solutions to bring the concentration of inhibitor to 2 mM throughout soaking and cryoprotection. A soaking solution was prepared using 5% PEG8000, 10% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl₂, 5 mM DTT, and 2 mM PHA-729145. The soaking solution with compound was gradually added directly to the drops containing native crystals over approximately 1 hour. Soaking solution was added in the following volumes with approx 10 minutes between additions: O.lul, 0.25ul, 0.5ul, l.Oul, 2.0ul, -2ul +2ul. The crystal was then slowly introduced into a cryo- solution containing 5% PEG 8000, 30% glycerol, 50 mM Tris pH=8.5, 10 mM MgCl₂, 5 mM DTT, and 2 mM PHA-729145. The transfers to cryo solutions were done using the same additions as described for the soaking solution, with one added step. Before plunging the crystals in liquid nitrogen, the crystals were dipped in 100% cryo solution for 30 seconds. The total soaking time starts at the beginning of the transfers and also includes the time during cryo solution transfers. The crystals were soaked for 8 hours. Crystals were cryo-cooled in liquid nitrogen and stored prior to data collection. Data Collection. A diffraction data set identified as "aps521" was collected from this crystal at the Advanced Photon Source on EV1CA beamline 17-ID using an ADSC Quantum 210 multi-element CCD detector (210 mm radius) positioned 200 mm from the goniostat center. Incident radiation with wavelength λ=l .0000 A was used. One hundred twenty two-dimensional images (2048 x 2048 pixels) collected in 1.0° rotational increments to acquire raw diffraction data. Raw images were integrated and intensities of symmetry equivalent observations scaled with the HKL-2000 program package. This crystal had cell parameters (a=b=90.88 A, c= 188.52 A; =β=90°; γ=120°) and included more than 98% of possible data to 2.5 A resolution. Structure phasing and refinement. The structures of HCVpol/PHA- 729145 complex was phased by molecule replacement using the software as described above, with the PHA-562769 complex model atomic coordinates with inhibitor removed as the search model. Difference electron density (F₀-F_c) and (2F₀-F_C) computed with molecular replacement model phases were examined to identify inhibitor binding positions. Complex model atomic coordinates were refined with CNX using the same procedure outlined in Example 1. Final summary statistics are given in Table 14. Residues neighboring the PHA-729145 binding site are listed in Tables 15-17.

TABLE 14: Refinement statistics Refinement vs aps954 Final Reflection agreement Resolution of data used 30.0 - 2.5

Final R-value (28,684 reflections) 0.240 Rf_ree (1,521 cross-validation reflections) 0.303

TABLE 15: Residues with 4A of the PHA-729145 Binding Site.

TABLE 16: Residues with 7A of the PHA-729145 Binding Site.

TABLE 17: Residues with 10A of the PHA-729145 Binding Site.

The complete disclosure of all patents, patent applications including provisional applications, and publications, and electronically available material (e.g., GenBank amino acid and nucleotide sequence submissions; and protein data bank (pdb) submissions) cited herein are incoφorated by reference. The foregoing detailed description and examples have been given for clarity of understanding only. No unnecessary limitations are to be understood therefrom. The invention is not limited to the exact details shown and described; many variations will be apparent to one skilled in the art and are intended to be included within the invention defined by the claims.

SEQUENCE LISTING FREE TEXT SEQ ID NO: 1 residues for hepatitis C virus polymerase is from HCV genotype IB isolate Jl (C-delta-21)

SEQ ID NO:2 C-terminal sequence of the full-length J l protein TABLE 1 : Structure Coordinates of 'Native Hepatitis C Virus Polymerase 1 CB MET A 0 -9, .345 32. .998 23. .134 1. .00 49 .59 2 CG MET A 0 -10, .820 32. .623 23 .131 1. .00 55 .82 3 SD MET A 0 -11. .579 32, .622 24, .773 1. .00 60. .58 4 CE MET A 0 -11, .474 30, .865 25, .209 1. .00 59, .34 5 C MET A 0 -7, .563 34, .628 23, .704 1. .00 42, .69 6 O MET A 0 -6, .708 34. .254 22, .897 1. .00 43, .07 7 N MET A 0 -9, .485 35, .311 22, .239 1. .00 45, .56 8 CA MET A 0 -9, .050 34, .478 23, .398 1. .00 45, .35 9 N SER A 1 -7, .262 35, .166 24, .881 1. .00 38, .08 10 CA SER A 1 -5, .884 35, .336 25, .316 1. .00 31, .91 11 CB SER A 1 -5, .401 36, .762 25 .011 1. .00 31, .07 12 OG SER A 1 -6, .175 37. .743 25, .680 1, .00 29, .37 13 C SER A 1 -5. .785 35. .040 26, .817 1. .00 29, .95 14 O SER A 1 -6, .649 35, .449 27 .601 1. .00 28 .29 15 N MET A 2 -4, .752 34, .300 27 .209 1. .00 26 .93 16 CA MET A 2 -4 , .536 33, .968 28 .613 1, .00 25 .90 17 CB MET A 2 -3, .570 32, .790 28 .749 1. .00 28 .13 18 CG MET A 2 -4. .102 31, .464 28 .219 1. .00 33, .40 19 SD MET A 2 -5, .553 30, .889 29 .142 1. .00 35, .73 20 CE MET A 2 -4 , .822 30, .555 30, .720 1, .00 31, .64 21 C MET A 2 -3, .943 35, .178 29 .323 1. .00 24, .96 22 O MET A 2 -3, .100 35. .881 28, .762 1. .00 24 , .04 23 N SER A ^■ 3 -4. .391 35. .423 30, .550 1. .00 21, .91 24 CA SER A 3 -3, .881 36. .540 31, .330 1. .00 21. .94 25 CB SER A 3 -4. .651 36. .661 32, .646 1. .00 22. .25 26 OG SER A 3 -4. .699 35. .413 33, .312 1. .00 21. .85 27 C SER A 3 -2. .394 36. .327 31, .616 1. .00 20. .56 28 O SER A 3 -1, .624 37, .281 31 .615 1, .00 21, .73 29 N TYR A 4 -2, .007 35, .070 31, .842 1. .00 21, .15 30 CA TYR A 4 -0, .614 34. .705 32, .125 1. .00 21, .09 31 CB TYR A 4 -0. .322 34. .655 33, .637 1. .00 21, .89 32 CG TYR A 4 -0. .499 35. .925 34 , .423 1. .00 23, .52 33 CDl TYR A 4 -1. .701 36. .202 35, .080 1. .00 20. .13 34 CE1 TYR A 4 -1. .852 37. .358 35, .838 1. .00 22. .03 35 CD2 TYR A 4 0. .547 36. .837 34. .542 1. .00 21. .46 36 CE2 TYR A 4 0. .407 37. .997 35. .297 1. .00 22. .86 CZ TYR A 4 -0..789 38..251 35..941 1.,00 21,.73

OH TYR A 4 -0. ,925 39. .403 36. .681 1. ,00 24. .65

C TYR A 4 -0. .244 33. .313 31. .638 1. ,00 24. .18

0 TYR A 4 -1. .099 32. .425 31. .532 1. .00 21, .94

N THR A 5 1. .047 33. .132 31. .357 1. .00 22. .84

CA THR A 5 1. .587 31. .819 31. .034 1. .00 20. .77

CB THR A 5 2. .176 31. .692 29. .591 1. .00 23, .44

OG1 THR A 5 3. .272 32. .601 29. .416 1. .00 22, .81

CG2 THR A 5 1. .092 31, .951 28. .539 1. .00 21, .14

C THR A 5 2. .708 31, .715 32. .076 1. .00 21, .70

0 THR A 5 3. .246 32, .741 32. .529 1. .00 19, .62

N TRP A 6 3. .048 30, .499 32. .484 1. .00 19, .98

CA TRP A 6 4. .089 30. .321 33, .491 1. .00 22, .62

CB TRP A 6 3, .481 29. .907 34, .833 1. .00 21, .77

CG TRP A 6 2. .364 30, .794 35, .296 1. .00 22, .15

CD2 TRP A 6 2, .492 32, .011 36, .032 1. .00 22 .11

CE2 TRP A 6 1. .183 32, .507 36, .253 1. .00 22 .28

CE3 TRP A 6 3. .585 32, .735 36 .532 1. .00 21 .83

CDl TRP A 6 1. .021 30, .602 35, .097 1. .00 22 .14

NE1 TRP A 6 0. .307 31 .628 35 .672 1. .00 21 .50

CZ2 TRP A 6 0, .941 33, .692 36 .951 1. .00 20 .12

CZ3 TRP A 6 3. .343 33, .914 37 .227 1. .00 21 .86

CH2 TRP A 6 2, .027 34 .380 37 .429 1. .00 23 .46

C TRP A 6 5. .086 29 .268 33 .061 1. .00 23 .66

0 TRP A 6 4. .738 28 .331 32 .347 1. .00 24 .94

N THR A 7 6. .322 29 .421 33 .522 1. .00 26 .09

CA THR A 7 7. .397 28, .495 33 .181 1. .00 26 .55

CB THR A 7 8, .756 29 .210 33 .154 1. .00 26 .12

OG1 THR A 7 9. .071 29 .660 34 .477 1. .00 22 .13

CG2 THR A 7 8, .718 30 .403 32 .207 1. .00 24 .64

C THR A 7 7. .518 27, .373 34 .196 1. .00 27 .57

0 THR A 7 8, .049 26 .307 33 .887 1. .00 28 .80

N GLY A 8 7. .034 27 .615 35 .409 1. .00 28 .02

CA GLY A 8 7. .147 26 .609 36 .448 1. .00 27 .82

C GLY A 8 8. .103 27 .085 37 .526 1. .00 28 .39

0 GLY A 8 8. .156 26 .519 38 .616 1. .00 30 .32

N ALA A 9 8. .876 28 .123 37 .224 1. .00 28 .26 74 CA ALA A 9 9,.796 28,.670 38..214 1..00 28..76 75 CB ALA A 9 10, .649 29, .772 37. .603 1. .00 27. .78 76 C ALA A 9 8, .917 29. .234 39. .326 1. ,00 29. .57 77 0 ALA A 9 7 , .825 29. .738 39. .066 1. .00 28. .80 78 N LEU A 10 9, .390 29. .155 40. .562 1. ,00 29. .33 79 CA LEU A 10 8, .605 29. .639 41. .687 1. .00 29. .70 80 CB LEU A 10 9, .062 28, .953 42. .981 1. ,00 30. .49 81 CG LEU A 10 9 .159 27 .425 42, .964 1. .00 32, .41 82 CDl LEU A 10 9 .723 26 .940 44, .290 1. .00 34, .11 83 CD2 LEU A 10 7, .788 26 .819 42, .701 1. .00 33, .45 84 C LEU A 10 8. .680 31 .141 41. .884 1. .00 29, .11 85 0 LEU A 10 9 .642 31 .796 41. .475 1. .00 29, .28 86 N ILE A 11 7, .637 31 .692 42 .493 1. .00 28, .35 87 CA ILE A 11 7. .638 33 .105 42 .812 1. .00 28, .35 88 CB ILE A 11 6 .207 33 .661 42 .983 1. .00 27, .56 89 CG2 ILE A 11 6 .268 35 .068 43 .584 1. .00 24, .69 90 CGI ILE A 11 5 .496 33 .650 41 .620 1. .00 25, .97 91 CDl ILE A 11 4 .095 34 .266 41 .612 1, .00 25 .11 92 C ILE A 11 8, .371 33 .062 44 .144 1. .00 29, .49 93 0 ILE A 11 7 .888 32 .477 45 .112 1. .00 29. .18 94 N THR A 12 9 .548 33 .673 44 .177 1. .00 30. .02 95 CA THR A 12 10 .395 33 .650 45 .357 1. .00 30. .24 96 CB THR A 12 11 .834 33 .318 44 .941 1. .00 30. .83 97 OG1 THR A 12 12 .246 34 .239 43, .924 1. .00 28. .72 98 CG2 THR A 12 11 .919 31 .900 44 , .390 1, .00 29. .41 99 C THR A 12 10 .434 34, .916 46, .204 1. .00 31, .01

100 0 THR A 12 10 .217 36, .019 45, .715 1. .00 28, .42

101 N PRO A 13 10 .733 34, .763 47, .502 1. .00 32, .83

102 CD PRO A 13 10 .930 33, .500 48, .243 1. .00 33, .77

103 CA PRO A 13 10 .801 35, .913 48, .404 1. .00 35, .15

104 CB PRO A 13 10 .625 35, .273 49, .776 1. .00 35. .45

105 CG PRO A 13 11 .369 33, .983 49, .617 1. .00 31. .90

106 C PRO A 13 12 .152 36, .602 48, .267 1. .00 37, .18

107 0 PRO A 13 13, .084 36, .046 47. .689 1. .00 36. .10

108 N CYS A 14 12 , .247 37, .821 48. .780 1. .00 40. .01

109 CA CYS A 14 13 .505 38 .546 48 .751 1. .00 43 .82

110 CB CYS A 14 13 .328 39 .943 48. .162 1 , .00 45 .36 111 SG CYS A 14 14..903 40..809 47..924 1..00 51..08

112 C CYS A 14 13. .908 38. .644 50. .212 1. .00 45. .17

113 0 CYS A 14 14. .779 37. .911 50. .679 1. .00 45. .68

114 N ALA A 15 13. .251 39. .543 50. .934 1. .00 46. .73

115 CA ALA A 15 13. .512 39. .714 52. .358 1. .00 47. .39

116 CB ALA A 15 12 , .983 41. .068 52. .828 1. .00 46. .50

117 C ALA A 15 12. .792 38, .578 53. .088 1. .00 47. .05

118 0 ALA A 15 11. .742 38. .117 52. .635 1. .00 46. .14

119 N ALA A 16 13, .358 38. .122 54. .203 1. .00 47. .00

120 CA ALA A 16 12, .758 37. .039 54. .982 1. .00 45. .94

121 CB ALA A 16 13, .505 36. .865 56, .301 1. .00 47. .39

122 C ALA A 16 11, .284 37, .338 55, .242 1. .00 44. .68

123 0 ALA A 16 10, .899 38, .494 55, .428 1, .00 42. .84

124 N GLU A 17 10, .465 36, .291 55, .253 1. .00 43. .85

125 CA GLU A 17 9, .030 36, .445 55, .465 1, .00 43. .58

126 CB GLU A 17 8, .262 35, .828 54 .292 1, .00 40, .86

127 CG GLU A 17 8, .676 36, .339 52, .917 1, .00 37, .75

128 CD GLU A 17 7, .901 35, .670 51 .796 1, .00 35, .37

129 OE1 GLU A 17 8, .000 34, .431 51 .658 1, .00 31, .57

130 OE2 GLU A 17 7, .187 36. .379 51 .056 1, .00 33, .63

131 C GLU A 17 8, .535 35. .806 56 .762 1, .00 45, .31

132 0 GLU A 17 8, .993 34. .731 57 .153 1, .00 46, .25

133 N GLU A 18 7 .594 36. .480 57 .417 1, .00 46, .31

134 CA GLU A 18 6. .994 35. .997 58 .655 1, .00 47, .63

135 CB GLU A 18 7. .212 37. .000 59, .795 1. .00 52, .00

136 CG GLU A 18 8, .671 37, .233 60 .198 1, .00 57, .84

137 CD GLU A 18 9, .360 35, .972 60 .698 1. .00 61, .91

138 OE1 GLU A 18 8, .764 35, .256 61 .532 1. .00 64 , .41

139 OE2 GLU A 18 10, .500 35, .698 60 .264 1, .00 64, .16

140 C GLU A 18 5, .491 35, .832 58 .405 1. .00 45, .46

141 0 GLU A 18 4 , .823 36, .773 57 .983 1. .00 44 , .33

142 N SER A 19 4, .966 34, .636 58 .662 1, .00 44 , .52

143 CA SER A 19 3, .546 34 , .377 58 .455 1 , .00 43, .64

144 CB SER A 19 3, .328 32, .958 57 .926 1. .00 42 , .49

145 OG SER A 19 3, .669 31, .982 58 .895 1. .00 42, .41

146 C SER A 19 2, .724 34 , .579 59 .725 1, .00 43 , .88

147 0 SER A 19 1, .516 34. .815 59 .655 1. .00 39, .95 148 N LYS A 20 3..384 34..512 60..881 1..00 46..63

149 CA LYS A 20 2. .707 34 , .654 62. .175 1. .00 50. .18

150 CB LYS A 20 2. .856 33. .364 62. .989 1. .00 54. .03

151 CG LYS A 20 1. .975 32. .196 62. .596 1. .00 59. .91

152 CD LYS A 20 2, .133 31. .073 63. .624 1. .00 65. .29

153 CE LYS A 20 1, .043 30. .017 63. .475 1. .00 69. .67

154 NZ LYS A 20 1. .106 28, .974 64, .545 1. .00 72. .25

155 C LYS A 20 3. .180 35. .804 63. .043 1. .00 50. .08

156 0 LYS A 20 4. .253 36. .366 62. .837 1. .00 48. .84

157 N LEU A 21 2. .365 36. .109 64. .048 1. .00 51. .20

158 CA LEU A 21 2. .661 37. .173 64. .992 1. .00 53. .57

159 CB LEU A 21 1. .414 37. .512 65, .827 1. .00 51. .37

160 CG LEU A 21 1. .128 38, .971 66, .194 1. .00 50. .66

161 CDl LEU A 21 1. .375 39, .910 65, .040 1. .00 47. .18

162 CD2 LEU A 21 -0. .326 39, .076 66, .646 1. .00 49. .20

163 C LEU A 21 3. .822 36, .686 65, .859 1, .00 57. .11

164 0 LEU A 21 3. .995 35, .488 66, .054 1. .00 56, .22

165 N PRO A 22 4 , .662 37, .613 66 .371 1. .00 61, .20

166 CD PRO A 22 4, .642 39, .060 66 .092 1. .00 63 , .57

167 CA PRO A 22 5. .825 37, .268 67 .212 1. .00 65, .13

168 CB PRO A 22 6. .441 38, .633 67 .561 1, .00 64. .72

169 CG PRO A 22 6. .072 39, .483 66 .394 1. .00 65, .98

170 C PRO A 22 5. .527 36, .425 68 .458 1 , .00 67, .95

171 0 PRO A 22 4. .386 36, .352 68 .939 1. .00 68, .96

172 N ILE A 23 6, .561 35, .766 68 .973 1. .00 71, .09

173 CA ILE A 23 6, .415 34 , .907 70 .144 1 , .00 74 , .94

174 CB ILE A 23 7. .124 33, .542 69 .958 1. .00 75, .11

175 CG2 ILE A 23 6. .577 32, .549 70 .987 1, .00 74 , .14

176 CGI ILE A 23 6. .896 33, .009 68 .546 1. .00 76, .71

177 CDl ILE A 23 7. .783 31, .802 68 .196 1. .00 79. .78

178 C ILE A 23 7. .045 35, .579 71 .355 1. .00 77, .18

179 0 ILE A 23 8. .182 35, .262 71 .740 1, .00 78, .55

180 N ASN A 24 6, .302 36, .500 71 .959 1. .00 79, .69

181 CA ASN A 24 6. .809 37, .213 73 .116 1. .00 81. .78

182 CB ASN A 24 7. .852 38, .252 72 .660 1. .00 81. .70

183 CG ASN A 24 7. .286 39. .300 71 , .700 1. .00 81. .35

184 OD1 ASN A 24 6. .507 38. .994 70. .796 1. .00 81. .19 185 ND2 ASN A 24 7.711 40.541 71.881 1.00 81.64

186 C ASN A 24 5.738 37.856 74.001 1.00 82.97

187 O ASN A 24 4.971 37.149 74.657 1.00 83.62 188 N ALA A 25 5.674 39.185 74.011 1.00 83.19

189 CA ALA A 25 4.712 39.885 74.859 1.00 82.03

190 CB ALA A 25 5.438 40.486 76.054 1.00 81.01

191 C ALA A 25 3.913 40.965 74.140 1.00 80.95

192 O ALA A 25 2.727 41.153 74.417 1.00 79.71

193 N LEU A 26 4.559 41.679 73.226 1.00 80.26

194 CA LEU A 26 3.877 42.735 72.492 1.00 79.28

195 CB LEU A 26 4.895 43.603 71.737 1.00 81.19

196 CG LEU A 26 6.181 42.969 71.191 1.00 82.59

197 CDl LEU A 26 5.856 41.895 70.177 1.00 84.75

198 CD2 LEU A 26 7.032 44.054 70.552 1.00 83.12

199 C LEU A 26 2.820 42.187 71.536 1.00 77.39

200 0 LEU A 26 1.985 42.936 71.022 1.00 76.51

201 N SER A 27 2.854 40.874 71.315 1.00 74.53

202 CA SER A 27 1.899 40.210 70.430 1.00 71.58

203 CB SER A 27 2.419 38.829 70.020 1.00 69.47

204 OG SER A 27 3.675 38.919 69.380 1.00 66.73

205 C SER A 27 0.550 40.054 71.123 1.00 70.38

206 0 SER A 27 ^■0.455 39.721 70.494 1.00 70.24

207 N ASN A 28 0.547 40.295 72.430 1.00 68.23

208 CA ASN A 28 -0.656 40.185 73.249 1.00 65.05

209 CB ASN A 28 -0.358 39.355 74.492 1.00 67.96

210 CG ASN A 28 -1.302 38.200 74.650 1.00 70.00

211 ODl ASN A 28 -1.362 37.571 75.704 1.00 71.19

212 ND2 ASN A 28 -2.045 37.900 73.597 1.00 71.20

213 C ASN A 28 -1.135 41.566 73.692 1.00 61.17

214 0 ASN A 28 -2.209 41.711 74.288 1.00 59.79

215 N SER A 29 -0.327 42.575 73.394 1.00 56.09

216 CA SER A 29 -0.604 43.953 73.778 1.00 52.59

217 CB SER A 29 0.399 44.872 73.081 1.00 50.15

218 OG SER A 29 0.185 46.213 73.480 1.00 47.38

219 C SER A 29 -2.025 44.465 73.522 1.00 50.14

220 O SER A 29 ^■2.669 45.023 74.419 1.00 52.26

221 N LEU A 30 ^■2.513 44.272 72.303 1.00 44.75 222 CA LEU A 30 -3..839 44..760 71..923 1..00 39..04

223 CB LEU A 30 -3. .702 45. .568 70. .635 1. .00 36. .91

224 CG LEU A 30 -4 , .892 45. .738 69. .687 1. .00 35. .46

225 CDl LEU A 30 -5. .882 46. .724 70. .272 1. .00 33. .46

226 CD2 LEU A 30 -4. .374 46. .252 68. .343 1. .00 34. .82

227 C LEU A 30 -4. .864 43 , .657 71. .679 1. .00 35. .85

228 O LEU A 30 -6, .060 43, .848 71. .883 1. .00 33 , .37

229 N LEU A 31 -4. .380 42. .514 71. .213 1. .00 34 , .51

230 CA LEU A 31 -5. .233 41. .404 70. .855 1. .00 33, .80

231 CB LEU A 31 -5. .236 41. .343 69. .320 1. .00 35, .30

232 CG LEU A 31 -5. .720 40. .208 68. .446 1. .00 34, .29

233 CDl LEU A 31 -5, .995 40, .790 67. .075 1. .00 31, .96

234 CD2 LEU A 31 -4 , .682 39, .094 68. .375 1. .00 32, .42

235 C LEU A 31 -4. .772 40, .103 71. .498 1. .00 33, .96

236 0 LEU A 31 -3, .579 39, .829 71, .583 1. .00 32, .18

237 N ARG A 32 -5. .731 39, .302 71, .947 1. .00 33, .93

238 CA ARG A 32 -5. .407 38, .048 72, .609 1. .00 35, .41

239 CB ARG A 32 -6, .386 37, .820 73, .771 1. .00 41, .13

240 CG ARG A 32 -6. .387 36, .425 74 , .393 1. .00 50, .16

241 CD ARG A 32 -7, .115 36, .448 75, .743 1, .00 58, .08

242 NE ARG A 32 -8. .401 37, .150 75, .693 1. .00 64, .47

243 CZ ARG A 32 -9, .581 36, .561 75, .515 1. .00 67, .40

244 NH1 ARG A 32 -9, .653 35, .244 75, .367 1. .00 67, .84

245 NH2 ARG A 32 -10. .692 37, .289 75, .500 1. .00 69, .33

246 C ARG A 32 -5, .345 36, .813 71, .714 1. .00 34, .68

247 O ARG A 32 -4 , .520 35, .921 71, .940 1. .00 32, .27

248 N HIS A 33 -6, .201 36. .753 70, .700 1. .00 32, .72

249 CA HIS A 33 -6, .223 35, .598 69, .799 1. .00 32, .55

250 CB HIS A 33 -7. .648 35, .382 69, .290 1. .00 31, .35

251 CG HIS A 33 -8. .649 35, .182 70, .383 1. .00 32, .67

252 CD2 HIS A 33 -8, .493 34 , .801 71, .675 1. .00 32, .76

253 ND1 HIS A 33 -10. .002 35, .373 70, .203 1. .00 33, .73

254 CE1 HIS A 33 -10. .637 35. .121 71, .334 1. .00 31, .46

255 NE2 HIS A 33 -9. .743 34. .771 72, .243 1. .00 31, .88

256 C HIS A 33 -5. .257 35, .766 68, .628 1. .00 32, .60

257 0 HIS A 33 -5. .663 35, .790 67, .467 1. .00 31, .28

258 N HIS A 34 -3. .972 35, .873 68. .949 1. .00 35, .07 259 CA HIS A 34 ^■2.924 36.061 67.949 1.00 38.45

260 CB HIS A 34 ^■1.552 36.058 68.624 1.00 43.01

261 CG HIS A 34 ^•1.364 34.934 69.594 1.00 48.28

262 CD2 HIS A 34 -1.053 33.631 69.399 1.00 50.79

263 ND1 HIS A 34 ^■1.537 35.088 70.953 1.00 50.09

264 CE1 HIS A 34 ^•1.339 33.928 71.554 1.00 51.48

265 NE2 HIS A 34 ^•1.044 33.027 70.634 1.00 51.70

266 C HIS A 34 ^■2.951 34.993 66.870 1.00 37.83

267 0 HIS A 34 -2.517 35.224 65.742 1.00 38.26

268 N ASN A 35 3.458 33.823 67.231 1.00 37.28

269 CA ASN A 35 3.560 32.689 66.322 1.00 37.97

270 CB ASN A 35 4.105 31.482 67.092 1.00 41.94

271 CG ASN A 35 ^■5.367 31.816 67.893 1.00 46.85

272 ODl ASN A 35 ^■6.491 31.582 67.439 1.00 48.11

273 ND2 ASN A 35 ^•5.180 32.380 69.088 1.00 46.08

274 C ASN A 35 ^■4.440 32.971 65.104 1.00 36.32

275 O ASN A 35 ^■4.355 32.274 64.092 1.00 36.87

276 N LEU A 36 ^■5.292 33.986 65.205 1.00 33.38

277 CA LEU A 36 ^■6.182 34.340 64.106 1.00 30.44

278 CB LEU A 36 ^■7.489 34.924 64.650 1.00 29.50

279 CG LEU A 36 ^■8.342 34.055 65.583 1.00 31.54

280 CDl LEU A 36 ^■9.520 34.871 66.083 1.00 27.56

281 CD2 LEU A 36 ^•8.829 32.807 64.856 1.00 30.97

282 C LEU A 36 ^•5.534 35.346 63.152 1.00 29.20

283 O LEU A 36 ^■6.029 35.559 62.050 1.00 28.54 284 N VAL A 37 ^■4.427 35.954 63.574 1.00 28.84

285 CA VAL A 37 ^■3.734 36.941 62.743 1.00 28.67

286 CB VAL A 37 ^■3.135 38.084 63.600 1.00 27.53

287 CGI VAL A 37 ^■2.433 39.095 62.703 1.00 27.53

288 CG2 VAL A 37 ^■4.237 38.767 64.399 1.00 26.17

289 C VAL A 37 ^•2.610 36.294 61.946 1.00 28.60

290 O VAL A 37 ^•1.775 35.581 62.503 1.00 29.79 291 N TYR A 38 ^■2.591 36.545 60.642 1.00 27.13 292 CA TYR A 38 ^•1.568 35.971 59.785 1.00 27.39 293 CB TYR A 38 ^•2.053 34.636 59.208 1.00 26.18 294 CG TYR A 38 ^■3.083 34.777 58.103 1.00 27.38

295 CDl TYR A 38 ^•2.696 34.809 56.761 1.00 27.85 296 CEl TYR A 38 -3.634 34.962 55.743 1.00 27.43

297 CD2 TYR A 38 -4.442 34.903 58.399 1.00 26.62

298 CE2 TYR A 38 -5.389 35.059 57.389 1.00 26.43

299 CZ TYR A 38 -4.978 35.089 56.065 1.00 27.98

300 OH TYR A 38 -5.906 35.253 55.064 1.00 27.52

301 C TYR A 38 -1.221 36.905 58.642 1.00 27.09

302 O TYR A 38 -2.014 37.767 58.256 1.00 25.54 303 N SER A 39 -0.020 36.724 58.108 1.00 26.26 304 CA SER A 39 0.440 37.506 56.980 1.00 25.89 305 CB SER A 39 1.766 38.196 57.290 1.00 25.28

306 OG SER A 39 2.282 38.818 56.124 1.00 27.69

307 C SER A 39 0.645 36.557 55.817 1.00 24.86

308 O SER A 39 1.115 35.430 56.002 1.00 24.37 309 N THR A 40 0.271 37.001 54.623 1.00 23.04

310 CA THR A 40 0.469 36.193 53.431 1.00 23.45

311 CB THR A 40 ^■0.285 36.782 52.217 1.00 22.48

312 OGl THR A 40 0.091 38.158 52.028 1.00 22.22

313 CG2 THR A 40 -1.783 36.699 52.448 1.00 22.13

314 C THR A 40 1.970 36.193 53.153 1.00 23.26

315 O THR A 40 2.687 37.105 53.567 1.00 25.86

316 N THR A 41 2.444 35.156 52.479 1.00 25.03

317 CA THR A 41 3.857 35.035 52.144 1.00 25.94

318 CB THR A 41 4.620 34.164 53.156 1.00 23.95

319 OGl THR A 41 4.279 32.792 52.938 1.00 27.28

320 CG2 THR A 41 4.258 34.545 54.589 1.00 26.17

321 C THR A 41 3.924 34.327 50.798 1.00 27.51

322 O THR A 41 2.906 33.866 50.283 1.00 26.79

323 N SER A 42 5.124 34.221 50.242 1.00 26.49

324 CA SER A 42 5.296 33.564 48.953 1.00 28.13

325 CB SER A 42 6.736 33.736 48.464 1.00 26.54

326 OG SER A 42 7.648 33.142 49.371 1.00 31.42

327 C SER A 42 4.936 32.081 48.975 1.00 27.47

328 O SER A 42 4.802 31.465 47.922 1.00 27.60 329 N ARG A 43 4.769 31.500 50.161 1.00 30.03

330 CA ARG A 43 4.426 30.079 50.249 1.00 32.93

331 CB ARG A 43 4.403 29.602 51.707 1.00 38.51

332 CG ARG A 43 5.707 29.771 52.457 1.00 49.41 333 CD ARG A 43 5,.648 29..049 53..800 1..00 58..66

334 NE ARG A 43 6, .658 29. .537 54. .737 1. .00 67, .66

335 CZ ARG A 43 6, .630 30. .740 55. .306 1. .00 72, .01

336 NH1 ARG A 43 5, .641 31. .581 55. .036 1. .00 74 , .07

337 NH2 ARG A 43 7, .593 31. .108 56. .142 1. .00 73, .68

338 C ARG A 43 3, .074 29. .756 49. .615 1. .00 31, .71

339 0 ARG A 43 2, .831 28. .620 49. .204 1. .00 31, .54

340 N SER A 44 2, .194 30. .749 49. .540 1. .00 28, .77

341 CA SER A 44 0, .869 30. .545 48. .959 1. .00 26, .17

342 CB SER A 44 -0, .193 31. .207 49, .839 1. .00 28, .38

343 OG SER A 44 -0 .014 32. .617 49, .865 1. .00 27, .35

344 C SER A 44 0. .761 31. .119 47, .549 1. .00 26, .39

345 0 SER A 44 -0 .318 31. .129 46, .961 1, .00 23, .18

346 N ALA A 45 1 .879 31, .591 47, .006 1. .00 25, .28

347 CA ALA A 45 1 .880 32, .190 45, .675 1 , .00 24, .68

348 CB ALA A 45 3 .301 32, .610 45, .290 1. .00 22, .47

349 C ALA A 45 1 .281 31, .304 44 , .583 1. .00 26, .44

350 0 ALA A 45 0 .490 31, .780 43, .765 1. .00 24, .97

351 N SER A 46 1 .651 30, .024 44 , .565 1. .00 26. .54

352 CA SER A 46 1 .144 29, .115 43, .545 1. .00 30. .08

353 CB SER A 46 1 .692 27, .695 43, .748 1. .00 28, .94

354 OG SER A 46 1 .146 27, .086 44, .905 1. .00 34 , .15

355 C SER A 46 -0 .376 29, .093 43, .548 1. .00 29, .63

356 0 SER A 46 -0 .995 28, .969 42, .496 1. .00 30, .56

357 N LEU A 47 -0 .979 29, .220 44 , .728 1. .00 29, .81

358 CA LEU A 47 -2 .435 29, .229 44 , .829 1. .00 29, .19

359 CB LEU A 47 -2 .877 29, .193 46, .296 1. .00 30, .04

360 CG LEU A 47 -2 .555 27, .907 47, .067 1. .00 33 , .45

361 CDl LEU A 47 -3, .042 28. .032 48, .507 1. .00 32, .91

362 CD2 LEU A 47 -3 .219 26. .714 46, .381 1. .00 33, .15

363 C LEU A 47 -3 .016 30. .464 44 , .136 1. .00 28, .24

364 0 LEU A 47 -4. .034 30. .375 43. .449 1. .00 26, .52

365 N ARG A 48 -2 .375 31, .616 44 , .315 1. .00 25. .90

366 CA ARG A 48 -2 .849 32, .839 43 , .666 1. .00 26. .60

367 CB ARG A 48 -2 .096 34. .061 44 , .202 1. .00 26, .51

368 CG ARG A 48 -2 .474 35, .380 43 , .536 1. .00 27, .43

369 CD ARG A 48 -3. .939 35, .737 43. .769 1. .00 26, .79 370 NE ARG A 48 4 ,.226 35..961 45..185 1..00 29,.88 371 CZ ARG A 48 5, .448 36. .152 45. .679 1. .00 33, .98 372 NH1 ARG A 48 6, .502 36. .149 44 , .869 1. .00 33, .41

373 NH2 ARG A 48 5, .621 36. .343 46. .983 1. .00 31, .57

374 C ARG A 48 2 , .640 32. ,742 42 , .150 1. .00 26, .97

375 O ARG A 48 3 , .482 33. .184 41. .363 1. .00 25, .39 376 N GLN A 49 1, .511 32. .169 41. .741 1. .00 26, .51

377 CA GLN A 49 1 .215 32. .037 40. .319 1, .00 26 .80

378 CB GLN A 49 0 .110 31. .293 40, .115 1, .00 26 .22

379 CG GLN A 49 1 .321 32. .093 40 .578 1, .00 26 .60

380 CD GLN A 49 2 .620 31. .304 40 .514 1, .00 29, .63

381 OE1 GLN A 49 3, .217 31. .140 39 .447 1, .00 29, .24

382 NE2 GLN A 49 3 .059 30. .806 41 .663 1, .00 27, .00

383 C GLN A 49 2 .352 31, .317 39 .604 1, .00 27, .25

384 0 GLN A 49 2 .769 31, .729 38 .523 1, .00 25 .85

385 N LYS A 50 2 .866 30, .254 40 .215 1. .00 28, .64

386 CA LYS A 50 3 .966 29, .510 39 .618 1, .00 31, .67

387 CB LYS A 50 4, .314 28, .283 40 .466 1, .00 36, .97

338888 CG LYS A 50 3, .285 27, .168 40, .416 1, .00 43, .29 338899 CCDD LLYYSS AA 50 3, .839 25. .900 41, .060 1. .00 50, .31 339900 CCEE LLYYSS AA 50 2 .889 24. .724 40, .889 1 , .00 53 , .26

391 NZ LYS A 50 ^■3.487 23.444 41.375 1.00 58.30 392 C LYS A 50 ^■5.211 30.381 39.461 1.00 30.72 393 0 LYS A 50 ^■5.875 30.353 38.422 1.00 30.98 394 N LYS A 51 ^■5.520 31.161 40.491 1.00 29.39

395 CA LYS A 51 ^■6.689 32.037 40.471 1.00 30.19

396 CB LYS A 51 ^■6.905 32.670 41.850 1.00 32.63

397 CG LYS A 51 ^■7.387 31.722 42.929 1.00 40.63

398 CD LYS A 51 ^■7.566 32.469 44.245 1.00 46.07 399 CE LYS A 51 ^■8.151 31.571 45.324 1.00 49.47 400 NZ LYS A 51 -8.277 32.293 46.622 1.00 54.12 401 C LYS A 51 -6.637 33.160 39.437 1.00 27.91 402 O LYS A 51 -7.659 33.513 38.849 1.00 27.10 403 N VAL A 52 -5.453 33.726 39.221 1.00 25.23

404 CA VAL A 52 -5.303 34.840 38.282 1.00 22.42 405 CB VAL A 52 -4.173 35.808 38.738 1.00 21.62 406 CGI VAL A 52 -4.397 36.237 40.184 1.00 20.39 407 CG2 VAL A 52 -2..816 35..135 38..580 1,.00 18..82

408 C VAL A 52 -4. .993 34. .415 36. .849 1, .00 21. .67

409 0 VAL A 52 -4. .853 35. .260 35. .971 1. .00 22. .37

410 N THR A 53 -4. .898 33. .114 36. .612 1. .00 22. .33

411 CA THR A 53 -4. .565 32, .606 35. .286 1, .00 23. .41

412 CB THR A 53 -3. .465 31, .533 35. .384 1. .00 24. .89

413 OGl THR A 53 -2. .305 32, .112 35. .999 1 , .00 25. .00

414 CG2 THR A 53 -3. .092 31, .003 33. .997 1, .00 24. .45

415 C THR A 53 -5. .765 32, .023 34. .562 1. .00 25. .46

416 0 THR A 53 -6. .244 30, .943 34. .900 1. .00 28. .05

417 N PHE A 54 -6. .250 32, .742 33. .560 1. .00 24. .39

418 CA PHE A 54 -7. .400 32, .275 32, .808 1. .00 26. .68

419 CB PHE A 54 -8. .683 32, .478 33, .632 1, .00 24. .74

420 CG PHE A 54 -8. .871 33, .883 34, .146 1. .00 24. .25

421 CDl PHE A 54 -9, .445 34 , .865 33, .341 1. .00 24. .01

422 CD2 PHE A 54 -8, .504 34 , .215 35, .451 1, .00 23. .99

423 CEl PHE A 54 -9. .658 36, .161 33, .829 1, .00 23. .61

424 CE2 PHE A 54 -8. .710 35, .504 35, .952 1. .00 25. .02

425 CZ PHE A 54 -9, .292 36, .483 35 .135 1. .00 24 , .44

426 C PHE A 54 -7, .525 32. .947 31, .456 1, .00 26, .10

427 0 PHE A 54 -6. .845 33, .932 31, .166 1. .00 25, .31

428 N ASP A 55 -8, .407 32, .400 30, .629 1, .00 28, .56

429 CA ASP A 55 -8. .635 32, .916 29, .290 1. .00 29, .71

430 CB ASP A 55 -9, .116 31, .778 28. .386 1, .00 35, .71

431 CG ASP A 55 -8. .458 31, .803 27. .027 1. .00 41. .54

432 ODl ASP A 55 -7. .940 30, .747 26. .599 1, .00 46, .06

433 OD2 ASP A 55 -8, .463 32, .877 26, .386 1. .00 43 , .44

434 C ASP A 55 -9. .661 34, .044 29, .305 1. .00 28, .44

435 0 ASP A 55 -10, .674 33, .966 30, .003 1, .00 27, .21

436 N ARG A 56 -9, .389 35, .101 28, .552 1. .00 25, .98

437 CA ARG A 56 -10, .318 36, .216 28, .486 1. .00 27, .59

438 CB ARG A 56 -9, .624 37, .557 28, .788 1 , .00 25, .50

439 CG ARG A 56 -9, .089 37, .716 30, .214 1. .00 24. .65

440 CD ARG A 56 -7, .778 36, .964 30, .404 1. .00 23. .40

441 NE ARG A 56 -6, .799 37, .374 29, .401 1. .00 22. .36

442 CZ ARG A 56 -6, .133 38, .525 29, .423 1, .00 21. .98

443 NH1 ARG A 56 -6, .323 39, .389 30, .408 1. .00 20. .72 444 NH2 ARG A 56 -5.297 38.829 28.437 1.00 24.76

445 C ARG A 56 -10.968 36.286 27.108 1.00 28.52

446 O ARG A 56 -10.292 36.281 26.077 1.00 28.37

447 N LEU A 57 -12.293 36.326 27.110 1.00 30.82

448 CA LEU A 57 -13.080 36.434 25.892 1.00 34.17 449 CB LEU A 57 -14.199 35.387 25.892 1.00 37.40

450 CG LEU A 57 -15.269 35.465 24.797 1.00 43.63

451 CDl LEU A 57 -16.047 34.159 24.762 1.00 46.90 452 CD2 LEU A 57 -16.208 36.639 25.049 1.00 47.86

453 C LEU A 57 -13.658 37.839 25.959 1.00 32.32

454 O LEU A 57 -14.190 38.241 26.995 1.00 33.16

455 N GLN A 58 -13.555 38.591 24.871 1.00 30.64 456 CA GLN A 58 -14.068 39.950 24.875 1.00 30.92 457 CB GLN A 58 -12.894 40.934 24.986 1.00 30.29

458 CG GLN A 58 -13.272 42.362 25.324 1.00 28.22

459 CD GLN A 58 -12.081 43.180 25.813 1.00 29.50

460 OE1 GLN A 58 -11.004 43.167 25.208 1.00 28.92

461 NE2 GLN A 58 -12.275 43.904 26.906 1.00 24.56

462 C GLN A 58 -14.915 40.238 23.642 1.00 32.87

463 O GLN A 58 -14.468 40.059 22.507 1.00 33.33

464 N VAL A 59 -16.153 40.657 23.883 1.00 32.88

465 CA VAL A 59 -17.104 40.992 22.828 1.00 33.95

466 CB VAL A 59 -18.326 40.045 22.839 1.00 35.02

467 CGI VAL A 59 -19.317 40.461 21.765 1.00 37.26

468 CG2 VAL A 59 -17.883 38.614 22.616 1.00 35.75

469 C VAL A 59 -17.604 42.406 23.098 1.00 33.42

470 O VAL A 59 -18.316 42.636 24.076 1.00 33.86

471 N LEU A 60 17.235 43.348 22.237 1.00 31.55

472 CA LEU A 60 17.649 44.732 22.408 1.00 32.61

473 CB LEU A 60 ^■16.527 45.662 21.952 1.00 32.00

474 CG LEU A 60 ^■15.166 45.366 22.588 1.00 32.04

475 CDl LEU A 60 ^•14.122 46.267 21.976 1.00 34.29

476 CD2 LEU A 60 -15.236 45.568 24.100 1.00 32.14

477 C LEU A 60 -18.931 45.035 21.639 1.00 33.39

478 O LEU A 60 -19.385 44.231 20.824 1.00 34.91

479 N ASP A 61 -19.521 46.194 21.908 1.00 32.58

480 CA ASP A 61 ^•20.750 46.584 21.236 1.00 32.54 481 CB ASP A 61 -21..971 46..063 22..006 1..00 33 ,.52

482 CG ASP A 61 -21, .995 46. .517 23. .458 1. .00 35. .60

483 ODl ASP A 61 -22, .732 45. .890 24. .249 1. .00 38. .09

484 OD2 ASP A 61 -21, .296 47. .492 23. .815 1. .00 33. .72

485 C ASP A 61 -20, .814 48. .090 21. .098 1. .00 31. .29

486 0 ASP A 61 -19, .863 48. .790 21. .461 1. .00 30. .55

487 N ASP A 62 -21. .935 48. .587 20. .586 1. .00 29, .28

488 CA ASP A 62 -22. .093 50. .015 20. .377 1. .00 29, .30

489 CB ASP A 62 -23, .293 50, .289 19. .467 1. .00 31, .56

490 CG ASP A 62 -23, .104 49, .710 18. .070 1. .00 35, .48

491 ODl ASP A 62 -21, .995 49, .845 17. .503 1. .00 33 , .73

492 OD2 ASP A 62 -24, .067 49. .122 17. .536 1. .00 37, .26

493 C ASP A 62 -22, .184 50. .843 21. .645 1. .00 27, .89

494 0 ASP A 62 -21, .795 52. .013 21. .646 1. .00 26, .78

495 N HIS A 63 -22, .700 50. .265 22. .727 1. .00 26, .17

496 CA HIS A 63 -22, .762 51, .018 23, .977 1. .00 24 , .91

497 CB HIS A 63 -23, .483 50, .225 25 .072 1. .00 27. .55

498 CG HIS A 63 -24 .974 50, .246 24 .946 1. .00 29. .82

499 CD2 HIS A 63 -25, .893 49, .257 25 .045 1. .00 30, .42

500 ND1 HIS A 63 -25, .682 51, .407 24, .719 1. .00 29, .34

501 CEl HIS A 63 -26 .974 51, .132 24 .686 1. .00 30, .62

502 NE2 HIS A 63 -27, .130 49, .835 24, .881 1. .00 30. .09

503 C HIS A 63 -21, .325 51, .303 24 .403 1. .00 24. .41

504 0 HIS A 63 -20, .979 52, .433 24, .761 1. .00 21. .97

505 N TYR A 64 -20, .490 50, .269 24 , .335 1. .00 22. .25

506 CA TYR A 64 -19, .079 50, .388 24, .686 1. .00 23. .93

507 CB TYR A 64 -18, .370 49, .052 24, .451 1. .00 23. .21

508 CG TYR A 64 -16, .870 49. .078 24, .683 1. .00 23 , .12

509 CDl TYR A 64 -16, .327 48. .791 25, .939 1. .00 23. .00

510 CEl TYR A 64 -14 , .939 48. .802 26, .146 1. .00 25. .06

511 CD2 TYR A 64 -15, .994 49. .380 23, .641 1. .00 24. .87

512 CE2 TYR A 64 -14 , .612 49. .397 23, .835 1. .00 26. .64

513 CZ TYR A 64 -14 , .091 49. .107 25. .086 1. .00 26. .54

514 OH TYR A 64 -12, .724 49. .121 25, .265 1. .00 28. .69

515 C TYR A 64 -18, .424 51, .469 23, .824 1. .00 24. .54

516 0 TYR A 64 -17. .716 52, .338 24 , .336 1. .00 25. .49

517 N ARG A 65 -18, .670 51, .412 22, .514 1. .00 24. .87 518 CA ARG A 65 -18,.092 52..382 21,.585 1..00 25,.43

519 CB ARG A 65 -18, .365 51. .952 20, .135 1. .00 25. .42

520 CG ARG A 65 -17, .680 50. .632 19, .772 1. .00 28, .71

521 CD ARG A 65 -18, .170 50. .029 18, .452 1. .00 31, .58

522 NE ARG A 65 -17, .603 48. .695 18, .265 1. .00 33 , .88

523 CZ ARG A 65 -18, .313 47. .576 18, .158 1. .00 35, .67

524 NH1 ARG A 65 -19, .641 47. .611 18, .209 1. .00 33 , .75

525 NH2 ARG A 65 -17, .688 46, .411 18, .030 1. .00 37, .49

526 C ARG A 65 -18, .587 53, .804 21, .828 1. .00 25, .29

527 0 ARG A 65 -17, .801 54 , .754 21, .753 1. .00 25, .64

528 N ASP A 66 -19, .877 53 , .960 22, .125 1. .00 25, .11

529 CA ASP A 66 -20, .423 55, .293 22 .385 1. .00 25, .09

530 CB ASP A 66 -21. .943 55, .260 22 .593 1. .00 27, .16

531 CG ASP A 66 -22, .704 54, .799 21 .360 1. .00 31, .95

532 ODl ASP A 66 -22 .233 55, .031 20 .227 1. .00 29, .66

533 OD2 ASP A 66 -23. .795 54 , .212 21 .531 1. .00 33 , .12

534 C ASP A 66 -19 .783 55, .895 23 .633 1. .00 25, .77

535 0 ASP A 66 -19 .435 57, .073 23 .650 1. .00 25, .49

536 N VAL A 67 -19 .643 55, .092 24 .685 1. .00 24. .04

537 CA VAL A 67 -19 .036 55, .582 25 .922 1. .00 24 , .24

538 CB VAL A 67 -19 .085 54, .525 27 .048 1. .00 23 , .19

539 CGI VAL A 67 -18 .411 55, .076 28 .309 1. .00 20, .51

540 CG2 VAL A 67 -20 .530 54 , .155 27 .346 1. .00 26, .93

541 C VAL A 67 -17.579 55.976 25.700 1.00 24.13

542 0 VAL A 67 -17.138 57.026 26.165 1.00 25.58

543 N LEU A 68 -16.834 55.135 24.990 1.00 24.35

544 CA LEU A 68 -15.427 55.424 24.727 1.00 26.34

545 CB LEU A 68 -14.787 54.298 23.914 1.00 23.53

546 CG LEU A 68 -13.292 54.457 23.596 1.00 26.18

547 CDl LEU A 68 -12.502 54.682 24.881 1.00 24.46

548 CD2 LEU A 68 -12.788 53.217 22.869 1.00 22.24

549 C LEU A 68 -15.289 56.741 23.973 1.00 28.24

550 0 LEU A 68 -14.400 57.544 24.263 1.00 27.53

551 N LYS A 69 -16.180 56.963 23.010 1.00 30.68

552 CA LYS A 69 -16.152 58.184 22.217 1.00 33.23

553 CB LYS A 69 -17.241 58.142 21.145 1.00 36.65

554 CG LYS A 69 -16.956 59.021 19.941 1.00 45.26 555 CD LYS A 69 -15..707 58..537 19..203 1..00 53 ,.66

556 CE LYS A 69 -15. .387 59. .400 17. .983 1. .00 56, .40

557 NZ LYS A 69 -14. .167 58, .923 17. .266 1. .00 59, .50

558 C LYS A 69 -16. .359 59, .393 23. .125 1. .00 32, .01

559 0 LYS A 69 -15, .662 60, .399 23. .006 1. .00 32, .31

560 N GLU A 70 -17. .317 59. .288 24. .039 1. .00 31, .28

561 CA GLU A 70 -17. .603 60, .373 24. .971 1. .00 30, .10

562 CB GLU A 70 -18. .844 60, .037 25. .798 1. .00 32, .44

563 CG GLU A 70 -20, .085 59, .759 24. .963 1. .00 37, .00

564 CD GLU A 70 -21, .257 59, .268 25. .801 1. .00 38, .35

565 OE1 GLU A 70 -22. .282 58, .875 25. .208 1. .00 40, .96

566 OE2 GLU A 70 -21. .153 59. .277 27. .048 1. .00 40, .10

567 C GLU A 70 -16. .417 60, .630 25, .907 1. .00 28. .58

568 0 GLU A 70 -16. .108 61, .775 26, .236 1. .00 27. .26

569 N MET A 71 -15. .764 59, .558 26, .342 1. .00 25. .97

570 CA MET A 71 -14 , .615 59, .678 27, .231 1. .00 26. .32

571 CB MET A 71 -14, .165 58, .290 27, .704 1. .00 24 , .56

572 CG MET A 71 -15, .138 57, .640 28 .693 1. .00 25, .82

573 SD MET A 71 -14 , .754 55, .917 29, .078 1. .00 30, .69

574 CE MET A 71 -13 , .352 56, .137 30, .193 1. .00 26. .66

575 C MET A 71 -13 , .467 60, .396 26, .522 1. .00 27. .78

576 0 MET A 71 -12, .835 61, .287 27, .091 1. .00 26. .28

577 N LYS A 72 -13, .204 60, .010 25. .277 1. .00 28. .71

578 CA LYS A 72 -12, .135 60, .638 24. .506 1. .00 29, .57

579 CB LYS A 72 -11. .982 59, .956 23. .151 1. .00 28, .95

580 CG LYS A 72 -11, .325 58, .591 23 , .217 1. .00 29. .51

581 CD LYS A 72 -11 , .272 57, .956 21. .842 1. .00 30. .52

582 CE LYS A 72 -10, .528 56, .637 21, .876 1. .00 31. .85

583 NZ LYS A 72 -10. .441 56, .040 20, .521 1. .00 33. .29

584 C LYS A 72 -12. .387 62, .126 24. .297 1. .00 30. .09

585 0 LYS A 72 -11. .451 62, .921 24 , .309 1. .00 29. .28

586 N ALA A 73 -13. .650 62, .499 24 , .105 1. .00 30. .38

587 CA ALA A 73 -14. .008 63, .900 23 , .899 1. .00 31. .75

588 CB ALA A 73 -15. .500 64. .025 23 , .605 1. .00 30. .76

589 C ALA A 73 -13. .642 64. .724 25, .131 1. .00 33. .35

590 0 ALA A 73 -13. .045 65, .797 25. .021 1. .00 33. .00

591 N LYS A 74 -13. .991 64, .226 26. .311 1. ,00 33. .76 592 CA LYS A 74 ^■13.666 64.951 27.531 1..00 34..11 593 CB LYS A 74 ^■14.438 64.365 28.714 1. .00 38, .68 594 CG LYS A 74 •15.909 64.737 28.699 1. .00 43 , .82 595 CD LYS A 74 ^•16.693 64.028 29.789 1. .00 49, .47 596 CE LYS A 74 ^•18.147 64.474 29.779 1. .00 53, .53 597 NZ LYS A 74 ^■18.964 63.756 30.798 1. .00 57, .57 598 C LYS A 74 ^■12.165 64.940 27.813 1. .00 33 , .74

599 O LYS A 74 ^•11.635 65.880 28.402 1. .00 32, .46

600 N ALA A 75 ^■11.479 63.884 27.380 1. .00 31, .92

601 CA ALA A 75 ^•10.039 63.776 27.600 1. .00 32, .73

602 CB ALA A 75 -9.564 62.367 27.253 1. .00 32, .08 603 C ALA A 75 -9.268 64.805 26.769 1. .00 34 , .97 604 O ALA A 75 -8.150 65.191 27.118 1. .00 33, .49

605 N SER A 76 -9.869 65.256 25.675 1. .00 35, .38

606 CA SER A 76 -9.210 66.226 24.809 1.00 39.32

607 CB SER A 76 -9.904 66.280 23.446 1.00 39.10

608 OG SER A 76 ^•11.180 66.888 23.551 1.00 43.71

609 C SER A 76 -9.171 67.623 25.425 1.00 38.96

610 O SER A 76 -8.545 68.529 24.878 1.00 41.03 611 N THR A 77 -9.831 67.796 26.565 1.00 38.81 612 CA THR A 77 -9.849 69.091 27.237 1.00 38.38 613 CB THR A 77 -11.159 69.306 28.012 1.00 38.75

614 OGl THR A 77 -11.231 68.372 29.098 1.00 39.81

615 CG2 THR A 77 -12.354 69.107 27.098 1.00 39.96

616 C THR A 77 -8.698 69.195 28.229 1.00 38.05

617 O THR A 77 -8.487 70.242 28.847 1.00 38.47

618 N VAL A 78 -7.949 68.107 28.373 1.00 37.33

619 CA VAL A 78 -6.839 68.074 29.309 1.00 36.32

620 CB VAL A 78 -6.765 66.711 30.039 1.00 35.42

621 CGI VAL A 78 -5.629 66.722 31.048 1.00 33.06

622 CG2 VAL A 78 -8.084 66.413 30.724 1.00 33.76

623 C VAL A 78 -5.487 68.325 28.663 1.00 37.29 624 O VAL A 78 -5.194 67.818 27.579 1.00 36.03 625 N LYS A 79 -4.670 69.115 29.352 1.00 37.92 626 CA LYS A 79 -3.320 69.427 28.906 1.00 38.79 627 CB LYS A 79 -3.145 70.935 28.705 1.00 41.38 628 CG LYS A 79 -1.744 71.340 28.259 1.00 45.49 629 CD LYS A 79 -1..681 72..827 27..918 1..00 48..69

630 CE LYS A 79 -0. .298 73. .242 27. .427 1. .00 48. .73

631 NZ LYS A 79 0. .740 73. .138 28. .492 1. .00 49, .58

632 C LYS A 79 -2. .406 68. .946 30. .021 1. .00 37, .95

633 0 LYS A 79 -2, .528 69. .386 31. .167 1. .00 38, .77

634 N ALA A 80 -1. .506 68. .031 29. .690 1. .00 36, .44

635 CA ALA A 80 -0. .584 67. .488 30. .677 1. .00 37, .32

636 CB ALA A 80 -0. .753 65. .978 30. .765 1. .00 35, .77

637 C ALA A 80 0. .850 67, .837 30. .306 1. .00 38, .16

638 0 ALA A 80 1, .180 67, .976 29. .128 1. .00 37, .75

639 N LYS A 81 1, .701 67, .967 31. .314 1. .00 40, .62

640 CA LYS A 81 3, .093 68, .314 31. .082 1. .00 44 , .50

641 CB LYS A 81 3. .425 69, .626 31, .793 1. .00 50, .17

642 CG LYS A 81 3, .214 69, .573 33, .297 1. .00 59, .37

643 CD LYS A 81 3, .627 70, .870 33, .971 1. .00 67, .47

644 CE LYS A 81 3. .482 70, .776 35, .481 1. .00 71, .85

645 NZ LYS A 81 3, .930 72, .023 36 .160 1. .00 76, .48

646 C LYS A 81 4. .033 67 .225 31 .573 1. .00 42, .67

647 0 LYS A 81 3. .696 66 .458 32 .473 1. .00 42, .25

648 N LEU A 82 5. .211 67 .155 30 .965 1. .00 41, .18

649 CA LEU A 82 6, .217 66 .180 31 .368 1. .00 40, .03

650 CB LEU A 82 7 .337 66 .092 30 .326 1. .00 40, .56

651 CG LEU A 82 7, .127 65 .398 28 .981 1. .00 39, .90

652 CDl LEU A 82 8, .126 65 .956 27, .975 1. .00 40, .43

653 CD2 LEU A 82 7 .303 63 .894 29 .136 1. .00 36, .85

654 C LEU A 82 6, .823 66 .680 32, .672 1. .00 39, .26

655 0 LEU A 82 6, .846 67 .886 32 .924 1. .00 39, .37

656 N LEU A 83 7, .289 65 .761 33, .508 1. .00 37, .03

657 CA LEU A 83 7, .941 66 .158 34, .747 1. .00 36, .61

658 CB LEU A 83 7, .616 65 .199 35, .898 1. .00 34, .97

659 CG LEU A 83 6, .195 65 .139 36, .454 1. .00 34, .01

660 CDl LEU A 83 6, .228 64 .422 37, .797 1. .00 32, .99

661 CD2 LEU A 83 5, .639 66 .545 36, .626 1. .00 33, .76

662 C LEU A 83 9, .437 66 .106 34, .472 1. .00 36, .60

663 0 LEU A 83 9, .896 65 .311 33, .649 1. .00 35. .25

664 N SER A 84 10, .193 66 .960 35, .151 1. .00 37. .23

665 CA SER A 84 11, .639 66 .983 34, .988 1. .00 37, .88 666 CB SER A 84 12,.220 68..240 35..637 1,.00 37.87

667 OG SER A 84 11, .985 68. .241 37. .037 1, .00 36 .58

668 C SER A 84 12, .183 65. .749 35. .695 1, .00 38 .67

669 0 SER A 84 11, .497 65. .162 36. .535 1. .00 40 .02

670 N VAL A 85 13, .402 65. .344 35, .357 1, .00 38 .49

671 CA VAL A 85 13, .998 64. .187 36. .009 1. .00 40 .44

672 CB VAL A 85 15, .455 63. .957 35. .546 1. .00 40. .17

673 CGI VAL A 85 16, .075 62, .806 36. .326 1, .00 41 .26

674 CG2 VAL A 85 15. .488 63, .660 34. .060 1, .00 39 .56

675 C VAL A 85 14. .002 64 , .432 37, .518 1, .00 42 .33

676 0 VAL A 85 13, .717 63 , .528 38, .306 1. .00 43 .39

677 N GLU A 86 14, .315 65, .663 37, .917 1. .00 43, .01

678 CA GLU A 86 14, .356 66, .005 39, .333 1. .00 44, .35

679 CB GLU A 86 14 , .872 67, .436 39. .532 1. .00 47, .47

680 CG GLU A 86 14 , .966 67, .848 40, .995 1, .00 53 .12

681 CD GLU A 86 15, .588 69, .223 41, .191 1, .00 57. .76

682 OEl GLU A 86 15, .683 69, .673 42, .355 1. .00 58, .77

683 OE2 GLU A 86 15, .984 69, .850 40, .184 1. .00 60 .23

684 C GLU A 86 12, .983 65, .857 39, .978 1. .00 42, .78

685 0 GLU A 86 12, .853 65, .250 41, .040 1. .00 43, .83

686 N GLU A 87 11, .963 66, .418 39, .337 1, .00 41, .00

687 CA GLU A 87 10, .600 66, .335 39, .849 1, .00 39, .77

688 CB GLU A 87 9, .637 67, .026 38, .882 1. .00 40, .86

689 CG GLU A 87 9, .695 68, .551 38, .928 1. .00 42 , .71

690 CD GLU A 87 8, .868 69, .202 37, .831 1. .00 44 , .14

691 OEl GLU A 87 8, .352 70, .315 38, .052 1. .00 44 , .84

692 OE2 GLU A 87 8, .745 68, .607 36, .740 1. .00 44 , .42

693 C GLU A 87 10, .185 64. .876 40, .054 1. .00 38, .78

694 0 GLU A 87 9. .594 64. .527 41, .078 1. .00 39, .44

695 N ALA A 88 10. .506 64. .030 39, .081 1. .00 37, .36

696 CA ALA A 88 10. .176 62. .611 39, .148 1. .00 35, .74

697 CB ALA A 88 10. .523 61. .930 37. .830 1. .00 35, .00

698 C ALA A 88 10. .917 61. .930 40. .295 1. .00 35, .63

699 0 ALA A 88 10. .354 61. .093 40. .995 1. .00 34 , .49

700 N CYS A 89 12. .183 62. .288 40. .486 1. .00 35, .21

701 CA CYS A 89 12. .977 61. .700 41. .560 1. .00 36 , .08

702 CB CYS A 89 14.434 62.182 41.474 1.00 34.15 703 SG CYS A 89 15.349 61.605 40.016 1.00 35.71

704 C CYS A 89 12.404 62.043 42.940 1.00 35.53

705 0 CYS A 89 12.393 61.208 43.839 1.00 36.56

706 N LYS A 90 11.925 63.271 43.104 1.00 37.04

707 CA LYS A 90 11.375 63.699 44.386 1.00 38.81

708 CB LYS A 90 11.158 65.214 44.380 1.00 42.57

709 CG LYS A 90 12.455 66.017 44.401 1.00 50.84

710 CD LYS A 90 12.214 67.512 44.201 1.00 58.12

711 CE LYS A 90 11.733 67.821 42.784 1.00 62.32

712 NZ LYS A 90 11.586 69.285 42.529 1.00 64.59

713 C LYS A 90 10.074 62.982 44.747 1.00 37.42

714 0 LYS A 90 9.628 63.034 45.892 1.00 37.49

715 N LEU A 91 9.470 62.317 43.766 1.00 35.18

716 CA LEU A 91 8.224 61.584 43.980 1.00 32.99

717 CB LEU A 91 7.360 61.612 42.712 1.00 31.71

718 CG LEU A 91 6.614 62.904 42.372 1.00 33.08

719 CDl LEU A 91 5.989 62.781 40.986 1.00 33.50

720 CD2 LEU A 91 5.543 63.178 43.421 1.00 32.00

721 C LEU A 91 8.489 60.132 44.366 1.00 31.55

722 O LEU A 91 7.559 59.385 44.664 1.00 30.68

723 N THR A 92 9.757 59.741 44.369 1.00 30.47

724 CA THR A 92 10.138 58.373 44.696 1.00 31.64

725 CB THR A 92 11.480 58.012 44.035 1.00 30.32

726 OGl THR A 92 11.414 58.305 42.634 1.00 31.79

727 CG2 THR A 92 11.791 56.535 44.228 1.00 28.81

728 C THR A 92 10.258 58.119 46.196 1.00 33.43

729 0 THR A 92 10.983 58.825 46.897 1.00 33.99

730 N PRO A 93 9.540 57.104 46.708 1.00 33.53

731 CD PRO A 93 8.545 56.255 46.032 1.00 32.00

732 CA PRO A 93 9.602 56.789 48.138 1.00 33.71

733 CB PRO A 93 8.670 55.586 48.268 1.00 33.42

734 CG PRO A 93 7.667 55.823 47.183 1.00 31.90

735 C PRO A 93 11.037 56.446 48.529 1.00 35.13

736 O PRO A 93 11.728 55.721 47.810 1.00 32.26

737 N PRO A 94 11.501 56.967 49.677 1.00 36.02 738 CD PRO A 94 10.765 57.864 50.587 1.00 37.20 739 CA PRO A 94 12.860 56.721 50.173 1.00 36.58 740 CB PRO A 94 12,.849 57..385 51..548 1..00 35..71

741 CG PRO A 94 11 , .886 58. .514 51. .369 1. .00 38, .70

742 C PRO A 94 13 , .190 55. .234 50. .263 1. .00 37. .69 743 O PRO A 94 14 , .347 54. .837 50. .140 1. .00 37. .73 744 N HIS A 95 12, .160 54. .420 50. .468 1. .00 38, .32

745 CA HIS A 95 12, .315 52. .975 50. .598 1, .00 40, .50

746 CB HIS A 95 11, .461 52. .482 51. .766 1. .00 45, .13

747 CG HIS A 95 10, .063 53. .017 51. .748 1. .00 50, .52

748 CD2 HIS A 95 8, .870 52. .398 51. .571 1. .00 52, .62 749 ND1 HIS A 95 9, .778 54. .357 51. .900 1. .00 51, .85

750 CEl HIS A 95 8, .472 54. .542 51. .818 1. .00 53. .54

751 NE2 HIS A 95 7, .899 53. .368 51. .618 1, .00 53 , .87

752 C HIS A 9955 11, .947 52. .172 49. .344 1, .00 39, .00 753 O HIS A 95 11 .913 50. .940 49. .386 1, .00 38, .33 775544 N SER A 96 11 .672 52. .853 48. .236 1, .00 35, .86

755 CA SER A 96 11 .306 52, .155 47. .002 1, .00 33 , .95

756 CB SER A 96 11 .115 53 , .161 45. .868 1. .00 33 , .84

757 OG SER A 96 10 .640 52, .517 44. .701 1, .00 35, .00 758 C SER A 96 12 .381 51. .134 46, .624 1. .00 33, .54 759 O SER A 96 13 .557 51. .331 46, .926 1, .00 32, .48 760 N ALA A 97 11 .975 50. .043 45, .976 1, .00 30, .87

761 CA ALA A 97 12 .908 48. .991 45, .572 1. .00 31, .78

762 CB ALA A 97 12 .164 47, .902 44 , .795 1. .00 29, .22

763 C ALA A 97 14 .070 49, .529 44, .731 1, .00 32, .53 764 O ALA A 97 13 .862 50, .237 43, .744 1, .00 31, .94

765 N LYS A 98 15 .293 49, .180 45, .118 1. .00 33 , .52

766 CA LYS A 98 16 .471 49, .643 44 , .392 1, .00 35, .97

767 CB LYS A 98 17, .745 49, .230 45, .130 1, .00 39, .00

768 CG LYS A 98 17 .946 47. .726 45. .207 1, .00 44 , .76 769 CD LYS A 98 19, .304 47. .372 45. .796 1, .00 51, .10

770 CE LYS A 98 19, .562 45. .874 45. .732 1, .00 54 , .28

771 NZ LYS A 98 20 .936 45. .524 46. .195 1 , .00 58. .50

772 C LYS A 98 16, .523 49. .098 42, .961 1 , .00 35. .87 773 O LYS A 98 15, .896 48. .085 42, .639 1, .00 35. .56 777744 N SER A 99 17, .286 49. .777 42 , .111 1, .00 34. .79

775 CA SER A 99 17, .450 49. .372 40. .721 1 , .00 36. .31

776 CB SER A 99 17, .981 50. .541 39. .890 1. .00 34. .43 777 OG SER A 99 18.289 50.118 38.572 1.00 35.43

778 C SER A 99 18.414 48.199 40.597 1.00 37.61

779 O SER A 99 19.239 47.960 41.479 1 . 00 37 . 00

780 N LYS A 100 18.299 47.458 39.503 1 . 00 39 . 55

781 CA LYS A 100 19.186 46.328 39.265 1.00 43.29

782 CB LYS A 100 18.557 45.331 38.285 1.00 48.57

783 CG LYS A 100 17.334 44.591 38.794 1 . 00 57 . 73

784 CD LYS A 100 16.846 43.587 37.756 1 . 00 64 . 28

785 CE LYS A 100 15.729 42.718 38.309 1 . 00 69 . 28 786 NZ LYS A 100 15.242 41.722 37.315 1.00 73.96 787 C LYS A 100 20.459 46.876 38.638 1.00 42.49

788 O LYS A 100 21.405 46.127 38.383 1.00 41.16

789 N PHE A 101 20.484 48.184 38.396 1.00 40.28

790 CA PHE A 101 21.639 48.794 37.755 1.00 41.13

791 CB PHE A 101 21. .176 49. .523 36 .488 1. .00 39. .68

792 CG PHE A 101 20. .291 48. .681 35 .606 1. .00 40. .30

793 CDl PHE A 101 18. .906 48. .725 35 .743 1. .00 38. .99

794 CD2 PHE A 101 20. .843 47. .798 34 .681 1. .00 41. .30

795 CEl PHE A 101 18. .083 47. .901 34 .976 1. .00 39. .32

796 CE2 PHE A 101 20. .028 46. .967 33 .907 1. .00 40. .66

797 CZ PHE A 101 18. .644 47. .021 34 .058 1. .00 40. .86

798 C PHE A 101 22. .528 49. .704 38 .609 1. .00 40. .38

799 0 PHE A 101 22. .881 50, .807 38 .195 1. .00 40. .20

800 N GLY A 102 22. .873 49. .229 39 .803 1. .00 41. .21

801 CA GLY A 102 23. .769 49. .960 40 .686 1. .00 41. .93

802 C GLY A 102 23. .354 51. .180 41, .492 1. .00 42. .29

803 0 GLY A 102 24. .206 52. .024 41, .780 1. .00 44. .14

804 N TYR A 103 22, .084 51. .294 41, .868 1. .00 40. .35

805 CA TYR A 103 21. .643 52. .437 42, .669 1. .00 38. .41

806 CB TYR A 103 21, .631 53. .716 41, .818 1. .00 37. .22

807 CG TYR A 103 20, .607 53. .741 40, .703 1. .00 37. .13

808 CDl TYR A 103 19. .303 54. .183 40, .935 1. .00 36. .53

809 CEl TYR A 103 18, .355 54. .214 39, .907 1. .00 37. .21

810 CD2 TYR A 103 20, .944 53. .325 39, .413 1. .00 35. .83

811 CE2 TYR A 103 20, .005 53. .349 38. .378 1. ,00 36. .71

812 CZ TYR A 103 18 .715 53. .793 38 .633 1. .00 35. .94

813 OH TYR A 103 17 .787 53, .807 37 .621 1. .00 35. .57 814 C TYR A 103 20.274 52.201 43.308 1.00 38.29 815 O TYR A 103 19.516 51.334 42.869 1.00 36.44 816 N GLY A 104 19.969 52.970 44.350 1.00 37.01 817 CA GLY A 104 18.700 52.815 45.041 1.00 35.83 818 C GLY A 104 17.864 54.078 45.106 1.00 35.48

819 O GLY A 104 18.210 55.098 44.504 1.00 32.62

820 N ALA A 105 16.758 54.004 45.844 1.00 35.49

821 CA ALA A 105 15.847 55.131 45.988 1.00 37.52

822 CB ALA A 105 14.660 54.732 46.861 1.00 35.77 823 C ALA A 105 16.546 56.352 46.578 1.00 38.85

824 O ALA A 105 16.295 57.483 46.158 1.00 37.60

825 N LYS A 106 17.422 56.120 47.552 1.00 41.93

826 CA LYS A 106 18.152 57.215 48.183 1.00 45.73

827 CB LYS A 106 19.022 56.694 49.330 1.00 52.30 828 CG LYS A 106 19.679 57.803 50.141 1.00 62.29

829 CD LYS A 106 19.922 57.371 51.580 1.00 70.47

830 CE LYS A 106 20.339 58.548 52.452 1.00 75.46

831 NZ LYS A 106 20.388 58.180 53.896 1.00 79.87

832 C LYS A 106 19.022 57.936 47.159 1.00 43.40 833 O LYS A 106 19.190 59.155 47.220 1.00 43.63

834 N ASP A 107 19.569 57.173 46.218 1.00 41.25

835 CA ASP A 107 20.412 57.723 45.161 1.00 39.33

836 CB ASP A 107 21.101 56.583 44.412 1.00 39.06

837 CG ASP A 107 22.074 55.820 45.286 1.00 38.67 838 ODl ASP A 107 22.288 54.614 45.037 1.00 40.55

839 OD2 ASP A 107 22.639 56.427 46.220 1.00 37.82

840 C ASP A 107 19.538 5588..553300 44.207 1.00 38.84

841 O ASP A 107 19.924 5599..559988 43.727 1.00 39.17

842 N VAL A 108 18.345 58.011 43.939 1.00 37.30 843 CA VAL A 108 17.411 58.693 43.064 1.00 35.08

844 CB VAL A 108 16.161 57.811 42.798 1.00 32.99

845 CGI VAL A 108 15.069 58.628 42.140 1.00 31.99 846 CG2 VAL A 108 16.544 56.633 41.903 1.00 31.76 847 C VAL A 108 16.987 60.009 43.706 1.00 35.39 848 O VAL A 108 17.024 61.062 43.065 1.00 35.69

849 N ARG A 109 16.597 59.951 44.977 1.00 36.83

850 CA ARG A 109 16.158 61.145 45.692 1.00 39.09 851 CB ARG A 109 15.567 60.764 47.057 1.00 38.45

852 CG ARG A 109 14.247 59.984 46.976 1.00 39.22

853 CD ARG A 109 13.624 59.752 48.359 1.00 38.52

854 NE ARG A 109 13.262 61.007 49.015 1.00 37.82

855 CZ ARG A 109 12.278 61.811 48.616 1.00 40.17

856 NH1 ARG A 109 11.538 61.493 47.561 1.00 38.71

857 NH2 ARG A 109 12.044 62.947 49.262 1. .00 37. .98

858 C ARG A 109 17.268 62.186 45.873 1. .00 40. .91

859 O ARG A 109 16.993 63.383 45.914 1. .00 42, .01

860 N SER A 110 18.516 61.740 45.975 1. .00 42, .17

861 CA SER A 110 19.627 62.677 46.144 1. .00 44 , .96

862 CB SER A 110 20.759 62.031 46.948 1. .00 43 , .49

863 OG SER A 110 21.352 60.962 46.236 1. .00 46, .24

864 C SER A 110 20.157 63.147 44.791 1. .00 45, .57 865 0 SER A 110 21.140 63.890 44.717 1, .00 46. .78 866 N LEU A 111 19.495 62.708 43.724 1. .00 44. .80

867 CA LEU A 111 19.876 63.075 42.365 1. .00 43 , .04

868 CB LEU A 111 19.658 64.578 42.145 1. .00 40, .87

869 CG LEU A 111 18.271 65.158 42.445 1. .00 40. .13

870 CDl LEU A 111 18.272 66.645 42.119 1.00 39.76

871 CD2 LEU A 111 17.204 64.439 41.622 1.00 37.90

872 C LEU A 111 21.332 6622..772255 42.053 1.00 43.22

873 0 LEU A 111 22.023 63.491 41.383 1.00 43.09 874 N SER A 112 21.800 61.572 42.525 1.00 43.95

875 CA SER A 112 23.182 6611..117766 42.264 1.00 45.05

876 CB SER A 112 23.510 59.849 42.952 1.00 43.75

877 OG SER A 112 22.867 58.761 42.316 1.00 45.83 878 C SER A 112 23.402 61.048 40.762 1.00 46.47

879 O SER A 112 22.453 60.836 40.005 1.00 47.28

880 N SER A 113 24.654 61.181 40.338 1.00 47.38

881 CA SER A 113 25.007 6611..009944 38.925 1.00 47.90

882 CB SER A 113 26.509 61.327 38.743 1.00 48.31

883 OG SER A 113 26.880 62.605 39.231 1.00 49.95 884 C SER A 113 24.626 59.758 38.303 1.00 47.39

885 O SER A 113 24.008 59.715 37.239 1.00 47.19

886 N ARG A 114 24.992 58.670 38.968 1.00 46.17 887 CA ARG A 114 24.691 57.340 38.454 1.00 46.00 888 CB ARG A 114 25..225 56..279 39..418 1..00 44..88

889 CG ARG A 114 25. .285 54. .882 38. .839 1. .00 48. .46

890 CD ARG A 114 26. .073 53. .954 39. .747 1. .00 52. .99

891 NE ARG A 114 26. .527 52. .759 39. .035 1. .00 56. .57

892 CZ ARG A 114 27. .340 51. .840 39. .547 1. .00 57. .77

893 NHl ARG A 114 27. .799 51. .967 40. .785 1. .00 56. .45

894 NH2 ARG A 114 27. .700 50. .796 38. .814 1. .00 58. .81

895 C ARG A 114 23. .191 57. .149 38. .241 1. .00 45, .38

896 0 ARG A 114 22. .759 56. .670 37. .195 1. .00 45, .26

897 N ALA A 115 22. .402 57. .542 39. .234 1. .00 44 , .29

898 CA ALA A 115 20. .954 57. .405 39. .160 1. .00 43, .54

899 CB ALA A 115 20. .318 57. .844 40. .478 1. .00 42, .80

900 C ALA A 115 20. .343 58. .189 38, .003 1. .00 42, .79

901 0 ALA A 115 19. .667 57. .611 37, .150 1. .00 42, .29

902 N VAL A 116 20. .581 59, .497 37, .961 1. .00 41, .25

903 CA VAL A 116 20. .009 60, .318 36, .899 1. .00 41, .77

904 CB VAL A 116 20. .243 61, .829 37, .151 1. .00 41, .94

905 CGI VAL A 116 19. .929 62, .165 38, .602 1. .00 42, .20

906 CG2 VAL A 116 21. .661 62, .214 36, .793 1. .00 43 .57

907 C VAL A 116 20. .534 59, .953 35, .513 1. .00 41 .23

908 0 VAL A 116 19. .812 60, .074 34, .521 1. .00 40 .39

909 N ASN A 117 21. .784 59, .507 35 .435 1. .00 40 .95

910 CA ASN A 117 22, .339 59, .133 34, .140 1. .00 41 .21

911 CB ASN A 117 23 , .828 58, .788 34, .242 1. .00 42, .02

912 CG ASN A 117 24 , .696 60, .010 34, .461 1. .00 44, .44

913 ODl ASN A 117 24, .392 61, .098 33, .971 1. .00 43, .47

914 ND2 ASN A 117 25. .795 59, .832 35, .185 1, .00 45, .57

915 C ASN A 117 21. .583 57, .938 33, .593 1. .00 40, .06

916 0 ASN A 117 21. .191 57, .925 32, .429 1. .00 38, .31

917 N HIS A 118 21. .378 56, .932 34 , .437 1. .00 40, .01

918 CA HIS A 118 20. .663 55, .743 34 .004 1. .00 39, .16

919 CB HIS A 118 20. .672 54, .675 35. .099 1. .00 37, .52

920 CG HIS A 118 19. .965 53, .416 34 , .705 1. .00 38, .05

921 CD2 HIS A 118 20. .365 52, .375 33, .937 1. .00 38, .00

922 NDl HIS A 118 18. .658 53 , .153 35, .058 1. .00 38, .12

923 CEl HIS A 118 18. .284 52, .003 34 , .525 1. .00 39, .16

924 NE2 HIS A 118 19. .300 51, .511 33 , .838 1. .00 38, .44 925 C HIS A 118 19.226 56.078 33.617 1.00 38.71 926 O HIS A 118 18.712 55.574 32.617 1.00 40.49 927 N ILE A 119 18.586 56.936 34.405 1.00 38.23

928 CA ILE A 119 17.211 57.343 34.136 1.00 37.69

929 CB ILE A 119 16.701 58.332 35.217 1.00 37.54

930 CG2 ILE A 119 15.381 58.953 34.787 1.00 37.70

931 CGI ILE A 119 16.542 57.605 36.554 1.00 37.49

932 CDl ILE A 119 16.120 58.509 37.698 1.00 37.25

933 C ILE A 119 17.106 58.003 32.763 1.00 38.52

934 0 ILE A 119 16.165 57.742 32.003 1.00 37.08

935 N ARG A 120 18.072 58.862 32.446 1.00 38.05

936 CA ARG A 120 18.069 59.550 31.160 1.00 36.45

937 CB ARG A 120 19.162 60.628 31.119 1.00 39.86

938 CG ARG A 120 18.929 61.803 32.068 1.00 44.39

939 CD ARG A 120 19.998 62.876 31.889 1.00 48.90

940 NE ARG A 120 19.995 63.870 32.961 1.00 53.45

941 CZ ARG A 120 19.029 64.761 33.165 1.00 56.03

942 NHl ARG A 120 17.969 64.796 32.368 1.00 57.26

943 NH2 ARG A 120 19.126 65.623 34.170 1.00 56.78

944 C ARG A 120 18.267 58.565 30.011 1.00 33.28

945 0 ARG A 120 17.709 58.752 28.932 1.00 32.73

946 N SER A 121 19.055 57.517 30.243 1.00 30.52

947 CA SER A 121 19.304 56.521 29.207 1.00 30.89

948 CB SER A 121 20.527 55.662 29.552 1.00 31.05

949 OG SER A 121 20.266 54.782 30.631 1.00 31.51

950 C SER A 121 18.082 55.624 29.032 1.00 31.11

951 0 SER A 121 17.819 55.126 27.936 1.00 29.68

952 N VAL A 122 17.341 55.408 30.116 1.00 31.11

953 CA VAL A 122 16.134 54.591 30.031 1.00 29.63

954 CB VAL A 122 15.553 54.293 31.428 1.00 31.17

955 CGI VAL A 122 14.164 53.667 31.300 1.00 29.26

956 CG2 VAL A 122 16.481 53.349 32.170 1.00 29.60

957 C VAL A 122 15.11 8 55.382 29.216 1.00 29.44

958 0 VAL A 122 14.428 54.833 28.355 1.00 29.72

959 N TRP A 123 15.054 56.684 29.483 1.00 27.86

960 CA TRP A 123 14.135 57.568 28.789 1.00 29.08

961 CB TRP A 123 14.194 58.962 29.413 1.00 29.25 962 CG TRP A 123 13.234 59.919 28.806 1..00 31..12

963 CD2 TRP A 123 11.849 60.071 29.141 1. .00 33. .31

964 CE2 TRP A 123 11.328 61.087 28.309 1. .00 33. .50

965 CE3 TRP A 123 10.995 59.444 30.063 1. .00 32. .69

966 CDl TRP A 123 13.490 60.817 27.814 1. .00 31. .64

967 NEl TRP A 123 12.353 61.525 27.511 1. .00 32. .81

968 CZ2 TRP A 123 9.988 61.498 28.372 1. .00 32. .71

969 CZ3 TRP A 123 9.662 59.851 30.126 1, .00 31. .26

970 CH2 TRP A 123 9.174 60.869 29.285 1. .00 31. .85

971 C TRP A 123 14.447 57.649 27.298 1, .00 31. .82

972 0 TRP A 123 13.549 57.560 26.458 1, .00 30, .98

973 N LYS A 124 15.725 57.822 26.971 1, .00 33, .95

974 CA LYS A 124 16.144 57.904 25.580 1. .00 33, .76

975 CB LYS A 124 17.652 58.154 25.496 1, .00 37, .72

976 CG LYS A 124 18.178 58.285 24.077 1. .00 42, .60

977 CD LYS A 124 19.683 58.476 24.066 1. .00 47, .08

978 CE LYS A 124 20.217 58.561 22.644 1, .00 49, .92

979 NZ LYS A 124 21.699 58.649 22.620 1. .00 52, .97

980 C LYS A 124 15.787 56.599 24.874 1. .00 32, .03

981 0 LYS A 124 15.370 56.603 23.715 1. .00 31, .46

982 N ASP A 125 15.950 55.482 25.577 1.00 30.27

983 CA ASP A 125 15.627 54.184 25.000 1.00 31.05

984 CB ASP A 125 16.122 53.060 25.919 1.00 31.29

985 CG ASP A 125 15.698 51.680 25.439 1.00 34.11

986 ODl ASP A 125 14.646 51.189 25.897 1.00 31.46

987 OD2 ASP A 125 16.409 51.088 24.597 1.00 33.25

988 C ASP A 125 1144..111199 5544..005566 24.740 1.00 30.66

989 0 ASP A 125 13.704 53.408 23.784 1.00 31.52

990 N LEU A 126 13.303 54.680 25.584 1.00 30.85

991 CA LEU A 126 11.852 54.640 25.404 1.00 29.98

992 CB LEU A 126 11.139 55.275 26.603 1.00 27.09

993 CG LEU A 126 11.118 54.468 27.907 1.00 27.02

994 CDl LEU A 126 10.481 55.295 29.009 1.00 26.56

995 CD2 LEU A 126 10.348 53.165 27.690 1.00 26.44

996 C LEU A 126 11.470 55.403 24.139 1.00 31.27

997 0 LEU A 126 10.522 55.042 23.438 1.00 30.64

998 N LEU A 127 12 . 216 56 . 463 23.853 1.00 30.36 999 CA LEU A 127 11.946 57.284 22.679 1.00 31.94

1000 CB LEU A 127 12.608 58.660 22.836 1.00 31.46

1001 CG LEU A 127 12.147 59.534 24.004 1.00 32.54

1002 CDl LEU A 127 12.922 60.846 23.998 1.00 33.12 1003 CD2 LEU A 127 10.655 59.806 23.887 1.00 32.25

1004 C LEU A 127 12.435 56.638 21.386 1.00 31.89

1005 0 LEU A 127 11.860 56.852 20.321 1.00 32.24

1006 N GLU A 128 13.485 55.834 21.484 1.00 33.36

1007 CA GLU A 128 14.060 55.204 20.303 1.00 34.56 1008 CB GLU A 128 15.590 55.219 20.413 1.00 37.01

1009 CG GLU A 128 16.132 56.583 20.838 1.00 43.45

1010 CD GLU A 128 17.644 56.697 20.741 1.00 46.82

1011 OEl GLU A 128 18.355 55.762 21.175 1.00 47.93

1012 OE2 GLU A 128 18.121 57.737 20.239 1.00 49.75 1013 C GLU A 128 13.566 53.788 20.050 1.00 34.29

1014 0 GLU A 128 13.732 53.259 18.949 1.00 34.62

1015 N ASP A 129 12.956 53.177 21.061 1.00 32.38

1016 CA ASP A 129 12.447 51.818 20.927 1.00 31.80

1017 CB ASP A 129 1133..335566 5500..884499 21.694 1.00 31.08 1018 CG ASP A 129 12.890 49.408 21.605 1.00 30.56

1019 ODl ASP A 129 13.669 48.512 21.986 1.00 27.85

1020 OD2 ASP A 129 11.749 49.166 21.163 1.00 31.12

1021 C ASP A 129 11.016 51.755 21.460 1.00 31.89

1022 O ASP A 129 10.756 52.140 22.602 1.00 30.31 1023 N THR A 130 10.095 51.272 20.629 1.00 30.04

1024 CA THR A 130 8.692 51.186 21.018 1.00 27.97

1025 CB THR A 130 7.820 52.102 20.122 1.00 28.15

1026 OGl THR A 130 7.860 51.632 18.768 1.00 29.31

1027 CG2 THR A 130 8.333 53.526 20.161 1.00 31.05 1028 C THR A 130 8.128 49.771 20.939 1.00 26.29

1029 O THR A 130 6.914 49.593 20.966 1.00 25.09

1030 N ASP A 131 9.001 48.770 20.869 1.00 24.41

1031 CA ASP A 131 8.559 47.383 20.742 1.00 24.93

1032 CB ASP A 131 8.867 46.882 19.327 1.00 26.67 1033 CG ASP A 131 8.051 47.590 18.264 1.00 28.55

1034 ODl ASP A 131 6.935 47.125 17.955 1.00 28.63

1035 OD2 ASP A 131 8.522 48.616 17.742 1.00 30.51 1036 C ASP A 131 9..112 46,.358 21..736 1..00 24,.74

1037 0 ASP A 131 8. .388 45, .460 22. .158 1. .00 25, .07

1038 N THR A 132 10. .386 46, .469 22. .096 1. .00 22, .33

1039 CA THR A 132 10. .995 45, .499 22. .999 1. .00 21, .51

1040 CB THR A 132 12. .497 45. .793 23. .191 1. .00 23, .10

1041 OGl THR A 132 13. .095 46. .048 21. .911 1. .00 25, .82

1042 CG2 THR A 132 13. .192 44. .598 23. .836 1. .00 19, .99

1043 C THR A 132 10. .313 45. .466 24. .365 1. .00 22, .00

1044 0 THR A 132 10. .324 46. .456 25. .100 1. .00 24, .13

1045 N PRO A 133 9. .709 44. .323 24 , .722 1. .00 22, .80

1046 CD PRO A 133 9. .575 43. .065 23. .967 1. .00 20, .35

1047 CA PRO A 133 9. .032 44 .225 26, .020 1. .00 22, .69

1048 CB PRO A 133 8. .589 42, .762 26, .072 1. .00 23. .77

1049 CG PRO A 133 8. .366 42 .425 24, .631 1. .00 22, .19

1050 C PRO A 133 9. .977 44 , .571 27, .162 1. .00 24 , .87

1051 0 PRO A 133 11. .128 44 , .127 27 .185 1. .00 25, .03

1052 N ILE A 134 9. .490 45, .373 28 .101 1. .00 24, .31

1053 CA ILE A 134 10. .290 45 .758 29 .251 1. .00 24 , .66

1054 CB ILE A 134 9. .863 47 .138 29 .756 1. .00 23, .91

1055 CG2 ILE A 134 10. .340 47 .351 31 .188 1. .00 26. .39

1056 CGI ILE A 134 10. .418 48, .200 28 .798 1. .00 19, .60

1057 CDl ILE A 134 9. .940 49 .605 29 .074 1. .00 20, .69

1058 C ILE A 134 10. .121 44 .692 30 .330 1. .00 26, .27

1059 0 ILE A 134 9. .012 44 .223 30 .593 1. .00 24 , .29

1060 N GLN A 135 11. .229 44 .293 30 .942 1. .00 24 , .64

1061 CA GLN A 135 11. .176 43, .247 31, .948 1. .00 25, .73

1062 CB GLN A 135 12. .567 42, .639 32, .121 1. .00 30. .19

1063 CG GLN A 135 12. .601 41, .413 32, .997 1. .00 34. .42

1064 CD GLN A 135 13. .921 40, .685 32, .898 1. .00 39. .49

1065 OEl GLN A 135 14. .173 39, .953 31, .937 1. .00 39. .80

1066 NE2 GLN A 135 14. .784 40, .893 33, .887 1. .00 40. .00

1067 C GLN A 135 10. .620 43 , .708 33 , .293 1. .00 23. .82

1068 0 GLN A 135 10. .804 44 , .856 33 , .701 1. .00 23. .41

1069 N THR A 136 9. .910 42, .808 33 , .966 1. .00 22. .50

1070 CA THR A 136 9. .332 43 , .111 35, .270 1. .00 23. .07

1071 CB THR A 136 7. .786 43 , .203 35, .229 1. .00 23. .24

1072 OGl THR A 136 7. .251 41, .935 34 , .825 1. .00 22. .63 1073 CG2 THR A 136 7.328 44.288 34.272 1.00 20.01

1074 C THR A 136 9.663 42.008 36.253 1.00 22.25

1075 O THR A 136 10.116 40.923 35.872 1.00 25.09

1076 N THR A 137 9.419 42.296 37.524 1.00 22.28

1077 CA THR A 137 9.640 41.338 38.591 1.00 21.57

1078 CB THR A 137 10.536 41.924 39.696 1.00 22.31

1079 OGl THR A 137 11.778 42.367 39.128 1.00 25.35

1080 CG2 THR A 137 10. .806 4400..887777 40.759 1.00 21.29

1081 C THR A 137 8. .282 4411..003311 39.211 1.00 23.20 1082 O THR A 137 7. .446 41.929 39.361 1.00 22.01

1083 N ILE A 138 8. .043 3399..776688 39.540 1.00 21.95

1084 CA ILE A 138 6, .792 3399..441177 40.190 1.00 23.74

1085 CB ILE A 138 6, .003 3388..332255 39.420 1.00 23.33

1086 CG2 ILE A 138 6.836 37.056 39.291 1.00 23.19

1087 CGI ILE A 138 4.681 38.045 40.146 1.00 24.24

1088 CDl ILE A 138 3. .701 37, .204 39 .338 1, .00 20, .15

1089 C ILE A 138 7 .146 38, .929 41 .590 1, .00 25, .80

1090 O ILE A 138 8 .081 38, .133 41 .766 1, .00 24 , .34

1091 N MET A 139 6 .414 39, .440 42 .576 1, .00 24. .38

1092 CA MET A 139 6. .619 39, .101 43 .982 1, .00 25. .86

1093 CB MET A 139 7 .291 40. .270 44 .708 1, .00 27. .77

1094 CG MET A 139 8. .661 40, .645 44 .193 1, .00 29, .62

1095 SD MET A 139 9 .893 39, .483 44 .752 1, .00 35, .79

1096 CE MET A 139 10 .414 40. .275 46 .278 1, .00 34. .38

1097 C MET A 139 5 .276 38, .838 44 .662 1, .00 25. .69 1098 O MET A 139 4, .240 39. .323 44. .210 1 , .00 22. .54 1099 N ALA A 140 5, .305 38. .074 45. .750 1, .00 24. .51

1100 CA ALA A 140 4.099 37.796 46.517 1.00 25.18

1101 CB ALA A 140 4.187 36.418 47.175 1.00 26.49

1102 C ALA A 140 4.020 38.880 47.588 1.00 26.07 1103 O ALA A 140 4.973 39.079 48.342 1.00 27.39 1104 N LYS A 141 2.902 39.596 47.645 1.00 26.78

1105 CA LYS A 141 2.736 40.637 48.655 1.00 29.14

1106 CB LYS A 141 1.507 41.502 48.362 1.00 32.55

1107 CG LYS A 141 1.638 42.434 47.175 1.00 38.58

1108 CD LYS A 141 0.398 43.305 47.027 1.00 42.89

1109 CE LYS A 141 0.579 44.342 45.921 1.00 48.27 1110 NZ LYS A 141 0..609 45..231 45..751 1,.00 49..17

1111 C LYS A 141 2. .560 40. .002 50. .029 1, .00 27. .25

1112 O LYS A 141 1. .904 38, .975 50. .168 1 , .00 27 .99

1113 N ASN A 142 3. .164 40, .605 51. .043 1 , .00 25. .95 1114 CA ASN A 142 3. .020 40, .105 52. .400 1 , .00 27. .09

1115 CB ASN A 142 4. .369 40, .086 53. .129 1. .00 26. .50

1116 CG ASN A 142 5. .326 39. .036 52. .572 1. .00 31. .31

1117 ODl ASN A 142 6, .108 38 .446 53, .314 1 .00 36 .47

1118 ND2 ASN A 142 5. .274 38 .809 51, .263 1. .00 32 .06 1119 C ASN A 142 2. .061 41 .072 53, .082 1, .00 26 .38

1120 O ASN A 142 2, .443 42 .188 53, .430 1, .00 27 .16

1121 N GLU A 143 0. .810 40 .656 53, .240 1, .00 24 .34

1122 CA GLU A 143 0. .197 41 .503 53, .876 1, .00 24 .78

1123 CB GLU A 143 1, .243 41 .960 52, .864 1, .00 25 .53 11112244 CG GLU A 143 0. .673 42 .636 51, .633 1, .00 29 .89 1125 CD GLU A 143 1. .750 42 .970 50, .625 1, .00 31 .28 1126 OEl GLU A 143 2. .230 44 .119 50, .627 1 , .00 33 .97

1127 OE2 GLU A 143 2. .130 42 .072 49, .844 1, .00 32 .67

1128 C GLU A 143 0. .884 40 .724 54, .979 1 , .00 23 .68

1129 O GLU A 143 1. .029 39 .504 54 , .887 1, .00 21 .20 1130 N VAL A 144 1. .322 41 .445 56, .007 1, .00 23 .31 1131 CA VAL A 144 1, .969 40 .838 57, .163 1 , .00 23 .36 1132 CB VAL A 144 1, .540 41 .568 58, .456 1, .00 23 .78 1133 CGI VAL A 144 2. .333 41 .041 59, .655 1 , .00 22, .76 11113344 CG2 VAL A 144 0, .045 41 .365 58, .681 1, .00 25, .22 1135 C VAL A 144 3 , .494 40, .791 57. .107 1 , .00 25, .26 1136 O VAL A 144 4. .146 41, .748 56. .691 1. .00 22, .99 1137 N PHE A 145 4. .051 39, .658 57. .527 1. .00 24 , .77

1138 CA PHE A 145 5. .498 39, .469 57. .565 1. .00 25, .33 1139 CB PHE A 145 6. .002 38, .725 56. .315 1. .00 27. .39

1140 CG PHE A 145 5. .734 39, .448 55. .017 1. .00 26. .60

1141 CDl PHE A 145 4. .567 39, .206 54. .298 1. .00 26. .96

1142 CD2 PHE A 145 6. .636 40, .392 54. .533 1. .00 26. .64

1143 CEl PHE A 145 4. .299 39. .896 53. .110 1. .00 27. .72 1144 CE2 PHE A 145 6. .381 41. .088 53. .348 1. .00 26. .75

1145 CZ PHE A 145 5. .210 40. .841 52. .635 1. .00 27, .07

1146 C PHE A 145 5, .850 38. .651 58. .806 1. .00 25, .08 1147 O PHE A 145 -4..971 38.261 59, .576 1.00 24.95

1148 N CYS A 146 -7. .140 38 .411 59. .001 1.00 25.59

1149 CA CYS A 146 -7. .609 37 .615 60. .126 1.00 28.18

1150 CB CYS A 146 -8. .716 38. .345 60. .890 1.00 26.80 1151 SG CYS A 146 -9. .511 37, .322 62. .176 1.00 29.72

1152 C CYS A 146 -8. .161 36, .314 59. .557 1.00 30.33

1153 O CYS A 146 -8. .884 36, .329 58. .559 1.00 27.43

1154 N VAL A 147 -7. .801 35 .197 60. .181 1.00 34.69

1155 CA VAL A 147 -8, .266 33 .891 59, .737 1.00 43.85 1156 CB VAL A 147 -7, .731 32 .760 60, .654 1.00 43.02

1157 CGI VAL A 147 -8. .301 31 .418 60, .223 1.00 43.97

1158 CG2 VAL A 147 -6. .212 32 .722 60, .599 1.00 42.25

1159 C VAL A 147 -9.786 33.878 59.771 1.00 49.66

1160 O VAL A 147 •10.398 34.533 60.610 1.00 49.87 1161 N GLN A 148 ^■10.395 33.141 58.853 1.00 58.62

1162 CA GLN A 148 ^■11.844 33.061 58.809 1.00 68.63

1163 CB GLN A 148 ^■12.421 34.381 58.295 1.00 70.10

1164 CG GLN A 148 ^•12.858 35.309 59.426 1.00 73.70

1165 CD GLN A 148 -12.675 36.780 59.108 1.00 75.25 1166 OEl GLN A 148 -13.138 37.646 59.854 1.00 74.78

1167 NE2 GLN A 148 -11.987 37.072 58.007 1.00 74.76

1168 C GLN A 148 -12.332 31.888 57.972 1.00 74.56 1169 O GLN A 148 -12.558 32.017 56.768 1.00 75.78 1170 N PRO A 149 -12.493 30.718 58.613 1.00 80.51

1171 CD PRO A 149 -12.141 30.499 60.028 1.00 82.22

1172 CA PRO A 149 -12.951 29.467 57.999 1.00 84.94

1173 CB PRO A 149 -13.041 28.517 59.189 1.00 84.86 1174 CG PRO A 149 -11.942 29.004 60.079 1.00 83.82 1175 C PRO A 149 ^■14.283 29.604 57.267 1.00 88.50 11117766 O PRO A 149 -14.622 28.776 56.422 1.00 89.20 1177 N GLU A 150 -15.033 30.652 57.597 1.00 91.89

1178 CA GLU A 150 -16.326 30.899 56.970 1.00 94.54

1179 CB GLU A 150 -16.983 32.151 57.565 1.00 96.43

1180 CG GLU A 150 -16.033 33.308 57.837 1.00 98.54 1181 CD GLU A 150 -15.395 33.231 59.216 1.00 99.85

1182 OEl GLU A 150 -14.683 32.244 59.499 1.00100.00

1183 OE2 GLU A 150 -15.611 34.162 60.021 1.00100.00 1184 C GLU A 150 -16,.209 31..053 55..458 1..00 94..93

1185 0 GLU A 150 -17, .213 31. .029 54 , .744 1. .00 95 .60

1186 N LYS A 151 -14 , .982 31. .214 54. .973 1. .00 94, .34

1187 CA LYS A 151 -14 , .745 31. .359 53, .543 1. .00 93, .21

1188 CB LYS A 151 -14 , .345 32. .802 53, .211 1. .00 95, .29

1189 CG LYS A 151 -15, .524 33. .736 52, .933 1. .00 97, .42

1190 CD LYS A 151 -16, .034 33. .620 51, .490 1. .00 99, .12

1191 CE LYS A 151 -16, .561 32. .226 51, .159 1. .00 99, .69

1192 NZ LYS A 151 -17, .054 32. .123 49 .757 1. .00 99, .96

1193 C LYS A 151 -13, .683 30. .392 53 .035 1. .00 90, .71

1194 0 LYS A 151 -13, .604 30. .120 51 .837 1. .00 91, .81

1195 N GLY A 152 -12, .872 29. .867 53 .946 1. .00 86, .83

1196 CA GLY A 152 -11, .840 28. .931 53 .542 1. .00 81, .34

1197 C GLY A 152 -10, .526 29, .146 54 .260 1. .00 77, .24

1198 0 GLY A 152 -9, .457 28, .972 53 .678 1. .00 77, .42

1199 N GLY A 153 -10, .603 29, .530 55 .528 1. .00 73, .25

1200 CA GLY A 153 -9, .396 29. .749 56 .300 1. .00 67, .12

1201 C GLY A 153 55.915 1.00 62.53

1202 O GLY A 153 ^■ 8 . 971 32 . 103 56.317 1.00 62.42

1203 N ARG A 154 ^■ 7 . 560 30 . 815 55.126 1.00 57.27 1204 CA ARG A 154 -6.716 31.936 54.723 1.00 51.52

1205 CB ARG A 154 -5.284 31.688 55.194 1.00 52.77

1206 CG ARG A 154 ^■ 5 . 187 31 . 372 56.670 1.00 52.94

1207 CD ARG A 154 • 3 . 748 31.215 57.107 1.00 55.34

1208 NE ARG A 154 • 3 . 661 30.916 58.531 1.00 57.47

1209 CZ ARG A 154 2.526 30.872 59.219 1.00 58.73

1210 NHl ARG A 154 -1.370 31.109 58 . 611 1.00 58.66

1211 NH2 ARG A 154 -2.549 30.596 60 . 517 1.00 58.62

1212 C ARG A 154 -6.704 32.250 53.232 1.00 47.06

1213 O ARG A 154 -6.958 31.387 52.393 1.00 46.39

1214 N LYS A 155 -6.393 33.503 52.923 1.00 41.43

1215 CA LYS A 155 -6.324 33.985 51.549 1.00 37.65

1216 CB LYS A 155 -6.697 35.471 51.495 1.00 39.09

1217 CG LYS A 155 -7.951 35.842 52.271 1.00 40.64

1218 CD LYS A 155 -7.836 37.232 52.886 1.00 42.61

1219 CE LYS A 155 -7.759 38.327 51.838 1.00 41.57

1220 NZ LYS A 155 -9.047 38.489 51.115 1.00 47.47 1221 C LYS A 155 ■4.886 33.840 51.057 1.00 34.26 1222 O LYS A 155 -3.941 34.032 51.824 1.00 31.41 1223 N PRO A 156 4 .702 33. .485 49, .775 1, .00 30. .68 1224 CD PRO A 156 5. .697 32. .940 48, .836 1. .00 31. .75 1225 CA PRO A 156 3. .348 33. .342 49, .233 1, .00 28. .87 1226 CB PRO A 156 3. .578 32. .652 47, .887 1. .00 28. .82

1227 CG PRO A 156 4. .882 31, .926 48, .082 1. .00 31, .93

1228 C PRO A 156 2, .797 34 , .750 49, .047 1. .00 25, .60

1229 O PRO A 156 3, .559 35, .716 48, .986 1. .00 25, .84

1230 N ALA A 157 i, .481 34 , .875 48, .954 1. .00 24 , .72

1231 CA ALA A 157 0. .868 36, .182 48, .764 1. .00 23, .63

1232 CB ALA A 157 0, .651 36, .050 48, .778 1. .00 24 , .39

1233 C ALA A 157 1, .302 36, .813 47, .449 1. .00 23. .67 1234 O ALA A 157 1. .546 36, .115 46, .474 1. .00 23. .79 1235 N ARG A 158 1 .426 38 .135 47 .432 1. .00 24. .10 1236 CA ARG A 158 1 .747 38, .821 46 .195 1. .00 23. .36

1237 CB ARG A 158 2 .307 40, .216 46, .455 1. .00 26. .73

1238 CG ARG A 158 3 .741 40, .240 46 .969 1. .00 31, .92

1239 CD ARG A 158 4 .333 41, .634 46 .818 1. .00 36, .37

1240 NE ARG A 158 ^■3.594 42.632 47.585 1.00 38.94

1241 CZ ARG A 158 ^■3.757 43.946 47.458 1.00 41.71

1242 NHl ARG A 158 -4 , .635 44 .428 46, .586 1. .00 41 .22

1243 NH2 ARG A 158 -3, .050 44 .781 48, .209 1. .00 39 .57

1244 C ARG A 158 -0. .388 38 .944 45, .507 1. .00 24. .80

1245 O ARG A 158 0. .648 38 .754 46, .146 1. .00 25, .12

1246 N LEU A 159 -0. .387 39 .246 44. .216 1. .00 23, .25

1247 CA LEU A 159 0. .860 39. .395 43 , .483 1. .00 23, .99

1248 CB LEU A 159 0. .816 38, .564 42. .201 1. .00 24 , .29

1249 CG LEU A 159 0. .566 37 .063 42. .372 1, .00 27 .31

1250 CDl LEU A 159 0. .429 36 .410 41, .013 1. .00 29 .55

1251 CD2 LEU A 159 1. .700 36 .437 43 , .159 1. .00 30 .19

1252 C LEU A 159 1. .111 40 .855 43 , .125 1. .00 24 .94

1253 O LEU A 159 0. .172 41 .639 42, .962 1. .00 25, .74

1254 N ILE A 160 2. .383 41 .224 43, .021 1. .00 22, .90

1255 CA ILE A 160 2. .747 42, .584 42. .636 1. .00 22, .29

1256 CB ILE A 160 3. .349 43, .385 43. .836 1. .00 24 , .58

1257 CG2 ILE A 160 4. .618 42, .720 44. .349 1. .00 26, .68 1258 CGI ILE A 160 3.649 44.822 43.413 1.00 26.09

1259 CDl ILE A 160 2.418 45.635 43.067 1.00 31.26

1260 C ILE A 160 3.764 42.428 41.504 1.00 22.58

1261 O ILE A 160 4.758 41.708 41.649 1.00 22.32

1262 N VAL A 161 3.477 43.066 40.369 1.00 19.34

1263 CA VAL A 161 4.327 43.010 39.177 1.00 21.72

1264 CB VAL A 161 3.548 42.436 37.973 1.00 22.82

1265 CGI VAL A 161 4.406 42.478 36.705 1.00 19.86

1266 CG2 VAL A 161 3.126 41.005 38.282 1.00 21.21

1267 C VAL A 161 4 , .779 44, .427 38, .862 1. .00 23 .34

1268 0 VAL A 161 3, .969 45, .285 38, .519 1, .00 21 .67

1269 N PHE A 162 6. .083 44 , .667 38, .969 1, .00 23 .29

1270 CA PHE A 162 6, .620 46, .002 38, .759 1, .00 21 .57

1271 CB PHE A 162 6. .840 46, .656 40, .127 1. .00 23 .66

1272 CG PHE A 162 7, .819 45, .908 41, .008 1, .00 23 .52

1273 CDl PHE A 162 9. .170 46, .266 41, .035 1. .00 24 .57

1274 CD2 PHE A 162 7, .401 44, .822 41, .774 1. .00 22 .69

1275 CEl PHE A 162 10. .092 45, .551 41, .811 1, .00 23 .78

1276 CE2 PHE A 162 8, .310 44 , .096 42, .554 1, .00 25 .45

1277 CZ PHE A 162 9. .664 44, .464 42, .571 1, .00 25 .14

1278 C PHE A 162 7. .926 46, .035 37, .966 1. .00 23 .36

1279 0 PHE A 162 8. .726 45, .091 38, .009 1. .00 22 .40

1280 N PRO A 163 8, .152 47, .129 37, .224 1. .00 23 .18

1281 CD PRO A 163 7. .213 48, .239 36, .985 1. .00 21 .34

1282 CA PRO A 163 9. .368 47, .297 36, .423 1. .00 22 .62

1283 CB PRO A 163 8. .934 48, .294 35, .362 1. .00 21 .41

1284 CG PRO A 163 8. .048 49, .206 36. .140 1. .00 20 .98

1285 C PRO A 163 10. .471 47, .863 37. .323 1. .00 23 .60

1286 0 PRO A 163 10. .207 48, .230 38. .470 1. .00 22 .88

1287 N ASP A 164 11. .690 47. .944 36. .793 1. .00 23 .80

1288 CA ASP A 164 12. .837 48. .459 37. .541 1. .00 22 .82

1289 CB ASP A 164 14. .128 48. .247 36. .731 1. .00 24 .49

1290 CG ASP A 164 15. .382 48. .618 37. .519 1. .00 25. .34

1291 ODl ASP A 164 15. .919 49. .730 37. .325 1. .00 26. .29

1292 OD2 ASP A 164 15. .818 47. .795 38. .346 1. .00 24. .49

1293 C ASP A 164 12. .686 49. .932 37. .903 1. .00 23 .64

1294 0 ASP A 164 11. .977 50, .682 37. .233 1. .00 23 .76 1295 N LEU A 165 13.366 50.337 38.973 1.00 24.92 1296 CA LEU A 165 13.328 51.714 39.467 1.00 24.46 1297 CB LEU A 165 14.385 51.887 40.569 1.00 26.58 1298 CG LEU A 165 14.554 53.264 41.222 1.00 26.25

1299 CDl LEU A 165 13.217 53.767 41.750 1.00 25.26

1300 CD2 LEU A 165 15.576 53.151 42.351 1.00 26.49

1301 C LEU A 165 13.536 52.761 38.372 1.00 24.44 1302 O LEU A 165 12.853 53.788 38.346 1.00 24.41 1303 N GLY A 166 14.487 52.510 37.475 1.00 26.09 1304 CA GLY A 166 14.734 53.451 36.396 1.00 24.90 1305 C GLY A 166 13.481 53.692 35.572 1.00 25.73 1306 O GLY A 166 13.117 54.837 35.272 1.00 23.87 1307 N VAL A 167 12.811 52.607 35.199 1.00 24.49 1308 CA VAL A 167 11.590 52.721 34.413 1.00 23.07

1309 CB VAL A 167 11.064 51.323 33.993 1.00 24.16

1310 CGI VAL A 167 9.677 51.447 33.339 1.00 23.80

1311 CG2 VAL A 167 12.047 50.679 33.021 1.00 22.00

1312 C VAL A 167 10.518 53.463 35.215 1.00 20.79 1313 O VAL A 167 9.812 54.305 34.671 1.00 21.88 1314 N ARG A 168 10.420 53.170 36.510 1.00 21.93 1315 CA ARG A 168 9.418 53.823 37.349 1.00 24.23 1316 CB ARG A 168 9.470 53.282 38.784 1.00 22.67 1317 CG ARG A 168 9.204 51.776 38.875 1.00 23.87 1318 CD ARG A 168 8.695 51.346 40.259 1.00 25.00

1319 NE ARG A 168 9.662 51.516 41.349 1.00 25.07

1320 CZ ARG A 168 10.676 50.690 41.604 1.00 24.71

1321 NHl ARG A 168 11.490 50.935 42.628 1.00 24.02

1322 NH2 ARG A 168 10.884 49.622 40.845 1.00 20.27

1323 C ARG A 168 9.573 55.339 37.342 1.00 24.84 1324 O ARG A 168 8.580 56.063 37.274 1.00 25.52 1325 N VAL A 169 10.811 55.828 37.405 1.00 24.90 1326 CA VAL A 169 11.034 57.273 37.374 1.00 24.92 1327 CB VAL A 169 12.528 57.633 37.588 1.00 27.88 1328 CGI VAL A 169 12.715 59.130 37.454 1.00 29.21

1329 CG2 VAL A 169 12.990 57.163 38.965 1.00 28.31

1330 C VAL A 169 10.577 57.828 36.022 1.00 25.18

1331 O VAL A 169 9.955 58.891 35.956 1.00 25.06 1332 N CYS A 170 10..880 57.,107 34..943 1..00 24..51

1333 CA CYS A 170 10. .461 57. .541 33. .610 1. .00 25. .20

1334 CB CYS A 170 11. .044 56. .616 32. .534 1. .00 26. .27

1335 SG CYS A 170 12. .840 56. .828 32. .262 1. .00 31. .07

1336 C CYS A 170 8, .929 57. .564 33. .513 1. .00 25, .89

1337 O CYS A 170 8. .352 58. .445 32. .866 1. .00 25, .01

1338 N GLU A 171 8. .267 56. .600 34. .151 1. .00 24 , .13

1339 CA GLU A 171 6, .803 56. .573 34. .131 1. .00 22, .57

1340 CB GLU A 171 6. .254 55. .423 34. .980 1. .00 22, .03

1341 CG GLU A 171 6, .496 54. .021 34 , .426 1. .00 21, .39

1342 CD GLU A 171 5. .718 52. .972 35. .210 1. .00 22, .41

1343 OEl GLU A 171 6, .346 52. .158 35, .929 1. .00 19, .61

1344 OE2 GLU A 171 4. .467 52, .979 35, .114 1. .00 21, .29

1345 C GLU A 171 6. .290 57, .889 34, .704 1. .00 23, .95 1346 O GLU A 171 5, .388 58, .519 34. .145 1. .00 25, .89 1347 N LYS A 172 6. .873 58, .301 35. .827 1. .00 24 , .02

1348 CA LYS A 172 6. .478 59, .543 36 .479 1. .00 23, .00

1349 CB LYS A 172 7. .314 59, .767 37 .744 1. .00 23, .90

1350 CG LYS A 172 7, .100 58, .742 38 .852 1, .00 24 , .87 1351 CD LYS A 172 8, .073 58, .981 40 .006 1. .00 26, .76 1352 CE LYS A 172 7, .688 58, .181 41 .247 1. .00 26, .72 1353 NZ LYS A 172 7, .760 56, .709 41 .019 1. .00 24 , .07 1354 C LYS A 172 6, .642 60. .742 35 .544 1, .00 24, .77 1355 O LYS A 172 5, .750 61. .586 35 .437 1, .00 24, .51 1356 N MET A 173 7, .783 60. .822 34 .865 1, .00 25, .76 1357 CA MET A 173 8, .028 61, .947 33 .962 1 , .00 26, .24

1358 CB MET A 173 9, .428 61, .847 33 .341 1. .00 27, .72

1359 CG MET A 173 10, .563 62, .030 34 .341 1. .00 31, .88

1360 SD MET A 173 12, .183 62, .094 33 .545 1, .00 36, .49

1361 CE MET A 173 12, .557 60, .390 33 .398 1. .00 31, .94

1362 C MET A 173 7, .000 62, .028 32 .847 1. .00 25, .26

1363 O MET A 173 6, .526 63 , .108 32 .492 1. .00 25, .02

1364 N ALA A 174 6, .648 60, .875 32 .300 1. .00 25, .07

1365 CA ALA A 174 5, .702 60, .826 31 .199 1. .00 24 , .71

1366 CB ALA A 174 5, .941 59, .556 30 .392 1 , .00 24. .04

1367 C ALA A 174 4 , .227 60, .904 31 .570 1. .00 25, .71

1368 O ALA A 174 3.442 61.549 30.867 1.00 25.14 1369 N LEU A 175 3.854 60.280 32.683 1 . 00 26 . 12

1370 CA LEU A 175 2.443 60.197 33.044 1 . 00 26 . 06

1371 CB LEU A 175 1.993 58.748 32.827 1 . 00 25 . 96

1372 CG LEU A 175 2.018 58.258 31.377 1 . 00 25 . 30

1373 CDl LEU A 175 2.282 56.761 31.308 1 . 00 23 . 18

1374 CD2 LEU A 175 0.689 58.609 30.726 1 . 00 24 . 03

1375 C LEU A 175 1.940 60.657 34.405 1 . 00 26 . 59

1376 O LEU A 175 0.739 60.543 34.670 1.00 28.50

1377 N TYR A 176 2.810 61.168 35.271 1.00 25.12

1378 CA TYR A 176 2, .335 61. .593 36. .582 1. .00 26. .74

1379 CB TYR A 176 3, .459 62. .197 37, .423 1. .00 26. .99

1380 CG TYR A 176 2, .990 62. .658 38. .788 1. .00 27. .23

1381 CDl TYR A 176 2, .702 61. .739 39, .800 1. .00 26. .91

1382 CEl TYR A 176 2, .256 62. .165 41, .057 1. .00 28, .01

1383 CD2 TYR A 176 2, .818 64. .016 39, .064 1. .00 27, .83

1384 CE2 TYR A 176 2, .374 64 , .450 40, .312 1. .00 28, .46

1385 CZ TYR A 176 2, .096 63. .522 41, .302 1. .00 29, .72

1386 OH TYR A 176 1, .668 63. .959 42, .534 1. .00 29, .61

1387 C TYR A 176 1. .214 62, .611 36 .458 1. .00 27, .60

1388 0 TYR A 176 0, .171 62, .484 37, .100 1. .00 26, .02

1389 N ASP A 177 1 .427 63, .620 35 .626 1. .00 28, .24

1390 CA ASP A 177 0, .424 64, .655 35 .448 1. .00 28, .95

1391 CB ASP A 177 0 .954 65, .754 34 .522 1, .00 32, .06

1392 CG ASP A 177 0 .212 67, .066 34 .695 1. .00 37, .31

1393 ODl ASP A 177 0 .397 67, .977 33 .859 1. .00 40, .49

1394 OD2 ASP A 177 -0, .554 67, .189 35 .674 1. .00 39, .01

1395 C ASP A 177 -0, .863 64, .065 34 .876 1. .00 27, .82

1396 0 ASP A 177 -1, .959 64, .402 35 .318 1. .00 27, .68

1397 N VAL A 178 -0, .729 63, .176 33 .898 1. .00 25. .83

1398 CA VAL A 178 -1 .900 62, .560 33 .284 1. .00 25. .58

1399 CB VAL A 178 -1, .505 61, .658 32 .092 1. .00 25. .71

1400 CGI VAL A 178 -2, .715 60, .856 31 .625 1. .00 26. .08

1401 CG2 VAL A 178 -0, .993 62, .512 30 .938 1. .00 26, .71

1402 C VAL A 178 -2, .739 61, .734 34 .266 1. .00 25. .01

1403 0 VAL A 178 -3 .959 61, .917 34 .346 1. .00 23. .86

1404 N VAL A 179 -2, .102 60, .832 35 .010 1. .00 23, .77

1405 CA VAL A 179 -2 .851 60, .001 35. .954 1. .00 25, .22 1406 CB VAL A 179 -1.989 58.841 36.516 1.00 23.62

1407 CGI VAL A 179 -1.453 57.997 35.369 1.00 23.32

1408 CG2 VAL A 179 -0.871 59.378 37.391 1.00 22.66

1409 C VAL A 179 -3.428 60.803 37.115 1.00 26.05

1410 O VAL A 179 -4.348 60.349 37.802 1.00 25.11

1411 N SER A 180 -2.903 62.007 37.319 1.00 27.20

1412 CA SER A 180 -3. .375 62, .870 38, .397 1. .00 28. .02

1413 CB SER A 180 -2. .219 63, .713 38, .946 1. .00 29. .20

1414 OG SER A 180 -1. .152 62, .905 39, .402 1. .00 29. .80 1415 C SER A 180 -4. .475 63, .818 37, .930 1. .00 28. .62 1416 O SER A 180 -5. .144 64, .448 38, .752 1, .00 29. .49 1417 N THR A 181 -4. .673 63, .914 36, .620 1. .00 28. .16 1418 CA THR A 181 -5. .660 64 .845 36, .084 1. .00 29, .56

1419 CB THR A 181 -4. .959 65 .981 35, .309 1. .00 30, .51

1420 OGl THR A 181 -3. .943 66 .566 36, .132 1. .00 36, .34

1421 CG2 THR A 181 -5. .962 67 .055 34 .918 1. .00 34 , .54

1422 C THR A 181 -6, .734 64 .281 35 .161 1. .00 27. .69

1423 O THR A 181 -7, .888 64, .700 35, .223 1. .00 26. .98

1424 N LEU A 182 -6, .351 63, .350 34 , .297 1, .00 27. .05

1425 CA LEU A 182 -7, .281 62, .777 33 , .331 1, .00 27. .62

1426 CB LEU A 182 -6, .552 61, .738 32, .465 1. .00 27, .67

1427 CG LEU A 182 -7, .368 61, .056 31, .363 1. .00 26, .06

1428 CDl LEU A 182 -7, .879 62, .096 30, .373 1, .00 25, .42

1429 CD2 LEU A 182 -6, .493 60, .025 30, .649 1. .00 28, .00

1430 C LEU A 182 -8, .568 62, .166 33, .903 1. .00 29. .11

1431 O LEU A 182 -9, .668 62, .484 33, .450 1, .00 28. .97

1432 N PRO A 183 -8, .452 61, .289 34 , .914 1, .00 29. .27

1433 CD PRO A 183 -7, .237 60, .824 35, .607 1, .00 29. .46

1434 CA PRO A 183 -9, .656 60, .671 35, .491 1. .00 29, .85

1435 CB PRO A 183 -9, .122 59, .986 36, .746 1. .00 29, .13

1436 CG PRO A 183 -7, .737 59, .577 36, .334 1. .00 30, .01

1437 C PRO A 183 -10, .819 61, .620 35, .798 1. .00 29, .39

1438 O PRO A 183 -11, .929 61, .417 35, .317 1. .00 28, .32

1439 N GLN A 184 -10, .571 62, .655 36, .591 1. .00 30, .94

1440 CA GLN A 184 -11, .653 63, .567 36, .931 1. .00 32 , .44

1441 CB GLN A 184 -11, .209 64 , .580 37, .978 1. .00 36. .90

1442 CG GLN A 184 -12. .347 65, .481 38. .417 1. .00 43. .88 1443 CD GLN A 184 11,.909 66,.508 39..423 1..00 48..91

1444 OEl GLN A 184 12, .018 67, .713 39. .182 1. .00 56. .06

1445 NE2 GLN A 184 11, .407 66. .045 40. .562 1. .00 51. .19

1446 C GLN A 184 12, .210 64. .307 35. .723 1. .00 30, .83 1447 0 GLN A 184 1133,. .441100 64, .567 35. .643 1 , .00 28, .40

1448 N ALA A 185 1111,. .334400 64, .655 34, .786 1. .00 29, .75

1449 CA ALA A 185 11, .780 65 .359 33. .594 1. .00 29, .63

1450 CB ALA A 185 10, .581 65, .715 32, .728 1 , .00 31, .12

1451 C ALA A 185 ^■ 1122,. .774499 64 .493 32, .800 1, .00 29, .63 1452 O ALA A 185 ^■ 1133,. .773333 64 .981 32, .241 1, .00 30, .46

1453 N VAL A 186 ^• 1122 . .447733 6633 . .119966 32, .763 1. .00 28, .13

1454 CA VAL A 186 ^• 1133,. .330055 6622 . .227744 32, .013 1. .00 27, .96

1455 CB VAL A 186 ^• 1122 . .550044 6611 . .001144 31, .642 1. .00 28, .32

1456 CGI VAL A 186 ^• 1133 . .443333 59 .953 31, .067 1. .00 26, .99 1457 CG2 VAL A 186 ^• 1111 . .442255 6611 . .33778 30, .631 1. .00 28, .08

1458 C VAL A 186 - 1144 . .660088 61 .840 32, .671 1. .00 27. .89

1459 0 VAL A 186 - 1155 . .665522 61 .826 32 .021 1, .00 27. .76

1460 N MET A 187 - 1144 ..556644 6611..449933 33.953 11,,..0000 2288....4488

1461 CA MET A 187 - 1155 ..777777 6611..002277 34.617 11....0000 2299....7711 1462 CB MET A 187 - 15 . 551 59.616 35.169 1. .00 32, .80

1463 CG MET A 187 - 14 . 253 59.433 35.926 1, .00 37, .13

1464 SD MET A 187 - 13 . 831 57 . 687 36.170 1 , .00 42 , .78

1465 CE MET A 187 -12.777 57.393 34.822 1, .00 38, .02

1466 C MET A 187 -16.347 61.933 35.697 1. .00 28, .79 1467 O MET A 187 -17.279 61.550 36.404 1, .00 28, .50

1468 N GLY A 188 -15.794 63.138 35.809 1. .00 27. .43

1469 CA GLY A 188 -16.272 64.100 36.786 1. .00 27. .15

1470 C GLY A 188 -16.538 63.577 38.186 1. .00 26. .77

1471 O GLY A 188 -15.673 62.970 38.814 1. .00 27. .50 1472 N SER A 189 -17.750 63.818 38.676 1. .00 26, .95

1473 CA SER A 189 18.138 63.396 40.017 1.00 26.68

1474 CB SER A 189 19.525 63.948 40.348 1.00 24.58

14 75 OG SER A 189 ^• 20 . 4 76 63.526 39.390 1.00 30.03

1476 C SER A 189 • 18 . 104 61.883 40.255 1.00 26.17 1477 O SER A 189 -18.161 61.439 41.400 1.00 26.44

14 78 N SER A 190 -18.010 61.094 39.188 1.00 26.89

14 79 CA SER A 190 -17.959 59.636 39.334 1.00 26.46 1480 CB SER A 190 -18.409 58.947 38.038 1.00 26.08

1481 OG SER A 190 -19.797 59.126 37.813 1.00 26.36

1482 C SER A 190 -16.568 59.113 39.726 1.00 26.44 1483 O SER A 190 ^■16.412 57.932 40.043 1.00 27.04 1484 N TYR A 191 ^■15.558 59.979 39.692 1.00 24.96

1485 CA TYR A 191 ^■14.203 59.566 40.059 1.00 23.38

1486 CB TYR A 191 ^■13.168 60.444 39.351 1.00 23.70

1487 CG TYR A 191 ^■11.733 60.069 39.655 1.00 24.01

1488 CDl TYR A 191 -11.262 58.770 39.422 1.00 22.25 1489 CEl TYR A 191 -9.938 58.431 39.672 1.00 21.96

1490 CD2 TYR A 191 -10.837 61.017 40.149 1.00 24.97

1491 CE2 TYR A 191 -9.509 60.688 40.399 1.00 24.77

1492 CZ TYR A 191 -9.066 59.398 40.158 1.00 23.35

1493 OH TYR A 191 -7.748 59.084 40.396 1.00 23.95

1494 C TYR A 191 -14.059 59.685 41.573 1.00 23.34

1495 O TYR A 191 -14.032 60.784 42.123 1.00 24.22

1496 N GLY A 192 -13.961 58.543 42.240 1.00 22.98

1497 CA GLY A 192 -13.879 58.524 43.691 1.00 20.34

1498 C GLY A 192 -12.685 59.110 44.419 1.00 20.30

1499 O GLY A 192 -12.845 59.628 45.522 1.00 19.59

1500 N PHE A 193 -11.495 59.051 43.825 1.00 22.05

1501 CA PHE A 193 -10.302 59.549 44.506 1.00 20.84

1502 CB PHE A 193 -9.048 59.018 43.803 1.00 21.29

1503 CG PHE A 193 -8.894 57.523 43.899 1.00 20.96

1504 CDl PHE A 193 -8.854 56.738 42.753 1.00 21.00

1505 CD2 PHE A 193 -8.776 56.904 45.139 1.00 20.92

1506 CEl PHE A 193 -8.695 55.351 42.839 1.00 18.96

1507 CE2 PHE A 193 -8.618 55.522 45.237 1.00 20.19 1508 CZ PHE A 193 -8.576 54.745 44.079 1.00 19.53 1509 C PHE A 193 -10.192 61.059 44.705 1.00 23.65

1510 O PHE A 193 -9.256 61.531 45.355 1.00 24.71 1511 N GLN A 194 -11.134 61.819 44.160 1.00 23.14

1512 CA GLN A 194 -11.111 63.269 44.337 1.00 24.25

1513 CB GLN A 194 -11.904 63.971 43.226 1.00 25.08 11551144 CG GLN A 194 -13.414 63.720 43.291 1.00 26.14 1515 CD GLN A 194 ^■14.159 64.229 42.062 1.00 29.15

1516 OEl GLN A 194 14.294 65.436 41.857 1.00 28.30 1517 NE2 GLN A 194 ■14.638 63.305 41.236 1.00 24.42

1518 C GLN A 194 •11.757 63.595 45.679 1.00 25.45

1519 O GLN A 194 ^■11.692 64.729 46.146 1.00 24.09 1520 N TYR A 195 ^■■1122..337777 62.592 46.299 1.00 23.42 1521 CA TYR A 195 -13.064 62.799 47.569 1.00 23.75

1522 CB TYR A 195 -14.424 62.092 47.568 1.00 23.70

1523 CG TYR A 195 -15.350 62.436 46.430 1.00 24.92

1524 CDl TYR A 195 -15.798 61.448 45.559 1.00 22.86 1525 CEl TYR A 195 -16.684 61.747 44.529 1.00 23.95 1526 CD2 TYR A 195 -15.811 63.739 46.243 1.00 24.63 1527 CE2 TYR A 195 -16.697 64.047 45.217 1.00 23.15

1528 CZ TYR A 195 -17.126 63.047 44.366 1.00 23.04

1529 OH TYR A 195 -17.994 63.341 43.345 1.00 25.09

1530 C TYR A 195 -12.354 62.344 48.835 1.00 24.78 1531 O TYR A 195 -11.656 61.325 48.856 1.00 25.08 1532 N SER A 196 -12.556 63.111 49.900 1.00 23.85 1533 CA SER A 196 -12.037 62.743 51.210 1.00 24.21 1534 CB SER A 196 -11.984 63.959 52.128 1.00 22.25

1535 OG SER A 196 -13.285 64.495 52.297 1.00 22.79

1536 C SER A 196 ^■13.151 61.810 51.697 1.00 22.33

1537 O SER A 196 ^■14.204 61.722 51.066 1.00 22.93 1538 N PRO A 197 ^■12.939 61.094 52.805 1.00 23.06

1539 CD PRO A 197 •11.712 -60.854 53.583 1.00 24.83

1540 CA PRO A 197 ^■14.028 60.217 53.248 1.00 25.58

1541 CB PRO A 197 ^■13.500 59.658 54.563 1.00 24.34

1542 CG PRO A 197 •12.024 59.537 54.277 1.00 27.07

1543 C PRO A 197 ^■15.337 60.997 53.421 1.00 24.95

1544 O PRO A 197 ^■16.395 60.559 52.980 1.00 25.69

1545 N LYS A 198 ^■15.257 62.164 54.050 1.00 25.71

1546 CA LYS A 198 -16.443 62.981 54.270 1.00 27.75

1547 CB LYS A 198 -16.081 64.233 55.073 1.00 32.29

1548 CG LYS A 198 -17.272 65.124 5555..339955 1.00 35.74

1549 CD LYS A 198 -16.895 66.193 5566..440055 1.00 38.51

1550 CE LYS A 198 -18.107 66.998 56.832 1.00 40.09

1551 NZ LYS A 198 17.840 67.766 58.081 1.00 43.19

1552 C LYS A 198 17.144 63.387 52.973 1.00 28.20

1553 O LYS A 198 18.377 63.413 52.909 1.00 27.33 1554 N GLN A 199 -16.367 63.711 51.945 1.00 25.85 1555 CA GLN A 199 -16.939 64.103 50.662 1.00 23.61 1556 CB GLN A 199 -15.873 64.772 49.781 1.00 23.45

1557 CG GLN A 199 -15.322 66.061 50.381 1.00 23.77

1558 CD GLN A 199 -14.109 66.598 49.637 1.00 26.67

1559 OEl GLN A 199 -13.289 65.834 49.128 1.00 23.86

1560 NE2 GLN A 199 -13.979 67.922 49.593 1.00 27.13

1561 C GLN A 199 -17.524 62.876 49.963 1.00 23.24 1562 0 GLN A 199 -18.526 62.981 49.248 1.00 21.78 11556633 N ARG A 200 -16.904 61.713 50.167 1. .00 20. .79 1564 CA ARG A 200 -17.433 60.494 49.564 1. .00 23. .29

1565 CB ARG A 200 -16.524 59.288 49.847 1. .00 21. .59

1566 CG ARG A 200 -17.009 58.001 49.166 1. .00 20, .69

1567 CD ARG A 200 -16.155 56.789 49.526 1. .00 21, .25 1568 NE ARG A 200 -16.695 55.561 48.940 1. .00 20, .11

1569 CZ ARG A 200 -16.485 55.167 47.689 1. .00 18, .90

1570 NHl ARG A 200 -15.732 55.898 46.871 1, .00 18, .82

1571 NH2 ARG A 200 -17.040 54.045 47.249 1. .00 17, .93

1572 C ARG A 200 -18.821 60.230 50.162 1. .00 23, .32 1573 O ARG A 200 -19.770 59.936 49.442 1. .00 22, .91 1574 N VAL A 201 -18.928 60.343 51.483 1, .00 23, .24

1575 CA VAL A 201 -20.198 60.114 52.165 1, .00 27, .08

1576 CB VAL A 201 -20.043 60.265 53.690 1, .00 25, .08

1577 CGI VAL A 201 -21.408 60.166 54.367 1. .00 28, .45 1578 CG2 VAL A 201 -19.111 59.184 54.219 1, .00 24 , .89

1579 C VAL A 201 -21.230 61.113 51.659 1. .00 25, .56 1580 O VAL A 201 -22.374 60.756 51.372 1. .00 24 , .53 1581 N GLU A 202 -20.806 62.367 51.544 1. .00 25, .35

1582 CA GLU A 202 -21.672 63.431 51.061 1. .00 26, .65 1583 CB GLU A 202 -20.890 64.751 51.005 1. .00 29, .27

1584 CG GLU A 202 -21.550 65.834 50.166 1. .00 33 , .44

1585 CD GLU A 202 -20.794 67.152 50.205 1, .00 37, .16

1586 OEl GLU A 202 -19.567 67.158 49.956 1. .00 37, .45

1587 OE2 GLU A 202 -21.435 68.187 50.478 1. .00 39, .24 1588 C GLU A 202 -22.244 63.098 49.685 1 , .00 25, .58

1589 0 GLU A 202 ^•23.446 63.241 49.451 1. .00 25, .37

1590 N PHE A 203 ^•21.389 62.645 48.774 1, .00 25, .81 1591 CA PHE A 203 -21.843 62.308 47.428 1.00 23.02

1592 CB PHE A 203 -20.641 62.000 46.525 1.00 23.10

1593 CG PHE A 203 -21.014 61.654 45.105 1.00 24.94

1594 CDl PHE A 203 -20.912 60.347 44.643 1.00 26.21

1595 CD2 PHE A 203 -21.453 62.641 44.224 1.00 24.81

1596 CEl PHE A 203 -21.241 6600..002233 43.325 1.00 25.60

1597 CE2 PHE A 203 21.785 62.327 42.903 1.00 25.16

1598 CZ PHE A 203 21.677 61.018 42.454 1.00 25.68

1599 C PHE A 203 22.810 61.123 47.434 1.00 23.34

1600 O PHE A 203 -23.835 61.146 46.758 1.00 23.28

1601 N LEU A 204 -22.482 60.089 48.199 1.00 22.10

1602 CA LEU A 204 -23.329 58.910 48.279 1 . 00 22 . 89

1603 CB LEU A 204 22.645 57.833 49.127 1 . 00 23 . 07

1604 CG LEU A 204 21.503 57.094 48.425 1 . 00 24 . 56

1605 CDl LEU A 204 -20.744 56.234 49.433 1 . 00 23 . 95

1606 CD2 LEU A 204 -22.081 56 . 239 47 . 301 1 . 00 22 . 82

1607 C LEU A 204 -24.715 59 . 207 48 . 851 1 . 00 24 . 05

1608 O LEU A 204 -25.730 58.772 48.296 1.00 22.86

1609 N VAL A 205 -24.753 59.947 49.955 1.00 24.97 1610 CA VAL A 205 -26.016 60.280 50.605 1.00 27.94

1611 CB VAL A 205 -25.776 60.956 51.981 1.00 28.80

1612 CGI VAL A 205 -27.104 61.444 52.566 1.00 28.30

1613 CG2 VAL A 205 -25.119 59.962 52.945 1.00 25.73

1614 C VAL A 205 -26.876 61.187 49.729 1.00 26.93 1615 O VAL A 205 -28.079 60.964 49.587 1.00 28.33 1616 N ASN A 206 -26.264 6622..220077 49.141 1.00 27.54

1617 CA ASN A 206 -27.002 6633..112211 48.272 1.00 27.42

1618 CB ASN A 206 -26.090 64.256 47.796 1.00 27.01

1619 CG ASN A 206 -25.783 65.255 48.898 1.00 29.82

1620 ODl ASN A 206 -24.903 66.107 48.757 1.00 31.03

1621 ND2 ASN A 206 -26.516 65.160 50.002 1.00 27.95

1622 C ASN A 206 -27.575 62.373 47.074 1.00 28.07

1623 O ASN A 206 -28.745 62.551 46.717 1.00 28.83 1624 N THR A 207 -26.756 61.526 46.457 1.00 25.65

1625 CA THR A 207 -27.210 60.763 45.305 1.00 25.77

1626 CB THR A 207 -26.067 59.933 44.704 1.00 26.25

1627 OGl THR A 207 -24.997 60.808 44.316 1.00 27.02 1628 CG2 THR A 207 -26.556 59.164 43.485 1.00 25.28

1629 C THR A 207 -28.349 59.828 45.696 1.00 26.65

1630 O THR A 207 -29.359 59.731 44.995 1.00 27.85

1631 N TRP A 208 -28.182 59.146 46.823 1.00 25.27

1632 CA TRP A 208 -29.190 58.218 47.311 1.00 27.97

1633 CB TRP A 208 -28.692 57.556 48.600 1.00 27.79

1634 CG TRP A 208 -29.566 56.449 49.102 1.00 27.23

1635 CD2 TRP A 208 -29.540 55.084 48.675 1.00 26.47

1636 CE2 TRP A 208 -30.531 54.397 49.411 1.00 26.21

1637 CE3 TRP A 208 -28.775 54.373 47.740 1.00 26.48

1638 CDl TRP A 208 -30.543 56.537 50.052 1.00 26.94

1639 NEl TRP A 208 -31.126 55.306 50.245 1.00 26.47

1640 CZ2 TRP A 208 -30.778 53.031 49.242 1.00 26.31

1641 CZ3 TRP A 208 -29.018 53.015 47.571 1.00 27.20

1642 CH2 TRP A 208 -30.014 52.358 48.321 1.00 27.88

1643 C TRP A 208 -30.513 58.946 47.565 1.00 28.95

1644 O TRP A 208 -31.572 58.525 47.088 1.00 28.35

1645 N LYS A 209 -30.439 60.051 48.298 1.00 31.23

1646 CA LYS A 209 -31.628 60.832 48.630 1.00 33.21

1647 CB LYS A 209 -31.297 61.871 49.706 1.00 33.18

1648 CG LYS A 209 -30.927 61.253 51.044 1.00 35.93

1649 CD LYS A 209 -30.733 62.300 52.130 1.00 38.81

1650 CE LYS A 209 -30.408 61.633 53.464 1.00 40.97

1651 NZ LYS A 209 -30.254 62.609 54.575 1.00 42.78

1652 C LYS A 209 -32.255 61.520 47.432 1.00 33.21

1653 O LYS A 209 -33.413 61.928 47.488 1.00 34.07

1654 N ALA A 210 •31.497 61.644 46.348 1.00 33.88

1655 CA ALA A 210 ^■31.995 62.291 45.139 1.00 35.31

1656 CB ALA A 210 ^■30.833 62.690 44.246 1.00 32.82

1657 C ALA A 210 ^■32.949 61.376 44.379 1.00 36.90

1658 O ALA A 210 ^■33.759 61.838 43.576 1.00 38.62

1659 N LYS A 211 •32.843 60.077 44.637 1.00 37.46

1660 CA LYS A 211 ^•33.700 59.087 43.992 1.00 38.81

1661 CB LYS A 211 ^■33.032 57.709 44.043 1.00 37.55

1662 CG LYS A 211 ^■32.180 57.349 42.828 1.00 38.53

1663 CD LYS A 211 ^■31.178 58.421 42.443 1.00 36.89

1664 CE LYS A 211 ^■30.205 57.870 41.411 1.00 40.33 1665 NZ LYS A 211 29,.206 58..858 40..906 1..00 39..31 1666 C LYS A 211 35, .058 59. .022 44. .692 1. .00 41. .19 1667 0 LYS A 211 35, .159 59, .284 45. .892 1. .00 41. .63 1668 N LYS A 212 36, .100 58, .675 43. .940 1. .00 42. .89 1669 CA LYS A 212 37, .443 58, .565 44. .503 1. .00 45. .03

1670 CB LYS A 212 38, .483 58. .667 43 , .384 1. .00 50. .01

1671 CG LYS A 212 38, .496 60, .051 42, .750 1. .00 58. .68

1672 CD LYS A 212 39, .339 60, .128 41, .494 1. .00 66. .33 1673 CE LYS A 212 -3399., .227788 6611., .553333 40, .907 1. .00 70. .82 1674 NZ LYS A 212 -3399., .998800 6611., .664444 39, .598 1. .00 75. .34 1675 C LYS A 212 37, .577 57 .254 45, .269 1. .00 43. .16 1676 O LYS A 212 38, .211 57, .200 46, .324 1. .00 43. .35 1677 N CYS A 213 36, .975 56 .200 44 .728 1. .00 40. .15 1678 CA CYS A 213 36, .967 54 .885 45 .362 1. .00 37. .51 1679 CB CYS A 213 38 .114 54 .007 44 .862 1. .00 37. .85

1680 SG CYS A 213 38 .172 52 .395 45 .694 1. .00 40. .48

1681 C CYS A 213 35 .627 54 .274 44 .969 1. .00 34. .26

1682 O CYS A 213 35 .542 53 .432 44 .075 1, .00 32. .97 1683 N PRO A 214 34 .557 54 .704 45 .645 1, .00 32. .59 1684 CD PRO A 214 - 3344..559999 55.577 46.832 11,..0000 3311...3377

1685 CA PRO A 214 - 3333..119922 54.240 45.394 11...0000 3300,..4433

1686 CB PRO A 214 - 3322. .336622 55 .097 46 .346 1. .00 31, .62

1687 CG PRO A 214 - 3333. .228866 55 .254 47 .514 1, .00 33, .24

1688 C PRO A 214 - 3322..991100 5522..776600 45.574 11...0000 2288...0033

1689 O PRO A 214 - 3333..444499 5522..110022 46.457 11,..0000 2277...6655

1690 N MET A 215 - 3322,. .006633 52 .252 44 .689 1, .00 26. .25

1691 CA MET A 215 - 3311,. .559911 50 .877 44 .718 1, .00 25. .12

1692 CB MET A 215 - 3322,. .229933 50 .001 43 .676 1, .00 22. .19

1693 CG MET A 215 - 3311,..774488 4488..556611 43.622 11...0000 2211...7788

1694 SD MET A 215 30, .178 48 .358 42 .691 11.. .0000 2277.. .2233

1695 CE MET A 215 30, .809 48 .095 41 .035 1, .00 21. .47

1696 C MET A 215 30, .133 51 .052 44 .332 1. .00 23. .92

1697 O MET A 215 - 2299,..881133 5511..888888 4433..448888 11...0000 2244...6611

1698 N GLY A 216 -29.250 50.290 44.957 1.00 23.57

1699 CA GLY A 216 -27.848 50.418 44.630 1.00 22.88

1700 C GLY A 216 -27.166 49.089 44.805 1.00 23.36

1701 O GLY A 216 -27.726 48.176 45.420 1.00 24.36 1702 N PHE A 217 ^•25.962 48.975 44.256 1.00 21.90

1703 CA PHE A 217 ^■25.195 47.752 44.371 1.00 22.69

1704 CB PHE A 217 ^•25.676 46.705 43.359 1.00 21.28

1705 CG PHE A 217 ^■25.485 47.112 41.920 1.00 21.42

1706 CDl PHE A 217 ^■26.418 47.928 41.282 1.00 20.05

1707 CD2 PHE A 217 ^•24.373 46.677 41.200 1.00 20.22

11770088 CEl PHE A 217 ^■26.249 48.308 39.944 1.00 21.59

11770099 CE2 PHE A 217 ^■24.192 47.052 39.860 1.00 21.75

11771100 CZ PHE A 217 ^■25.136 47.869 39.232 1.00 19.78

11771111 C PHE A 217 -23.720 48.012 44.134 1.00 22.15

11771122 0 PHE A 217 -23.338 48.997 43.504 1.00 21.96

11771133 N SER A 218 -22.896 47.115 44.656 1.00 22.46

11771144 CA SER A 218 -21.464 47.191 44.463 1.00 23.74

11771155 CB SER A 218 -20.732 46.960 45.791 1.00 24.89 1716 OG SER A 218 -21.101 45.713 46.361 1.00 25.57 1717 C SER A 218 -21.188 46.049 43.496 1.00 24.39 1718 0 SER A 218 -21.888 45.035 43.521 1.00 23.66 1719 N TYR A 219 -20.192 46.206 42.629 1.00 24.42 1720 CA TYR A 219 -19.866 45.146 41.679 1.00 24.38 1721 CB TYR A 219 -20.010 45.650 40.239 1.00 22.93 1722 CG TYR A 219 -19.842 44.558 39.199 1.00 23.29 1723 CDl TYR A 219 -20.849 43.614 38.978 1.00 22.14 1724 CEl TYR A 219 -20.688 42.589 38.041 1.00 21.31 1725 CD2 TYR A 219 -18.668 44.451 38.455 1.00 22.37 1726 CE2 TYR A 219 -18.496 43.432 37.517 1.00 22.69 1727 CZ TYR A 219 -19.509 42.504 37.315 1.00 21.39 1728 OH TYR A 219 -19.336 41.496 36.395 1.00 20.00 1729 C TYR A 219 -18.442 44.641 41.911 1.00 26.77 1730 O TYR A 219 -17.474 45.387 41.756 1.00 26.97 1731 N ASP A 220 ^■18.327 43.374 42.286 1.00 27.02 1732 CA ASP A 220 -17.040 42.744 42.553 1.00 29.36 1733 CB ASP A 220 ^■17.168 41.813 43.769 1.00 31.09 1734 CG ASP A 220 ^•15.883 41.045 44.071 1.00 35.06

1735 ODl ASP A 220 ^■14.813 41.684 44.162 1.00 34.11

1736 OD2 ASP A 220 ^■15.950 39.802 44.228 1.00 35.02

1737 C ASP A 220 -16.564 41.958 41.334 1.00 29.09 1738 0 ASP A 220 -17.138 40.924 40.985 1.00 29.42 1739 N THR A 221 15.531 42.460 40.667 1.00 28.30

1740 CA THR A 221 - 15 . 000 41.764 39.501 1.00 29.34

1741 CB THR A 221 - 14 . 208 42.715 38.559 1.00 29.39

1742 OGl THR A 221 - 15 . 070 43.756 38.073 1.00 29.10

1743 CG2 THR A 221 - 13 . 647 41.935 37.365 1.00 27.53

1744 C THR A 221 - 14 . 042 40.689 39.999 1.00 29.92

1745 O THR A 221 -13.283 40.925 40.937 1.00 30.48

1746 N ARG A 222 -14.091 39.502 39.404 1.00 30.27

1747 CA ARG A 222 ^■ 13 . 160 38 . 454 39.800 1.00 33.87

1748 CB ARG A 222 ^• 13 . 4 90 37.141 39.089 1.00 38.27

1749 CG ARG A 222 -12.414 36.076 39.255 1.00 47.49

1750 CD ARG A 222 -12.611 34.912 38.295 1.00 54.17

1751 NE ARG A 222 -12.714 35.357 36.908 1.00 60.34

1752 CZ ARG A 222 -12.752 34.540 35.859 1.00 63.47

1753 NHl ARG A 222 -12.691 33.226 36.036 1.00 66.62

1754 NH2 ARG A 222 -12.861 35.034 34.634 1.00 65.34

1755 C ARG A 222 -11.807 38.982 39.310 1.00 32.10

1756 O ARG A 222 ^■ 11 . 633 39.193 38.116 1.00 32.48

1757 N CYS A 223 ^■ 1100..886699 39.202 40.227 1.00 29.93

1758 CA CYS A 223 -9.542 39.740 39.895 1.00 28.72

1759 CB CYS A 223 -8.523 38.616 39.687 1.00 31.12

1760 SG CYS A 223 -6.811 39.259 39.686 1.00 38.46

1761 C CYS A 223 -9.528 40.654 38.669 1.00 24.41

1762 O CYS A 223 ^■9.162 40.236 37.568 1.00 24.05

1763 N PHE A 224 ^•9.912 41.908 38.878 1.00 21.85

1764 CA PHE A 224 -9.978 42.895 37.809 1.00 20.50

1765 CB PHE A 224 -10.328 44.268 38.395 1.00 19.29

1766 CG PHE A 224 -10.700 45.293 37.357 1.00 22.28

1767 CDl PHE A 224 -9.717 46.016 36.684 1.00 21.02

1768 CD2 PHE A 224 -12.037 45.510 37.025 1.00 20.47

1769 CEl PHE A 224 -10.059 46.937 35.698 1.00 20.84

1770 CE2 PHE A 224 -12.389 46.431 3366..003399 1.00 21.75

1771 CZ PHE A 224 -11.401 47.143 3355..337744 1.00 22.01

1772 C PHE A 224 -8.700 42.996 36.966 1.00 19.65 1773 O PHE A 224 -8.763 43.010 35.739 1.00 19.47 1774 N ASP A 225 -7.548 43.065 37.624 1.00 20.24 1775 CA ASP A 225 ^■ 6 . 273 4 3 . 166 36 . 911 1 . 00 19 . 80 1776 CB ASP A 225 5..102 43..030 37..885 1..00 18..78

1777 CG ASP A 225 4. .913 44 , .257 38, .756 1, .00 20. .92

1778 ODl ASP A 225 5. .698 45. .220 3388,. .663333 1 , .00 20. .36

1779 OD2 ASP A 225 3. .965 44. .254 3399,. .556644 1, .00 21, .06

1780 C ASP A 225 6. .135 42. .097 35. .831 1. .00 18. .64 1781 O ASP A 225 5, .760 42. .393 34. .693 1, .00 19. .30 1782 N SER A 226 6. .441 40. .854 36, .192 1. .00 20, .01 1783 CA SER A 226 6. .327 39. .745 35, .256 1. .00 19, .95 1784 CB SER A 226 6. .416 38, .408 35, .998 1. .00 23, .47 1785 OG SER A 226 5. .491 38. .353 37, .065 1. .00 26, .81 1786 C SER A 226 7. .366 39 .770 34 .140 1. .00 20, .53 1787 O SER A 226 7. .173 39. .125 33, .109 1, .00 23, .50 1788 N THR A 227 88.. ..446644 4400,. ..550000 3344,. ..333333 11.. . .0000 1199,. ..4477 1789 CA THR A 227 -99.. .449977 4400., .556688 33. .296 11,. . .0000 1188,. ..8888 1790 CB THR A 227 • 100., .889988 4400. .991177 33 .873 11. . .0000 1177 ..3377 1791 OGl THR A 227 ^• 100., .887777 4422. .223377 34 .425 11. . .0000 2200,. ..7733 1792 CG2 THR A 227 ^• 111., .330033 3399. .992211 34 .954 11.. . .0000 1166,. ..4455 1793 C THR A 227 -99.. .115555 4411., .661122 32. .241 11.. . .0000 1199,, ..5566 1794 O THR A 227 -99.. .770011 4411., .559933 31, .136 11,. . .0000 1188,, ..4477 1795 N VAL A 228 -88.. .225577 4422. .553322 32 .583 11, . .0000 2200,, ..1122 1796 CA VAL A 228 7. .872 43 .568 31 .637 1. .00 18, .32 1797 CB VAL A 228 7. .050 44 .664 32 .332 1. .00 17, .94

1798 CGI VAL A 228 6. .650 45, .739 31, .327 1. .00 16, .10

1799 CG2 VAL A 228 - 77...887744 4455..227799 33.468 11,..0000 1166,..0088

1800 C VAL A 228 - 77...006655 4422..993322 30.510 11,..0000 1199,..8888 1801 O VAL A 228 - 66,..006644 4422..225511 30.758 11,..0000 2211,..0099 1802 N THR A 229 - 77...551166 4433,..114444 29,.276 11...0000 1188...9900 1803 CA THR A 229 - 66...885588 4422,..558811 28,.096 11...0000 1199...5500 1804 CB THR A 229 - 77,..888844 4422..222288 26.998 11...0000 2222,..6633

1805 OGl THR A 229 8, .491 43, .436 26 .517 1. .00 23 , .52

1806 CG2 THR A 229 8, .972 41, .292 27. .548 1. .00 23. .10

1807 C THR A 229 5. .852 43. .551 27. .482 1. .00 20. .90 1808 O THR A 229 5, .841 44 .742 27 .798 1, .00 20. .75 1809 N GLU A 230 5, .010 43 .031 26 .597 1, .00 20. .56

1810 CA GLU A 230 4 , .005 43. .849 25, .930 1. .00 23. .01

1811 CB GLU A 230 3. .208 42. .988 24. .950 1. .00 22. .84

1812 CG GLU A 230 2. .334 41. .947 25, .640 1. .00 24. .63 1813 CD GLU A 230 ^■1.859 40.867 24.692 1.00 28.00 1814 OEl GLU A 230 -2.672 39.983 24.338 1.00 28.05

1815 OE2 GLU A 230 -0.675 40.906 24.294 1.00 28.53

1816 C GLU A 230 -4.696 44.989 25.193 1.00 23.93

1817 O GLU A 230 -4.266 46.141 25.260 1.00 23.93 1818 N ASN A 231 ^•5.784 44.674 24.502 1.00 25.20

1819 CA ASN A 231 ^■6.508 45.706 23.775 1.00 23.85

1820 CB ASN A 231 -7.644 45.086 22.960 1.00 28.16

1821 CG ASN A 231 -8.184 46.035 21.913 1, .00 29, .83

1822 ODl ASN A 231 -9.306 46.536 22.026 1, .00 32, .36

1823 ND2 ASN A 231 -7.378 46.300 20.888 1. .00 28, .36

1824 C ASN A 231 -7.058 46.770 24.728 1. .00 22, .67 1825 0 ASN A 231 -7.051 47.959 24.399 1, .00 21, .87 1826 N ASP A 232 -7.536 46.347 25.901 1. .00 21, .60 1827 CA ASP A 232 -8.069 47.281 26.902 1. .00 20, .16

1828 CB ASP A 232 -8.411 46.558 28.216 1. .00 21, .03

1829 CG ASP A 232 -9.742 45.819 28.174 1, .00 22, .17

1830 ODl ASP A 232 -9.958 44.972 29.065 1, .00 24, .77 1831 OD2 ASP A 232 ^•10.572 46.085 27.284 1, .00 21, .23 1832 C ASP A 232 -6.998 48.321 27.226 1 .00 21, .68 1833 O ASP A 232 -7.265 49.516 27.316 1 .00 19, .21 1834 N ILE A 233 -5.778 47.843 27.416 1 .00 19, .33

1835 CA ILE A 233 -4.677 48.726 27.763 1 .00 21 .06

1836 CB ILE A 233 -3.486 47.887 28.252 1 .00 20 .42

1837 CG2 ILE A 233 -2.285 48.786 28.532 1 .00 20 .01

1838 CGI ILE A 233 -3.915 47.119 29.516 1.00 20.38

1839 CDl ILE A 233 -3.060 45.894 29.858 1.00 18.67

1840 C ILE A 233 -4.290 49.667 26.621 1.00 21.65

1841 O ILE A 233 -3.847 50.798 26.864 1.00 24.61 1842 N ARG A 234 -4.462 49.224 25.380 1.00 22.13

1843 CA ARG A 234 -4.162 50.093 24.242 1.00 23.82

1844 CB ARG A 234 -3.994 49.278 22.953 1.00 24.61

1845 CG ARG A 234 -2.803 48.326 23.028 1.00 22.35

1846 CD ARG A 234 -2.397 47.762 21.674 1.00 22.33 1847 NE ARG A 234 -1.163 46.983 21.798 1.00 20.92

1848 CZ ARG A 234 -1.105 45.658 21.886 1.00 23.79

1849 NHl ARG A 234 -2.216 44.933 21.850 1.00 22.81 1850 NH2 ARG A 234 0..071 45..056 22..045 1.,00 24..58

1851 C ARG A 234 -5. .292 51. .121 24. .112 1. ,00 22. .86

1852 0 ARG A 234 -5. .067 52. .254 23. .688 1. ,00 22. .69

1853 N VAL A 235 -6. .507 50. ,736 24. .496 1. ,00 21. .13

1854 CA VAL A 235 -7. .614 51. ,685 24. .467 1. ,00 19. .62

1855 CB VAL A 235 -8. .956 51. ,007 24. .819 1. .00 18. .90

1856 CGI VAL A 235 -10. .008 52. .065 25. .166 1. .00 18. .27

1857 CG2 VAL A 235 -9. .431 50. .179 23. .636 1. .00 18, .34

1858 C VAL A 235 -7. .306 52. .777 25, .494 1. .00 19, .43

1859 0 VAL A 235 -7, .582 53. .957 25, .263 1. .00 22, .26

1860 N GLU A 236 -6 .736 52. .385 26, .632 1. .00 20, .36

1861 CA GLU A 236 -6 .376 53. .355 27, .669 1. .00 20, .34

1862 CB GLU A 236 -5 .773 52, .639 28 .889 1. .00 21, .39

1863 CG GLU A 236 -6 .797 51, .801 29 .663 1. .00 23, .38

1864 CD GLU A 236 -6 .168 50, .849 30 .666 1. .00 26, .08

1865 OEl GLU A 236 -6 .927 50, .067 31 .285 1. .00 22, .50

1866 OE2 GLU A 236 -4 .924 50, .877 30 .842 1. .00 23, .35

1867 C GLU A 236 -5 .369 54, .357 27 .090 1. .00 21, .66

1868 0 GLU A 236 -5 .477 55, .563 27 .315 1. .00 21, .55

1869 N GLU A 237 -4 .399 53, .854 26 .333 1. .00 21, .89

1870 CA GLU A 237 -3 .401 54 , .730 25 .725 1. .00 23, .72

1871 CB GLU A 237 -2 .338 53, .908 24 .991 1. .00 25, .65

1872 CG GLU A 237 -1 .123 54, .720 24 .563 1. .00 29, .38

1873 CD GLU A 237 -1 .089 55, .009 23 .076 1. .00 33, .99

1874 OEl GLU A 237 -2 .120 54 , .802 22 .398 1. .00 37, .59

1875 OE2 GLU A 237 -0 .030 55, .458 22 .582 1. .00 31, .94

1876 C GLU A 237 -4 .073 55, .693 24 .748 1. .00 24 , .67

1877 0 GLU A 237 -3 .737 56, .880 24 .708 1. .00 25, .25

1878 N SER A 238 -5. .028 55, .191 23 .965 1. .00 24 , .51

1879 CA SER A 238 -5. .720 56, .046 23 .000 1. .00 25, .88

1880 CB SER A 238 -6. .749 55, .248 22 .187 1. .00 25, .68

1881 OG SER A 238 -7. .871 54 , .892 22 .977 1. .00 32, .08

1882 C SER A 238 -6. .405 57, .194 23 .726 1. .00 25, .91

1883 0 SER A 238 -6. .551 58, .287 23 .179 1. .00 26, .82

1884 N ILE A 239 -6. .824 56, .954 24 , .965 1. .00 25. .45

1885 CA ILE A 239 -7 .465 58 .003 25 .745 1 , .00 23, .77

1886 CB ILE A 239 -8 .245 57 .413 26 .944 1. .00 21, .85 1887 CG2 ILE A 239 -8..857 58..531 27..782 1..00 20..90

1888 CGI ILE A 239 -9. .354 56. .482 26. .423 1. .00 24. .45

1889 CDl ILE A 239 -10. .170 55. .798 27. .526 1. ,00 20. .93 1890 C ILE A 239 -6. .387 58. .983 26. .226 1. ,00 24. .84 1891 O ILE A 239 -6. .571 60. .199 26. .140 1. .00 23. .85 1892 N TYR A 240 -5. .261 58. .462 26. .717 1. .00 24. .67

1893 CA TYR A 240 -4. .174 59. .332 27. .174 1. .00 25. .72

1894 CB TYR A 240 -2 , .929 58, .529 27, .594 1. .00 23. .43

1895 CG TYR A 240 -3, .119 57, .501 28, .699 1. .00 24. .73

1896 CDl TYR A 240 -4 , .085 57, .669 29, .692 1. .00 23. .50

1897 CEl TYR A 240 -4, .254 56 .713 30, .704 1. .00 24. .32

1898 CD2 TYR A 240 -2, .319 56 .356 28, .747 1. .00 24. .57

1899 CE2 TYR A 240 -2, .477 55 .399 29, .753 1. .00 24 , .59

1900 CZ TYR A 240 -3, .446 55 .580 30 .724 1. .00 23. .31

1901 OH TYR A 240 -3 .625 54 .615 31 .694 1. .00 24. .38

1902 C TYR A 240 -3. .757 60 .279 26 .039 1, .00 25, .89

1903 O TYR A 240 -3 .557 61 .477 26 .256 1. .00 28. .61 1904 N GLN A 241 -3 .629 59 .727 24 .834 1, .00 27. .06

1905 CA GLN A 241 -3 .210 60 .498 23 .660 1. .00 27, .40

1906 CB GLN A 241 -2 .929 59 .560 22 .483 1, .00 26, .00

1907 CG GLN A 241 -1 .775 58 .579 22 .719 1. .00 27, .61

1908 CD GLN A 241 -0 .413 59 .264 22 .756 1. .00 28, .05

1909 OEl GLN A 241 -0 .317 60 .491 22 .642 1, .00 29, .86

1910 NE2 GLN A 241 0 .645 58 .473 22 .918 1. .00 23. .92

1911 C GLN A 241 -4 .204 61 .575 23 .230 1. .00 29. .85

1912 O GLN A 241 -3 .892 62 .396 22 .366 1. .00 29. .95

1913 N CYS A 242 -5 .402 61 .568 23 .814 1, .00 30. .41

1914 CA CYS A 242 -6.399 62.586 23.490 1.00 31.17

1915 CB CYS A 242 -7.806 62.150 23.924 1.00 30.18

1916 SG CYS A 242 -8.605 60.968 22.818 1.00 31.91

1917 C CYS A 242 -6.022 63.874 24.214 1.00 31.34

1918 O CYS A 242 -6.489 64.958 23.864 1.00 31.44

1919 N CYS A 243 -5.178 63.744 25.232 1.00 32.13

1920 CA CYS A 243 -4.729 64.897 26.003 1.00 32.58

1921 CB CYS A 243 -4.002 64.448 27.274 1.00 34.50

1922 SG CYS A 243 -5.001 63.498 28.439 1.00 33.83 1923 C CYS A 243 -3.762 65.721 25.165 1.00 33.01 1924 0 CYS A 243 -3.,161 65..209 24..226 1..00 30..89

1925 N ASP A 244 -3. .624 66. .996 25. .511 1. .00 33. .55

1926 CA ASP A 244 -2. .698 67. .884 24. .821 1. ,00 34. .78

1927 CB ASP A 244 -3. .102 69. .346 25. .049 1. .00 34. .97

1928 CG ASP A 244 -2. .138 70. .335 24. .405 1. ,00 37. .99

1929 ODl ASP A 244 -1. .157 69. .902 23. .762 1. .00 35. .69

1930 OD2 ASP A 244 -2. .367 71. .556 24. .548 1. .00 39. .58

1931 C ASP A 244 -1. .353 67, .586 25. .476 1. .00 34. .19

1932 0 ASP A 244 -1. .089 68, .022 26. .595 1. .00 34 .64

1933 N LEU A 245 -0, .511 66, .827 24 , .784 1. .00 35 .31

1934 CA LEU A 245 0, .785 66, .439 25. .329 1, .00 37, .15

1935 CB LEU A 245 0, .834 64, .919 25, .474 1, .00 37, .15

1936 CG LEU A 245 -0, .306 64 .264 26, .254 1, .00 36 .55

1937 CDl LEU A 245 -0, .305 62 .766 26, .000 1, .00 32, .42

1938 CD2 LEU A 245 -0. .149 64 .578 27 .732 1. .00 36 .24

1939 C LEU A 245 1. .988 66 .884 24 .502 1. .00 39 .08

1940 0 LEU A 245 1. .865 67 .200 23 .319 1. .00 39 .99

1941 N ALA A 246 3. .156 66 .896 25 .136 1. .00 39 .59

1942 CA ALA A 246 4. .385 67 .261 24 .444 1. .00 40 .83

1943 CB ALA A 246 5. .511 67 .480 25 .442 1. .00 39 .15

1944 C ALA A 246 4. .724 66 .097 23 .521 1. .00 41 .57

1945 0 ALA A 246 4, .439 64 .940 23 .836 1. .00 41 .88

1946 N PRO A 247 5, .336 66 .386 22 .367 1. .00 41 .44

1947 CD PRO A 247 5, .702 67 .721 21 .860 1. .00 42 .07

1948 CA PRO A 247 5, .705 65 .339 21 .410 1, .00 40, .89

1949 CB PRO A 247 6.555 66.096 20.393 1.00 42.54

1950 CG PRO A 247 5.910 67.458 20.386 1.00 40.92

1951 C PRO A 247 6.468 64.191 22.067 1.00 40.54

1952 O PRO A 247 6.182 63.015 21.826 1.00 39.03

1953 N GLU A 248 7.433 64.545 22.907 1.00 38.19

1954 CA GLU A 248 8.257 63.564 23.606 1.00 38.13

1955 CB GLU A 248 9.407 64.300 24.298 1.00 40.04

1956 CG GLU A 248 10.383 63.440 25.064 1.00 44.56

1957 CD GLU A 248 11.684 64.178 25.330 1.00 45.50

1958 OEl GLU A 248 12.387 63.834 26.299 1.00 45.81

1959 OE2 GLU A 248 12.007 65.101 24.552 1.00 49.29

1960 C GLU A 248 7.437 62.741 24.613 1.00 36.60 1961 O GLU A 248 7..728 61.,566 24..858 1..00 34..53

1962 N ALA A 249 6. .412 63. .361 25. .191 1, .00 34. .27

1963 CA ALA A 249 5. .548 62. .671 26. .143 1, .00 32, .23

1964 CB ALA A 249 4 , .620 63. .668 26. .829 1, .00 32, .25

1965 C ALA A 249 4 , .735 61. .631 25. .372 1. .00 31, .64

1966 0 ALA A 249 4 , .601 60. .480 25. .803 1. .00 28, .99

1967 N ARG A 250 4, .206 62. .039 24. .222 1. .00 30, .57

1968 CA ARG A 250 3, .421 61, .134 23. .389 1. .00 31. .15

1969 CB ARG A 250 2, .989 61. .821 22. .089 1. .00 31. .41

1970 CG ARG A 250 1, .973 62, .933 22. .265 1. .00 30. .96

1971 CD ARG A 250 1, .370 63 , .342 20. .924 1. .00 32. .71

1972 NE ARG A 250 0, .458 64 , .474 21. .079 1. .00 34. .09

1973 CZ ARG A 250 0, .714 64, .417 21, .704 1. .00 35. .22

1974 NHl ARG A 250 1. .137 63, .274 22, .236 1. .00 36. .50

1975 NH2 ARG A 250 1 .458 65 .510 21 .815 1 .00 32. .33

1976 C ARG A 250 4 .205 59 .873 23 .044 1 .00 31, .08

1977 O ARG A 250 3 .671 58 .767 23 .099 1 .00 29, .90

1978 N GLN A 251 5 .473 60 .050 22 .687 1 .00 29, .76

1979 CA GLN A 251 6.334 58.931 22.319 1.00 29.75

1980 CB GLN A 251 7.660 59.453 21.755 1.00 31.15

1981 CG GLN A 251 21.335 1.00 34.07

1982 CD GLN A 251 8. .243 57, .669 20. .038 1, .00 37 .36

1983 OEl GLN A 251 8. .991 56. .843 19, .515 1, .00 39 .85

1984 NE2 GLN A 251 7, .070 58, .006 19, .513 1, .00 37 .84

1985 C GLN A 251 6. .614 58, .010 23 , .502 1, .00 27, .84

1986 0 GLN A 251 6. .568 56, .787 23 , .370 1. .00 29, .32

1987 N ALA A 252 6. .923 58, .602 24 , .651 1. .00 26, .87

1988 CA ALA A 252 7. .210 57, .832 25, .857 1. .00 25, .24

1989 CB ALA A 252 7, .696 58, .761 26 .967 1, .00 23 .46

1990 C ALA A 252 5, .966 57, .069 26, .323 1, .00 24 .65

1991 0 ALA A 252 6, .062 55, .943 26, .815 1, .00 22 .69

1992 N ILE A 253 4 , .803 57, .691 26, .169 1, .00 24 .32

1993 CA ILE A 253 3, .551 57, .062 26, .579 1, .00 24 .88

1994 CB ILE A 253 2, .401 58, .088 26, .594 1, .00 23, .11

1995 CG2 ILE A 253 1, .048 57, .379 26, .698 1 , .00 24 , .25

1996 CGI ILE A 253 2, .601 59. .041 27, .775 1 , .00 23 .29

1997 CDl ILE A 253 1 , .583 60. .148 27, .865 1. .00 24, .49 1998 C ILE A 253 3.217 55.892 25.661 1.00 25.83 1999 O ILE A 253 2.814 54.818 26.117 1.00 26.79 2000 N ARG A 254 3.403 56.091 24.363 1.00 26.80 2001 CA ARG A 254 3.138 55.028 23.418 1-00 26.90 2002 CB ARG A 254 3.296 55.561 21.992 1.00 31.42

2003 CG ARG A 254 3.204 54.514 20.893 1.00 36.89

2004 CD ARG A 254 2.962 55.197 19.538 1.00 43.95

2005 NE ARG A 254 3.681 56.471 19.416 1.00 46.00

2006 CZ ARG A 254 3.093 57.671 19.369 1.00 46.27 2007 NHl ARG A 254 1.769 57.777 19.429 1.00 44.27

2008 NH2 ARG A 254 3.831 58.771 19.263 1.00 44.48

2009 C ARG A 254 4.111 53.873 23.685 1.00 25.63

2010 O ARG A 254 3.722 52.702 23.699 1.00 22.29

2011 N SER A 255 5.374 54.207 23.927 1. .00 24 , .42 2012 CA SER A 255 6.385 53.184 24.174 1 .00 23 .95

2013 CB SER A 255 7.777 53.820 24.150 1 .00 26 .05

2014 OG SER A 255 8.777 52.822 24.199 1 .00 30 .82

2015 C SER A 255 6.170 52.426 25.492 1, .00 23 .64

2016 O SER A 255 6.321 51.204 25.546 1, .00 21, .79 2017 N LEU A 256 5.832 53.144 26.558 1, .00 21 .87

2018 CA LEU A 256 5.583 52.482 27.834 1, .00 21, .78

2019 CB LEU A 256 5.337 53.516 28.940 1, .00 22, .62

2020 CG LEU A 256 6.598 54.210 29.480 1, .00 22 , .50

2021 CDl LEU A 256 6.233 55.390 30.371 1, .00 21, .59 2022 CD2 LEU A 256 7.417 53.192 30.255 1, .00 18, .63

2023 C LEU A 256 4.378 51.550 27.686 1, .00 21. .48

2024 0 LEU A 256 4 , .357 50. .452 28, .239 1. .00 22, .10

2025 N THR A 257 3. .382 51. .983 26, .920 1. .00 22, .27

2026 CA THR A 257 2. .194 51. .164 26, .704 1. .00 20, .56 2027 CB THR A 257 1. .131 51. .925 25, .882 1. .00 21, .52

2028 OGl THR A 257 0, .601 53. .001 26, .670 1, .00 20, .36

2029 CG2 THR A 257 0. .006 50. .982 25, .454 1. .00 20, .57

2030 C THR A 257 2. .520 49. .856 25, .989 1. .00 20, .72

2031 O THR A 257 2. .211 48. .774 26, .487 1. .00 20, .01 2032 N GLU A 258 3. .152 49. .947 24 , .825 1. .00 21, .29

2033 CA GLU A 258 3. .477 48. .749 24. .051 1. .00 22. .00

2034 CB GLU A 258 3. .924 49. .141 22. .639 1. .00 22. .90 2035 CG GLU A 258 2.911 49.968 21.890 1.00 27.19

2036 CD GLU A 258 1.651 49.194 21.551 1.00 30.59

2037 OEl GLU A 258 0.665 49.844 21.151 1, .00 34 , .72

2038 OE2 GLU A 258 1.647 47.946 21.668 1 , .00 30, .51

2039 C GLU A 258 4.539 47.843 24.665 1, .00 21, .19 2040 O GLU A 258 4.521 46.627 24.464 1. .00 22, .06 2041 N ARG A 259 5.465 48.422 25.419 1, .00 20, .61

2042 CA ARG A 259 6.538 47.625 25.998 1. .00 19, .60

2043 CB ARG A 259 7.855 48.416 25.925 1. .00 18, .68

2044 CG ARG A 259 8.250 48.819 24.496 1. .00 20. .41

2045 CD ARG A 259 9.505 49.700 24.477 1. .00 20. .80

2046 NE ARG A 259 10.663 49.016 25.053 1. .00 20. .64

2047 CZ ARG A 259 11.853 49.583 25.240 1. .00 22. .89

2048 NHl ARG A 259 12.054 50.853 24.900 1. .00 20. .65

2049 NH2 ARG A 259 12.842 48.880 25.774 1 .00 22, .10

2050 C ARG A 259 6.299 47.154 27.428 1 .00 20, .27 2051 O ARG A 259 6.797 46.102 27.826 1 .00 20, .37 2052 N LEU A 260 5.523 47.919 28.187 1 .00 18, .86 2053 CA LEU A 260 5.276 47.589 29.582 1, .00 19, .29 2054 CB LEU A 260 5.858 48.699 30.460 1 .00 19, .15 2055 CG LEU A 260 5.578 48.622 31.961 1. .00 19, .94

2056 CDl LEU A 260 6.198 47.360 32.524 1. .00 18, .37

2057 CD2 LEU A 260 6.136 49.868 32.657 1. .00 18, .25

2058 C LEU A 260 3.822 47.335 29.993 1. .00 20. .80 2059 O LEU A 260 3.486 46.257 30.487 1, .00 21. .42

2060 N TYR A 261 2.963 48.323 29.786 1, .00 20. .53 2061 CA TYR A 261 1.572 48.189 30.203 1. .00 20. .50

2062 CB TYR A 261 0.845 49.521 30.011 1. .00 20. .73

2063 CG TYR A 261 1.523 50.667 30.739 1. .00 21. .03 2064 CDl TYR A 261 2.206 50.443 31.933 1, .00 20, .50

2065 CEl TYR A 261 2.809 51.479 32.624 1, .00 21, .64

2066 CD2 TYR A 261 1.462 51.973 30.250 1, .00 21, .59

2067 CE2 TYR A 261 2.066 53.029 30.941 1.00 22.42

2068 CZ TYR A 261 2.736 52.769 32.128 1.00 23.20 2069 OH TYR A 261 3.325 53.787 32.839 1.00 25.54

2070 C TYR A 261 0.767 47.053 29.581 1.00 20.20

2071 O TYR A 261 0.033 46.369 30.292 1.00 24.04 2072 N VAL A 262 0..898 46,.828 28,.277 1..00 19,.89

2073 CA VAL A 262 0. .127 45. .755 27, .641 1. .00 20, .62

2074 CB VAL A 262 0. .169 45. .841 26. .088 1 , .00 20, .35

2075 CGI VAL A 262 0. .373 47. .187 25. .630 1. .00 22, .22

2076 CG2 VAL A 262 1. .597 45. .622 25, .574 1. .00 18, .86

2077 C VAL A 262 0. .595 44, .368 28, .057 1. .00 21. .08

2078 O VAL A 262 0. .100 43, .374 27, .824 1. .00 21. .49

2079 N GLY A 263 1, .772 44 .290 28 .669 1. .00 18. .19

2080 CA GLY A 263 2, .279 42 .994 29 .082 1 .00 19. .71

2081 C GLY A 263 33,. .778833 42 .852 28 .928 1 .00 20. .49

2082 0 GLY A 263 44...447788 4433..881122 28.605 11..0000 1199,..1188

2083 N GLY A 264 4.288 41.646 29.155 1.00 20.24

2084 CA GLY A 264 5.717 41.426 29.042 1.00 22.05

2085 C GLY A 264 66., .119900 4400., .330044 29. .942 11., .0000 2244. .3344

2086 O GLY A 264 55., .339900 3399., .772211 30. .686 11.. .0000 2233. .1100

2087 N PRO A 265 77., .449944 39, .982 29. .905 1, .00 23 .84

2088 CD PRO A 265 88., .552222 40, .601 29. .042 1, .00 24 .24

2089 CA PRO A 265 88., .007755 3388., .991122 30. .722 1, .00 23 .79

2090 CB PRO A 265 9, .400 38, .624 30. .018 1. .00 24 .10

2091 CG PRO A 265 9, .825 39, .988 29. .574 1. .00 23 .56

2092 C PRO A 265 8, .274 39, .288 32. .181 1. .00 23 .44

2093 O PRO A 265 8, .540 40, .450 32. .511 1. .00 24 .31

2094 N MET A 266 8, .150 38, .290 33. .048 1. .00 23 .49

2095 CA MET A 266 88,..332266 3388,..448855 34..483 11...0000 2233..6677

2096 CB MET A 266 7.021 38.196 35.241 1.00 21.41

2097 CG MET A 266 5.812 38.972 34.754 1.00 22.11

2098 SD MET A 266 4.309 38.467 35.636 1.00 24.89

2099 CE MET A 266 4.079 36.825 34.997 1.00 21.72

2100 C MET A 266 9.391 37.537 35.016 1.00 22.83

2101 O MET A 266 9.425 36.359 34.659 1.00 24.45

2102 N THR A 267 10.261 38.054 35.871 1.00 22.93

2103 CA THR A 267 11.281 37.225 36.495 1.00 23.21

2104 CB THR A 267 12.701 37.803 36.296 1.00 25.86

2105 OGl THR A 267 12.748 39.134 36.823 1.00 26.74

2106 CG2 THR A 267 13.076 37.832 34.818 1.00 25.91

2107 C THR A 267 10.975 37.237 37.989 1.00 24.60

2108 O THR A 267 10.329 38.168 38.489 1.00 24.21 2109 N ASN A 268 11,.405 36..204 38..704 1..00 24 ,.68

2110 CA ASN A 268 11, .187 36. .180 40. .145 1. .00 25. .33

2111 CB ASN A 268 11, .146 34. .748 40. .690 1. .00 24 , .23

2112 CG ASN A 268 12, .404 33. .956 40. .377 1. .00 26, .59

2113 ODl ASN A 268 13, .478 34. .520 40. .151 1. .00 26, .93

2114 ND2 ASN A 268 12, .278 32. .637 40, .384 1. .00 22, .72

2115 C ASN A 268 12, .341 36. .959 40, .774 1. .00 26, .42

2116 0 ASN A 268 13. .161 37. .534 40, .055 1. .00 26, .45

2117 N SER A 269 12. .414 36. .973 42, .101 1. .00 27, .92

2118 CA SER A 269 13, .468 37. .715 42, .793 1. .00 29, .32

2119 CB SER A 269 13, .193 37. .750 44 , .297 1. .00 28, .03

2120 OG SER A 269 13, .276 36. .454 44, .855 1. .00 26, .97

2121 C SER A 269 14 , .863 37. .147 42, .539 1. .00 30, .28

2122 0 SER A 269 15, .863 37. .822 42, .773 1. .00 31, .10

2123 N LYS A 270 14 , .928 35. .906 42 .071 1. .00 31, .98

2124 CA LYS A 270 16, .213 35. .277 41, .778 1. .00 34 , .21

2125 CB LYS A 270 16, .145 33, .771 42, .040 1. .00 36, .22

2126 CG LYS A 270 15, .796 33. .396 43, .474 1. .00 42, .41

2127 CD LYS A 270 16, .773 34. .012 44, .465 1. .00 49, .83

2128 CE LYS A 270 16, .391 33. .682 45, .907 1. .00 54. .18

2129 NZ LYS A 270 17, .284 34. .350 46, .900 1. .00 54 , .31

2130 C LYS A 270 16, .613 35, .527 40, .324 1. .00 33 , .30

2131 0 LYS A 270 17, .595 34. .968 39, .836 1. .00 34 , .53

2132 N GLY A 271 15, .846 36. .369 39, .637 1. .00 32. .73

2133 CA GLY A 271 16, .138 36. .680 38. .248 1. .00 30, .02

2134 C GLY A 271 15, .848 35. .546 37. .281 1. .00 29, .12

2135 0 GLY A 271 16, .338 35. .555 36. .151 1. .00 31, .06

2136 N GLN A 272 15, .052 34. .570 37, .708 1. .00 26 , .53

2137 CA GLN A 272 14.718 33.439 36.843 1.00 27.11

2138 CB GLN A 272 14.525 32.174 37.673 1.00 27.83

2139 CG GLN A 272 15.634 31.922 38.664 1.00 34.33

2140 CD GLN A 272 15.366 30.709 39.525 1.00 37.49

2141 OEl GLN A 272 14.230 30.470 39.944 1.00 38.50

2142 NE2 GLN A 272 16.412 29.940 39.808 1.00 39.26

2143 C GLN A 272 13.449 33.711 36.033 1.00 26.42

2144 O GLN A 272 12.540 34.398 36.503 1.00 26.06 2145 N ASN A 273 13.403 33.170 34.816 1.00 24.65 2146 CA ASN A 273 12.256 33.336 3333..991144 1.00 24 ,.04 2147 CB ASN A 273 12.552 32.620 3322..559933 1.00 22 .51 2148 CG ASN A 273 11.504 32.881 3311..552266 1.00 22 .85

2149 ODl ASN A 273 11.483 32.210 3300..449911 1.00 24 .25

2150 ND2 ASN A 273 10.641 33.860 3311..776633 1.00 19, .46

2151 C ASN A 273 11.017 32.728 3344..558899 1.00 22 .20 2152 0 ASN A 273 10.893 31.507 3344..667711 1.00 22 .29 2153 N CYS A 274 10.097 33.577 3355..004444 1.00 21, .12 2154 CA CYS A 274 8.905 33.104 3355..776655 1.00 21, .62 2155 CB CYS A 274 8.636 34.031 3366..995566 1.00 21, .08 2156 SG CYS A 274 7.440 33.416 3388..118833 1.00 28, .67 2157 C CYS A 274 7.620 32.949 3344..995500 1.00 21, .81 2158 O CYS A 274 6.925 31.939 3355..006655 1.00 22, .40 2159 N GLY A 275 7.291 33.953 3344..114488 1.00 21, .65 2160 CA GLY A 275 6.080 33.872 33.351 1.00 21 .83 2161 C GLY A 275 5.924 35.049 32.419 1.00 22 .51 2162 0 GLY A 275 6.788 35.927 3322..336666 1.00 22 .55 2163 N TYR A 276 4.818 35.081 3311..668833 1.00 20 .80

2164 CA TYR A 276 4.579 36.170 3300..774400 1.00 20 .92

2165 CB TYR A 276 4.703 35.654 2299..330044 1.00 20 .07

2166 CG TYR A 276 5.042 36.741 2288..332211 1.00 21, .49

2167 CDl TYR A 276 6.373 37.010 27.970 1.00 23.27 2168 CEl TYR A 276 6.690 38.059 27.093 1.00 19.76

2169 CD2 TYR A 276 4, .043 37, .539 27, .777 1. .00 20. .09

2170 CE2 TYR A 276 4 , .345 38, .581 26, .912 1, .00 23. .39

2171 CZ TYR A 276 5, .669 38, .838 26, .573 1, .00 22. .69

2172 OH TYR A 276 5, .950 39, .884 25, .727 1, .00 23. .71 2173 C TYR A 276 3, .184 36, .748 30, .970 1. .00 21, .52 2174 0 TYR A 276 2, .199 36 .018 30, .995 1, .00 21 .32 2175 N ARG A 277 3, .113 38 .062 31, .123 1, .00 21, .91 2176 CA ARG A 277 1, .853 38 .742 31, .395 1, .00 21, .84 2177 CB ARG A 277 2, .094 39 .839 32, .441 1, .00 20, .70

2178 CG ARG A 277 0, .947 40 .825 32, .636 1, .00 23, .88

2179 CD ARG A 277 1, .326 41, .899 33 , .657 1, .00 22, .79

2180 NE ARG A 277 2. .533 42, .603 33. .240 1, .00 23 , .63 2181 CZ ARG A 277 2, .550 43, .700 32. .483 1 , .00 24 , .75

2182 NHl ARG A 277 1, .414 44 , .251 32. .058 1. .00 19, .93 2183 NH2 ARG A 277 3..716 44..225 32..114 1..00 23..40

2184 C ARG A 277 1, .202 39. .353 30. .163 1. .00 21. .65

2185 0 ARG A 277 1, .884 39. .898 29. .303 1. .00 22. .05

2186 N ARG A 278 -0, .123 39. .245 30. .085 1. .00 20, .91

2187 CA ARG A 278 -0, .893 39. .839 28. .993 1. .00 20, .05

2188 CB ARG A 278 -1, .281 38. .785 27. .942 1. .00 19, .85

2189 CG ARG A 278 -0, .085 38. .250 27. .150 1. .00 19, .91

2190 CD ARG A 278 -0. .498 37. .333 26. .004 1. .00 20. .94

2191 NE ARG A 278 0. .649 37. .005 25. .158 1. .00 21. .86

2192 CZ ARG A 278 1, .537 36. .053 25. .429 1. .00 22. .05

2193 NHl ARG A 278 1. .417 35. .310 26. .521 1. .00 19. .35

2194 NH2 ARG A 278 2. .563 35. .855 24. .609 1. .00 23 , .38

2195 C ARG A 278 -2, .142 40. .490 29. .592 1. .00 20, .62

2196 0 ARG A 278 -3, .219 40. .475 28. .996 1. .00 20, .78

2197 N CYS A 279 -1, .972 41. .062 30. .782 1. .00 19, .31

2198 CA CYS A 279 -3. .050 41. .742 31, .504 1. .00 20, .86

2199 CB CYS A 279 -3. .722 40. .788 32, .499 1. .00 19, .95

2200 SG CYS A 279 -2, .641 40, .126 33, .808 1. .00 14, .06

2201 C CYS A 279 -2, .444 42, .922 32, .257 1, .00 22, .05

2202 0 CYS A 279 -1. .278 43, .257 32, .055 1 , .00 22, .15

2203 N ARG A 280 -3. .231 43, .547 33 .127 1. .00 21, .09

2204 CA ARG A 280 -2 .751 44 , .686 33, .904 1. .00 19, .46

2205 CB ARG A 280 -3 .887 45, .273 34, .755 1. .00 19, .11

2206 CG ARG A 280 -3 .415 46, .300 35 .796 1, .00 16 .09

2207 CD ARG A 280 -3, .329 47, .696 35 .200 1, .00 17 .81

2208 NE ARG A 280 -4 .663 48, .184 34 .863 1, .00 20 .90

2209 CZ ARG A 280 -4 .989 48, .793 33 .725 1, .00 21 .63

2210 NHl ARG A 280 -4 .076 49, .014 32 .782 1, .00 21 .38

2211 NH2 ARG A 280 -6 .244 49, .162 33 .518 1, .00 22 .29

2212 C ARG A 280 -1 .603 44 , .347 34 .849 1. .00 20 .57

2213 0 ARG A 280 -1 .630 43, .320 35 .536 1 , .00 21 .40

2214 N ALA A 281 -0 .597 45, .219 34 .891 1, .00 20 .67

2215 CA ALA A 281 0 .514 45, .040 35 .820 1. .00 19 .25

2216 CB ALA A 281 1 .771 45, .717 35 .295 1. .00 18 .82

2217 C ALA A 281 0 .024 45, .734 37 .094 1. .00 20 .04

2218 0 ALA A 281 -0, .452 46. .873 37, .050 1. .00 19, .41

2219 N SER A 282 0, .126 45. .049 38, .224 1. .00 18. .93

14 2220 CA SER A 282 0.343 45.610 39.485 1.00 22.55

2221 CB SER A 282 0.555 44.485 40.503 1.00 22.60

2222 OG SER A 282 0.548 43.595 40.511 1.00 24.95

2223 C SER A 282 0.573 46.674 40.077 1.00 21.90 2224 O SER A 282 0.153 47.443 40.941 1.00 21.96

2225 N GLY A 283 1.812 46.741 39.594 1.00 22.15

2226 CA GLY A 283 2.744 47.713 40.134 1.00 21.23

2227 C GLY A 283 3.328 48.753 39.194 1.00 21.25

2228 O GLY A 283 4.543 48.927 39.156 1.00 22.56 2229 N VAL A 284 2.483 49.440 38.428 1.00 21.77

2230 CA VAL A 284 2 .967 50 .493 37, .541 1, .00 18 .57

2231 CB VAL A 284 2. .748 50 .165 36, .035 1. .00 19 .16

2232 CGI VAL A 284 3, .632 48 .998 35, .633 1. .00 16, .86

2233 CG2 VAL A 284 1, .279 49 .862 35, .750 1. .00 19, .49 22223344 C VAL A 284 2, .240 51 .774 37, .905 1. .00 21, .15 2235 0 VAL A 284 1 .235 51 .737 38 .612 1. .00 21 .35 2236 N LEU A 285 2 .743 52 .910 37, .431 1, .00 22 .26 2237 CA LEU A 285 2 .125 54 .189 37, .758 1, .00 22, .17 2238 CB LEU A 285 2, .930 55 .338 37, .145 1. .00 22, .55

2239 CG LEU A 285 2, .389 56 .746 37, .421 1. .00 23, .71

2240 CDl LEU A 285 2, .328 56 .996 38, .929 1. .00 22. .89

2241 CD2 LEU A 285 3, .293 57, .775 36. .746 1. .00 23. .97 2242 C LEU A 285 0 .673 54 .300 37, .297 1. .00 20. .72 2243 O LEU A 285 0 .142 54 .950 37, .954 1. .00 22. .64 22224444 N THR A 286 0, .368 53 .663 36. .172 1. .00 19, .87

2245 CA THR A 286 0, .966 53, .699 35. .570 1. .00 21, .73

2246 CB THR A 286 0, .867 53, .528 34. .039 1. .00 19, .01

2247 OGl THR A 286 0, .109 52, .346 33. .745 1. .00 21. .63

2248 CG2 THR A 286 0, .175 54 , .731 33. .403 1. .00 21. .70 2249 C THR A 286 1. .961 52. .655 36. ,084 1. .00 21. .82

2250 O THR A 286 3. .082 52, .577 35. .586 1. .00 24. .21

2251 N THR A 287 1. .567 51, .846 37. .061 1. .00 21. .35

2252 CA THR A 287 2. .480 50, .821 37. .568 1. .00 22. .29

2253 CB THR A 287 1. .831 50, .013 38. .702 1. .00 22. .59 2254 OGl THR A 287 0. .637 49. .385 38. .211 1. .00 19. .70

2255 CG2 THR A 287 2. .792 48. .939 39. .212 1. .00 23. .15

2256 C THR A 287 3. .817 51. .406 38. .044 1. 00 20. ,56 2257 O THR A 287 4 ,.884 50,.972 37,.600 1..00 20,.06

2258 N SER A 288 3, .774 52 .398 38. .925 1. .00 21, .12

2259 CA SER A 288 5. .014 53, .002 39, .415 1. .00 21, .14

2260 CB SER A 288 4. .719 53, .962 40, .567 1 , .00 22, .61 2261 OG SER A 288 5. .915 54 .530 41, .073 1, .00 21, .82

2262 C SER A 288 5. .790 53, .746 38, .326 1. .00 23 , .28

2263 O SER A 288 7. .005 53, .574 38, .184 1. .00 23 , .41

2264 N CYS A 289 - 55.. .009944 5544,. .557744 37 .553 1. .00 21, .54

2265 CA CYS A 289 - 55,. .774477 5555. .333333 36 .493 1, .00 22, .47 2266 CB CYS A 289 4. .754 56, .303 35, .846 1. .00 23 , .96

2267 SG CYS A 289 5, .488 57 .300 34 .537 1. .00 24, .21

2268 C CYS A 289 6, .332 54 .404 35 .427 1, .00 22, .17

2269 O CYS A 289 7, .484 54 .556 35 .011 1. .00 20 .52

2270 N GLY A 290 -5.531 53.441 34.990 1.00 21.61 2271 CA GLY A 290 -6.002 52.501 33.987 1.00 20.96

2272 C GLY A 290 7.229 51.743 34.473 1.00 20.99

2273 O GLY A 290 8.239 51.649 33.767 1.00 20.74

2274 N ASN A 291 7.154 51.200 35.684 1.00 21.66

2275 CA ASN A 291 8.287 50.459 36.227 1.00 20.28 2276 CB ASN A 291 7.923 49.839 37.580 1.00 18.64

2277 CG ASN A 291 -7.128 48.560 37.421 1.00 18.27

2278 ODl ASN A 291 -6.971 48.060 36.308 1.00 19.44

2279 ND2 ASN A 291 -6.635 48.013 38.528 1.00 19.27

2280 C ASN A 291 -9.535 51.325 36.350 1.00 20.46 2281 O ASN A 291 ^•10.638 50.887 36.004 1.00 21.13

2282 N THR A 292 -9.361 52.554 36.822 1.00 18.24

2283 CA THR A 292 ^■10.487 53.468 36.981 1.00 18.48

2284 CB THR A 292 ^■10.053 54.808 37.604 1.00 18.00

2285 OGl THR A 292 -9.464 54.583 38.889 1.00 20.47 2286 CG2 THR A 292 ^■11.257 55.722 37.760 1.00 19.29

2287 C THR A 292 ^•11.152 53.765 35.641 1.00 19.79

2288 O THR A 292 ^■12.375 53.673 35.509 1.00 20.78

2289 N LEU A 293 ^■10.349 54.124 34.646 1.00 19.41

2290 CA LEU A 293 -10.870 54.429 33.319 1.00 18.13 2291 CB LEU A 293 -9.740 54.903 32.393 1.00 19.33

2292 CG LEU A 293 -9.158 56.293 32.674 1.00 19.90

2293 CDl LEU A 293 -7.918 56.514 31.820 1.00 20.48 2294 CD2 LEU A 293 ■10.214 57.359 32.384 1.00 19.37

2295 C LEU A 293 ■11.557 53.225 32.689 1.00 19.36

2296 0 LEU A 293 ■12.667 53.337 32.167 1.00 18.94

2297 N THR A 294 ^■10.902 52.071 32.749 1.00 18.90

2298 CA THR A 294 ■11.454 50.869 32.147 1.00 19.34

2299 CB THR A 294 ^■10.364 49.785 32.009 1.00 19.69

2300 OGl THR A 294 -9.400 50.226 31.043 1.00 22.12

2301 CG2 THR A 294 -10.955 48.469 31.540 1.00 17.61

2302 C THR A 294 -12.670 50.329 32.886 1.00 18.90

2303 0 THR A 294 -13.604 49.821 32.263 1.00 21.08

2304 N CYS A 295 ^■12.673 50.437 34.207 1.00 19.49

2305 CA CYS A 295 ^■13.824 49.969 34.967 1.00 18.75

2306 CB CYS A 295 13.530 50.025 36.467 1.00 20.24

2307 SG CYS A 295 ^•14.921 49.457 37.475 1.00 16.57

2308 C CYS A 295 ^■15.019 50.870 34.636 1.00 21.74

2309 0 CYS A 295 •16.142 50.395 34.436 1.00 19.81

2310 N TYR A 296 -14.761 52.176 34.578 1. .00 20. .58

2311 CA TYR A 296 -15.792 53.160 34.269 1. .00 21. .91

2312 CB TYR A 296 -15.202 54.569 34.354 1. .00 24 , .53

2313 CG TYR A 296 -16.170 55.654 33.956 1. .00 26. .62

2314 CDl TYR A 296 -17.092 56.158 34.870 1. .00 28. .24

2315 CEl TYR A 296 -18.011 57.134 34.499 1. .00 28. .33

2316 CD2 TYR A 296 ^■16.186 56.157 32.651 1. .00 28. .18

2317 CE2 TYR A 296 ^■17.099 57.134 32.268 1. .00 28. .13

2318 CZ TYR A 296 •18.012 57.615 33.199 1. .00 30. .74

2319 OH TYR A 296 ^■18.937 58.567 32.830 1. .00 34 , .91

2320 C TYR A 296 16.371 52.950 32.868 1. .00 23. .39

2321 O TYR A 296 ^•17.590 53.015 32.666 1. .00 22, .42

2322 N LEU A 297 ^■15.490 52.717 31.901 1. .00 19, .55

2323 CA LEU A 297 ^•15.899 52.510 30.515 1. .00 21, .28

2324 CB LEU A 297 ^■14.662 52.296 29.634 1. .00 19. .17

2325 CG LEU A 297 -14.852 51.764 28.209 1. .00 20. .07

2326 CDl LEU A 297 -15.801 52.670 27.425 1. .00 16, .46

2327 CD2 LEU A 297 -13.481 51.674 27.516 1. .00 16. .71

2328 C LEU A 297 -16.833 51.312 30.390 1. .00 21. .69

2329 O LEU A 297 •17.953 51.430 29.884 1. .00 21 .29

2330 N LYS A 298 ^■16.361 50.159 30.853 1, .00 19 .11 2331 CA LYS A 298 -17.149 48.938 30.794 1.00 20.58

2332 CB LYS A 298 -16.306 47.759 31.292 1.00 19.34

2333 CG LYS A 298 ^■15.130 47.443 30.358 1.00 19.75

2334 CD LYS A 298 ^■14.265 46.295 30.858 1.00 17.03

2335 CE LYS A 298 -13.130 46.006 29.879 1.00 17.97

2336 NZ LYS A 298 ^■12.294 44.840 30.288 1.00 14.44

22333377 C LYS A 298 -18.454 49.045 31.591 1.00 20.64 22333388 0 LYS A 298 -19.523 48.672 31.093 1.00 19.46 22333399 N ALA A 299 -18.374 49.565 32.813 1.00 19.51

2340 CA ALA A 299 ^■19.563 49.692 33.653 1.00 20.39

2341 CB ALA A 299 ^■19.168 50.079 35.076 1.00 17.08

22334422 C ALA A 299 -20.584 50.688 33.092 1.00 22.44 22334433 0 ALA A 299 -21.792 50.431 33.123 1.00 22.35 22334444 N ALA A 300 -20.112 51.826 32.593 1.00 21.39 22334455 CA ALA A 300 -21.015 52.820 32.026 1.00 22.08 22334466 CB ALA A 300 -20.237 54.048 31.574 1.00 23.15 22334477 C ALA A 300 -21.762 52.207 30.840 1.00 23.96 22334488 0 ALA A 300 -22.957 52.439 30.666 1.00 23.41 22334499 N ALA A 301 -21.057 51.421 30.030 1.00 22.90

2350 CA ALA A 301 -21.680 50.782 28.880 1.00 23.91

2351 CB ALA A 301 -20.618 50.149 27.986 1.00 23.31

22335522 C ALA A 301 -22.661 49.718 29.370 1.00 23.49 22335533 0 ALA A 301 -23.756 49.572 28.834 1.00 24.09 22335544 N ALA A 302 -22.259 48.987 30.401 1.00 22.89

2355 CA ALA A 302 -23.093 47.939 30.970 1.00 22.45

2356 CB ALA A 302 -22.323 47.193 32.044 1.00 21.61

22335577 C ALA A 302 -24.390 48.505 31.552 1.00 22.65 22335588 0 ALA A 302 -25.432 47.851 31.509 1.00 22.89 22335599 N CYS A 303 -24.319 49.710 32.106 1.00 21.87

2360 CA CYS A 303 -25.499 50.353 32.679 1.00 23.30

2361 CB CYS A 303 -25.136 51.711 33.297 1.00 21.80

2362 SG CYS A 303 -24.285 51.663 34.900 1.00 28.29

2363 C CYS A 303 -26.542 50.564 31.581 1.00 25.16

2364 0 CYS A 303 -27.749 50.408 31.817 1.00 24.34

2365 N ARG A 304 -26.067 50.915 30.386 1.00 25.52

2366 CA ARG A 304 -26.939 51.159 29.243 1.00 25.87

2367 CB ARG A 304 -26.162 51.840 28.108 1.00 26.27 2368 CG ARG A 304 -25.694 53.239 28.484 1.00 28.76

2369 CD ARG A 304 -24.980 53.957 27.346 1.00 28.37

2370 NE ARG A 304 -24.414 55.211 27.830 1.00 27.88

2371 CZ ARG A 304 -23.834 56.127 27.063 1.00 29.28

2372 NHl ARG A 304 -23.742 55.940 25.753 1.00 30.37 2373 NH2 ARG A 304 -23.334 57.227 27.614 1.00 28.24

2374 C ARG A 304 -27.598 49.889 28.735 1.00 25.91

2375 0 ARG A 304 -28.773 49.908 28.367 1.00 27.17

2376 N ALA A 305 -26.853 48.788 28.716 1.00 24.25 22337777 CA ALA A 305 -27.403 47.515 28.265 1.00 25.41

2378 CB ALA A 305 -26.290 46.483 28.116 1.00 22.16

2379 C ALA A 305 -28.431 47.025 29.286 1.00 25.40

2380 O ALA A 305 -29.414 46.367 28.936 1.00 24.64

2381 N ALA A 306 -28.191 47.355 30.550 1.00 23.44

2382 CA ALA A 306 -29.070 46.948 31.644 1.00 24.51

2383 CB ALA A 306 -28.283 46.916 32.953 1.00 21.31

2384 C ALA A 306 ^■30.266 47.877 31.789 1.00 24.02

2385 O ALA A 306 ^■31.213 47.570 32.514 1.00 25.50

2386 N LYS A 307 ^•30.204 49.016 31.111 1.00 24.86

2387 CA LYS A 307 ■31.264 50.010 31.156 1.00 28.15

2388 CB LYS A 307 ^■32.547 49.450 30.530 1.00 28.81

2389 CG LYS A 307 ^■32.442 49.158 29.033 1.00 29.72

2390 CD LYS A 307 •32.169 50.421 28.229 1.00 30.06 2391 CE LYS A 307 -33.261 51.465 28.454 1.00 32.33 22339922 NZ LYS A 307 -33.096 52.642 2277..555566 1.00 33.98 2393 C LYS A 307 31.556 50.508 32.568 1.00 29.05 2394 O LYS A 307 32.717 50.671 32.950 1.00 31.04 2395 N LEU A 308 -30.505 50.751 33.344 1.00 28.60 2396 CA LEU A 308 -30.678 51.260 34.700 1.00 29.69 22339977 CB LEU A 308 -29.336 51.284 35.441 1.00 27.61

2398 CG LEU A 308 ■28.611 49.937 35.542 1.00 27.88

2399 CDl LEU A 308 •27.333 50.115 36.343 1.00 30.50

2400 CD2 LEU A 308 -29.523 48.894 3366..119977 1.00 27.68

2401 C LEU A 308 -31.236 52.674 34.575 1.00 30.15 2402 O LEU A 308 -30.804 53.435 33.711 1.00 31.24

2403 N GLN A 309 -32.194 53.024 35.429 1.00 31.08

2404 CA GLN A 309 -32.811 54.348 35.374 1.00 34.60

19 2405 CB GLN A 309 -34.280 54.287 35.799 1.00 37.86

2406 CG GLN A 309 -35.087 53.135 35.236 1.00 44.54

2407 CD GLN A 309 -36.532 53.161 35.721 1.00 47.60 2408 OEl GLN A 309 -37.282 52.203 35.530 1.00 49.57

2409 NE2 GLN A 309 -36.929 54.267 36.345 1.00 47.83 2410 C GLN A 309 - 32 . 112 55.348 36.282 1.00 33.70

2411 0 GLN A 309 ^■ 31 . 867 55.063 37.459 1.00 32.71 2412 N ASP A 310 • 31 . 819 56.522 35.730 1.00 32.40 2413 CA ASP A 310 ^■ 31 . 172 57.602 36.470 1.00 33.93 2414 CB ASP A 310 ^■ 32 . 233 58.352 37.292 1 . 00 35 . 85 2415 CG ASP A 310 ^■ 31 . 675 59.572 38.010 1 . 00 38 . 72 2416 ODl ASP A 310 -30.835 60.289 37.425 1.00 38.52

2417 OD2 ASP A 310 -32.096 59.823 39.158 1.00 41.29

2418 C ASP A 310 30.063 57.062 37.373 1.00 32.40

2419 O ASP A 310 30.028 57.340 38.571 1.00 32.25 2420 N CYS A 311 -2299..115544 56.289 36.787 1.00 31.39 2421 CA CYS A 311 - 2288..006655 55.706 37.555 1.00 31.36 2422 CB CYS A 311 -27.608 54.386 36.925 1.00 32.58 2423 SG CYS A 311 -26.798 54.555 35.335 1.00 39.83 2424 C CYS A 311 -26.868 56.636 37.70! 1.00 29.63 2425 O CYS A 311 -26.598 57.486 36.860 1.00 28.38 2426 N THR A 312 -26.158 56.453 38.813 1.00 27.36 2427 CA THR A 312 -24.978 57.233 39.132 1.00 25.97 2428 CB THR A 312 -25.262 58.193 40.297 1.00 26.60

2429 OGl THR A 312 -26.337 59.070 39.938 1.00 27.64

2430 CG2 THR A 312 -24.029 59.015 40.629 1.00 25.53

2431 C THR A 312 -23.895 56.238 39.542 1.00 25.64

2432 O THR A 312 -24.138 55.341 40.349 1.00 25.23

2433 N MET A 313 -22.708 56.390 38.969 1.00 25.14

2434 CA MET A 313 -21.596 55.503 39.277 1.00 25.96

2435 CB MET A 313 -20.945 55.000 37.986 1.00 27.30

2436 CG MET A 313 -21.818 54.111 37.122 1.00 31.24

2437 SD MET A 313 -21.087 53.823 35.489 1.00 35.00

2438 CE MET A 313 -19.446 53.278 35.936 1.00 36.77

2439 C MET A 313 ^■20.541 56.233 40.095 1.00 24.77

2440 O MET A 313 ^■20.386 57.446 39.976 1.00 26.24

2441 N LEU A 314 19.833 55.483 40.933 1.00 24.08 2442 CA LEU A 314 ■18.747 56.016 41.746 1.00 22.81

2443 CB LEU A 314 ^•19.156 56.153 43.216 1.00 22.96

2444 CG LEU A 314 ^■18.069 56.766 44.110 1.00 21.75

2445 CDl LEU A 314 ^■17.665 58.128 43.558 1.00 23.11 2446 CD2 LEU A 314 ^•18.579 56.900 45.537 1.00 22.03

2447 C LEU A 314 -17.654 54.968 41.583 1.00 21.55

2448 0 LEU A 314 -17.823 53.814 41.976 1.00 20.82

2449 N VAL A 315 16.531 55.377 41.005 1.00 20.86

2450 CA VAL A 315 15.447 54.450 40.713 1.00 20.01 2451 CB VAL A 315 -15.263 54.353 39.178 1.00 20.45

2452 CGI VAL A 315 -14.280 53.247 38.826 1.00 17.64

2453 CG2 VAL A 315 ^■16.620 54.136 38.505 1.00 20.70

2454 C VAL A 315 ^•14.098 54.799 41.331 1.00 21.24

2455 O VAL A 315 ^■13.643 55.938 41.226 1.00 21.42 2456 N ASN A 316 •13.467 53.800 4411..995533 1.00 19.66

2457 CA ASN A 316 ^■12.147 53.928 42.583 1.00 22.09

2458 CB ASN A 316 ^•12.250 53.842 44.115 1.00 20.73

2459 CG ASN A 316 ^•12.906 55.068 44.743 1.00 19.84

2460 ODl ASN A 316 12.292 55.766 45.557 1.00 23.68

2461 ND2 ASN A 316 ^■14.153 55.327 44.379 1.00 17.90

2462 C ASN A 316 -11.319 52.735 42.083 1.00 22.26

2463 O ASN A 316 11.323 51.670 42.704 1.00 22.36

2464 N GLY A 317 ^•10.614 52.903 40.969 1.00 20.51

2465 CA GLY A 317 -9.849 51.786 40.440 1.00 20.19

2466 C GLY A 317 ^■10.837 50.705 40.022 1.00 20.33

2467 O GLY A 317 ^■11.780 50.984 39.278 1.00 19.63

2468 N ASP A 318 ^■10.649 49.482 40.508 1.00 20.86

2469 CA ASP A 318 ^■11.551 48.388 40.156 1.00 23.07

2470 CB ASP A 318 -10.810 47.052 40.233 1.00 26.03 2471 CG ASP A 318 -10.434 46.672 41.652 1.00 30.27

2472 ODl ASP A 318 -10.115 47.576 42.448 1.00 32.79

2473 OD2 ASP A 318 ^•10.444 45.462 41.968 1.00 35.32

2474 C ASP A 318 •12.781 48.341 41.063 1.00 23.65

2475 O ASP A 318 -13.647 47.480 40.902 1.00 23.12 2476 N ASP A 319 -12.864 49.269 42.010 1.00 21.77

2477 CA ASP A 319 -13.996 49.284 42.930 1.00 22.56

2478 CB ASP A 319 ^•13.585 49.867 44.277 1.00 25.80 2479 CG ASP A 319 ^■14.532 49.464 45.382 1.00 31.01

2480 ODl ASP A 319 ^■14.223 48.484 46.095 1.00 33.06

2481 OD2 ASP A 319 -15.595 50.111 45.518 1.00 32.00

2482 C ASP A 319 -15.147 50.096 42.350 1.00 22.90

2483 O ASP A 319 -14.985 51.268 42.018 1.00 21.49

2484 N LEU A 320 -16.318 49.475 42.262 1.00 20.54

2485 CA LEU A 320 ^■17.482 50.131 41.677 1.00 19.19

2486 CB LEU A 320 -17.725 49.549 40.280 1.00 20.06

2487 CG LEU A 320 -19.035 49.901 39.574 1.00 21.68

2488 CDl LEU A 320 -19.041 51.380 39.216 1.00 22.12

2489 CD2 LEU A 320 -19. .185 49, .044 38, .320 1. .00 20, .58

2490 C LEU A 320 -18. .767 50, .009 42, .490 1. .00 21, .87

2491 0 LEU A 320 -19. .103 48, .935 42, .989 1. .00 21, .55

2492 N VAL A 321 -19. .479 51, .122 42, .614 1. .00 20, .50

2493 CA VAL A 321 -20. .755 51 .146 43 .311 1. .00 21, .70

2494 CB VAL A 321 -20. .637 51 .791 44 .728 1, .00 22 .58

2495 CGI VAL A 321 -20. .242 53 .250 44 .619 1, .00 22 .38

2496 CG2 VAL A 321 -21, .952 51 .642 45 .481 1, .00 24, .31

2497 C VAL A 321 -21, .697 51 .955 42 .418 1, .00 22, .27

2498 0 VAL A 321 -21, .293 52 .959 41 .820 1, .00 21, .75

2499 N VAL A 322 -22, .937 51 .492 42 .297 1, .00 22, .60

2500 CA VAL A 322 -23, .933 52 .161 41 .465 1, .00 24 , .08

2501 CB VAL A 322 -24 , .308 51 .309 40 .220 1, .00 25, .08

2502 CGI VAL A 322 -25, .306 52 .072 39 .342 1, .00 24. .08

2503 CG2 VAL A 322 -23. .059 50, .949 39, .428 1. .00 25, .10

2504 C VAL A 322 -25. .213 52, .403 42, .245 1. .00 25. .92

2505 0 VAL A 322 -25. .679 51, .525 42, .978 1. .00 25. .06

2506 N ILE A 323 -25. .773 53 , .599 42, .080 1. .00 25. .74

2507 CA ILE A 323 -27. .029 53 .974 42 .723 1, .00 25. .50

2508 CB ILE A 323 -26. .848 55 .185 43 .676 1. .00 25. .96

2509 CG2 ILE A 323 -28, .214 55 .670 44 .181 1, .00 24. .52

2510 CGI ILE A 323 -25. .961 54 .784 44 .857 1. .00 25. .58

2511 CDl ILE A 323 -25. .650 55, .926 45 .799 1. .00 26. .06

2512 C ILE A 323 -27. .986 54 , .357 41, .597 1. .00 26. .30

2513 0 ILE A 323 -27. .628 55, .121 40, .698 1. .00 24. .95

2514 N CYS A 324 -29. .200 53 , .820 41, .633 1. .00 25. .90

2515 CA CYS A 324 -30. .163 54 , .117 40. .584 1. .00 26. .33 2516 CB CYS A 324 -30.025 53.096 39.453 1..00 23..99 2517 SG CYS A 324 -30.425 51.396 39.931 1. .00 26. .95 2518 C CYS A 324 -31.597 54.122 41.089 1. .00 27. .71 2519 O CYS A 324 -31.857 53.903 42.271 1. .00 28. .00 2520 N GLU A 325 -32.523 54.370 40.171 1. .00 29. .08 2521 CA GLU A 325 -33.942 54.409 40.484 1. .00 29. .30 2522 CB GLU A 325 -34.644 55.337 39.487 1. .00 30, .82 2523 CG GLU A 325 -35.996 55.827 39.936 1. .00 34 , .89 2524 CD GLU A 325 -35.922 56.676 41.193 1. .00 33 , .84 2525 OEl GLU A 325 -35.446 57.833 41.120 1. .00 35, .26

2526 OE2 GLU A 325 -36.334 56.178 42.257 1. .00 34 , .38

2527 C GLU A 325 -34.498 52.984 40.383 1, .00 28, .50

2528 O GLU A 325 -34.316 52.310 39.372 1 , .00 29, .65 2529 N SER A 326 -35.160 52.515 41.434 1, .00 26, .99

2530 CA SER A 326 -35.718 51.167 41.427 1, .00 25, .76

2531 CB SER A 326 -36.159 50.773 42.834 1, .00 24, .95

2532 OG SER A 326 -36.805 49.511 42.809 1. .00 25, .86

2533 C SER A 326 -36.904 51.014 40.477 1, .00 26, .21

2534 O SER A 326 -37.691 51.942 40.299 1. .00 25, .19

2535 N ALA A 327 -37.026 49.835 39.876 1. .00 26, .25

2536 CA ALA A 327 -38.129 49.542 38.962 1. .00 26, .68

2537 CB ALA A 327 -37.589 49.260 37.566 1. .00 25, .20

2538 C ALA A 327 -38.899 48.324 39.481 1. .00 26, .87

2539 O ALA A 327 -39.606 47.651 38.729 1. .00 28, .91

2540 N GLY A 328 -38.765 48.050 40.774 1, .00 26, .51

2541 CA GLY A 328 -39.429 46.892 41.347 1, .00 25, .65

2542 C GLY A 328 -38.348 45.871 41.625 1, .00 25, .62

2543 O GLY A 328 -37.356 45.830 40.899 1.00 24.79

2544 N THR A 329 -38.532 45.040 42.648 1.00 25.14

2545 CA THR A 329 -37.511 44.068 43.017 1.00 25.50

2546 CB THR A 329 -37.868 43.365 44.364 1.00 23.71

2547 OGl THR A 329 -39.164 42.768 44.279 1.00 24.57 2548 CG2 THR A 329 -37.850 44.379 45.513 1.00 19.35

2549 C THR A 329 -37.115 43.018 41.976 1.00 26.39

2550 O THR A 329 -35.921 42.767 41.792 1.00 24.75

2551 N GLN A 330 -38.081 42.403 41.292 1.00 24.93 2552 CA GLN A 330 -37.730 41.395 40.290 1.00 25.68 2553 CB GLN A 330 -38.968 40.601 39.839 1.00 23.87

2554 CG GLN A 330 -39.540 39.711 40.947 1.00 25.19

2555 CD GLN A 330 -40.607 38.736 40.457 1.00 27.82

2556 OEl GLN A 330 -40.460 37.517 40.591 1.00 28.42

2557 NE2 GLN A 330 -41.684 39.268 39.899 1.00 23.84

2558 C GLN A 330 -37.049 42.042 39.085 1.00 24.94

2559 O GLN A 330 -36.123 41.467 38.497 1.00 23.36 2560 N GLU A 331 -37.511 43.235 38.724 1.00 22.96 2561 CA GLU A 331 -36.931 43.966 37.605 1.00 24.49 22556622 CB GLU A 331 -37.766 45.214 37.283 1.00 23.20 2563 CG GLU A 331 -38.959 44.965 36.348 1.00 23.49 2564 CD GLU A 331 -40.173 44.326 37.030 1.00 25.66 2565 OEl GLU A 331 -40.067 43.851 38.183 1.00 22.55 2566 OE2 GLU A 331 -41.248 44.296 36.393 1.00 26.45 22556677 C GLU A 331 -35.496 44.376 37.966 1.00 25.25 2568 O GLU A 331 -34.589 44.295 37.133 1.00 26.41 2569 N ASP A 332 -35.298 44.811 39.209 1.00 25.23 2570 CA ASP A 332 -33.972 45.225 39.665 1.00 23.32 2571 CB ASP A 332 -34.053 45.793 41.086 1.00 23.44 2572 CG ASP A 332 -34.717 47.161 41.129 1.00 24.05 2573 ODl ASP A 332 -35.017 47.656 42.240 1.00 25.34 2574 OD2 ASP A 332 -34.934 47.745 40.047 1.00 24.00 2575 C ASP A 332 -33.005 44.043 39.608 1.00 24.17 2576 O ASP A 332 -31.857 44.189 39.181 1.00 22.23 2577 N ALA A 333 -33.469 42.872 40.031 1.00 23.35 2578 CA ALA A 333 -32.631 41.684 39.989 1.00 23.42

2579 CB ALA A 333 -33.365 40.494 40.599 1.00 23.37

2580 C ALA A 333 -32.297 41.407 38.525 1.00 25.47

2581 O ALA A 333 -31.164 41.041 38.184 1.00 24.89 2582 N ALA A 334 -33.290 41.599 37.658 1.00 23.78

2583 CA ALA A 334 -33.115 41.376 36.231 1.00 22.31

2584 CB ALA A 334 -34.456 41.535 35.502 1.00 22.73

2585 C ALA A 334 -32.081 42.321 35.622 1.00 21.78 2586 O ALA A 334 -31.220 41.889 34.856 1.00 21.78 22558877 N SER A 335 -32.177 43.606 35.945 1.00 21.31

2588 CA SER A 335 -31.239 44.576 35.403 1.00 24.51

2589 CB SER A 335 -31.655 46.002 35.788 1.00 22.42 2590 OG SER A 335 31.600 46.207 37.185 1.00 27.52 2591 C SER A 335 29.809 44.284 35.873 1.00 23.87 2592 O SER A 335 •28.858 44.451 35.110 1.00 24.12 2593 N LEU A 336 -29.652 43.837 37.116 1.00 24.90 2594 CA LEU A 336 -28.315 43.521 37.623 1.00 26.08 2595 CB LEU A 336 -28.347 43.249 39.131 1.00 24.50 2596 CG LEU A 336 -27.837 44.414 39.982 1.00 25.21 2597 CDl LEU A 336 -28.704 45.654 39.742 1.00 26.95 2598 CD2 LEU A 336 27.834 44.020 41.458 ^'l.OO 22.71 2599 C LEU A 336 27.729 42.325 36.891 1.00 26.57

2600 0 LEU A 336 -26.521 42.261 36.663 1.00 24.00

2601 N ARG A 337 -28.578 41.372 36.520 1.00 27.65

2602 CA ARG A 337 -28.090 40.214 35.792 1.00 30.19

2603 CB ARG A 337 -29.179 39.146 35.656 1.00 39.61

2604 CG ARG A 337 -28.717 37.930 34.872 1.00 52.90

2605 CD ARG A 337 -29.758 36.822 34.834 1.00 66.12

2606 NE ARG A 337 -29.339 35.736 33.951 1.00 76.92

2607 CZ ARG A 337 -29.974 34.574 33.831 1.00 82.73

2608 NHl ARG A 337 -31.065 34.335 34.541 1.00 87.15

2609 NH2 ARG A 337 -29.516 33.652 32, .995 11.. .0000 8866. .3333

2610 C ARG A 337 -27.597 40.641 34, .403 11.. .0000 2277.. .9933

2611 0 ARG A 337 ^•26.552 40.178 33, .949 11., .0000 2266. .5566

2612 N VAL A 338 ^■28.341 41.522 33, .732 1. .00 23 .69

2613 CA VAL A 338 ^■27.933 41.989 32, .408 1. .00 22 .66

2614 CB VAL A 338 -29.035 42.852 31, .726 1 , .00 21, .57

2615 CGI VAL A 338 -28.507 43.438 30, .426 1. .00 18, .33

2616 CG2 VAL A 338 -30.274 41.993 31, .445 1. .00 22 .39

2617 C VAL A 338 -26.655 42.818 32, .552 1, .00 21 .94

2618 0 VAL A 338 -25.745 42.711 31. .737 1. .00 21, .59

2619 N PHE A 339 -26.597 43.644 33. .591 1. .00 21, .67

2620 CA PHE A 339 -25.409 44.454 33. .844 1, .00 22 .86

2621 CB PHE A 339 -25.558 45.219 35. .159 1. .00 21 .11

2622 CG PHE A 339 -24.340 46.025 35. .537 1. .00 22, .65

2623 CDl PHE A 339 -24.150 47.307 35, .027 1. .00 22, .77

2624 CD2 PHE A 339 ^■23.377 45.492 36, .392 1. .00 22 .61

2625 CEl PHE A 339 -23.018 48.054 35. .360 1. .00 22, .70

2626 CE2 PHE A 339 -22.232 46.233 36. .736 1. .00 25, .23 2627 CZ PHE A 339 -22.056 47.515 3366...221177 1..00 22..76

2628 C PHE A 339 -24.208 43.509 3333.. .994422 1. .00 22. .90

2629 O PHE A 339 -23.152 43.766 3333.. .336633 1. .00 23. .29

2630 N THR A 340 -24.389 42.410 3344.. .667700 1. .00 21. .50 2631 CA THR A 340 -23.336 41.416 3344.. .886622 1. .00 22. .55

2632 CB THR A 340 -23.757 40.372 3355.. .992222 1. .00 21. .75

2633 OGl THR A 340 -23.925 41.026 3377.. .118855 1. .00 21. .13

2634 CG2 THR A 340 -22.705 39.274 3366.. .006622 1. .00 20. .78

2635 C THR A 340 -22.965 40.696 33, .565 1. .00 24, .59 2636 O THR A 340 -21.793 40.407 33, .314 1 .00 22, .71

2637 N GLU A 341 • 23 . 962 40 . 401 32, .738 1 .00 24 , .30

2638 CA GLU A 341 - 23 . 700 39 . 726 31, .477 1 .00 23, .66

2639 CB GLU A 341 - 25 . 023 39 . 286 30, .828 1 .00 26, .37

2640 CG GLU A 341 - 25 . 652 38 . 089 3311., .554422 1 .00 28, .66 2641 CD GLU A 341 -27.125 37.883 3311., .221166 1 .00 35, .04 2642 OEl GLU A 341 -27.633 36.770 3311., .449900 1 .00 35, .69

2643 OE2 GLU A 341 -27.777 38.822 3300., .770033 1 .00 33 , .44

2644 C GLU A 341 -22.908 40.635 3300., .554422 1 .00 22 , .51

2645 O GLU A 341 -22.014 40.168 2299., .883333 1 .00 22, .63 2646 N ALA A 342 -23.225 41.927 3300,. .554488 1 .00 20, .03

2647 CA ALA A 342 -22.519 42.879 2299,. .669944 1 .00 21, .53

2648 CB ALA A 342 -23.212 44.237 2299,. .772200 1, .00 18, .81

2649 C ALA A 342 -21.072 43.024 3300,. .116633 1, .00 22, .24

2650 O ALA A 342 -20.142 43.010 2299,. .335522 1, .00 24 , .67 2651 N MET A 343 •20.892 43.176 3311,. .447722 1. .00 21, .83

2652 CA MET A 343 -19.559 43.311 3322,. .004411 1, .00 21. .18

2653 CB MET A 343 -19.638 43.446 3333., .556655 1, .00 19. .19

2654 CG MET A 343 -20.141 44.803 3344., .004422 1, .00 20. .12

2655 SD MET A 343 - 19 . 004 46.155 3333., .662200 1, .00 25. .61 2656 CE MET A 343 - 17 . 834 46.033 3344., .997766 1, .00 21. .03

2657 C MET A 343 ^• 18 . 749 42 . 082 3311., .667700 1. .00 20. .99

2658 O MET A 343 17 . 582 42 . 180 3311.. .228877 1, .00 22. .14

2659 N THR A 344 ^■ 19 . 379 40 . 923 3311.. .777788 1, .00 19. .80

2660 CA THR A 344 18 . 724 39 . 666 3311.. .444411 1. .00 20. .27 2661 CB THR A 344 -19.657 38.483 3311.. .774488 1. .00 20. .41

2662 OGl THR A 344 -19.936 38.468 3333.. .115544 1. .00 21. .72

2663 CG2 THR A 344 -19.014 37.151 3311.. .332244 1, .00 19. .64 2664 C THR A 344 -18.317 39.643 29.967 1.00 21.68

2665 O THR A 344 -17.222 39.187 29.623 1.00 21.52

2666 N ARG A 345 -19.192 40.136 29.095 1.00 21.50

2667 CA ARG A 345 -18.875 40.169 27.671 1.00 23.67 2668 CB ARG A 345 -20.078 40.662 26.851 1.00 21.84

2669 CG ARG A 345 -21.169 39.611 26.645 1.00 24.59

2670 CD ARG A 345 -22.176 40.066 25.583 1.00 25.72

2671 NE ARG A 345 ^■23.047 41.148 2266..004400 1.00 27.10

2672 CZ ARG A 345 -24.162 40.965 26.745 1.00 28.58 2673 NHl ARG A 345 -24.548 39.740 27.076 1.00 27.75

2674 NH2 ARG A 345 -24.899 42.004 27.109 1.00 29.69

2675 C ARG A 345 -17.677 41.089 27.440 1.00 23.21

2676 O ARG A 345 -16.834 40.819 26.587 1.00 23.26

2677 N TYR A 346 -17.612 42.168 28.215 1.00 22.14 2678 CA TYR A 346 -16.529 43.142 28.117 1.00 20.89

2679 CB TYR A 346 -16.928 44.437 28.817 1.00 19.49

2680 CG TYR A 346 -18.107 45.155 28.205 1. .00 21. .63

2681 CDl TYR A 346 -18.876 46.032 28.967 1. .00 21. .57

2682 CEl TYR A 346 -19.945 46.724 28.408 1, .00 23, .46 2683 CD2 TYR A 346 -18.435 44.987 26.857 1. .00 22, .09

2684 CE2 TYR A 346 -19.501 45.682 26.284 1. .00 22, .25

2685 CZ TYR A 346 -20.249 46.547 27.066 1. .00 24, .70

2686 OH TYR A 346 -21.293 47.253 26.509 1. .00 27, .26 2687 C TYR A 346 -15.257 42.619 28.766 1. .00 23, .01 22668888 O TYR A 346 -14.231 43.301 28.769 1. .00 22, .94 2689 N SER A 347 -15.330 41.413 29.314 1, .00 23, .95

2690 CA SER A 347 -14.195 40.801 29.991 1, .00 26, .87

2691 CB SER A 347 -12.911 40.976 29.184 1. .00 27, .33

2692 OG SER A 347 -11.801 40.506 29.928 1. .00 29, .53 2693 C SER A 347 -14.008 41.427 31.367 1. .00 29, .75

2694 O SER A 347 ^•12.976 42.057 31.651 1.00 31.86

2695 N ALA A 348 -15.031 41.278 32.199 1.00 26.72

2696 CA ALA A 348 -15.022 41.777 33.569 1.00 25.77

2697 CB ALA A 348 -15.344 43.258 33.604 1.00 26.53 2698 C ALA A 348 -16.073 40.992 34.344 1.00 25.18

2699 O ALA A 348 -16.989 41.571 34.924 1.00 24.39

2700 N PRO A 349 ^■15.963 39.652 34.339 1.00 27.13 2701 CD PRO A 349 ^■14.877 38.848 33.746 1.00 27.05

2702 CA PRO A 349 ^■16.912 38.790 35.052 1.00 26.46

2703 CB PRO A 349 -16.449 37.386 34.668 1.00 27.59

2704 CG PRO A 349 -14.970 37.561 34.528 1.00 28.66

2705 C PRO A 349 -16.844 39.052 36.557 1.00 27.82

2706 0 PRO A 349 -15.811 39.469 37.082 1.00 26.88

2707 N PRO A 350 -17.946 38.806 37.275 1.00 28.48

2708 CD PRO A 350 -19.268 38.358 36.792 1.00 29.19

2709 CA PRO A 350 -17.974 39.038 38.721 1.00 28.52

2710 CB PRO A 350 -19.462 39.198 38.997 1.00 29.29

2711 CG PRO A 350 20.041 38.147 38.085 1.00 28.01

2712 C PRO A 350 17.367 37.944 39.589 1.00 27.06

2713 0 PRO A 350 -17.168 36.812 39.148 1.00 27.13

2714 N GLY A 351 -17.057 38.310 40.827 1.00 28.89

2715 CA GLY A 351 -16.545 37.346 41.781 1.00 32.39

2716 C GLY A 351 -17.826 36.898 42.456 1.00 35.64

2717 0 GLY A 351 -18.364 35.830 42.161 1.00 37.22

2718 N ASP A 352 ^■18.327 37.735 43.356 1.00 37.02

2719 CA ASP A 352 ^•19.586 37.462 44.030 1.00 39.05

2720 CB ASP A 352 ^■19.568 38.019 45.453 1.00 44.64

2721 CG ASP A 352 -18.564 37.311 46.341 1.00 49.77

2722 ODl ASP A 352 -17.665 37.987 46.887 1.00 53.19

2723 0D2 ASP A 352 -18.676 36.075 46.492 1.00 51.80

2724 C ASP A 352 -20.626 38.202 43.196 1.00 36.53

2725 0 ASP A 352 20.471 39.388 42.917 1.00 33.71

2726 N PRO A 353 21.686 37.509 42.764 1.00 35.55

2727 CD PRO A 353 -22.018 36.089 42.968 1.00 35.93

2728 CA PRO A 353 -22.713 38.181 41.957 1.00 33.83

2729 CB PRO A 353 -23.768 37.094 41.772 1.00 35.97

2730 CG PRO A 353 ^•22.953 35.821 41.818 1.00 37.12

2731 C PRO A 353 -23.262 39.397 42.698 1.00 30.37

2732 O PRO A 353 ^•23.464 39.349 43.912 1.00 31.67 2733 N PRO A 354 -23.500 40.507 41.984 1.00 26.88

2734 CD PRO A 354 -23.347 40.756 40.541 1.00 25.74

2735 CA PRO A 354 -24.028 41.690 42.663 1.00 26.71

2736 CB PRO A 354 -23.846 42.785 41.625 1.00 25.35

2737 CG PRO A 354 -24.116 42.046 40.349 1.00 25.73 2738 C PRO A 354 25.496 41.490 43.042 1.00 27.63 2739 0 PRO A 354 26.229 40.751 42.380 1.00 27.01 2740 N GLN A 355 ^•25.916 42.151 44.112 1.00 26.00 2741 CA GLN A 355 ^•27.291 42.047 44.570 1.00 26.73 2742 CB GLN A 355 ^•27.359 41.203 45.846 1.00 29.26

2743 CG GLN A 355 ^■26.892 39.762 45.652 1.00 32.13

2744 CD GLN A 355 27.821 38.960 44.758 1.00 35.03

2745 OEl GLN A 355 ^■27.507 37.836 44.359 1.00 37.28

2746 NE2 GLN A 355 ^■28.975 39.533 44.442 1.00 35.37 22774477 C GLN A 355 27.850 43.432 44.838 1.00 26.11 2748 0 GLN A 355 27.142 44.316 45.318 1.00 24.83 2749 N PRO A 356 29.129 43.648 44.508 1.00 24.28 2750 CD PRO A 356 -30.072 42.734 43.845 1.00 26.56

2751 CA PRO A 356 -29.732 44.958 44.744 1.00 25.23

2752 CB PRO A 356 -31.062 44.867 43.999 1.00 26.91

2753 CG PRO A 356 -31.396 43.414 44.090 1.00 29.40

2754 C PRO A 356 -29.891 45.210 46.240 1.00 24.82 2755 O PRO A 356 -30.289 44.325 46.994 1.00 25.25 2756 N GLU A 357 -29.563 46.423 46.665 1.00 25.91 22775577 CA GLU A 357 -29.653 46.792 48.068 1.00 24.42 2758 CB GLU A 357 -28.248 47.115 48.592 1.00 27.12

2759 CG GLU A 357 -28.028 46.786 50.049 1.00 32.28

2760 CD GLU A 357 -28.270 45.318 50.360 1.00 33.39

2761 OEl GLU A 357 -27.478 44.455 49.913 1.00 34.85 2762 OE2 GLU A 357 -29.261 45.032 51.054 1.00 35.20

2763 C GLU A 357 -30.562 48.014 48.159 1.00 25.64 2764 O GLU A 357 -30.455 48.926 47.337 1.00 25.12 2765 N TYR A 358 -31.462 48.040 49.138 1.00 22.92 2766 CA TYR A 358 •32.370 49.173 4499..225533 1.00 24.95 2767 CB TYR A 358 -33.828 48.691 4499..220088 1.00 24.16 2768 CG TYR A 358 -34.148 47.953 4477..993311 1.00 23.41 2769 CDl TYR A 358 -34.022 46.570 47.860 1.00 25.45 2770 CEl TYR A 358 -34.230 45.887 46.665 1.00 26.30 2771 CD2 TYR A 358 -34.499 48.644 46.771 1.00 24.29 2772 CE2 TYR A 358 -34.710 47.975 45.569 1.00 24.53

2773 CZ TYR A 358 -34.570 46.595 45.524 1.00 25.03

2774 OH TYR A 358 -34.742 45.917 44.341 1.00 25.27 2775 C TYR A 358 32.137 50.078 50.462 1.00 26.36 2776 O TYR A 358 32.966 50.931 50.779 1.00 26.28 2777 N ASP A 359 31.007 49.885 51.137 1.00 26.89 2778 CA ASP A 359 -30.636 50.722 52.274 1.00 26.50 2779 CB ASP A 359 -30.800 49.966 53.596 1.00 29.83

2780 CG ASP A 359 -30.562 50.854 54.814 1.00 34.02

2781 ODl ASP A 359 -29.467 51.448 54.932 1.00 32.66

2782 OD2 ASP A 359 -31.473 50.957 55.662 1.00 34.97

2783 C ASP A 359 -29.167 51.053 52.037 1.00 26.17 22778844 O ASP A 359 -28.329 50.152 51.950 1.00 23.48 2785 N LEU A 360 -28.866 52.342 51.916 1.00 25.20 2786 CA LEU A 360 -27.502 52.798 51.663 1.00 26.75 2787 CB LEU A 360 -27.443 54.330 51.713 1.00 28.76 2788 CG LEU A 360 -26.052 54.948 51.524 1.00 26.12

2789 CDl LEU A 360 -25.519 54.601 50.147 1.00 25.41

2790 CD2 LEU A 360 -26.131 56.448 51.700 1.00 28.91

2791 C LEU A 360 -26.449 52.235 52.615 1.00 25.82 2792 O LEU A 360 -25.334 51.915 52.197 1.00 25.38 2793 N GLU A 361 -26.806 52.094 53.888 1.00 25.35 22779944 CA GLU A 361 -25.859 51.609 54.888 1.00 26.13 2795 CB GLU A 361 -26.429 51.835 56.292 1.00 28.34 2796 CG GLU A 361 -26.989 53.243 56.489 1.00 31.39

2797 CD GLU A 361 -27.362 53.540 57.931 1.00 35.53

2798 OEl GLU A 361 -28.235 54.412 58.142 1.00 37.51 2799 OE2 GLU A 361 -26.777 52.917 58.847 1.00 31.95

2800 C GLU A 361 -25.433 50.154 54.736 1.00 25.09 2801 O GLU A 361 -24.413 49.750 55.292 1.00 25.86 2802 N LEU A 362 -26.203 49.373 53.982 1.00 23.48

2803 CA LEU A 362 -25.894 47.961 53.783 1.00 23.92 2804 CB LEU A 362 -27.191 47.151 53.655 1.00 24.69

2805 CG LEU A 362 -28.147 47.228 54.857 1.00 27.41

2806 CDl LEU A 362 -29.431 46.461 54.559 1.00 26.56

2807 CD2 LEU A 362 -27.460 46.676 56.092 1.00 25.52

2808 C LEU A 362 -25.015 47.738 52.553 1.00 22.55 2809 O LEU A 362 -24.635 46.611 52.238 1.00 23.15

2810 N ILE A 363 -24.684 48.815 51.855 1.00 22.17

2811 CA ILE A 363 -23.836 48.686 50.679 1.00 19.67 2812 CB ILE A 363 -24.241 49.691 49.582 1.00 19.98

2813 CG2 ILE A 363 -23.234 49.639 48.417 1.00 19.79

2814 CGI ILE A 363 -25.662 49.375 49.106 1.00 21.31

2815 CDl ILE A 363 -26.231 50.378 48.125 1.00 20.47

2816 C ILE A 363 -22.380 48.928 51.057 1.00 20.55

2817 0 ILE A 363 -22.045 49.941 51.677 1.00 20.72 2818 N THR A 364 -21.519 47.985 50.693 1.00 19.51

2819 CA THR A 364 -20.098 48.123 50.971 1.00 21.00

2820 CB THR A 364 -19.512 46.848 51.612 1.00 21.83

2821 OGl THR A 364 -20.036 46.695 52.936 1.00 24.40

2822 CG2 THR A 364 -17.991 46.937 51.690 1.00 20.69 2823 C THR A 364 -19.359 48.395 49.667 1.00 21.15 2824 0 THR A 364 •19.465 47.625 48.717 1.00 22.40 2825 N SER A 365 •18.641 49.513 49.612 1.00 24.23 2826 CA SER A 365 -17.856 49.865 48.432 1.00 24.19 2827 CB SER A 365 -18.592 50.892 47.555 1.00 24.33

2828 OG SER A 365 -18.869 52.093 48.253 1.00 31.35

2829 C SER A 365 -16.537 50.425 48.957 1.00 25.84

2830 0 SER A 365 -16.517 51.200 49.914 1.00 23.68

2831 N CYS A 366 -15.433 50.019 4488..334433 1.00 26.83

2832 CA CYS A 366 ^■14.116 50.451 48.806 1.00 28.42

2833 CB CYS A 366 ^■13.962 51.973 48.682 1.00 26.92

2834 SG CYS A 366 •13.706 52.543 46.971 1.00 27.62

2835 C CYS A 366 ^■13.936 50.001 50.258 1.00 27.44

2836 0 CYS A 366 ^■13.367 50.715 51.086 1.00 29.02

2837 N SER A 367 ^■14.439 48.804 50.548 1.00 27.08

2838 CA SER A 367 ^■14.346 48.198 51.874 1.00 27.18

2839 CB SER A 367 12.876 48.004 52.257 1.00 26.57

2840 OG SER A 367 •12.199 47.214 51.300 1.00 29.02

2841 C SER A 367 ^■15.030 49.018 52.960 1.00 26.41

2842 O SER A 367 14.827 48.759 54.142 1.00 27.79

2843 N SER A 368 ^■15.850 49.986 52.564 1.00 26.11

2844 CA SER A 368 ^■16.518 50.859 53.523 1.00 23.85

2845 CB SER A 368 ^■15.918 52.265 53.447 1.00 26.12

2846 OG SER A 368 -14.518 52.248 53.627 1.00 32.56

2847 C SER A 368 -18.017 50.996 53.309 1.00 22.31

2848 O SER A 368 -18.540 50.657 52.245 1.00 22.86 2849 N ASN A 369 -18.698 51.514 54.330 1.00 21.75

2850 CA ASN A 369 -20.136 51.755 54.241 1.00 21.25

2851 CB ASN A 369 -20.955 50.557 54.762 1.00 19.04

2852 CG ASN A 369 -20.831 50.353 56.270 1.00 18.23

2853 ODl ASN A 369 •19.860 49.766 56.756 1.00 18.47

2854 ND2 ASN A 369 21.819 50.837 57.016 1.00 16.55

2855 C ASN A 369 20.486 53.002 55.038 1.00 20.57

2856 0 ASN A 369 ^■19.769 53.382 55.962 1.00 22.50

2857 N VAL A 370 ^■21.579 53.646 54.655 1.00 21.39

2858 CA VAL A 370 ^■22.051 54.838 55.339 1.00 20.89

2859 CB VAL A 370 -23.040 55.634 54.455 1.00 21.46

2860 CGI VAL A 370 -23.602 56.826 55.232 1.00 21.66

2861 CG2 VAL A 370 -22.350 56.092 53.186 1.00 22.62

2862 C VAL A 370 -22.799 54.401 56.595 1.00 22.19

2863 O VAL A 370 -23.484 53.376 56.596 1.00 22.77

2864 N SER A 371 -22.649 55.161 57.671 1.00 21.50

2865 CA SER A 371 -23.366 54.857 58.901 1.00 23.79

2866 CB SER A 371 -22.500 54.055 59.876 1.00 23.95

2867 OG SER A 371 -23.323 53.444 60.859 1.00 24.94

2868 C SER A 371 -23.784 56.188 59.511 1.00 24.57

2869 O SER A 371 -23.420 57.249 58.991 1.00 23.39

2870 N VAL A 372 -24.538 56.141 60.607 1.00 24.38

2871 CA VAL A 372 -25.021 57.372 61.222 1.00 25.31

2872 CB VAL A 372 -26.556 57.485 61.080 1.00 28.58

2873 CGI VAL A 372 -26.994 58.918 61.339 1.00 31.65

2874 CG2 VAL A 372 -26.988 57.023 59.703 1.00 31.10

2875 C VAL A 372 -24.691 57.537 62.699 1.00 24.62

2876 O VAL A 372 -24.606 56.563 63.444 1.00 24.43

2877 N ALA A 373 -24.510 58.789 63.106 1.00 23.39

2878 CA ALA A 373 -24.228 59.134 64.495 1.00 24.35

2879 CB ALA A 373 -22.723 59.148 64.757 1.00 25.25

2880 ALA A 373 -24.818 60.522 64.709 1.00 25.95

2881 ALA A 373 -25.513 61.043 63.833 1.00 26.42

2882 HIS A 374 -24.544 61.124 65.860 1.00 27.29

2883 CA HIS A 374 -25.080 62.448 66.150 1.00 28.91

2884 CB HIS A 374 ^■26.234 62.334 67.152 1.00 29.52

2885 CG HIS A 374 ^■27.354 61.463 66.673 1.00 32.51 2886 CD2 HIS A 374 -28,.566 61..775 66..153 1,.00 32,.95

2887 NDl HIS A 374 -27, .262 60, .088 66. .630 1, .00 31, .94

2888 CEl HIS A 374 -28, .367 59, .591 66. .102 1, .00 33, .31

2889 NE2 HIS A 374 -29. .174 60, .593 65. .803 1, .00 33, .31

2890 C HIS A 374 -24. .016 63 , .388 66. .681 1, .00 28, .41

2891 0 HIS A 374 -23, .118 62, .968 67. .416 1. .00 28, .61

2892 N ASP A 375 -24. .115 64 , .660 66. .304 1, .00 29, .70

2893 CA ASP A 375 -23, .149 65. .657 66. .753 1, .00 32, .58

2894 CB ASP A 375 -22, .968 66, .759 65. .699 1, .00 33, .24

2895 CG ASP A 375 -24, .241 67. .550 65. .442 1, .00 37, .58

2896 ODl ASP A 375 -25, .235 67, .371 66. .179 1, .00 37, .74

2897 OD2 ASP A 375 -24. .240 68, .366 64, .497 1, .00 38, .99

2898 C ASP A 375 -23, .554 66, .278 68, .082 1, .00 33, .52

2899 0 ASP A 375 -24, .599 65, .944 68, .647 1, .00 32, .57

2900 N ALA A 376 -22, .719 67, .183 68, .578 1, .00 36, .45

2901 CA ALA A 376 -22, .980 67, .844 69, .851 1, .00 38, .15

2902 CB ALA A 376 -22, .010 69, .003 70, .045 1, .00 39, .60

2903 C ALA A 376 -24, .421 68 .342 69, .973 1, .00 39 .40

2904 0 ALA A 376 -25, .051 68 .175 71, .016 1, .00 40, .34

2905 N SER A 377 -24, .949 68, .932 68, .905 1, .00 39, .81

2906 CA SER A 377 -26.309 69.464 68.936 1.00 40.59

2907 CB SER A 377 -26.467 70.571 67.890 1.00 41.24

2908 OG SER A 377 -26.481 70.037 66.576 1.00 43.46

2909 C SER A 377 -27.400 68.418 68.725 1.00 40.98

2910 O SER A 377 -28.573 68.765 68.581 1.00 43.56

2911 N GLY A 378 -27.018 67.145 68.703 1.00 40.59

2912 CA GLY A 378 -27.992 66.085 68.514 1.00 40.34

2913 C GLY A 378 -28.424 65.881 67.072 1.00 41.87

2914 0 GLY A 378 ^■ 29 . 354 65 . 118 66.798 1.00 41.76

2915 N LYS A 379 - 27 . 747 66 . 548 66.142 1.00 42.21

2916 CA LYS A 379 - 28 . 090 66.427 64.729 1.00 43.89

2917 CB LYS A 379 - 27 . 583 67.650 63.963 1.00 47.98

2918 CG LYS A 379 - 27 . 932 67.654 62.486 1.00 54.25

2919 CD LYS A 379 - 28 . 456 69 . 014 62.021 1.00 60.17

2920 CE LYS A 379 ^■ 27 . 465 70 . 150 62.265 1.00 64.25

2921 NZ LYS A 379 ^■ 27 . 336 70 . 526 63.706 1.00 68.01

2922 C LYS A 379 -27.554 65.150 64.083 1.00 42.90 2923 0 LYS A 379 -26.413 64.743 64.319 1.00 40.67

2924 N ARG A 380 -28.403 64.532 63.267 1.00 41.82

2925 CA ARG A 380 -28.087 63.301 62.546 1.00 42.45

2926 CB ARG A 380 -29.335 62.859 61.774 1.00 44.27 2927 CG ARG A 380 -29.284 61.483 61.147 1.00 45.81

2928 CD ARG A 380 -30.559 61.240 60.346 1.00 48.02

2929 NE ARG A 380 -30.555 59.953 59.658 1.00 51.44 2930 CZ ARG A 380 -30.631 58.777 60.272 1.00 53.24 2931 NHl ARG A 380 -30.721 58.721 61.595 1.00 52.23 2932 NH2 ARG A 380 -30.613 57.655 59.564 1.00 53.00

2933 C ARG A 380 26.920 63.556 61.587 1.00 40.90

2934 O ARG A 380 26.994 64.437 60.735 1.00 42.49

2935 N VAL A 381 -25.844 62.786 61.723 1.00 38.56

2936 CA VAL A 381 -24.668 62.965 60.874 1.00 36.69 2937 CB VAL A 381 -23.517 63.624 61.679 1.00 37.94

2938 CGI VAL A 381 -22.256 63.714 60.830 1.00 40.92

2939 CG2 VAL A 381 --2233..993377 6655..001111 62.139 1.00 40.54

2940 C VAL A 381 -24.158 61.651 60.266 1.00 35.30 2941 O VAL A 381 -24.020 6600..664466 60.967 1.00 34.50 2942 N TYR A 382 -23.865 61.673 58.965 1.00 30.66

2943 CA TYR A 382 -23.366 60.490 58.266 1.00 28.34

2944 CB TYR A 382 -23.930 6600..443333 56.842 1.00 28.92

2945 CG TYR A 382 -25.436 60.513 56.789 1.00 31.44 2946 CDl TYR A 382 -26.085 61.744 56.693 1.00 31.49 2947 CEl TYR A 382 -27.478 61.826 56.700 1.00 32.20

2948 CD2 TYR A 382 -26.217 59.360 56.888 1.00 31.11

2949 CE2 TYR A 382 -27.609 59.430 56.899 1.00 33.32

2950 CZ TYR A 382 -28.233 60.667 56.807 1.00 33.31

2951 OH TYR A 382 -29.609 60.745 56.838 1.00 35.95 2952 C TYR A 382 -21.840 60.476 58.207 1.00 26.40

2953 O TYR A 382 -21.199 61.522 58.135 1.00 25.81

2954 N TYR A 383 -21.255 59.286 58.247 1.00 24.93

2955 CA TYR A 383 -19.803 59.160 58.193 1.00 21.50

2956 CB TYR A 383 -19.185 59.316 59.588 1.00 21.19 2957 CG TYR A 383 -19.496 58.169 60.527 1.00 21.93

2958 CDl TYR A 383 -20.753 58.054 61.129 1.00 21.13

2959 CEl TYR A 383 -21.070 56.958 61.936 1.00 22.15 2960 CD2 TYR A 383 18.558 57.161 60.760 1.00 19.88

2961 CE2 TYR A 383 18.866 56.061 61.561 1.00 21.95

2962 CZ TYR A 383 20.124 55.966 62.142 1.00 20.10

2963 OH TYR A 383 20.445 54.868 62.902 1.00 22.58

2964 C TYR A 383 19.443 57.797 57.615 1.00 22.68

2965 O TYR A 383 20.283 56.895 57.557 1.00 22.84

2966 N LEU A 384 18.188 57.649 57.209 1.00 19.78

2967 CA LEU A 384 ^■17.710 56.417 56.604 1.00 20.88

2968 CB LEU A 384 ^■16.704 56.767 55.498 1.00 22.61 2969 CG LEU A 384 •16.487 55.748 54.384 1.00 23.93 2970 CDl LEU A 384 17.780 55.594 53.589 1.00 23.60

2971 CD2 LEU A 384 ^■15.355 56.211 53.478 1.00 23.84 2972 C LEU A 384 ^■17.058 55.477 57.618 1.00 20.87 2973 O LEU A 384 ^■16.174 55.881 58.373 1.00 18.50 2974 N THR A 385 ^■17.491 541220 57.628 1.00 17.51 2975 CA THR A 385 ^■16.924 53.239 58.544 1.00 18.61

2976 CB THR A 385 ^■17.858 52.995 59.760 1.00 20.88

2977 OGl THR A 385 ^■17.232 52.085 60.678 1.00 21.39

2978 CG2 THR A 385 ^■19.189 52.406 59.304 1.00 17.54

2979 C THR A 385 -16.702 51.922 57.804 1.00 18.26 2980 O THR A 385 -16.895 51.841 56.597 1.00 21.28 2981 N ARG A 386 -16.281 50.896 58.530 1.00 22.06 2982 CA ARG A 386 -16.050 49.580 57.936 1.00 20.90 2983 CB ARG A 386 -14.781 49.581 57.073 1.00 20.60

2984 CG ARG A 386 -13.497 49.876 57.854 1.00 20.42

2985 CD ARG A 386 -12.251 49.491 57.056 1.00 20.01

2986 NE ARG A 386 -12.098 48.042 56.979 1.00 19.16

2987 CZ ARG A 386 -11.382 47.402 56.059 1.00 22.34

2988 NHl ARG A 386 -10.741 48.079 55.115 1.00 22.69

2989 NH2 ARG A 386 -11.308 46.079 56.081 1.00 22.13

2990 C ARG A 386 -15.871 48.559 59.047 1.00 18.61 2991 O ARG A 386 -15.698 48.927 60.209 1.00 19.00 2992 N ASP A 387 -15.926 47.280 58.689 1.00 20.41 2993 CA ASP A 387 -15.704 46.218 59.664 1.00 20.75 2994 CB ASP A 387 -15.850 44.848 59.001 1.00 20.97

2995 CG ASP A 387 -15.640 43.708 59.975 1.00 26.92

2996 ODl ASP A 387 -16.623 43.010 60.300 1.00 28.85 2997 OD2 ASP A 387 ^■14.495 43.512 60,.425 1..00 28,.66 2998 C ASP A 387 ^•14.252 46.453 60. .078 1. .00 16, .67 2999 O ASP A 387 ^•13.368 46.512 59, .232 1. .00 20, .49 3000 N PRO A 388 ^•13.984 46.587 6611., .338811 1. .00 20, .57

3001 CD PRO A 388 14.923 46.543 6622., .551188 1. .00 17, .52

3002 CA PRO A 388 ^•12.615 46.833 6611.. .885511 1. .00 19, .15

3003 CB PRO A 388 ^■12.849 47.491 6633,. .119999 1. .00 17, .54 3004 CG PRO A 388 ^■13.989 46.673 6633.. .772299 1. .00 18, .59 3005 C PRO A 388 ^•11.693 45.628 61, .976 1. .00 20, .05 3006 O PRO A 388 ^■10.567 45.764 62, .457 1. .00 22, .58 3007 N THR A 389 ^■12.148 44.457 6611,. .554455 1. .00 18, .86 3008 CA THR A 389 ^•11.325 43.264 6611,. .667777 1. .00 19, .87

3009 CB THR A 389 12.014 42.018 6611. .005599 1. .00 21, .55

3010 OGl THR A 389 -13.226 41.731 6611. .777744 1, .00 20, .89

3011 CG2 THR A 389 -11.093 40.801 6611. .115588 1. .00 23, .40

3012 C THR A 389 -9.914 43.392 6611. .009955 1, .00 18, .91 3013 O THR A 389 -8.935 43.185 6611. .880066 1, .00 20, .41 3014 N VAL A 390 -9.798 43.740 5599. .881199 1, .00 17, .94

3015 CA VAL A 390 -8.470 43.845 5599. .221188 1. .00 20 .99

3016 CB VAL A 390 -8.556 43.989 5577. .668800 1. .00 19, .79 3017 CGI VAL A 390 -7.173 44.137 5577. .009955 1, .00 21, .09 3018 CG2 VAL A 390 -9.214 42.750 5577. .008888 1, .00 20 .92

3019 C VAL A 390 -7.668 44.992 5599. .882288 1. .00 21 .36

3020 O VAL A 390 -6.495 44.824 6600. .115577 1. .00 20, .71

3021 N PRO A 391 -8.286 46.176 5599. .998811 1, .00 20, .80

3022 CD PRO A 391 -9.579 46.624 5599. .442266 1. .00 20, .26

3023 CA PRO A 391 -7.553 47.298 6600. .557766 1, .00 20. .38

3024 CB PRO A 391 -8.623 48.383 6600 . .668800 1. .00 20. .26

3025 CG PRO A 391 -9.449 48.137 5599 . .445522 1, .00 19. .74

3026 C PRO A 391 -6.966 46.921 6611., .994499 1. .00 22. .06

3027 O PRO A 391 -5.835 47.298 6622. .228800 1. .00 22. .13

3028 N LEU A 392 -7.726 46.172 6622 . .774488 1. .00 21. .64

3029 CA LEU A 392 -7.246 45.774 6644 , . .007722 1 , .00 20, .78

3030 CB LEU A 392 -8.418 45.341 6644 , . .996633 1 , .00 19. .28

3031 CG LEU A 392 -9.393 46.472 6655., .332211 1. .00 20. .76

3032 CDl LEU A 392 ^•10.590 45.896 6666., .006699 1. .00 18, .97

3033 CD2 LEU A 392 -8.686 47.523 66, .164 1. .00 18, .79 3034 C LEU A 392 6 . 197 44 . 664 64 . 011 1 . 00 21 . 31

3035 0 LEU A 392 5 . 257 44 . 650 64 . 811 1 . 00 21 . 60

3036 N ALA A 393 -6.353 43.736 63.070 1.00 20.36

3037 CA ALA A 393 -5.380 42.654 62.917 1.00 20.94

3038 CB ALA A 393 -5.844 41.666 61.847 1.00 19.49

3039 C ALA A 393 -4.033 43.267 62.515 1.00 21.37

3040 0 ALA A 393 -2.973 42.840 62.989 1.00 22.99

3041 N ARG A 394 -4.081 44.267 61.640 1.00 21.03

3042 CA ARG A 394 -2.865 44.937 61.183 1.00 21.06

3043 CB ARG A 394 -3.154 45.745 59.910 1.00 20.55

3044 CG ARG A 394 -3.430 44.829 58.731 1.00 21.25

3045 CD ARG A 394 -3.737 45.520 57.419 1.00 22.96

3046 NE ARG A 394 -3.918 44.503 56.387 1.00 24.34

3047 CZ ARG A 394 -4.314 44.736 55.142 1.00 24.00

3048 NHl ARG A 394 4 .584 45 .970 54 , .735 1, .00 24. .70 3049 NH2 ARG A 394 4 .439 43 .722 54, .301 1. .00 23. .16 3050 C ARG A 394 2 .257 45 .822 62, .266 1, .00 22, .58 3051 O ARG A 394 1 .036 45 .980 62, .330 1, .00 22, .26 3052 N ALA A 395 3 .102 46, .393 63, .121 1. .00 20, .33 3053 CA ALA A 395 2 .605 47 .231 64 , .207 1, .00 24, .03 3054 CB ALA A 395 3 .765 47 .924 64. .927 1, .00 21, .81 3055 C ALA A 395 1 .837 46 .337 65, .180 1, .00 24 , .32 3056 0 ALA A 395 0 .806 46 .732 65, .716 1. .00 23, .96 3057 N ALA A 396 2 .341 45, .126 65, .397 1. .00 22, .62

3058 CA ALA A 396 1 .683 44, .183 66, .295 1. .00 25, .32

3059 CB ALA A 396 2 .542 42, .925 66, .467 1. .00 21, .95

3060 C ALA A 396 0, .314 43, .804 65. .731 1, .00 26, .71 3061 0 ALA A 396 0, .686 43, .792 66. .446 1. .00 26, .35 3062 N TRP A 397 0, .282 43, .495 64. .439 1. .00 27. .46 3063 CA TRP A 397 0, .955 43, .110 63. .767 1. .00 29. .05 3064 CB TRP A 397 0, .650 42, .751 62. .311 1. .00 29. .06

3065 CG TRP A 397 1, .836 42, .270 61. .538 1, .00 28. .85

3066 CD2 TRP A 397 2, .174 40, .907 61. .260 1. .00 29. .41

3067 CE2 TRP A 397 3, .382 40, .916 60. .525 1. .00 29. .90

3068 CE3 TRP A 397 1, .571 39, .677 61. .559 1. .00 28. .76

3069 CDl TRP A 397 2 , .823 43 , .034 60. .978 1. .00 28. .63

3070 NEl TRP A 397 3.755 42.225 60.365 1.00 30.35 3071 CZ2 TRP A 397 3,.999 39.741 60..084 1..00 29,.93

3072 CZ3 TRP A 397 2. .186 38. .505 61, .117 1. .00 29, .62

3073 CH2 TRP A 397 3. .389 38. .549 60, .387 1. .00 29, .99

3074 C TRP A 397 1, .990 44 .235 63, .820 1. .00 28. .52 3075 O TRP A 397 3, .164 44. .002 64 , .126 1. .00 30, .15 3076 N GLU A 398 1, .542 45. .450 63, .522 1. .00 28. .78

3077 CA GLU A 398 2. .405 46, .624 63, .518 1. .00 30. .62

3078 CB GLU A 398 1. .684 47 .791 62, .835 1. .00 29. .48

3079 CG GLU A 398 1. .381 47 .521 61, .370 1. .00 29. .78

3080 CD GLU A 398 0. .457 48 .549 60, .735 1. .00 29. .11 3081 OEl GLU A 398 0, .128 48 .376 59, .549 1. .00 29. .29

3082 OE2 GLU A 398 0. .057 49 .520 61 .412 1. .00 31. .31

3083 C GLU A 398 2, .853 47 .027 64 .919 1. .00 31. .96

3084 O GLU A 398 3. .814 47 .780 65, .073 1, .00 33. .22 3085 N THR A 399 2, .151 46 .543 65 .939 1. .00 33. .53

3086 CA THR A 399 2. .531 46 .848 67 .314 1, .00 34. .50

3087 CB THR A 399 1, .366 46 .633 68, .301 1, .00 33. .37

3088 OGl THR A 399 0. .336 47 .597 68, .057 1, .00 33. .14

3089 CG2 THR A 399 1, .856 46 .786 69 .735 1, .00 35, .64

3090 C THR A 399 3. .657 45 .898 67 .711 1. .00 35. .24 3091 O THR A 399 4. .549 46, .253 68, .480 1, .00 35. .82 3092 N ALA A 400 3, .614 44, .691 67, .158 1, .00 35. .53 3093 CA ALA A 400 4 , .600 43, .663 67, .468 1. .00 37. .74 3094 CB ALA A 400 3. .902 42, .310 67, .540 1. .00 35. .50 3095 C ALA A 400 5. .803 43, .574 66, .523 1. .00 39. .00 3096 O ALA A 400 6, .842 43, .031 66, .897 1. .00 40. .43 3097 N ARG A 401 5. .669 44, .094 65, .307 1. .00 41. .75

3098 CA ARG A 401 6. .759 44 , .043 64, .330 1. .00 44. .41

3099 CB ARG A 401 6. .482 42, .964 63 , .277 1. .00 43. .19

3100 CG ARG A 401 6. .430 41, .533 63, .799 1. .00 45. .66

3101 CD ARG A 401 6. .117 40, .575 62, .652 1. .00 48. .18 3102 NE ARG A 401 6. .053 39, .163 63 , .042 1. .00 50. .58 3103 CZ ARG A 401 7. .099 38. .433 63. .421 1. .00 51. .26

3104 NHl ARG A 401 8. .310 38. .974 63 , .473 1. .00 50. .98

3105 NH2 ARG A 401 6. .935 37. .151 63. .731 1. .00 51. .14

3106 C ARG A 401 6. .950 45. .380 63. .616 1. .00 46. .54 3107 O ARG A 401 5 . 979 46 . 043 63 . 257 1 . 00 46 . 88 3108 N HIS A 402 8..204 45,.768 63..398 1..00 49..68

3109 CA HIS A 402 8. .497 47, .026 62. .718 1. .00 52, .31

3110 CB HIS A 402 10. .008 47, .281 62. .696 1. .00 58. .02

3111 CG HIS A 402 10. .404 48, .513 61. .943 1. .00 63. .29

3112 CD2 HIS A 402 10. .272 49, .827 62. .248 1. .00 65. .84

3113 NDl HIS A 402 11. .006 48, .468 60. .704 1. .00 65, .95

3114 CEl HIS A 402 11, .230 49, .699 60. .279 1. .00 66, .94

3115 NE2 HIS A 402 10, .793 50, .542 61. .197 1. .00 66, .82

3116 C HIS A 402 7, .953 45, .992 61. .294 1. .00 51, .27

3117 0 HIS A 402 8, .145 46 .017 60. .567 1. .00 50, .84

3118 N THR A 403 7, .262 48, .056 60. .903 1. .00 50, .72

3119 CA THR A 403 6. .692 48 .132 59. .565 1. .00 51, .27

3120 CB THR A 403 5, .179 47 .816 59. .582 1, .00 50, .80

3121 OGl THR A 403 4 , .473 48 .880 60. .232 1. .00 52, .92

3122 CG2 THR A 403 4 , .915 46 .516 60. .333 1, .00 48, .49

3123 C THR A 403 6, .897 49 .520 58. .967 1, .00 51, .54

3124 0 THR A 403 6, .563 50 .531 59. .587 1, .00 51, .51

3125 N PRO A 404 7, .461 49 .584 57, .752 1. .00 51, .85

3126 CD PRO A 404 7. .950 48 .442 56, .957 1, .00 52, .35

3127 CA PRO A 404 7, .718 50 .849 57, .056 1. .00 52, .07

3128 CB PRO A 404 8, .225 50 .390 55, .693 1. .00 52, .85

3129 CG PRO A 404 8, .930 49 .105 56, .023 1. .00 51, .83

3130 C PRO A 404 6, .453 51 .697 56, .950 1. .00 51, .33

3131 0 PRO A 404 6, .471 52 .892 57, .242 1, .00 52, .31

3132 N VAL A 405 5, .362 51 .065 56. .526 1. .00 49, .84

3133 CA VAL A 405 4 , .078 51 .743 56. .392 1, .00 48, .10

3134 CB VAL A 405 3, .368 51 .346 55. .077 1. .00 48, .58

3135 CGI VAL A 405 2. .031 52 .063 54. .965 1. .00 49, .33

3136 CG2 VAL A 405 4 , .250 51 .698 53. .892 1. .00 48, .85

3137 C VAL A 405 3. .191 51, .378 57. .583 1. .00 46, .61

3138 0 VAL A 405 2, .996 50, .203 57. .892 1, .00 48, .20

3139 N ASN A 406 2 , .662 52 , .397 58. .248 1. .00 43 , .91

3140 CA ASN A 406 1. .818 52 .210 59. .425 1, .00 41 , .37

3141 CB ASN A 406 2. .215 53, .233 60. .491 1 , .00 41 , .62

3142 CG ASN A 406 3. .668 53, .093 60. .920 1. .00 45. .85

3143 ODl ASN A 406 4 , .018 52, .189 61. .684 1. .00 47 , .35

3144 ND2 ASN A 406 4. .525 53, .978 60. .416 1. .00 45, .56 3145 C ASN A 406 0,.335 52..362 59..096 1..00 38..52

3146 0 ASN A 406 -0, .213 53. .460 59. .193 1. .00 38. .63

3147 N SER A 407 -0, .317 51. .261 58. .729 1. .00 33, .14

3148 CA SER A 407 -1, .737 51. .316 58. .385 1. .00 29, .31

3149 CB SER A 407 -2, .273 49. .927 58. .036 1. .00 27, .28

3150 OG SER A 407 -2, .425 49. .138 59. .202 1. .00 24, .89

3151 C SER A 407 -2, .581 51. .893 59. .510 1. .00 26, .79

3152 0 SER A 407 -3 , .625 52. .489 59. .256 1. .00 25, .46

3153 N TRP A 408 -2, .136 51. .725 60. .754 1. .00 26 .24

3154 CA TRP A 408 -2, .911 52. .233 61. .875 1. .00 24, .87

3155 CB TRP A 408 -2, .316 51. .791 63. .223 1. .00 24 .57

3156 CG TRP A 408 -0, .959 52. .347 63. .553 1. .00 25 .68

3157 CD2 TRP A 408 -0, .678 53. .597 64. .192 1. .00 25 .70

3158 CE2 TRP A 408 0 .727 53. .698 64 , .320 1. .00 27 .24

3159 CE3 TRP A 408 -1 .477 54. .643 64. .670 1. .00 24 .88

3160 CDl TRP A 408 0 .256 51, .755 63. .321 1. .00 27 .20

3161 NEl TRP A 408 1 .274 52, .562 63, .783 1. .00 27 .86

3162 CZ2 TRP A 408 1 .347 54 , .806 64 , .906 1. .00 28 .20

3163 CZ3 TRP A 408 -0 .859 55, .744 65, .252 1. .00 28 .06

3164 CH2 TRP A 408 0 .542 55, .815 65, .364 1. .00 25 .91

3165 C TRP A 408 -3 .068 53, .747 61, .848 1. .00 23 .85

3166 0 TRP A 408 -4 .127 54 , .263 62, .193 1. .00 23 .42

3167 N LEU A 409 -2 .021 54, .460 61, .442 1. .00 23 .47

3168 CA LEU A 409 -2 .095 55, .917 61, .382 1. .00 21 .91

3169 CB LEU A 409 -0 .699 56, .520 61, .198 1. .00 22 .88

3170 CG LEU A 409 -0 .594 58, .047 61, .139 1. .00 25 .20

3171 CDl LEU A 409 -1 .216 58. .672 62, .379 1. .00 24 .38

3172 CD2 LEU A 409 0 .875 58. .441 61, .032 1. .00 26, .88

3173 C LEU A 409 -2 .999 56. .312 60. .219 1. .00 21, .67

3174 0 LEU A 409 -3 .809 57. .235 60. .334 1. .00 23, .37

3175 N GLY A 410 -2 .860 55, .604 59. .101 1. .00 21, .19

3176 CA GLY A 410 -3 .686 55, .887 57. .942 1. .00 22, .57

3177 C GLY A 410 -5 .147 55. .668 58. .298 1. .00 23, .05

3178 0 GLY A 410 -6 .019 56. .475 57. .943 1. .00 20, .76

3179 N ASN A 411 -5 .415 54. .576 59. .010 1. .00 20, .38

3180 CA ASN A 411 -6 .781 54. .273 59. .420 1. .00 21, .37

3181 CB ASN A 411 -6 .867 52. .872 60. .025 1. .00 19, .25 3182 CG ASN A 411 -6.965 51.800 58.958 1.00 20.36

3183 ODl ASN A 411 -7.683 51.970 57.974 1.00 20.27

3184 ND2 ASN A 411 -6.250 50.695 59.140 1.00 20.46

3185 C ASN A 411 -7.350 55.305 60.387 1.00 20.81

3186 O ASN A 411 -8.534 55.626 60.322 1.00 22.69 3187 N ILE A 412 -6.523 55.832 61.287 1.00 21.38

3188 CA ILE A 412 -7.028 56.844 62.210 1.00 23.05

3189 CB ILE A 412 -5.978 57.233 63.277 1.00 23.12

3190 CG2 ILE A 412 -6.380 58.545 63.955 1.00 22.29

3191 CGI ILE A 412 -5.859 56.113 64.316 1.00 23.01

3192 CDl ILE A 412 -4.801 56.347 65.362 1.00 22.90 3193 C ILE A 412 -7.436 58.092 61.431 1.00 21.71 3194 O ILE A 412 ^■8.456 58.708 61.725 1.00 23.90 3195 N ILE A 413 ^•6.634 58.456 60.435 1.00 21.79 3196 CA ILE A 413 ^■6.915 59.624 59.607 1.00 23.43 3197 CB ILE A 413 ^•5.726 59.917 58.656 1.00 21.88

3198 CG2 ILE A 413 -6.138 60.930 57.593 1.00 22.68

3199 CGI ILE A 413 -4.535 60.438 59.469 1.00 23.37

3200 CDl ILE A 413 -3.244 60.558 58.670 1.00 25.69 3201 C ILE A 413 -8.192 59.482 58.766 1.00 21.73

3202 O ILE A 413 -9.067 60.351 58.791 1.00 22.40

3203 N MET A 414 -8.296 58.385 58.029 1.00 20.19

3204 CA MET A 414 -9.453 58.154 57.163 1.00 20.68

3205 CB MET A 414 -9.112 57.076 56.133 1.00 21.95 3206 CG MET A 414 -7.951 57.453 55.227 1.00 27.16

3207 SD MET A 414 -8.335 58.900 54.203 1.00 30.83

3208 CE MET A 414 -9.075 58.067 52.790 1.00 25.74

3209 C MET A 414 ^•10.734 57.769 57.909 1.00 19.32

3210 O MET A 414 ^■11.841 58.111 57.478 1.00 20.61 3211 N TYR A 415 10.585 57.069 59.027 1.00 19.65

3212 CA TYR A 415 11.740 56.638 59.807 1.00 21.84

3213 CB TYR A 415 -11.704 55.118 59.976 1.00 20.41

3214 CG TYR A 415 -11.899 54.379 58.678 1.00 19.29

3215 CDl TYR A 415 -10.829 53.749 58.030 1.00 18.73 3216 CEl TYR A 415 11.022 53.076 56.817 1.00 18.41

3217 CD2 TYR A 415 -13.160 54.321 58.084 1.00 18.94

3218 CE2 TYR A 415 -13.360 53.661 56.886 1.00 18.68 3219 CZ TYR A 415 ■12.296 53.039 56.254 1.00 19.87

3220 OH TYR A 415 •12.527 52.379 55.063 1.00 21.53

3221 C TYR A 415 ^•11.843 57.309 61.170 1.00 20.89

3222 0 TYR A 415 ^■12.436 56.758 62.095 1.00 23.07

3223 N ALA A 416 •11.287 58.512 61.276 1.00 21.57

3224 CA ALA A 416 ^•11.291 59.274 62.526 1.00 23.07

3225 CB ALA A 416 -10.713 60.676 62.278 1.00 21.58

3226 C ALA A 416 -12.643 59.401 63.236 1.00 22.52

3227 0 ALA A 416 -12.703 59.393 64.464 1.00 24.39

3228 N PRO A 417 -13.740 59.550 62.479 1.00 23.70

3229 CD PRO A 417 -13.861 59.942 61.062 1.00 23.66

3230 CA PRO A 417 •15.027 59.677 63.172 1.00 24.48

3231 CB PRO A 417 •15.908 60.387 62.145 1.00 22.80

3232 CG PRO A 417 -15.362 59.915 60.842 1.00 26.82

3233 C PRO A 417 -15.646 58.376 63.662 1.00 23.74

3234 0 PRO A 417 -16.673 58.395 64.350 1.00 23.81

3235 N THR A 418 -15.029 57.248 63.323 1.00 22.91

3236 CA THR A 418 -15.586 55.972 63.742 1.00 21.26

3237 CB THR A 418 -15.046 54.771 62.932 1.00 19.70

3238 OGl THR A 418 -13.661 54.569 63.233 1.00 20.54

3239 CG2 THR A 418 -15.230 54.995 61.434 1.00 18.75

3240 C THR A 418 -15.342 55.672 65.202 1.00 22.78

3241 0 THR A 418 -14.367 56.125 65.816 1.00 21.08

3242 N LEU A 419 -16.261 54.881 65.738 1.00 23.89

3243 CA LEU A 419 -16.252 54.428 67.107 1.00 24.29

3244 CB LEU A 419 -17.525 53.595 67.309 1.00 28.85

3245 CG LEU A 419 -17.862 52.705 68.493 1.00 33.73

3246 CDl LEU A 419 -19.264 52.150 68.251 1.00 35.56

3247 CD2 LEU A 419 -16.858 51.567 68.627 1.00 32.61

3248 C LEU A 419 -14.989 53.606 67.388 1.00 22.80

3249 0 LEU A 419 -14.340 53.782 68.420 1.00 22.85

3250 N TRP A 420 -14.634 52.716 66.464 1.00 21.11

3251 CA TRP A 420 -13.462 51.870 66.653 1.00 20.73

3252 CB TRP A 420 -13.522 50.652 65.720 1.00 21.15

3253 CG TRP A 420 -13.764 50.978 64.284 1.00 20.82

3254 CD2 TRP A 420 -12.769 51.148 63.271 1.00 19.60

3255 CE2 TRP A 420 -13.443 51.462 62.072 1.00 19.94 3256 CE3 TRP A 420 -11,.369 51..068 63,.260 1 ,.00 21..21

3257 CDl TRP A 420 -14 , .971 51. .189 63. .678 1. .00 19. .73

3258 NEl TRP A 420 -14 , .786 51. .480 62, .347 1. .00 21. .27

3259 CZ2 TRP A 420 -12, .765 51, .696 60. .870 1 , .00 21. .06

3260 CZ3 TRP A 420 -10, .693 51, .301 62. .066 1, .00 20. .33

3261 CH2 TRP A 420 -11, .393 51, .611 60. .886 1, .00 21. .84

3262 C TRP A 420 -12, .111 52, .578 66. .501 1. .00 21. .18

3263 0 TRP A 420 -11, .155 52, .234 67. .190 1. .00 20, .99

3264 N ALA A 421 -12, .017 53, .559 65. .609 1, .00 20, .66

3265 CA ALA A 421 -10, .748 54 , .275 65. .446 1. .00 21 , .12

3266 CB ALA A 421 -10, .769 55, .131 64, .165 1. .00 19, .79

3267 C ALA A 421 -10, .471 55, .156 66, .662 1, .00 19. .74

3268 0 ALA A 421 -9, .342 55, .214 67, .154 1 , .00 21. .55

3269 N ARG A 422 -11, .508 55, .828 67, .155 1. .00 22. .11

3270 CA ARG A 422 -11 .378 56, .723 68 .307 1, .00 21. .33

3271 CB ARG A 422 -12 .657 57, .553 68 .473 1. .00 19. .88

3272 CG ARG A 422 -13 .013 58, .439 67 .278 1. .00 19. .48

3273 CD ARG A 422 -14 .385 59, .098 67 .463 1. .00 20. .43

3274 NE ARG A 422 -14 .369 60, .130 68 .502 1 , .00 20, .32

3275 CZ ARG A 422 -15 .456 60, .711 69 .002 1, .00 21, .22

3276 NHl ARG A 422 -16 .664 60, .363 68, .572 1. .00 22. .71

3277 NH2 ARG A 422 -15 .337 61, .659 69, .920 1. .00 22. .37

3278 C ARG A 422 -11 .092 55, .991 69, .623 1, .00 22. .64

3279 0 ARG A 422 -10 .121 56, .289 70, .329 1. .00 21. .64

3280 N MET A 423 -11 .931 55, .016 69, .944 1. .00 21, .91

3281 CA MET A 423 -11 .789 54 , .289 71, .198 1 , .00 20. .69

3282 CB MET A 423 -13 .102 53, .580 71, .530 1, .00 21. .41

3283 CG MET A 423 -14, .289 54, .526 71, .667 1. .00 21. .42

3284 SD MET A 423 -15, .807 53, .664 72, .118 1. .00 28. .14

3285 CE MET A 423 -15, .460 53. .177 73 , .814 1. .00 22. .93

3286 C MET A 423 -10, .647 53, .292 71, .265 1. .00 20. .09

3287 0 MET A 423 -10. .049 53 , .108 72, .328 1. .00 20. .27

3288 N ILE A 424 -10. .324 52. .661 70, .141 1. .00 19. .81

3289 CA ILE A 424 -9, .263 51. .661 70, .155 1. .00 18. .70

3290 CB ILE A 424 -9. .726 50. .353 69, .478 1. .00 19. .20

3291 CG2 ILE A 424 -8, .651 49. .284 69, .642 1. .00 18. .70

3292 CGI ILE A 424 -11, .027 49, .858 70. .120 1. .00 19. .90 3293 CDl ILE A 424 -11.685 48.716 69.364 1.00 21.51

3294 C ILE A 424 -7.937 52.081 69.529 1.00 19.09

3295 O ILE A 424 -6.899 52.040 70.197 1.00 20.45

3296 N LEU A 425 -7.957 52.469 68.256 1.00 20.62

3297 CA LEU A 425 -6.720 52.861 67.582 1.00 20.71

3298 CB LEU A 425 -6.982 53.176 66.105 1 . 00 20 . 44

3299 CG LEU A 425 -7.407 51.959 65.264 1 . 00 21 . 98

3300 CDl LEU A 425 -7.483 52.337 63.790 1 . 00 22 . 14

3301 CD2 LEU A 425 -6.401 50.831 65.461 1 . 00 21 . 46

3302 C LEU A 425 -6.029 54.040 68.261 1 . 00 21 . 15

3303 O LEU A 425 -4.850 53.955 68.602 1 . 00 20 . 82

3304 N MET A 426 -6.754 55.135 68.455 1 . 00 22 . 01

3305 CA MET A 426 -6.175 56.305 69.106 1.00 21.79

3306 CB MET A 426 -7.218 57.420 69.204 1.00 20.40

3307 CG MET A 426 -7. .558 58, .060 67 .866 1. .00 20, .50

3308 SD MET A 426 -8, .725 59, .417 68 .031 1 , .00 29. .69

3309 CE MET A 426 -9, .234 59, .652 66 .315 1. .00 19. .53 3310 C MET A 426 -5 .643 55, .965 70 .501 1, .00 23 , .51 3311 0 MET A 426 -4, .479 56, .233 70 .822 1. .00 23. .41 3312 N THR A 427 -6, .495 55, .359 71 .321 1. .00 21. .03 3313 CA THR A 427 -6 .125 54 , .996 72 .681 1, .00 23, .03 3314 CB THR A 427 -7, .273 54 , .226 73 .359 1. .00 21, .30

3315 OGl THR A 427 -8 .459 55, .021 73, .298 1. .00 21, .75

3316 CG2 THR A 427 -6 .942 53, .909 74 , .813 1. .00 21. .49

3317 C THR A 427 -4 .863 54 , .141 72, .739 1. .00 22. .60 3318 0 THR A 427 -3, .903 54 , .474 73 , .433 1. .00 22. .36 3319 N HIS A 428 -4.881 53.041 71.997 1.00 22.86 3320 CA HIS A 428 -3.770 52.102 71.962 1.00 23.38 3321 CB HIS A 428 -4.136 50.918 71.065 1.00 23.58 3322 CG HIS A 428 -3.025 49.935 70.867 1.00 23.63 3323 CD2 HIS A 428 -2.284 49.637 69.771 1.00 24.00 3324 NDl HIS A 428 -2.578 49.101 71.867 1.00 24.81 3325 CEl HIS A 428 -1.614 48.329 71.399 1.00 22.42

3326 NE2 HIS A 428 -1.417 48.636 70.128 1.00 24.55

3327 C HIS A 428 -2.451 52.696 71.480 1.00 23.11

3328 O HIS A 428 -1.416 52.551 72.137 1.00 23.68 3329 N PHE A 429 -2.478 53.365 70.336 1.00 22.07 3330 CA PHE A 429 1.238 53.896 69.807 1.00 24.81 3331 CB PHE A 429 ^■1.371 54.123 68.302 1.00 22.78 3332 CG PHE A 429 ^•1.312 52.840 67.523 1.00 23.56 3333 CDl PHE A 429 -2.477 52.220 67.070 1.00 21.48

3334 CD2 PHE A 429 -0.091 52.190 67.343 1.00 22.10

3335 CEl PHE A 429 -2.427 50.971 66.454 1.00 19.92

3336 CE2 PHE A 429 -0.029 50.938 66.727 1.00 22.72

3337 CZ PHE A 429 -1.203 50.327 66.283 1.00 23.67

3338 C PHE A 429 •0.652 55.092 70.529 1.00 24.67 3339 O PHE A 429 0.571 55.206 70.635 1.00 26.68 3340 N PHE A 430 •1.498 55.969 71.048 1.00 24.43 3341 CA PHE A 430 ^•0.969 57.095 71.797 1.00 26.87 3342 CB PHE A 430 ^■2.048 58.155 72.037 1.00 24.79

3343 CG PHE A 430 •2.122 59.180 70.941 1.00 27.29 3344 CDl PHE A 430 ^■2.959 58.996 69.846 1.00 25.45

3345 CD2 PHE A 430 •1.293 60.304 70.973 1.00 27.09 3346 CEl PHE A 430 -2.968 59.916 68.791 1.00 29.70 3347 CE2 PHE A 430 -1.292 61.228 69.925 1.00 28.60

3348 CZ PHE A 430 ^■2.130 61.035 68.831 1.00 29.06

3349 C PHE A 430 ^■0.411 56.561 73.116 1.00 26.52 3350 0 PHE A 430 0.559 57.099 73.660 1.00 26.18 3351 N SER A 431 ^■1.013 55.485 73.616 1.00 26.66 3352 CA SER A 431 ^■0.544 54.872 74.849 1.00 26.82 3353 CB SER A 431 ^■1.436 53.692 75.237 1.00 27.46 3354 OG SER A 431 ^■0.952 53.066 76.412 1.00 30.09 3355 C SER A 431 0.877 54.382 74.586 1.00 27.63 3356 O SER A 431 1.795 54.651 75.358 1.00 26.58 3357 N ILE A 432 1.047 53.671 73.476 1.00 29.74

3358 CA ILE A 432 2.352 53.147 73.087 1.00 30.65

3359 CB ILE A 432 2.244 52.277 71.816 1.00 32.07

3360 CG2 ILE A 432 3.635 51.990 71.253 1.00 31.19

3361 CGI ILE A 432 1.507 50.975 72.140 1.00 31.22

3362 CDl ILE A 432 1.334 50.064 70.941 1.00 32.62

3363 C ILE A 432 3.364 54.265 72.831 1.00 29.60 3364 0 ILE A 432 4.502 54.192 73.293 1.00 30.29 3365 N LEU A 433 2.957 55.292 72.094 1.00 29.66 3366 CA LEU A 433 3.862 56.398 71.801 1.00 32.36 3367 CB LEU A 433 3..194 57..410 70..865 1..00 29..85

3368 CG LEU A 433 2. .947 56. .909 69, .437 1. .00 31. .92

3369 CDl LEU A 433 2. .340 58. .027 68. .605 1. .00 30. .92

3370 CD2 LEU A 433 4 , .259 56. .437 68. .809 1. .00 32. .37

3371 C LEU A 433 4. .320 57. .081 73. .089 1. .00 33. .45

3372 O LEU A 433 5. .481 57, .463 73. .213 1. .00 35. .80 3373 N LEU A 434 3. .408 57. .231 74. .043 1. .00 33. .74 3374 CA LEU A 434 3, .745 57. .836 75. .323 1. .00 35. .65 3375 CB LEU A 434 2, .513 57. .897 76. .221 1. .00 33. .85 3376 CG LEU A 434 1, .525 59, .021 75, .923 1. .00 36. .55

3377 CDl LEU A 434 0, .179 58, .734 76, .580 1. .00 36. .03

3378 CD2 LEU A 434 2, .112 60, .333 76, .421 1. .00 34. .33

3379 C LEU A 434 4 , .822 57, .001 76, .001 1. .00 35. .90

3380 O LEU A 434 5. .854 57, .523 76, .417 1. .00 36. .26

3381 N ALA A 435 4. .571 55, .698 76 .095 1, .00 36. .68

3382 CA ALA A 435 5. .499 54, .764 76 .727 1. .00 37. .38

3383 CB ALA A 435 4, .904 53, .359 76 .725 1. .00 33. .66

3384 C ALA A 435 6 .882 54, .741 76 .079 1, .00 39. .21

3385 O ALA A 435 7, .893 54 .608 76 .771 1, .00 39, .19

3386 N GLN A 436 6 .930 54, .860 74 .756 1 .00 39, .80

3387 CA GLN A 436 8 .205 54 .841 74 .046 1 .00 41. .59

3388 CB GLN A 436 8 .021 54, .291 72 .631 1 .00 42, .02

3389 CG GLN A 436 7. .302 52 .965 72 .537 1, .00 45, .10

3390 CD GLN A 436 7 .029 52 .576 71 .092 1, .00 47. .89

3391 OEl GLN A 436 6 .513 53 .376 70 .309 1, .00 48, .49

3392 NE2 GLN A 436 7 .371 51, .344 70 .734 1 .00 49, .74

3393 C GLN A 436 8 .805 56, .238 73 .941 1 .00 41, .35 3394 O GLN A 436 9 .962 56, .395 73, .554 1, .00 40. .96 3395 N GLU A 437 8 .015 57, .253 74 .276 1, .00 42. .34 3396 CA GLU A 437 8 .486 58, .627 74, .173 1, .00 44. .88 3397 CB GLU A 437 9 .719 58 .839 75 .059 1, .00 45. .73

3398 CG GLU A 437 9 .412 58 .829 76 .549 1, .00 49. .78

3399 CD GLU A 437 0 .664 58, .841 77 .407 1, .00 52. .26

3400 OEl GLU A 437 11.534 59.709 77.188 1.00 54.82

3401 OE2 GLU A 437 10.774 57.982 78.306 1.00 54.43

3402 C GLU A 437 8.833 58.888 72.710 1.00 44.48

3403 O GLU A 437 9.903 59.410 72.391 1.00 45.83 3404 N GLN A 438 7..914 58..513 71..826 1..00 43..39

3405 CA GLN A 438 8. .091 58. .686 70. .386 1. .00 43 , .40

3406 CB GLN A 438 8. .124 57. .322 69, .695 1. .00 45, .76

3407 CG GLN A 438 9. .253 56. .410 70. .134 1. .00 51, .37

3408 CD GLN A 438 10. .533 56. .653 69. .360 1. .00 56, .10

3409 OEl GLN A 438 11. .107 57. .742 69. .407 1. .00 58, .99

3410 NE2 GLN A 438 10. .985 55, .634 68. .635 1. .00 57, .68

3411 C GLN A 438 6. .943 59, .506 69. .804 1. .00 41. .23

3412 0 GLN A 438 6. .645 59, .405 68. .616 1. .00 39, .47

3413 N LEU A 439 6. .302 60, .311 70. .645 1. .00 39, .15

3414 CA LEU A 439 5. .178 61, .135 70. .214 1. .00 39, .19

3415 CB LEU A 439 4. .608 61 .913 71, .405 1. .00 36, .72

3416 CG LEU A 439 3. .682 61, .156 72, .363 1. .00 36, .46

3417 CDl LEU A 439 3 , .446 61, .984 73, .621 1. .00 35, .85

3418 CD2 LEU A 439 2. .361 60, .850 71, .659 1. .00 33, .70

3419 C LEU A 439 5. .519 62 .121 69, .103 1. .00 41, .17

3420 0 LEU A 439 4 , .661 62, .473 68, .293 1, .00 40, .44

3421 N GLU A 440 6, .768 62 .562 69, .055 1, .00 42, .77

3422 CA GLU A 440 7. .169 63 .538 68, .051 1 , .00 46, .76

3423 CB GLU A 440 8. .082 64 .583 68, .705 1. .00 52, .49

3424 CG GLU A 440 7. .365 65 .368 69, .803 1. .00 60, .62

3425 CD GLU A 440 8, .249 66 .377 70, .508 1. .00 65, .49

3426 OEl GLU A 440 7, .727 67 .116 71 .372 1, .00 69, .31

3427 OE2 GLU A 440 9. .460 66 .432 70, .206 1. .00 68, .35

3428 C GLU A 440 7. .813 62 .979 66 .784 1. .00 45, .16

3429 0 GLU A 440 8, .189 63 .741 65, .893 1, .00 45, .14

3430 N LYS A 441 7. .922 61 .657 66, .692 1, .00 42, .93

3431 CA LYS A 441 8, .521 61 .026 65, .519 1. .00 41, .26

3432 CB LYS A 441 9. .127 59 .673 65, .891 1. .00 43, .16

3433 CG LYS A 441 9. .584 58 .883 64, .679 1. .00 48, .20

3434 CD LYS A 441 10. .384 57 .654 65, .059 1. .00 53, .00

3435 CE LYS A 441 10. .896 56 .942 63, .813 1. .00 54 , .38

3436 NZ LYS A 441 11, .820 55 .824 64 , .146 1. .00 57, .75

3437 C LYS A 441 7, .532 60 .821 64, .371 1. .00 39, .35

3438 0 LYS A 441 6, .533 60 .115 64 , .522 1. .00 38, .01

3439 N ALA A 442 7, .822 61 .434 63, .225 1. .00 36, .73

3440 CA ALA A 442 6, .967 61 .314 62, .045 1. .00 34 , .60 3441 CB ALA A 442 7..483 62..215 60..932 1..00 33..21

3442 C ALA A 442 6. .947 59. .863 61. .574 1. .00 33. .23

3443 0 ALA A 442 7, .938 59. .142 61. .706 1. .00 32. .02

3444 N LEU A 443 5, .816 59. .435 61. .026 1. .00 31. .79

3445 CA LEU A 443 5, .680 58. .061 60. .549 1. .00 31. .63

3446 CB LEU A 443 4, .773 57, .256 61. .485 1. .00 31, .83

3447 CG LEU A 443 5, .262 57, .011 62. .912 1. .00 32. .61

3448 CDl LEU A 443 4 , .123 56, .454 63. .748 1. .00 30. .49

3449 CD2 LEU A 443 6. .441 56. .045 62. .890 1. .00 32. .12

3450 C LEU A 443 5. .095 58. .018 59. .148 1. .00 30. .69

3451 0 LEU A 443 4. .288 58. .869 58. .771 1. .00 28. .92

3452 N ASP A 444 5. .501 57. .015 58. .383 1. .00 30. .14

3453 CA ASP A 444 5. .003 56, .867 57. .029 1. .00 31. .86

3454 CB ASP A 444 6. .051 56. .184 56, .146 1. .00 32. .75

3455 CG ASP A 444 7. .189 57, .118 55, .757 1. .00 36. .25

3456 ODl ASP A 444 7. .148 58, .307 56, .138 1. .00 33 , .41

3457 OD2 ASP A 444 8, .119 56. .662 55, .060 1. .00 39. .65

3458 C ASP A 444 3, .713 56, .068 57. .001 1. .00 31. .38

3459 0 ASP A 444 3. .563 55, .076 57, .712 1. .00 33. .34

3460 N CYS A 445 2. .774 56, .523 56. .185 1. .00 32. .47

3461 CA CYS A 445 1. .502 55, .842 56, .022 1, .00 32. .18

3462 CB CYS A 445 0, .496 56, .306 57, .080 1, .00 33, .69

3463 SG CYS A 445 0, .036 58 .041 56, .991 1. .00 37, .49

3464 C CYS A 445 1, .002 56, .156 54, .618 1, .00 32, .41

3465 0 CYS A 445 1 .506 57 .070 53, .957 1. .00 31, .94

3466 N GLN A 446 0. .021 55 .399 54, .153 1. .00 31, .26

3467 CA GLN A 446 -0, .499 55 .612 52, .820 1. .00 32, .00

3468 CB GLN A 446 -0, .359 54 .331 52, .001 1. .00 34. .37

3469 CG GLN A 446 1 .079 53 .987 51, .667 1, .00 40, .34

3470 CD GLN A 446 1 .200 52 .800 50, .731 1, .00 43, .46

3471 OEl GLN A 446 2 .267 52 .550 50, .171 1, .00 47, .05

3472 NE2 GLN A 446 0 .109 52 .059 50, .560 1, .00 41, .90

3473 C GLN A 446 -1 .938 56 .085 52, .781 1. .00 30, .05

3474 0 GLN A 446 -2 .757 55 .685 53, .607 1. .00 30, .73

3475 N ILE A 447 -2 .221 56 .957 51 .819 1. .00 28, .18

3476 CA ILE A 447 -3 , .555 57, .497 51. .589 1. .00 28. .39

3477 CB ILE A 447 -3. .655 58, .979 52. .002 1. .00 29. .48 3478 CG2 ILE A 447 5..047 59..511 51..683 1..00 29..96

3479 CGI ILE A 447 3. .364 59. .124 53. .498 1. .00 29, .81

3480 CDl ILE A 447 3. .454 60. .544 54. .006 1. .00 34 , .40 3481 C ILE A 447 3. .781 57. .371 50, .080 1. .00 27, .45 3482 O ILE A 447 3. .055 57. .970 49. .277 1. .00 28, .12 3483 N TYR A 448 4. .779 56. .580 49. .698 1. .00 25, .60 3484 CA TYR A 448 5. .073 56. .342 48. .289 1. .00 24, .78 3485 CB TYR A 448 5. .642 57. .601 47. .620 1. .00 23, .93

3486 CG TYR A 448 7, .068 57, .925 48 .011 1, .00 24 .26

3487 CDl TYR A 448 7. .659 59, .130 47 .628 1, .00 23 .86

3488 CEl TYR A 448 8. .960 59, .448 48 .010 1, .00 25 .68 3489 CD2 TYR A 448 7. .822 57 .037 4488. .778855 1 .00 25 .09

3490 CE2 TYR A 448 9 .124 57, .344 4499 ..117733 1 .00 25 .36

3491 CZ TYR A 448 9 .687 58 .551 4488 ..778877 1 .00 27 .39

3492 OH TYR A 448 ^■10.963 58.870 49.207 1.00 28.54 3493 C TYR A 448 -3.828 55.870 47.539 1.00 24.25 3494 0 TYR A 448 -3.555 56.317 46.425 1.00 24.66 3495 N GLY A 449 -3.074 54.972 48.167 1.00 24.64 3496 CA GLY A 449 -1.883 54.420 47.542 1.00 25.64 3497 C GLY A 449 ^■ 0 . 602 55.233 47.623 1.00 25.77 3498 O GLY A 449 0 . 485 54 . 682 47.442 1.00 25.93 3499 N ALA A 450 ^• 0 . 713 56.531 47.888 1.00 26.78 3500 CA ALA A 450 0.468 57.389 47.977 1.00 27.19 3501 CB ALA A 450 0.126 58.801 47.522 1.00 26.08 3502 C ALA A 450 1, .017 57, .411 49. .399 1. .00 29. .24 3503 O ALA A 450 0, .257 57, .385 50, .371 1. .00 30. .60 3504 N CYS A 451 2. .340 57, .458 49, .518 1. .00 29. .55

3505 CA CYS A 451 2, .984 57, .471 50, .822 1. .00 30. .24

3506 CB CYS A 451 4 , .331 56, .750 50, .751 1. .00 29, .14

3507 SG CYS A 451 5, .162 56, .605 52, .352 1. .00 35, .69

3508 C CYS A 451 3, .182 58, .889 51, .345 1. .00 30, .48

3509 O CYS A 451 3, .572 59, .792 50, .601 1. .00 31, .36

3510 N TYR A 452 2, .903 59, .073 52, .630 1. .00 30, .85

3511 CA TYR A 452 3. .041 60, .369 53, .283 1. .00 30, .88

3512 CB TYR A 452 1, .671 60. .994 53, .562 1. .00 29 .45

3513 CG TYR A 452 0 .862 61 .339 52 .334 1. .00 30 .44 3514 CDl TYR A 452 0 .147 60 .358 51 .640 1. .00 28 .57 3515 CEl TYR A 452 ^■0.582 60.676 50.497 1.00 28.43

3516 CD2 TYR A 452 0.827 62.649 51.853 1.00 28.89

3517 CE2 TYR A 452 0, .108 62 , .977 50. .716 1. .00 30. .22

3518 CZ TYR A 452 -0, .594 61. .989 50. .040 1. .00 31. .25

3519 OH TYR A 452 -1, .288 62. .318 48. .899 1. .00 31. .36

3520 C TYR A 452 3, .757 60. .209 54. .612 1. .00 31. .75

3521 0 TYR A 452 3. .693 59, .147 55. .231 1. .00 33. .23

3522 N SER A 453 4 , .444 61, .263 55. .043 1. .00 30. .88

3523 CA SER A 453 5. .128 61. .248 56. .331 1. .00 32. .12

3524 CB SER A 453 6. .526 61. .853 56. .223 1. .00 33. .93

3525 OG SER A 453 7. .150 61. .880 57. .497 1. .00 35. .06

3526 C SER A 453 4. .254 62. .108 57. .231 1. .00 31. .46

3527 0 SER A 453 4. .015 63. .285 56. .942 1. .00 29. .97

3528 N ILE A 454 3 , .761 61. .523 58. .315 1, .00 29. .82

3529 CA ILE A 454 2, .878 62. .266 59. .198 1, .00 29. .24

3530 CB ILE A 454 1. .417 61. .780 59. .015 1, .00 30. .33

3531 CG2 ILE A 454 0, .494 62. .467 60. .024 1. .00 30, .94

3532 CGI ILE A 454 0, .978 62, .050 57. .570 1. .00 31, .17

3533 CDl ILE A 454 -0. .451 61, .675 57. .267 1. .00 33 , .44

3534 C ILE A 454 3. .259 62. .214 60, .673 1. .00 29. .07

3535 0 ILE A 454 3. .640 61, .173 61, .204 1, .00 28, .05

3536 N GLU A 455 3. .161 63, .364 61, .324 1. .00 29, .03

3537 CA GLU A 455 3. .473 63 , .460 62, .737 1, .00 31, .87

3538 CB GLU A 455 4. .053 64, .842 63, .055 1. .00 35, .48

3539 CG GLU A 455 5 .464 65, .044 62, .521 1. .00 41, .84

3540 CD GLU A 455 6. .023 66, .420 62, .828 1, .00 45, .47

3541 OEl GLU A 455 7, .197 66, .667 62, .493 1. .00 50, .48

3542 OE2 GLU A 455 5. .294 67, .257 63, .398 1, .00 49, .36

3543 C GLU A 455 2. .193 63 , .219 63, .526 1, .00 30. .02

3544 0 GLU A 455 1. .206 63 , .937 63, .367 1, .00 28. .58

3545 N PRO A 456 2. .189 62, .189 64 , .383 1, .00 30. .73

3546 CD PRO A 456 3, .282 61, .242 64 , .675 1, .00 28, .19

3547 CA PRO A 456 1, .001 61, .881 65, .182 1. .00 29, .04

3548 CB PRO A 456 1, .511 60, .820 66, .154 1. .00 29. .07

3549 CG PRO A 456 2, .541 60, .096 65, .336 1, .00 29. .54

3550 C PRO A 456 0. .441 63. .107 65. .900 1. .00 30. .24

3551 0 PRO A 456 -0. .775 63. .307 65. .950 1. .00 28. .47 3552 N LEU A 457 1..332 63..933 66, .443 1..00 28..72

3553 CA LEU A 457 0, .913 65. .125 67, .171 1. .00 29. .17

3554 CB LEU A 457 2, .135 65. .840 67, .766 1. .00 28. .73

3555 CG LEU A 457 2, .802 65. .083 68, .926 1. .00 30. .92 3556 CDl LEU A 457 4. .092 65. .784 69 .351 1. .00 31, .26

3557 CD2 LEU A 457 1, .832 64 , .998 70 .102 1. .00 28, .42

3558 C LEU A 457 0. .074 66, .106 66 .355 1. .00 30. .19

3559 0 LEU A 457 ^•0.561 66.992 66.928 1.00 30.57

3560 N ASP A 458 0.057 65.953 65.029 1.00 30.04 3561 CA ASP A 458 ^■0.740 66.846 64.188 1.00 30.97

3562 CB ASP A 458 ^■0.032 67.132 62.855 1.00 34.47

3563 CG ASP A 458 1.239 67.961 63.023 1.00 37.17

3564 ODl ASP A 458 1.300 68.794 63.956 1.00 36.57

3565 0D2 ASP A 458 2.168 67.790 62.207 1.00 35.56 3566 C ASP A 458 -2.135 66.291 63.898 1.00 29.34

3567 O ASP A 458 -2.947 66.945 63.244 1.00 27.70

3568 N LEU A 459 -2.420 65.090 64.394 1.00 29.63 3569 CA LEU A 459 -3.722 64.473 64.152 1.00 27.85 3570 CB LEU A 459 -3.834 63.152 64.914 1.00 26.31 3571 CG LEU A 459 3, .132 61. .992 64, .208 1. .00 26, .15

3572 CDl LEU A 459 3. .189 60, .740 65, .078 1, .00 26, .49

3573 CD2 LEU A 459 3, .803 61, .749 62, .856 1, .00 23, .93

3574 C LEU A 459 4, .929 65, .357 64, .456 1 , .00 26, .87

3575 O LEU A 459 5. .925 65, .305 63, .740 1, .00 29, .01 3576 N PRO A 460 4. .866 66, .178 65, .520 1, .00 29, .49

3577 CD PRO A 460 3, .871 66. .277 66, .604 1 , .00 27, .90

3578 CA PRO A 460 6, .029 67, .026 65, .798 1. .00 28, .67

3579 CB PRO A 460 5. .613 67, .783 67, .057 1. .00 29, .78

3580 CG PRO A 460 4 , .698 66, .801 67, .752 1 , .00 28, .71 3581 C PRO A 460 6. .365 67, .964 64 , .632 1. .00 30, .62

3582 O PRO A 460 7, .526 68, .065 64 , .229 1, .00 31, .93

3583 N GLN A 461 5. .354 68, .649 64 , .093 1. .00 31, .25 3584 CA GLN A 461 5. .565 69, .576 62, .972 1, .00 32, .04 3585 CB GLN A 461 4, .281 70, .338 62, .626 1 , .00 33, .48 3586 CG GLN A 461 3. .588 71, .009 63, .780 1. .00 40, .08

3587 CD GLN A 461 2, .643 70, .081 64 , .502 1, .00 41, .48

3588 OEl GLN A 461 3, .063 69, .239 65, .293 1. .00 42, .94 3589 NE2 GLN A 461 ■1.351 70.221 64.220 1.00 43.57

3590 C GLN A 461 •6.004 68.818 61.725 1.00 29.11

3591 O GLN A 461 ■6.936 69.225 61.029 1.00 29.04 3592 N ILE A 462 ■5.305 67.725 61.443 1.00 28.12 3593 CA ILE A 462 -5.606 66.897 60.285 1.00 27.05 3594 CB ILE A 462 -4.690 65.653 60.252 1.00 27.34

3595 CG2 ILE A 462 ^■5.135 64.693 59.151 1.00 26.83

3596 CGI ILE A 462 ^■3.235 66.091 60.045 1.00 27.16

3597 CDl ILE A 462 -2. ,223 64. .951 60. .098 1. .00 28. .51

3598 C ILE A 462 -7. .068 66. .457 60. .323 1. .00 27. .17

3599 0 ILE A 462 -7. .795 66. .605 59. .338 1. .00 26. .19

3600 N ILE A 463 -7. .501 65. .932 61. .469 1. .00 26. .06

3601 CA ILE A 463 -8. .877 65. .471 61. .613 1. .00 26. .98

3602 CB ILE A 463 -9. .061 64. .714 62. .951 1. .00 25. .51

3603 CG2 ILE A 463 -10. .539 64. .457 63. .220 1. .00 24. .69

3604 CGI ILE A 463 -8. .286 63 , .389 62. .883 1. .00 23. .20

3605 CDl ILE A 463 -8. .192 62, .637 64 , .206 1. .00 24. .30

3606 C ILE A 463 -9. .879 66, .621 61. .491 1, .00 26, .38

3607 0 ILE A 463 -10. .873 66, .501 60, .781 1, .00 27, .71

3608 N GLU A 464 -9. .624 67, .739 62, .163 1, .00 28, .37

3609 CA GLU A 464 -10. .531 68, .878 62, .058 1. .00 30, .73

3610 CB GLU A 464 -10, .027 70, .063 62, .887 1, .00 30, .27

3611 CG GLU A 464 -10, .898 71, .298 62, .735 1, .00 32, .81

3612 CD GLU A 464 -10. .380 72, .508 63, .501 1. .00 36, .14

3613 OEl GLU A 464 -11. .033 73, .570 63, .417 1, .00 35, .36

3614 OE2 GLU A 464 -9. .331 72, .403 64, .181 1. .00 34 , .37

3615 C GLU A 464 -10. .634 69, .303 60, .590 1, .00 30, .20

3616 0 GLU A 464 -11. .716 69, .595 60, .087 1, .00 29, .59

3617 N ARG A 465 -9. .494 69, .328 59, .913 1. .00 33, .21

3618 CA ARG A 465 -9. .430 69, .709 58, .507 1, .00 37, .75

3619 CB ARG A 465 -7. .970 69, .723 58, .044 1, .00 45, .43

3620 CG ARG A 465 -7, .303 71, .085 58, .089 1. .00 57, .02

3621 CD ARG A 465 -7. .638 71, .890 56, .843 1, .00 64 , .75

3622 NE ARG A 465 -9. .074 71, .933 56, .592 1 , .00 71, .75

3623 CZ ARG A 465 -9. .629 72, .510 55 .532 1 , .00 76. .80

3624 NHl ARG A 465 -8. .866 73. .097 54. .619 1. .00 78. .79

3625 NH2 ARG A 465 -10. .947 72. .495 55. .382 1. .00 78. .91 3626 C ARG A 465 -10..233 68..787 57.,588 1..00 35..86

3627 0 ARG A 465 -11. .043 69. .247 56. ,778 1. 00 33. .17

3628 N LEU A 466 -10. .008 67. .484 57. ,730 1. .00 33. .53

3629 CA LEU A 466 -10. .668 66. .483 56. ,893 1. .00 32. .79

3630 CB LEU A 466 -9. .825 65. .206 56. .861 1. .00 35. .65

3631 CG LEU A 466 -8. .365 65. .342 56. .423 1. .00 37. .51

3632 CDl LEU A 466 -7. .685 63. .984 56. .477 1. ,00 39. .62

3633 CD2 LEU A 466 -8. .307 65. .913 55. .018 1. .00 39. .64

3634 C LEU A 466 -12. .100 66. .099 57. .248 1. .00 31. .52

3635 0 LEU A 466 -12, .936 65. .919 56. .360 1. .00 30. .97

3636 N HIS A 467 -12, .385 65, .967 58. .539 1. .00 30, .56

3637 CA HIS A 467 -13 .714 65, .546 58, .985 1. .00 29, .73

3638 CB HIS A 467 -13 .575 64, .342 59, .921 1. .00 27, .64

3639 CG HIS A 467 -12 .841 63, .185 59, .316 1. .00 24, .60

3640 CD2 HIS A 467 -11 .546 62, .799 59, .419 1. .00 24, .31

3641 NDl HIS A 467 -13 .449 62 .266 58, .489 1. .00 24, .20

3642 CEl HIS A 467 -12 .562 61, .362 58, .109 1. .00 24. .76

3643 NE2 HIS A 467 -11 .399 61 .664 58, .659 1. .00 24, .60

3644 C HIS A 467 -14 .535 66, .617 59, .689 1. .00 29, .57

3645 0 HIS A 467 -15 .745 66, .452 59, .870 1. .00 29, .84

3646 N GLY A 468 -13 .885 67 .703 60, .097 1. .00 29, .29

3647 CA GLY A 468 -14 .596 68 .758 60, .800 1. .00 29, .17

3648 C GLY A 468 -14 .580 68 .517 62, .303 1. .00 29, .69

3649 0 GLY A 468 -14 .348 67, .393 62, .750 1. .00 28. .11

3650 N LEU A 469 -14 .837 69, .564 63, .087 1. .00 30. .07

3651 CA LEU A 469 -14 .830 69, .452 64 , .549 1. .00 31, .87

3652 CB LEU A 469 -15. .163 70, .803 65, .196 1. .00 33, .31

3653 CG LEU A 469 -14 .044 71, .842 65, .295 1. .00 33. .42

3654 CDl LEU A 469 -14. .613 73, .132 65, .865 1. .00 33. .43

3655 CD2 LEU A 469 -12. .920 71, .316 66, .177 1. .00 31. .72

3656 C LEU A 469 -15. .766 68, .394 65, .125 1. .00 31. .46

3657 0 LEU A 469 -15. .494 67, .844 66 , .190 1. .00 31. .16

3658 N SER A 470 -16. .869 68, .122 64 , .431 1. .00 31. .34

3659 CA SER A 470 -17. .839 67, .136 64 , .899 1. .00 30. .70

3660 CB SER A 470 -18. .976 66, .985 63 , .885 1. .00 31. .03

3661 OG SER A 470 -18 .513 66 .393 62 .681 1, .00 34. .09

3662 C SER A 470 -17 .201 65 .772 65 .144 1. .00 29. .87 3663 O SER A 470 -17.683 64.997 6655...996666 1..00 30..52

3664 N ALA A 471 -16.115 65.482 6644.. .443366 1. .00 28. .28

3665 CA ALA A 471 -15.433 64.199 6644.. .558844 1. .00 26. .39

3666 CB ALA A 471 -14.27! 64.106 6633.. .559955 1. .00 25. .78

3667 C ALA A 471 -14.931 63.951 6666.. .001100 1. .00 25. .35

3668 0 ALA A 471 -14.642 62.812 6666.. .338866 1. .00 23. .75

3669 N PHE A 472 -14.824 65.014 6666.. .880022 1. .00 25. .79

3670 CA PHE A 472 -14.362 64.887 6688.. .118844 1. .00 24. .76

3671 CB PHE A 472 -13.466 66.071 6688., .556677 1. .00 25, .34

3672 CG PHE A 472 -12.291 66.266 6677., .665588 1. .00 25, .50

3673 CDl PHE A 472 -12.100 67.479 6677., .000022 1. .00 25, .74

3674 CD2 PHE A 472 -11.375 65.242 6677., .445533 1, .00 24 , .41 3675 CEl PHE A 472 -11.012 67.669 6666., .115522 1, .00 25, .78 3676 CE2 PHE A 472 -10.280 65.417 6666. .660066 1, .00 26, .42

3677 CZ PHE A 472 -10.098 66.634 6655., .995522 1. ,00 27, .74

3678 C PHE A 472 -15.553 64.853 6699. .114422 1. .00 25, .11 3679 O PHE A 472 -15.374 64.756 7700. .335577 1. .00 24 , .52 3680 N SER A 473 -16.762 64.931 6688., .559922 1. .00 26, .19

3681 CA SER A 473 •17.967 64.952 6699., .441122 1, .00 27, .03

3682 CB SER A 473 ^■18.542 66.370 6699., .444411 1, .00 28, .87

3683 OG SER A 473 -17.666 67.258 7700., .110077 1, .00 34, .25

3684 C SER A 473 -19.081 63.990 6699., .001199 1. .00 27, .79

3685 0 SER A 473 -20.137 63.986 6699., .665522 1. .00 30, .55

3686 N LEU A 474 ^•18.875 63.180 6677., .998877 1, .00 26, .43

3687 CA LEU A 474 -19.927 62.250 6677., .558833 1, .00 25, .58

3688 CB LEU A 474 -19.491 61.426 6666,. .336699 1, .00 24 , .99

3689 CG LEU A 474 -19.203 62.174 6655,. .007700 1. .00 23 , .29

3690 CDl LEU A 474 -19.043 61.145 6633,. .995577 1. .00 25. .91

3691 CD2 LEU A 474 -20.338 63.134 6644 ,. .773366 1. .00 25, .06

3692 C LEU A 474 -20.309 61.311 6688,. .772255 1. .00 24. .49

3693 0 LEU A 474 -19.450 60.842 69, .471 1. .00 24 , .86

3694 N HIS A 475 -21.602 61.043 68, .855 1. .00 23 , .66

3695 CA HIS A 475 -22.103 60.157 69, .901 1. .00 24. .41

3696 CB HIS A 475 -22.399 60.958 71, .176 1. .00 24. .31

3697 CG HIS A 475 -23.483 61.974 71. .005 1. .00 27. .89

3698 CD2 HIS A 475 -23.439 63.261 70. .581 1, .00 27 .43

3699 NDl HIS A 475 -24.817 61.675 71, .186 1, .00 28. .80 3700 CEl HIS A 475 ■25.548 62.732 70.875 1.00 31.25

3701 NE2 HIS A 475 ■24.736 63.706 70.503 1.00 27.18

3702 C HIS A 475 •23.377 59.500 69.386 1.00 23.74

3703 0 HIS A 475 ■23.857 59.835 68.303 1.00 23.13

3704 N SER A 476 -23.912 58.560 70.158 1.00 24.29

3705 CA SER A 476 -25.131 57.864 69.777 1.00 23.91

3706 CB SER A 476 -26.305 58.845 69.726 1.00 25.19

3707 OG SER A 476 -26.492 59.467 70.986 1.00 28.43

3708 C SER A 476 -24.981 57.171 68.431 1.00 24.05

3709 O SER A 476 -25.763 57.403 67.508 1.00 26.18

3710 N TYR A 477 -23.960 56.331 68.315 1.00 24.77

3711 CA TYR A 477 -23.736 55.589 67.084 1.00 23.95

3712 CB TYR A 477 -22.392 54.862 67.146 1.00 24.11

3713 CG TYR A 477 -21.203 55.800 67.058 1.00 26.14

3714 CDl TYR A 477 -20.787 56.548 68.162 1.00 25.23

3715 CEl TYR A 477 -19.699 57.422 68.074 1.00 25.48

3716 CD2 TYR A 477 -20.505 55.952 65.863 1 .00 26 .07

3717 CE2 TYR A 477 -19.419 56.821 65.761 1 .00 25 .52

3718 CZ TYR A 477 -19.020 57.549 66.867 1. .00 25 .97

3719 OH TYR A 477 -17.928 58.382 66.762 1 .00 24 .67

3720 C TYR A 477 -24.894 54.599 66.950 1 .00 24 .15 3721 O TYR A 477 -25.642 54.392 67.905 1. .00 23. .61 3722 N SER A 478 -25.051 53.992 65.781 1 .00 24 , .19 3723 CA SER A 478 -26.159 53.064 65.575 1, .00 25, .18 3724 CB SER A 478 -26.459 52.931 64.078 1. .00 27, .32 3725 OG SER A 478 -25.445 52.196 63.421 1 .00 31 .57 3726 C SER A 478 -25.898 51.684 66.181 1, .00 25, .82 3727 O SER A 478 -24.755 51.223 66.249 1. .00 25, .82 3728 N PRO A 479 -26.966 51.009 66.643 1, .00 25, .83 3729 CD PRO A 479 -28.355 51.504 66.743 1. .00 23 , .49 3730 CA PRO A 479 -26.845 49.679 67.244 1, .00 24 , .04 3731 CB PRO A 479 -28.300 49.288 67.500 1. .00 25. .27 3732 CG PRO A 479 -28.939 50.612 67.809 1 , .00 24. .86 3733 C PRO A 479 -26.125 48.683 66.341 1, .00 22. .78 3734 O PRO A 479 -25.315 47.879 66.812 1. .00 22. .88 3735 N GLY A 480 -26.423 48.730 65.045 1.00 22.51 3736 CA GLY A 480 -25.779 47.816 64.113 1.00 23.11 3737 C GLY A 480 -24,.264 47..994 64,.067 1..00 23.78

3738 0 GLY A 480 -23, .501 47. .018 64, .057 1. .00 21 .49

3739 N GLU A 481 -23, .828 49. .249 64, .041 1. .00 22 .31

3740 CA GLU A 481 -22, .401 49, .569 63, .995 1. .00 21 .64

3741 CB GLU A 481 -22, .228 51, .073 63, .751 1. .00 22. .36

3742 CG GLU A 481 -20, .792 51, .602 63, .792 1. .00 19. .58

3743 CD GLU A 481 -19, .888 50, .985 62, .741 1. .00 21. .74

3744 OEl GLU A 481 -20, .401 50, .341 61, .802 1. .00 23. .07

3745 OE2 GLU A 481 -18 .652 51 .153 62 .851 1, .00 22 .29

3746 C GLU A 481 -21. .739 49 .140 65 .304 1. .00 21 .95

3747 0 GLU A 481 -20. .711 48 .457 65 .299 1. .00 22 .55

3748 N ILE A 482 -22, .335 49 .530 66 .429 1, .00 22 .53

3749 CA ILE A 482 -21, .798 49 .169 67 .737 1, .00 21 .18

3750 CB ILE A 482 -22, .720 49 .697 68 .868 1, .00 22 .26

3751 CG2 ILE A 482 -22, .233 49 .207 70 .227 1. .00 21 .66

3752 CGI ILE A 482 -22, .745 51 .229 68 .839 1, .00 20 .09

3753 CDl ILE A 482 -23, .775 51 .854 69 .786 1. .00 20 .40

3754 C ILE A 482 -21, .673 47 .647 67 .835 1. .00 22 .88

3755 0 ILE A 482 -20, .641 47, .119 68 .267 1. .00 20 .03

3756 N ASN A 483 -22, .717 46, .939 67 .414 1, .00 21. .00

3757 CA ASN A 483 -22, .704 45, .483 67 .465 1. .00 24. .01

3758 CB ASN A 483 -24, .065 44, .918 67 .071 1. .00 29. .94

3759 CG ASN A 483 -24 , .090 43, .404 67 .105 1. .00 38, .28

3760 ODl ASN A 483 -24 , .034 42, .793 68 .175 1. .00 42, .35

3761 ND2 ASN A 483 -24 , .155 42, .786 65, .931 1. .00 42, .16

3762 C ASN A 483 -21, .625 44 , .857 66, .581 1. .00 23, .04

3763 0 ASN A 483 -21. .001 43, .873 66, .976 1. .00 22. .91

3764 N ARG A 484 -21. .404 45, .406 65, .388 1. .00 21. .00

3765 CA ARG A 484 -20. .373 44 , .849 64 , .511 1. .00 20. .01

3766 CB ARG A 484 -20. .348 45. .553 63 , .149 1. ,00 22. .66

3767 CG ARG A 484 -19. .229 45. .048 62, .239 1. ,00 22. .66

3768 CD ARG A 484 -19. .382 45. .507 60. .797 1. ,00 22. .46

3769 NE ARG A 484 -19. .251 46. .954 60. .639 1. .00 20. .96

3770 CZ ARG A 484 -19. .387 47. .587 59. .478 1. .00 23. .40

3771 NHl ARG A 484 -19. .654 46. .900 58. .368 1. .00 19. .23

3772 NH2 ARG A 484 -19. .274 48. .908 59, .422 1. .00 22. .45

3773 C ARG A 484 -19. .010 44. .989 65, .176 1. .00 19. .87 3774 O ARG A 484 -18.200 44.054 65.164 1 - 00 19 . 25

3775 N VAL A 485 -18.760 46.157 65.759 1 . 00 18 .48

3776 CA VAL A 485 -17.496 46.401 66.443 1 . 00 19 . 33

3777 CB VAL A 485 -17.408 47.866 66.964 1 . 00 19 . 22

3778 CGI VAL A 485 -16.154 48.037 67.820 1.00 20.67

3779 CG2 VAL A 485 -17.366 48.846 65.777 1.00 17.89

3780 C VAL A 485 -17. .344 45. .442 67. .627 1. .00 20. .59

3781 0 VAL A 485 -16. .331 44. .752 67. .755 1. .00 19. .77

3782 N ALA A 486 -18 .355 45, .398 68. .491 1. .00 21, .04

3783 CA ALA A 486 -18. .304 44, .528 69. .662 1. .00 22, .34

3784 CB ALA A 486 -19 .593 44. .666 70. .487 1. .00 20, .48

3785 C ALA A 486 -18 .069 43, .065 69. .282 1. .00 21, .40

3786 0 ALA A 486 -17. .306 42, .372 69. .953 1. .00 23, .66

3787 N SER A 487 -18 .709 42, .603 68, .208 1. .00 19, .87

3788 CA SER A 487 -18 .552 41, .212 67. .762 1. .00 22, .11

3789 CB SER A 487 -19 .542 40, .886 66. .634 1, .00 23, .92

3790 OG SER A 487 -20 .878 40, .927 67, .102 1, .00 27, .94

3791 C SER A 487 -17 .133 40, .960 67, .271 1, .00 22, .09

3792 0 SER A 487 -16 .533 39, .924 67, .555 1. .00 21, .59

3793 N CYS A 488 -16 .604 41, .910 66, .514 1. .00 22 , .63

3794 CA CYS A 488 -15 .245 41, .792 66, .008 1. .00 23, .19

3795 CB CYS A 488 -14 .910 43, .023 65, .162 1. .00 25, .80

3796 SG CYS A 488 -13 .162 43, .198 64 , .793 1. .00 31, .53

3797 C CYS A 488 -14 .265 41, .671 67, .182 1. .00 23, .37

3798 0 CYS A 488 -13 .383 40, .806 67, .187 1. .00 23, .41

3799 N LEU A 489 -14. .429 42, .528 68, .184 1. .00 21, .60

3800 CA LEU A 489 -13, .545 42, .504 69. .344 1. .00 23 , .85

3801 CB LEU A 489 -13 .925 43, .608 70. .337 1. .00 21, .86

3802 CG LEU A 489 -13 .950 45, .038 69. .777 1. .00 24, .51

3803 CDl LEU A 489 -14 , .099 46, .032 70. .926 1. .00 21, .98

3804 CD2 LEU A 489 -12, .667 45, .319 69. .004 1. .00 24. .73

3805 C LEU A 489 -13, .566 41. .153 70. .048 1. .00 25. .25

3806 0 LEU A 489 -12, .517 40. .643 70. .443 1. .00 24. .98

3807 N ARG A 490 -14 , .755 40. .578 70. .213 1. .00 25. .17

3808 CA ARG A 490 -14 , .870 39. .275 70. .864 1. .00 27. .15

3809 CB ARG A 490 -16 .340 38. .869 71. .025 1. .00 25. .73

3810 CG ARG A 490 -17 .087 39. .644 72. .097 1. .00 29, .61 3811 CD ARG A 490 ^■18.432 38.987 72.419 1.00 32.50

3812 NE ARG A 490 ^■19.395 39.131 71.329 1.00 32.98

3813 CZ ARG A 490 ^■20.141 40.213 71.126 1.00 32.05

3814 NHl ARG A 490 ^■20.045 41.255 71.941 1.00 30.64

3815 NH2 ARG A 490 •20.980 4400..225544 70.103 1.00 35.33

3816 C ARG A 490 ■14.143 38.235 70.026 1.00 27.61 3817 O ARG A 490 •13.413 37.394 70.552 1.00 29.38 3818 N LYS A 491 ^■14.346 38.305 68.715 1.00 27.98

3819 CA LYS A 491 ^■13.711 37.380 67.782 1.00 27.19 3820 CB LYS A 491 •14.123 37.717 66.344 1.00 27.69

3821 CG LYS A 491 •13.377 36.915 65.279 1.00 28.27 3822 CD LYS A 491 -13.848 37.270 63.870 1.00 30.64 3823 CE LYS A 491 -13.552 38.724 63.521 1.00 26.86 3824 NZ LYS A 491 -14.110 39.073 62.188 1.00 27.29 3825 C LYS A 491 -12.192 37.431 67.887 1.00 26.48 3826 O LYS A 491 -11.529 36.394 67.975 1.00 25.35 3827 N LEU A 492 -11.647 38.646 67.885 1.00 24.15 3828 CA LEU A 492 -10.199 38.848 67.947 1.00 23.67 3829 CB LEU A 492 -9.841 40.210 67.350 1.00 23.17 3830 CG LEU A 492 -10.097 40.393 65.852 1.00 24.98 3831 CDl LEU A 492 -9.705 41.811 65.449 1.00 24.81 3832 CD2 LEU A 492 9.301 39.366 65.053 1.00 23.46 3833 C LEU A 492 •9.572 38.740 69.333 1.00 21.94 3834 O LEU A 492 -8.352 38.656 69.454 1.00 22.76 33883355 N GLY A 493 ^■10.389 38.745 70.379 1.00 21.11

3836 CA GLY A 493 -9.830 38.668 71.716 1.00 22.27

3837 C GLY A 493 ^■9.327 40.035 72.152 1.00 24.03

3838 O GLY A 493 -8.349 40.158 72.894 1.00 23.68 3839 N VAL A 494 -9.989 41.072 71.657 1.00 23.41 3840 CA VAL A 494 -9.644 42.445 72.000 1.00 24.25 3841 CB VAL A 494 -9.866 43.383 70.791 1.00 23.70 3842 CGI VAL A 494 -9.659 44.827 71.205 1.00 23.79 3843 CG2 VAL A 494 -8.924 43.001 69.647 1.00 25.04 3844 C VAL A 494 ^■10.576 42.871 73.140 1.00 24.94 3845 O VAL A 494 - ^■1111..775599 42.535 73.130 1.00 24.18 3846 N PRO A 495 ^•10.056 43.610 74.138 1.00 24.50 3847 CD PRO A 495 -8.657 44.028 74.343 1.00 24.82 3848 CA PRO A 495 -10.905 44.046 75,.252 1..00 24 ,.56 3849 CB PRO A 495 -9.976 44.954 76, .061 1. .00 25. .40 3850 CG PRO A 495 -8.620 44.327 75, .828 1. .00 25. .25

3851 C PRO A 495 -12.145 44.787 74. .747 1. .00 24 , .45

3852 0 PRO A 495 -12.08! 45.506 73, .746 1. .00 21. .67

3853 N PRO A 496 -13.288 44.605 7755., .442277 1. .00 24. .42

3854 CD PRO A 496 •13.516 43.743 7766. .559999 1. .00 25, .07

3855 CA PRO A 496 ^■14.521 45.278 7755. .001144 1. .00 24 , .11

3856 CB PRO A 496 ^■15.568 44.711 7755. .997744 1. .00 24 , .36

3857 CG PRO A 496 •14.757 44.346 7777. .119966 1. .00 27, .21

3858 C PRO A 496 ^■14.396 46.793 7755. .009944 1. .00 25, .19

3859 0 PRO A 496 ^■13.542 47.323 7755. .880099 1. .00 23. .75

3860 N LEU A 497 •15.257 47.482 7744. .335566 1. .00 25. .25

3861 CA LEU A 497 ^•15.238 48.935 7744. .330044 1. .00 25. .25

3862 CB LEU A 497 ^•16.446 49.448 7733. .550066 1. .00 24 , .92

3863 CG LEU A 497 ^■16.458 49.105 7722. .000099 1. .00 25. .68

3864 CDl LEU A 497 ^■17.769 49.567 7711. .339900 1. .00 25. .45

3865 CD2 LEU A 497 ^■15.277 49.768 7711. .330077 1. .00 22. .27

3866 C LEU A 497 ^■15.189 49.622 75 .665 1. .00 26. .05

3867 0 LEU A 497 ^■14.493 50.626 75 .826 1. .00 24 , .44

3868 N ARG A 498 •15.907 49.084 7766. .664488 1. .00 26. .97

3869 CA ARG A 498 ^■15.925 49.705 7777. .996688 1. .00 27. .33

3870 CB ARG A 498 ^■16.882 48.964 7788. .990044 1. .00 32. .44

3871 CG ARG A 498 ^■16.439 47.579 7799. .334422 1. .00 38. .48

3872 CD ARG A 498 ^■17.528 46.959 8800. .221133 1. .00 43. .24

3873 NE ARG A 498 18, .780 46, .859 79, .469 1, .00 47. .15

3874 CZ ARG A 498 19, .074 45 .869 78. .632 1. .00 48, .47

3875 NHl ARG A 498 18, .208 44 .882 78. .443 1. .00 49, .20

3876 NH2 ARG A 498 20, .220 45 .881 77. .963 1. .00 48, .21

3877 C ARG A 498 14 , .540 49, .787 78, .596 1. .00 25, .35

3878 0 ARG A 498 14 , .252 50, .722 79, .332 1, .00 25, .99

3879 N VAL A 499 13, .690 48, .809 78, .301 1 , .00 24 , .18

3880 CA VAL A 499 12, .324 48, .786 78. .821 1. .00 23 , .90

3881 CB VAL A 499 11, .643 47, .420 78. .545 1. .00 23 , .35

3882 CGI VAL A 499 10, .152 47, .493 78. .861 1. .00 22 , .78

3883 CG2 VAL A 499 12, .300 46, .335 79. .389 1. .00 25. .43

3884 C VAL A 499 11 , .507 49, .896 78. .152 1. .00 25. .22 3885 O VAL A 499 -10.679 50.553 78.793 1.00 24.44

3886 N TRP A 500 -11.748 50.105 76.861 1.00 24.76

3887 CA TRP A 500 -11.033 51.133 76.115 1.00 23.89

3888 CB TRP A 500 -11.314 50.990 74.616 1.00 21.77

3889 CG TRP A 500 -10.654 49.775 74.059 1.00 21.15

3890 CD2 TRP A 500 -9.249 49.599 73.839 1.00 21.52

3891 CE2 TRP A 500 9.056 48.265 73.417 1.00 19.83

3892 CE3 TRP A 500 8.131 50.442 73.961 1.00 22.93 3893 CDl TRP A 500 -11.242 48.580 73.762 1.00 19.57

3894 NEl TRP A 500 -10.289 47.665 73.378 1.00 20.19

3895 CZ2 TRP A 500 7.792 47.748 73.117 1.00 21.32

3896 CZ3 TRP A 500 6.874 49.930 73.661 1.00 21.58

3897 CH2 TRP A 500 -6.715 48.594 73.245 1.00 23.31

3898 C TRP A 500 -11.361 52.549 76.593 1.00 25.66

3899 O TRP A 500 -10.481 53.407 76.643 1.00 23.41

3900 N ARG A 501 -12.619 52.786 76.953 1.00 24 . 07

3901 CA ARG A 501 -13.030 54.100 77.438 1.00 26 . 10

3902 CB ARG A 501 -14.516 54.083 77.824 1.00 26 . 19

3903 CG ARG A 501 -15. Oil 55.381 78.444 1.00 28 . 67

3904 CD ARG A 501 -16.459 55.289 78.913 1.00 29 . 31 3905 NE ARG A 501 -16.900 56.543 79.527 1.00 28 . 42

3906 CZ ARG A 501 -17.171 57.654 78.850 1.00 31 . 63

3907 NHl ARG A 501 -17.059 57.671 77.526 1.00 31 . 95

3908 NH2 ARG A 501 -17.524 58.762 79.494 1.00 30 . 04

3909 C ARG A 501 -12.197 54.541 78.647 1.00 26 . 03

3910 O ARG A 501 -11.780 55.692 78.742 1.00 26 . 04

3911 N HIS A 502 -11.941 53.619 79.567 1.00 26 . 10

3912 CA HIS A 502 -11.187 53.962 80.759 1.00 25 . 10

3913 CB HIS A 502 -11.610 53.030 81.891 1.00 26.16

3914 CG HIS A 502 -13.092 53.035 82.110 1.00 27.41

3915 CD2 HIS A 502 -13.982 54.057 82.111 1.00 24.43

3916 NDl HIS A 502 -13.831 51.880 82.259 1.00 25.41

3917 CEl HIS A 502 -15.115 52.191 82.336 1.00 25.27

3918 NE2 HIS A 502 -15.233 53.506 82.249 1.00 26.62

3919 C HIS A 502 -9.686 53.978 80.525 1.00 25.97

3920 O HIS A 502 -8.954 54.676 81.232 1.00 26.18

3921 N ARG A 503 -9.218 53.233 79.526 1.00 24.11 3922 CA ARG A 503 -7,.796 53..271 79..202 1..00 25..38

3923 CB ARG A 503 -7. .411 52. .165 78. .215 1. .00 23. .66

3924 CG ARG A 503 -7. .273 50. .783 78. .827 1. .00 23. .26

3925 CD ARG A 503 -6, .914 49. .750 77. .759 1. .00 24. .58

3926 NE ARG A 503 -6. .782 48. .412 78. .328 1. .00 25. .02

3927 CZ ARG A 503 -6. .444 47 , .328 77. .636 1. .00 25, .41

3928 NHl ARG A 503 -6, .200 47. .408 76. .329 1. .00 25, .76

3929 NH2 ARG A 503 -6. .340 46. .162 78. .255 1. .00 23 , .48

3930 C ARG A 503 -7. .562 54. .632 78. .541 1. .00 24 , .08

3931 0 ARG A 503 -6, .533 55, .268 78, .753 1, .00 24 , .48

3932 N ALA A 504 -8. .532 55, .068 77, .741 1. .00 24 , .45

3933 CA ALA A 504 -8, .442 56, .350 77, .043 1, .00 26, .45

3934 CB ALA A 504 -9. .634 56, .524 76, .105 1, .00 25, .51

3935 C ALA A 504 -8, .394 57, .505 78, .043 1, .00 26, .77

3936 0 ALA A 504 -7, .660 58, .477 77, .851 1, .00 27, .25

3937 N ARG A 505 -9, .183 57, .398 79, .104 1. .00 25, .90

3938 CA ARG A 505 -9, .210 58, .432 80, .132 1. .00 26, .31

3939 CB ARG A 505 -10, .185 58. .036 81, .242 1, .00 26, .81

3940 CG ARG A 505 -10, .297 59 .054 82, .367 1. .00 29, .68

3941 CD ARG A 505 -11 .490 58. .741 83, .248 1. .00 29 .22

3942 NE ARG A 505 -12 .722 58 .802 82, .470 1. .00 31, .45

3943 CZ ARG A 505 -13 .909 58. .406 82, .911 1, .00 29, .84

3944 NHl ARG A 505 -14 .033 57. .916 84 , .138 1. .00 29, .55

3945 NH2 ARG A 505 -14 .966 58 .490 82, .115 1. .00 29, .79

3946 C ARG A 505 -7, .802 58. .599 80, .703 1. .00 25, .32

3947 0 ARG A 505 -7 .350 59, .715 80, .965 1. .00 25, .35

3948 N SER A 506 -7. .117 57, .475 80, .884 1, .00 22, .90

3949 CA SER A 506 -5, .756 57, .461 81, .407 1. .00 24 , .25

3950 CB SER A 506 -5, .329 56, .022 81, .704 1, .00 21, .68

3951 OG SER A 506 -3, .940 55, .956 81, .980 1. .00 20, .59

3952 C SER A 506 -4 , .780 58, .102 80, .414 1, .00 25, .63

3953 0 SER A 506 -3, .952 58, .933 80, .796 1. .00 26, .42

3954 N VAL A 507 -4 , .881 57, .702 79, .145 1. .00 26, .16

3955 CA VAL A 507 -4 , .036 58, .237 78, .078 1. .00 24 , .43

3956 CB VAL A 507 -4, .375 57, .587 76 , .703 1. .00 25, .47

3957 CGI VAL A 507 -3, .507 58, .188 75, .614 1. .00 22, .89

3958 CG2 VAL A 507 -4.179 56.085 76.769 1.00 26.73 3959 C VAL A 507 -4.257 59.746 77.954 1.00 25.40

3960 O VAL A 507 -3.311 60.516 77.765 1.00 25.67 3961 N ARG A 508 -5. .514 60. .159 78. .053 1. .00 23. .62 3962 CA ARG A 508 -5. .866 61. .571 77. .951 1. .00 26. .53 3963 CB ARG A 508 -7. .378 61. .742 78. .132 1. .00 24. .78 3964 CG ARG A 508 -7. .844 63. .194 78. .200 1. .00 27. .14 3965 CD ARG A 508 -9. .359 63. .280 78. .286 1. .00 25. .66

3966 NE ARG A 508 -9. .826 64. .651 78. .467 1. .00 27. .66

3967 CZ ARG A 508 -9. .815 65. .305 79. .626 1. .00 28. .46

3968 NHl ARG A 508 -9 .361 64 .714 80. .726 1. .00 26 .18

3969 NH2 ARG A 508 10, .259 66 .555 79. .685 1. .00 26 .64

3970 C ARG A 508 -5 .115 62 .398 78. .995 1, .00 27 .26

3971 0 ARG A 508 -4, .476 63 .403 78. .666 1. .00 27 .46 3972 N ALA A 509 -5, .192 61 .960 80. .250 1, .00 27 .10 3973 CA ALA A 509 -4. .528 62 .640 81. .359 1. .00 28 .26 3974 CB ALA A 509 -4 .848 61. .928 82 .675 1. .00 26 .36 3975 C ALA A 509 -3, .013 62 .717 81, .156 1, .00 27 .25 3976 0 ALA A 509 -2 .394 63, .742 81, .437 1. .00 28 .00 3977 N LYS A 510 -2 .416 61, .636 80, .665 1, .00 27 .22 3978 CA LYS A 510 -0. .977 61, .622 80, .433 1. .00 29 .12 3979 CB LYS A 510 -0 .512 60, .227 80, .001 1, .00 30 .57

3980 CG LYS A 510 -0, .764 59, .129 81, .031 1. .00 31 .07

3981 CD LYS A 510 -0, .126 57, .810 80, .605 1. .00 29 .14

3982 CE LYS A 510 -0 .377 56, .716 81, .637 1. .00 31, .07

3983 NZ LYS A 510 0, .357 55, .458 81, .308 1. .00 32, .57

3984 C LYS A 510 -0, .608 62, .644 79, .355 1, .00 30, .61

3985 O LYS A 510 0, .390 63, .364 79, .481 1, .00 28. .83

3986 N LEU A 511 -1, .420 62, .708 78, .301 1. .00 30. .55

3987 CA LEU A 511 -1, .177 63, .641 77, .201 1. .00 31. .04

3988 CB LEU A 511 -2, .150 63, .367 76, .046 1. .00 29, .52

3989 CG LEU A 511 -1, .941 62, .054 75, .281 1. .00 30, .49

3990 CDl LEU A 511 -3, .089 61, .842 74. .302 1. .00 29. .43

3991 CD2 LEU A 511 -0. .610 62, .092 74 , .535 1. .00 29, .20

3992 C LEU A 511 -1, .317 65, .088 77. .674 1. .00 30, .99

3993 O LEU A 511 -0, .483 65, .940 77. .352 1. .00 31. .07

3994 N LEU A 512 -2 .377 65 .365 78, .426 1, .00 29 .70

3995 CA LEU A 512 -2 .597 66 .710 78, .952 1. .00 31. .93 3996 CB LEU A 512 ^■3.902 66.768 79.752 1.00 31.16

3997 CG LEU A 512 -5.221 66.608 78.997 1.00 31.21

3998 CDl LEU A 512 ^•6.356 66.483 79.998 1.00 33.46

3999 CD2 LEU A 512 ^•5.449 67.798 78.079 1.00 33.04

4000 C LEU A 512 ^■1.438 67.141 79.860 1.00 32.42

4001 O LEU A 512 0.986 68.288 79.801 1. .00 33. .23

4002 N SER A 513 ^•0.952 66.215 80.684 1. .00 32. .32 4003 CA SER A 513 0.131 66.520 81.613 1. .00 35. .49

4004 CB SER A 513 0.397 65.326 82.536 1. .00 33 .71

4005 OG SER A 513 1.273 64.389 81.930 1. .00 35 .23

4006 C SER A 513 1.433 66.926 80.924 1. .00 37 .99 4007 O SER A 513 2.327 67.490 81.559 1. .00 38. .27 4008 N GLN A 514 1.538 66.652 79.628 1. .00 38 .69

4009 CA GLN A 514 2.747 66.987 78.886 1. .00 40 .73

4010 CB GLN A 514 2.987 65.950 77.788 1. .00 44 .59

4011 CG GLN A 514 2.868 64.521 78.269 1. .00 51 .07 4012 CD GLN A 514 4.078 63.691 77.918 1. .00 54 .68

4013 OEl GLN A 514 4.457 63.587 76.751 1. .00 57 .29

4014 NE2 GLN A 514 4.694 63.091 78.929 1. .00 58, .52

4015 C GLN A 514 2.692 68.379 78.266 1. .00 37, .81

4016 0 GLN A 514 3.712 68.901 77.830 1. .00 38, .18

4017 N GLY A 515 1.503 68.971 78.232 1. .00 36, .65

4018 CA GLY A 515 1.338 70.293 77.651 1. .00 35. .41

4019 C GLY A 515 1.584 70.330 76.151 1. .00 35, .80

4020 OO GLY A 515 1.759 69.290 75.510 1. .00 34 , .95

4021 NN GLY A 516 1.580 71.535 75.586 1. .00 36, .25

4022 CA GLY A 516 1.836 71.708 74.164 1. .00 35, .16

4023 C GLY A 516 0.957 70.921 73.208 1. .00 34 , .97

4024 O GLY A 516 ^•0.247 70.774 73.424 1. .00 33 , .85

4025 N ARG A 517 1.570 70.419 72.139 1. .00 34 , .50

4026 CA ARG A 517 0.860 69.649 71.124 1. .00 34 , .47

4027 CB ARG A 517 1.817 69.277 69.988 1. .00 36, .98 4028 CG ARG A 517 2.477 70.479 69.309 1. .00 38, .96

4029 CD ARG A 517 3.645 70.044 68.429 1. .00 41 , .57

4030 NE ARG A 517 3.212 69.334 67.228 1. .00 39, .08

4031 CZ ARG A 517 3.992 68.527 66.513 1, .00 40 .24 4032 NHl ARG A 517 5.251 68.319 66.880 1. .00 40 .17 033 NH2 ARG A 517 3.515 67.932 65.427 1.00 40.98 034 C ARG A 517 0.240 68.388 71.717 1.00 33.51 035 0 ARG A 517 ^■0.896 68.042 71.397 1.00 33.46 036 N ALA A 518 0.991 67.702 72.577 1.00 32.50 037 CA ALA A 518 0.499 66.487 73.216 1.00 31.59 038 CB ALA A 518 1.552 65.924 74.161 1.00 30.81 039 C ALA A 518 -0.789 66.782 73.979 1.00 31.33 040 0 ALA A 518 ^■1.753 66.015 73.913 1.00 32.63 041 N ALA A 519 ^■0.808 67.901 74.697 1.00 30.62

4042 CA ALA A 519 ^■1.989 68.284 75.459 1.00 29.72

4043 CB ALA A 519 ^■1.710 69.554 76.274 1.00 28.87

4044 C ALA A 519 ^■3.175 68.505 74.525 1.00 28.59 4045 O ALA A 519 ^■4.314 68.191 74.877 1.00 27.54 4046 N ILE A 520 ^■2.911 69.049 73.338 1.00 28.81 4047 CA ILE A 520 -3.977 69.293 72.374 1.00 29.18

4048, CB ILE A 520 -3.464 70.078 71.142 1.00 31.53

4049 CG2 ILE A 520 -4.544 70.126 70.066 1.00 29.71

4050 CGI ILE A 520 -3.074 71.500 71.557 1.00 32.79

4051 CDl ILE A 520 -2.530 72.348 70.415 1.00 32.59

4052 C ILE A 520 -4.575 67.962 71.915 1.00 28.55

4053 O ILE A 520 -5.783 67.855 71.704 1.00 28.77

4054 N CYS A 521 -3.725 66.951 71.765 1.00 27.03

4055 CA CYS A 521 -4.191 65.628 71.367 1.00 26.82

4056 CB CYS A 521 3 .009 64. .673 71 .168 1, .00 27 .38

4057 SG CYS A 521 2 .143 64, .824 69 .576 1, .00 29 .19

4058 C CYS A 521 5, .103 65, .085 72 .466 1, .00 27 .82

4059 O CYS A 521 6 .201 64, .589 72 .191 1, .00 26 .47

4060 N GLY A 522 4. .642 65, .191 73 .711 1, .00 26 .00

4061 CA GLY A 522 5. .422 64, .707 74 .832 1 , .00 25 .38

4062 C GLY A 522 6. .787 65, .357 74 .898 1 , .00 27, .49

4063 O GLY A 522 7. .802 64, .685 75 .111 1. .00 26, .74

4064 N LYS A 523 6. .813 66, .671 74 .699 1. .00 26, .35

4065 CA LYS A 523 8. .054 67, .435 74 , .755 1. .00 27, .17

4066 CB LYS A 523 7, .734 68, .931 74 , .721 1. .00 28, .36

4067 CG LYS A 523 8. .946 69, .837 74 , .588 1. .00 29, .95

4068 CD LYS A 523 8. .515 71, .299 74 , .594 1. .00 32, .79

4069 CE LYS A 523 9, .690 72 , .240 74 , .383 1. .00 33, .23 4070 NZ LYS A 523 -9.232 73.666 74.409 1.00 37.25

4071 C LYS A 523 -9.065 67.103 73.658 1.00 26.56

4072 0 LYS A 523 -10.225 66.809 73.946 1.00 26.28

4073 N TYR A 524 -8.631 67.154 72.402 1.00 26.64

4074 CA TYR A 524 -9.531 66.883 71.284 1.00 26.75

4075 CB TYR A 524 -9.021 67.566 70.011 1.00 28.87

4076 CG TYR A 524 -9.117 69.069 70.058 1.00 29.71

4077 CDl TYR A 524 -8.220 69.820 7700..881188 1.00 32.69

4078 CEl TYR A 524 -8.340 71.211 7700..991100 1.00 33.66

4079 CD2 TYR A 524 •10.136 69.739 6699..338877 1.00 31.54

4080 CE2 TYR A 524 ^■10.268 71.125 6699..447711 1.00 33.39

4081 CZ TYR A 524 -9.365 71.852 7700..223366 1.00 34.30

4082 OH TYR A 524 -9.494 73.220 7700..333300 1.00 34.84 4083 C TYR A 524 -9.800 65.415 7700..997755 1.00 25.88 4084 O TYR A 524 ^■10.949 65.021 7700..779944 1.00 24.96 4085 N LEU A 525 -8.745 64.613 7700..990099 1.00 24.73 4086 CA LEU A 525 -8.892 63.199 7700..557744 1.00 24.60

4087 CB LEU A 525 ^■7.524 62.573 7700..330022 1.00 22.98

4088 CG LEU A 525 ^■6.673 63.171 6699..118800 1.00 22.34

4089 CDl LEU A 525 ^■5.484 62.250 6688..992255 1.00 20.72

4090 CD2 LEU A 525 -7.491 63.320 6677..991111 1.00 23.06

4091 C LEU A 525 -9.611 62.349 7711..661122 1.00 25.42 092 0 LEU A 525 ^■10.250 61.352 7711..226611 1.00 24.02 093 N PHE A 526 -9.524 62.737 7722..888833 1.00 26.03 094 CA PHE A 526 •10.150 61.943 7733..993322 1.00 25.78 095 CB PHE A 526 -9.063 61.341 7744..881199 1.00 24.66

4096 CG PHE A 526 -8.079 60.493 7744..006666 1.00 25.29

4097 CDl PHE A 526 -6.832 60.997 73.711 1.00 26.51

4098 CD2 PHE A 526 -8.409 59.191 73.692 1.00 24.55

4099 CEl PHE A 526 -5.922 60.218 7722..999944 1.00 23.94

4100 CE2 PHE A 526 -7.509 58.403 7722..997766 1.00 25.21

4101 CZ PHE A 526 -6.263 58.915 7722..662266 1.00 24.66

4102 C PHE A 526 ^■11.203 62.630 7744..779900 1.00 25.00

4103 0 PHE A 526 ^■11.491 62.186 7755..990000 1.00 27.38

4104 N ASN A 527 -11.792 63.700 7744..227711 1.00 25.49

4105 CA ASN A 527 -12.826 64.418 7744..999999 1.00 25.71

4106 CB ASN A 527 -13.265 65.652 7744..220044 1.00 26.03 4107 CG ASN A 527 -13.932 66.698 75,.073 1.,00 27..28

4108 ODl ASN A 527 -13.459 66.995 76, .172 1. .00 27, .91

4109 ND2 ASN A 527 -15.026 67.278 74. .581 1. .00 26 , .25

4110 C ASN A 527 -14.014 63.481 75, .202 1. .00 25, .50 4111 O ASN A 527 ^■14.796 63.644 76, .136 1. .00 26, .69

4112 N TRP A 528 ^■14.142 62.492 74, .324 1. .00 26, .05

4113 CA TRP A 528 ^■15.241 61.541 74 , .421 1. .00 24 , .31

4114 CB TRP A 528 ^■15.302 60.659 73, .168 1. .00 23 , .64

4115 CG TRP A 528 -14.051 59.859 72 .919 1. .00 22 .54 4116 CD2 TRP A 528 -13.715 58.585 7733. .448877 1. .00 24 .70

4117 CE2 TRP A 528 -12.430 58.238 7733..001100 1. .00 23 .25

4118 CE3 TRP A 528 -14.375 57.703 74 .355 1. .00 24 .74

4119 CDl TRP A 528 -12.986 60.220 7722..11338 1. .00 22 .85

4120 NEl TRP A 528 -12.010 59.249 7722 ..118866 1. .00 21 .84 4121 CZ2 TRP A 528 -11.791 57.046 7733 ..337744 1, .00 23 .52

4122 CZ3 TRP A 528 -13.737 56.514 7744 ..771166 1, .00 23 .78

4123 CH2 TRP A 528 ^■12.458 56.201 74.226 1.00 23.94

4124 C TRP A 528 ^■15.140 60.640 75.648 1.00 25.45

4125 0 TRP A 528 ^■16.150 60.112 76.121 1.00 26.04 4126 N ALA A 529 ^■13.928 60.471 76.165 1.00 24.96

4127 CA ALA A 529 ^■13.702 59.587 77.305 1.00 26.78

4128 CB ALA A 529 ^■12.298 59.002 77.215 1.00 26.64

4129 C ALA A 529 ^■13.936 60.144 78.714 1.00 28.75 4130 O ALA A 529 13.692 59.434 79.692 1.00 29.98 4131 N VAL A 530 ^■14.396 61.390 78.828 1.00 29.83

4132 CA VAL A 530 -14.651 61.997 80.138 1.00 31.70

4133 CB VAL A 530 -13.641 63.135 80.455 1.00 31.53

4134 CGI VAL A 530 ^•12.252 62.555 80.703 1.00 30.28

4135 CG2 VAL A 530 ^■13.600 64.129 79.311 1.00 30.03 4136 C VAL A 530 16.066 62.567 80.227 1.00 33.91

4137 0 VAL A 530 -16.636 62.991 79.219 1.00 33.45

4138 N ARG A 531 -16.633 62.578 81.431 1.00 35.81 4139 CA ARG A 531 -17.986 63.096 81.618 1.00 40.09

4140 CB ARG A 531 -18.528 62.713 83.001 1.00 44.24 4141 CG ARG A 531 -20.037 62.913 83.156 1.00 53.49

4142 CD ARG A 531 -20.493 62.708 84.603 1.00 61.62

4143 NE ARG A 531 -21.949 62.750 84.751 1.00 69.35 4144 CZ ARG A 531 -22..777 61..797 84..329 1..00 73..53

4145 NHl ARG A 531 -24. .087 61. .921 84. .505 1. .00 74. .92

4146 NH2 ARG A 531 -22. .296 60. .714 83. .735 1. .00 75. .87

4147 C ARG A 531 -17. .992 64. .617 81. .459 1. .00 40. .17

4148 0 ARG A 531 -18, .808 65. .167 80. .718 1. .00 39. .92

4149 N THR A 532 -17, .093 65. .301 82. .164 1. .00 40. .08

4150 CA THR A 532 -17. .020 66, .756 82. .047 1. .00 41. .45

4151 CB THR A 532 -16, .344 67. .421 83. .264 1. .00 41. .00

4152 OGl THR A 532 -17, .106 67. .151 84. .445 1. .00 43. .78

4153 CG2 THR A 532 -16, .270 68. .934 83. .061 1. .00 41. .25

4154 C THR A 532 -16, .190 67, .042 80, .812 1. .00 41. .19

4155 0 THR A 532 -14 , .973 66, .874 80, .810 1. .00 42. .60

4156 N LYS A 533 -16, .858 67, .480 79, .758 1. .00 41. .82

4157 CA LYS A 533 -16, .182 67, .744 78, .506 1. .00 41. .40

4158 CB LYS A 533 -17, .093 67, .296 77, .367 1. .00 41. .44

4159 CG LYS A 533 -17, .446 65, .820 77, .507 1. .00 40. .50

4160 CD LYS A 533 -18, .470 65 .352 76, .513 1. .00 40. .26

4161 CE LYS A 533 -18, .827 63 .896 76 .778 1, .00 40. .18

4162 NZ LYS A 533 -17, .633 63 .006 76 .701 1. .00 36, .94

4163 C LYS A 533 -15, .736 69 .185 78 .330 1. .00 41, .57

4164 0 LYS A 533 -16, .438 70, .122 78 .713 1, .00 42, .46

4165 N LEU A 534 -14, .543 69 .348 77, .771 1, .00 40, .29

4166 CA LEU A 534 -13 .984 70 .667 77 .527 1, .00 39, .71

4167 CB LEU A 534 -12. .463 70 .578 77 .394 1, .00 37, .23

4168 CG LEU A 534 -11 .729 69 .911 78 .561 1. .00 36, .63

4169 CDl LEU A 534 -10. .235 69, .871 78 .263 1. .00 34 , .89

4170 CD2 LEU A 534 -12, .002 70, .675 79 .856 1. .00 37, .33

4171 C LEU A 534 • 14 . 582 71 . 198 76.236 1.00 41.04 4172 0 LEU A 534 ^■ 15 . 061 70 . 425 75.402 1 . 00 41 . 01 4173 N LYS A 535 • 14 . 575 72 . 516 76.072 1 . 00 42 . 82 4174 CA LYS A 535 -15.112 73.108 74.856 1.00 44.34 4175 CB LYS A 535 -15.460 74.582 75.071 1.00 48.26

4176 CG LYS A 535 -16.666 74.813 75.964 1 . 00 54 . 20

4177 CD LYS A 535 -17.012 76.293 76.032 1 . 00 59 . 60

4178 CE LYS A 535 -18.257 76.538 76.870 1 . 00 62 . 75 4179 NZ LYS A 535 -18.635 77.982 76.888 1 . 00 66 . 92 4180 C LYS A 535 -14.069 72.979 73.763 1 . 00 42 . 97 4181 O LYS A 535 -12..942 73..459 73..908 1..00 43..58

4182 N LEU A 536 -14. .444 72. .315 72. .675 1. .00 41. .40

4183 CA LEU A 536 -13. .535 72. .118 71. .558 1. .00 39. .93

4184 CB LEU A 536 -13. .710 70. .708 70. .985 1. .00 37. .34

4185 CG LEU A 536 -13. .515 69. .581 72. .011 1. .00 37. .38

4186 CDl LEU A 536 -13. .616 68. .232 71. .319 1. .00 35. .86

4187 CD2 LEU A 536 -12. .153 69. .721 72. .688 1. .00 35. .25

4188 C LEU A 536 -13. .778 73. .177 70. .485 1. ,00 40. ,03

4189 0 LEU A 536 -14, .767 73, .130 69. .751 1. .00 40. .94

4190 N THR A 537 -12. .863 74 , .135 70. .415 1. .00 38. .25

4191 CA THR A 537 -12. .951 75, .229 69. .459 1. .00 37, .73

4192 CB THR A 537 -12. .606 76, .569 70. .140 1. .00 37, .95

4193 OGl THR A 537 -11, .285 76, .498 70, .696 1. .00 36, .20

4194 CG2 THR A 537 -13, .592 76, .864 71, .257 1. .00 36, .23

4195 C THR A 537 -11, .987 75 .001 68, .301 1. .00 37, .89

4196 0 THR A 537 -11, .002 74 .271 68, .438 1. .00 38, .26

4197 N PRO A 538 -12, .258 75 .622 67, .141 1. .00 38, .18

4198 CD PRO A 538 -13, .393 76 .518 66, .850 1, .00 37, .07

4199 CA PRO A 538 -11, .398 75 .474 65, .964 1. .00 38, .50

4200 CB PRO A 538 -11 .897 76 .577 65, .042 1. .00 38, .98

4201 CG PRO A 538 -13 .370 76 .593 65, .337 1. .00 36, .32

4202 C PRO A 538 -9 .920 75 .624 66, .300 1. .00 40. .23

4203 0 PRO A 538 -9 .517 76 .598 66, .936 1. .00 41, .82

4204 N ILE A 539 -9 .114 74 .654 65, .881 1, .00 40, .33

4205 CA ILE A 539 -7 .680 74 .700 66, .143 1, .00 43, .02

4206 CB ILE A 539 -7, .047 73 .300 66, .077 1. .00 40, .35

4207 CG2 ILE A 539 -5, .573 73 .386 66, .407 1. .00 40, .51

4208 CGI ILE A 539 -7 .738 72 .366 67, .071 1. .00 40, .28

4209 CDl ILE A 539 -7, .271 70 .927 66, .969 1. .00 37, .25

4210 C ILE A 539 -7, .003 75 .592 65, .106 1. .00 45, .60

4211 O ILE A 539 -7, .135 75 .371 63 , .902 1. .00 45, .67

4212 N PRO A 540 -6, .266 76 .615 65, .566 1. .00 48, .55

4213 CD PRO A 540 -6, .024 76 .947 66, .982 1. .00 49, .05

4214 CA PRO A 540 -5, .563 77 .554 64. .686 1. .00 50, .27

4215 CB PRO A 540 -4 , .648 78 .299 65, .651 1. .00 49, .79

4216 CG PRO A 540 -5 .482 78 .361 66 .892 1. .00 49 .48

4217 C PRO A 540 -4 .797 76 .897 63 .539 1, .00 51 .69 4218 0 PRO A 540 -4.954 77.281 62.380 1.00 51.45

4219 N ALA A 541 -3.974 75.906 63.862 1.00 53.61

4220 CA ALA A 541 -3.185 75.212 62.850 1.00 56.31

4221 CB ALA A 541 -2.343 74.126 63.504 1.00 55.14 4222 C ALA A 541 -4.042 74.606 61.736 1.00 58.61

4223 O ALA A 541 -3.597 74.505 60.591 1.00 59.36

4224 N ALA A 542 -5.267 74.212 62.070 1.00 60.01

4225 CA ALA A 542 -6.171 73.604 61.097 1.00 63.00

4226 CB ALA A 542 -7.520 73.314 61.747 1.00 63.06 4227 C ALA A 542 -6.369 74.450 59.839 1.00 64.98

4228 O ALA A 542 ^■5.940 74.063 58.751 1.00 66.54

4229 N SER A 543 ^•7.022 75.600 59.986 1.00 66.46

4230 CA SER A 543 ^■7.276 76.483 58.851 1.00 68.94

4231 CB SER A 543 ^■7.999 77.751 59.318 1.00 68.84 4232 OG SER A 543 -7.199 78.498 60.218 1.00 69.24

4233 C SER A 543 -5.991 76.863 58.117 1.00 70.53

4234 O SER A 543 -6.033 77.333 56.980 1.00 71.44

4235 N ARG A 544 -4.853 76.655 58.771 1.00 72.59

4236 CA ARG A 544 -3.553 76.970 58.184 1.00 74.74 4237 CB ARG A 544 2.599 77.479 59.275 1.00 78.68

4238 CG ARG A 544 1.170 77.718 58.803 1.00 84.02

4239 CD ARG A 544 0.295 78.347 59.877 1.00 88.38

4240 NE ARG A 544 1.091 78.465 59.425 1.00 93.46

4241 CZ ARG A 544 2.031 79.164 60.054 1.00 96.74 4242 NHl ARG A 544 3.263 79.209 59.565 1.00 98.08

4243 NH2 ARG A 544 1.740 79.826 61.167 1.00 99.13

4244 C ARG A 544 2. .962 75. .732 57 .510 1. .00 73. .68

4245 O ARG A 544 1. .798 75, .722 57 .108 1, .00 73. .59

4246 N LEU A 545 3. .778 74, .693 57, .370 1, .00 72. .62 4247 CA LEU A 545 3. .319 73, .443 56, .772 1, .00 71. .03

4248 CB LEU A 545 3. .470 72, .313 57, .796 1, .00 68. .88

4249 CG LEU A 545 2. .809 70, .967 57, .508 1. .00 66. .36

4250 CDl LEU A 545 1. .310 71, .155 57, .344 1, .00 65. .77

4251 CD2 LEU A 545 3. .104 70, .013 58, .652 1. .00 65. .15 4252 C LEU A 545 4. .058 73 , .071 55, .486 1 , .00 71. .08

4253 O LEU A 545 5 .290 73 .121 55 .432 1 .00 68. .90

4254 N LEU A 546 3 .299 72 .703 54 .454 1, .00 71, .70 4255 CA LEU A 546 -3.888 72.300 53.178 1.00 72.30

4256 CB LEU A 546 -3.314 73.117 52.010 1.00 77.96

4257 CG LEU A 546 -1.845 72.909 51.619 1.00 81.46

4258 CDl LEU A 546 -1.668 73.183 50.132 1.00 82.56

4259 CD2 LEU A 546 0 .948 73, .806 52, .461 1, .00 83. .54

4260 C LEU A 546 3. .634 70, .815 52, .924 1, .00 69. .35

4261 0 LEU A 546 2 .491 70, .383 52, .750 1. .00 67. .78 4262 N LEU A 547 4 .709 70, .035 52, .914 1, .00 65, .39 4263 CA LEU A 547 4. .605 68, .603 52, .680 1, .00 62. .56 44226644 CB LEU A 547 5 .288 67, .836 53, .818 1, .00 58. .98 4265 CG LEU A 547 4 .774 68, .134 55, .233 1, .00 56. .36

4266 CDl LEU A 547 5 .430 67, .181 56, .224 1, .00 55. .19

4267 CD2 LEU A 547 3 .258 67, .978 55 .283 1, .00 53. .24

4268 C LEU A 547 5 .253 68, .266 51 .340 1, .00 62. .35

4269 O LEU A 547 5 .718 67, .145 51 .116 1, .00 63. .33

4270 N SER A 548 5 .267 69 .253 50 .449 1, .00 61. .45

4271 CA SER A 548 5 .853 69 .109 49 .121 1, .00 60, .04

4272 CB SER A 548 5 .768 70 .443 48 .372 1, .00 61. .76

4273 OG SER A 548 6 .361 70, .351 47 .090 1, .00 63. .29

4274 C SER A 548 5 .175 68, .013 48 .298 1, .00 56. .94

4275 O SER A 548 5 .847 67 .166 47 .707 1, .00 57. .08

4276 N GLY A 549 3 .845 68 .036 48 .265 1, .00 52, .97

4277 CA GLY A 549 3 .098 67 .045 47 .508 1, .00 47, .62

4278 C GLY A 549 3 .377 65 .615 47 .933 1, .00 43 , .79 44227799 OO GLY A 549 3 .088 64, .674 47 .199 1, .00 42. .48

4280 N TRP A 550 3 .947 65, .457 49, .122 1, .00 40. .67

4281 CA TRP A 550 4 , .268 64, .140 49, .667 1, .00 37. .43

4282 CB TRP A 550 4, .674 64, .276 51, .136 1. .00 37. .87

4283 CG TRP A 550 3, .529 64, .504 52, .072 1, .00 37. .34 4284 CD2 TRP A 550 3, .523 64, .269 53, .484 1. .00 37. .15

4285 CE2 TRP A 550 2, .238 64, .617 53, .960 1, .00 37. .22

4286 CE3 TRP A 550 4 , .478 63, .797 54, .394 1, .00 37. .09

4287 CDl TRP A 550 2, .286 64 , .978 51, .757 1, .00 37. .11

4288 NEl TRP A 550 1, .504 65, .046 52, .884 1. .00 36. .31 4289 CZ2 TRP A 550 1, .881 64 , .506 55, .310 1. .00 37. .42

4290 CZ3 TRP A 550 4, .126 63, .687 55, .737 1, .00 38. .39

4291 CH2 TRP A 550 2, .836 64 , .040 56, .182 1. .00 39. .25 4292 C TRP A 550 -5..379 63..413 48..912 1..00 35..55

4293 0 TRP A 550 -5. .346 62. .184 48. .767 1. .00 33. .36

4294 N PHE A 551 -6. .360 64. .168 48. .432 1. .00 31. .38

4295 CA PHE A 551 -7. .475 63. .558 47. .728 1. .00 31. .71

4296 CB PHE A 551 -8. .750 63. .723 48. .548 1. .00 31. .42

4297 CG PHE A 551 -8. .577 63. .351 49. .986 1. .00 32. .56

4298 CDl PHE A 551 -8, .264 64. .318 50. .934 1. .00 34 , .27

4299 CD2 PHE A 551 -8, .672 62. .023 50. .386 1. .00 32, .56

4300 CEl PHE A 551 -8. .050 63. .966 52, .263 1, .00 34 , .45

4301 CE2 PHE A 551 -8. .460 61. .661 51, .709 1. .00 33. .15

4302 CZ PHE A 551 -8, .147 62. .632 52, .650 1. .00 35, .31

4303 C PHE A 551 -7. .673 64. .101 46, .330 1. .00 30, .49

4304 0 PHE A 551 -8. .655 64. .783 46, .035 1. .00 31, .15

4305 N VAL A 552 -6, .726 63. .776 45, .466 1, .00 29, .91

4306 CA VAL A 552 -6. .780 64, .212 44 , .086 1, .00 29, .28

4307 CB VAL A 552 -5 .492 64, .958 43, .696 1. .00 29, .44

4308 CGI VAL A 552 -5. .562 65, .392 42, .246 1, .00 28, .63

4309 CG2 VAL A 552 -5 .301 66, .154 44, .607 1, .00 31, .27

4310 C VAL A 552 -6 .930 62, .994 43, .189 1. .00 27, .84

4311 0 VAL A 552 -7. .801 62, .958 42, .317 1. .00 30, .42

4312 N ALA A 553 -6 .082 61, .996 43, .414 1. .00 26, .84

4313 CA ALA A 553 -6 .111 60, .785 42, .605 1, .00 24, .73

4314 CB ALA A 553 -5 .268 60, .987 41 .356 1, .00 25, .21

4315 C ALA A 553 -5 .618 59, .561 43 .356 1. .00 22, .59

4316 0 ALA A 553 -5, .093 59, .667 44 .464 1, .00 24 , .86

4317 N GLY A 554 -5 .792 58, .398 42, .735 1, .00 22. .06

4318 CA GLY A 554 -5 .343 57, .155 43, .339 1, .00 22, .58

4319 C GLY A 554 -3. .976 56, .803 42, .785 1, .00 21, .13

4320 0 GLY A 554 -3. .699 57, .079 41, .616 1, .00 21, .49

4321 N TYR A 555 -3, .120 56, .204 43, .609 1. .00 20, .86

4322 CA TYR A 555 -1. .780 55, .837 43, .162 1, .00 21, .46

4323 CB TYR A 555 -0. .751 56, .857 43, .666 1, .00 22, .13

4324 CG TYR A 555 -0. .991 58, .275 43, .204 1. .00 22, .87

4325 CDl TYR A 555 ^■1.771 59.153 43.955 1.00 24.60

4326 CEl TYR A 555 ^■1.981 60.466 43.537 1.00 23.03

4327 CD2 TYR A 555 ^■0.427 58.745 42.016 1.00 22.58

4328 CE2 TYR A 555 ^■0.632 60.054 41.588 1.00 23.54 4329 CZ TYR A 555 ^■ 1 . 405 60 . 907 42 . 351 1.00 23.77

4330 OH TYR A 555 ^■ 1 . 589 62 . 208 4 1 . 943 1.00 23.24

4331 C TYR A 555 -1.361 54 . 446 43.633 1.00 22.80

4332 O TYR A 555 ■0.177 54.111 43.604 1.00 22.41

4333 N SER A 556 ^■2.324 53.638 44.066 1.00 23.11

4334 CA SER A 556 ^■2.008 52.299 44.550 1.00 25.54

4335 CB SER A 556 ^■3.294 51.518 44.838 1.00 28.05

4336 OG SER A 556 ^■2.994 50.291 45.481 1. .00 34. .22

4337 C SER A 556 ^■1.146 51.537 43.546 1. .00 23. .29

4338 0 SER A 556 ^■1.526 51.374 42.385 1. .00 24. .99

4339 N GLY A 557 0.015 51.072 44.007 1. .00 23. .92

4340 CA GLY A 557 00..993355 50.346 43.151 1. .00 20. .99

4341 C GLY A 557 1.794 51.277 42.302 1. .00 23. .80

4342 O GLY A 557 2.684 50.826 41.576 1. .00 22, .26

4343 N GLY A 558 1 .540 52, .579 42, .412 1. .00 22, .59

4344 CA GLY A 558 2 .266 53, .561 41 .621 1. .00 24, .36

4345 C GLY A 558 3 .609 54, .077 42 .116 1. .00 24 , .71

4346 O GLY A 558 4 .172 54, .976 41 .497 1. .00 25, .20

4347 N ASP A 559 4 .122 53, .535 43, .219 1, .00 25, .59

4348 CA ASP A 559 5 .420 53, .955 43 .755 1. .00 26, .19

4349 CB ASP A 559 6 .537 53, .452 42 .830 1. .00 26, .10

4350 CG ASP A 559 7 .933 53, .685 43, .399 1. .00 26, .70

4351 ODl ASP A 559 8 .125 53, .482 44 .616 1. .00 27. .71

4352 OD2 ASP A 559 8 .841 54, .049 42 .619 1. .00 28. .83

4353 C ASP A 559 5 .513 55, .475 43, .915 1. .00 26, .10 4354 O ASP A 559 6 .494 56, .098 43, .494 1. .00 25, .18 4355 N ILE A 560 4 .493 56, .056 44 , .545 1. .00 26, .19 4356 CA ILE A 560 4, .401 57, .499 44, .766 1. .00 26, .74 4357 CB ILE A 560 3 .019 58, .030 44 , .298 1. .00 24 , .77

4358 CG2 ILE A 560 2.878 59.513 44.629 1.00 24.77

4359 CGI ILE A 560 2.858 57.804 42.795 1.00 23.61

4360 CDl ILE A 560 3.901 58.514 41.958 1.00 22.98

4361 C ILE A 560 4.605 57.951 46.218 1.00 28.88

4362 O ILE A 560 4.022 57.390 47.153 1.00 28.53

4363 N TYR A 561 5.423 58.986 46.384 1.00 32.37

4364 CA TYR A 561 5.722 59.569 47.690 1.00 35.23

4365 CB TYR A 561 7.194 59.340 48.050 1.00 36.28 4366 CG TYR A 561 7.610 59.932 49.380 1.00 38.42

4367 CDl TYR A 561 7.340 59.268 50.576 1.00 38.81

4368 CEl TYR A 561 7.707 59.815 51.803 1.00 40.72

4369 CD2 TYR A 561 8.261 61.166 49.443 1.00 40.66

4370 CE2 TYR A 561 8.631 61.726 50.664 1.00 41.34

4371 CZ TYR A 561 8.352 61.045 51.841 1.00 43.15 4372 OH TYR A 561 8.713 61.589 53.054 1.00 44.50 4373 C TYR A 561 5.442 61.072 47.614 1.00 37.06 4374 0 TYR A 561 6.029 61.781 46.791 1.00 37.05 4375 N HIS A 562 4.537 61.554 48.459 1.00 37.88 4376 CA HIS A 562 4.194 62.968 48.479 1.00 42.76 4377 CB HIS A 562 2.671 63.142 48.416 1. .00 40. .70

4378 CG HIS A 562 2.096 62.958 47.043 1. .00 41. .07

4379 CD2 HIS A 562 2.691 62.904 45.827 1. .00 39. .30

4380 NDl HIS A 562 0.741 62.857 46.811 1, .00 41. .12 4381 CEl HIS A 562 0.526 62.751 45.511 1, .00 41. .00

4382 NE2 HIS A 562 1.692 62.777 44.892 1, .00 39. .03

4383 C HIS A 562 4.756 63.650 49.725 1 , .00 46. .63

4384 O HIS A 562 4.272 63.435 50.835 1. .00 46. .04 4385 N SER A 563 5.786 64.470 49.526 1. .00 51. .74

4386 CA SER A 563 6.441 65.191 50.616 1. .00 56, .40

4387 CB SER A 563 7.773 65.774 50.134 1, .00 56. .56

4388 OG SER A 563 8.617 64.762 49.611 1, .00 59. .34

4389 C SER A 563 5.563 66.316 51.154 1. .00 58. .87

4390 0 SER A 563 5.982 66.968 52.138 1, .00 61. .44

4391 OXT SER A 563 4.473 66.537 50.583 1. .00 59. .64

4392 O HOH W 2 -6.792 51.965 42.551 1. .00 15. .33

4393 O HOH -6.547 48.207 56.924 1. .00 16. .11 4394 O HOH ^■17.576 48.697 62.239 1. .00 18. .22 4395 O HOH W 6.316 44.357 30.730 1. .00 16. .79 4396 O HOH W 13.736 46.250 30.179 1. .00 24. .14 4397 O HOH W -1.330 53.329 40.151 1, .00 19. .06

4398 O HOH W -1.622 52.148 28.275 1. .00 19. .99

4399 O HOH W -9.901 50.249 28.296 1. .00 20. .63

4400 O HOH W 10 5.368 44.115 25.761 1. .00 22. .05

4401 O HOH W 11 -0.471 47.462 32.890 1. .00 19. .79

4402 O HOH W 12 -4.520 49.520 61.065 1. .00 27. .51 4403 0 HOH W 13 -13..534 57..838 47..591 1..00 23..67

4404 0 HOH W 15 -17. .429 45. .811 73 , .076 1. .00 21, .26

4405 0 HOH W 16 -11 .655 44 , .677 33 , .166 1, .00 21, .17

4406 0 HOH W 17 -12 .057 61. .579 68, .938 1, .00 24, .07

4407 0 HOH W 18 -6 .807 56, .708 39. .511 1. .00 21. .26

4408 0 HOH W 19 -2. .615 55, .785 38. .169 1. .00 19. .58

4409 0 HOH W 20 -14. .253 42. .056 73. .661 1. .00 24. .58

4410 0 HOH W 21 -14, .506 58. .039 58. .232 1. .00 18. .18

4411 0 HOH W 22 0, .802 51. .769 46. .545 1. .00 28. .22

4412 0 HOH W 23 -32, .846 50, .866 37. .584 1. .00 31. .69

4413 0 HOH W 24 11, .601 44. .794 38, .395 1. .00 23. .70

4414 0 HOH W 25 0, .545 38, .869 23, .069 1, .00 21. .74

4415 0 HOH W 26 -1. .352 50, .143 32, .779 1. .00 22. .18

4416 0 HOH W 27 -22, .347 50, .262 59, .864 1. .00 24. .15

4417 0 HOH 28 9 .518 32 .157 28 .514 1 .00 26. .05

4418 0 HOH W 29 -32, .113 39 .770 32 .960 1 .00 45, .32

4419 0 HOH W 30 -12 .114 44 .199 58 .201 1 .00 19, .77

4420 0 HOH W 31 -10 .606 42 .775 41 .495 1 .00 23, .26

4421 0 HOH W 32 -4 , .324 57 .879 38 .991 1 .00 28, .64

4422 0 HOH W 33 -6, .448 55 .071 51 .587 1 .00 26, .18

4423 0 HOH w 35 -18 .170 53 .632 64 .049 1 .00 22, .81

4424 0 HOH w 36 -2, .965 39 .203 42 .800 1. .00 26, .14

4425 0 HOH w 37 -22. .723 52, .477 52 .148 1. .00 19, .89

4426 0 HOH w 38 -1. .785 39, .447 50, .034 1, .00 26. .99

4427 0 HOH w 39 13. .211 46, .277 26, .995 1, .00 23. .01

4428 0 HOH w 40 -20, .457 52, .318 50, .405 1, .00 24. .32

4429 0 HOH w 41 -22. .860 55, .215 70, .907 1, .00 25. .79

4430 0 HOH w 42 -12. .127 61, .722 66, .041 1, .00 22. .22

4431 0 HOH w 43 -12 .945 63 .246 55 .349 1 .00 27, .41

4432 0 HOH w 44 -4. .180 38 .085 49 .952 1 .00 25, .01

4433 0 HOH w 45 12, .168 28, .482 40, .917 1. .00 31, .07

4434 0 HOH w 46 -5, .075 40, .448 25 .332 1, .00 23 , .74

4435 0 HOH w 47 -17, .334 55, .586 75, .664 1. .00 26 , .55

4436 0 HOH 48 -0, .202 35. .413 28, .889 1. .00 25. .88

4437 0 HOH w 49 -18, .658 59, .272 29, .747 1, .00 47. .21

4438 0 HOH w 50 -17, .929 53, .466 50, .514 1, .00 23. .20

4439 0 HOH w 51 -13 , .228 63 , .418 71, .548 1. .00 25. .22 4440 0 HOH W 52 -2..652 52..110 31..092 1..00 21..89

4441 0 HOH W 53 -22. .319 45. .536 49. .211 1. ,00 26. .68

4442 0 HOH W 54 -6. .507 41. .918 23. .612 1. .00 26. .08

4443 0 HOH W 55 -20. .497 66. .892 54. .158 1. .00 48. .49

4444 0 HOH W 56 -18. .013 63. .774 73. .636 1. .00 24. .27

4445 0 HOH W 57 -19, .754 65. .482 37. .040 1. .00 36. .33

4446 0 HOH W 58 7, .949 33. .597 29. .955 1. .00 24. .78

4447 0 HOH W 59 -22, .486 58. .368 36. .912 1. .00 31. .24

4448 0 HOH W 60 -27, .161 56. .312 65. .203 1. .00 30, .34

4449 0 HOH 61 5, .962 29, .409 29, .456 1. .00 30, .81

4450 0 HOH W 62 -1, .209 29, .689 30, .994 1. .00 23, .42

4451 0 HOH W 63 -4, .850 44 , .443 51, .586 1. .00 31, .13

4452 0 HOH W 64 -16, .553 46, .359 56, .003 1. .00 28, .47

4453 0 HOH W 65 -20, .476 68, .638 67, .215 1. .00 30, .77

4454 0 HOH W 66 9, .837 36, .511 43, .144 1, .00 25, .47

4455 0 HOH W 67 1, .182 28, .653 31, .657 1. .00 25, .98

4456 0 HOH 68 13, .573 48, .160 41 .180 1. .00 22, .35

4457 0 HOH W 70 -16, .776 43, .221 72 .647 1. .00 26, .14

4458 0 HOH W 71 8, .878 39, .840 22 .356 1. .00 30, .46

4459 0 HOH W 72 -17, .655 48, .547 45 .341 1, .00 28 .31

4460 0 HOH W 73 -6, .217 53, .201 47 .095 1, .00 25 .40

4461 0 HOH W 74 -14, .356 61, .868 83 .743 1, .00 34, .17

4462 0 HOH W 75 14, .524 50, .065 29 .804 1. .00 36, .74

4463 0 HOH w 76 -16, .254 53, .231 44 .504 1, .00 24, .16

4464 0 HOH 77 -21. .236 64, .052 79 .979 1, .00 51, .42

4465 0 HOH w 78 -15. .493 45, .757 39 .818 1. .00 25, .80

4466 0 HOH w 79 -17. .253 71, .097 72 .439 1, .00 47, .76

4467 0 HOH w 80 -12. .252 49. .507 82 .532 1, .00 27, .55

4468 0 HOH w 81 5, .279 50, .969 40 .589 1. .00 22, .30

4469 0 HOH w 82 12. .231 44, .978 19 .493 1, .00 28, .61

4470 0 HOH w 83 -29. .644 39, .680 40 .165 1. .00 40, .64

4471 0 HOH w 84 -18, .354 47, .312 76 .067 1. .00 26, .35

4472 0 HOH w 85 5, .217 30, .073 43 .018 1. .00 26 .99

4473 0 HOH w 86 -17, .841 62, .005 71 .307 1. .00 28, .53

4474 0 HOH w 87 -1, .432 42, .080 21 .557 1. .00 28. .65

4475 0 HOH w 88 -22. .019 37, .346 29 .265 1. .00 34 , .05

4476 0 HOH w 89 -23. .093 54 , .537 63 .468 1, .00 22, .42 4477 0 HOH W 90 -19.155 60..633 77,.712 1..00 40.75

4478 0 HOH W 91 2, .193 31, .338 54, .220 1. .00 33 .72

4479 0 HOH W 92 5 .766 55, .617 39 .251 1. .00 26 .61

4480 0 HOH W 93 -31 .693 46. .003 50, .850 1. .00 41 .42

4481 0 HOH W 94 -5, .561 54. .193 54 .613 1. .00 46 .48

4482 0 HOH W 95 -7, .089 73. .126 45 .568 1. .00 62 .52

4483 0 HOH W 96 -16 .637 56. .812 84. .766 1. .00 30 .98

4484 0 HOH W 97 -7, .173 51. .459 20 .264 1, .00 43 .14

4485 0 HOH W 98 2, .084 54. .896 45, .222 1. .00 28 .29

4486 0 HOH W 99 -23 .954 0, .093 59 .910 1, .00 64 .30

4487 0 HOH W 100 1 .750 63. .318 32 .389 1, .00 30 .47

4488 0 HOH W 101 -1 .958 54, .019 79 .166 1, .00 36 .27

4489 0 HOH W 102 -9 .470 29, .822 31 .235 1, .00 34 .60

4490 0 HOH 103 -3 .920 40, .528 21 .235 1. .00 53 .03

4491 0 HOH W 104 -38. .098 36, .073 41 .359 1. .00 24 .99

4492 0 HOH W 105 7 .672 36, .901 46 .583 1. .00 23 .77

4493 0 HOH W 106 8 .257 66, .298 42 .587 1. .00 36, .47

4494 0 HOH 107 -13 .237 74 , .110 62 .021 1. .00 40, .41

4495 0 HOH W 108 1 .405 70, .099 26 .876 1, .00 46, .42

4496 0 HOH W 109 -15 .566 48, .752 83 .161 1. .00 43, .76

4497 0 HOH 110 -4 .113 62, .261 45 .979 1. .00 33, .77

4498 0 HOH w 111 -10, .385 50. .927 54 .270 1. .00 25, .04

4499 0 HOH w 112 8 .280 64. .937 79, .902 1. .00 65, .97

4500 0 HOH 113 -20. .522 64. .099 57, .341 1. .00 34, .82

4501 0 HOH w 115 -17, .152 63. .955 61, .295 1. .00 36, .12

4502 0 HOH 116 -5, .242 43. .663 77, .557 1. .00 40, .38

4503 0 HOH w 117 -10, .927 66. .515 76, .649 1. .00 27, .74

4504 0 HOH w 118 -9, .443 53. .401 21, .017 1. .00 33, .11

4505 0 HOH w 119 -7. .996 46. .918 53, .605 1. .00 60, .24

4506 0 HOH w 120 -13 , .147 55, .557 19, .731 1. .00 37. .82

4507 0 HOH w 121 -0. .672 44 , .321 56. .210 1. .00 24. .24

4508 0 HOH 122 -3. .145 49, .226 74. .770 1. .00 34 , .33

4509 0 HOH 123 -8, .748 50. .773 44. .443 1. .00 56, .53

4510 0 HOH w 124 10, .717 24. .722 40. .537 1. .00 57, .47

4511 0 HOH w 125 -17, .974 42. .454 18. .219 1. .00 57. .39

4512 0 HOH w 126 -15. .793 42. .777 19. .797 1. .00 33 , .00

4513 0 HOH w 127 -9. .218 64. .759 40. .849 1. .00 33. .80 4514 0 HOH 128 -29..536 63..160 70..102 1..00 56..25

4515 0 HOH W 129 -42. .109 44. .849 39. .798 1. .00 36. .71

4516 0 HOH 130 -8. .670 35. .606 55. .899 1. .00 33. .00

4517 0 HOH W 131 10. .334 55. .855 41. .110 1. .00 23. .13

4518 0 HOH 132 -4. .571 45. .449 20. .473 1. .00 26. .80

4519 0 HOH W 133 -16. .249 66. .221 39. .752 1. .00 48. .57

4520 0 HOH 134 -24. .291 44. .687 63. .177 1. .00 30. .96

4521 0 HOH 135 4. .467 70. .675 71. .864 1. .00 40. .25

4522 0 HOH w 136 -22. .789 57, .492 72 .787 1. .00 36, .77

4523 0 HOH 137 2, .821 62, .564 83 .572 1 , .00 34. .86

4524 0 HOH w 138 -26. .414 51, .911 20 .619 1, .00 53, .47

4525 0 HOH w 139 -15. .547 72. .180 61 .829 1, .00 35, .86

4526 0 HOH w 140 3. .933 63. .980 33 .783 1, .00 32, .93

4527 0 HOH w 141 -15. .265 47 .060 48 .705 1, .00 30, .10

4528 0 HOH w 142 -25, .938 49 .942 61 .894 1, .00 35, .83

4529 0 HOH w 143 -21, .878 45 .180 17 .876 1 , .00 45, .51

4530 0 HOH w 144 -10, .916 46 .793 24 .668 1, .00 29. .46

4531 0 HOH 145 -30, .931 65 .893 62 .318 1, .00 48, .23

4532 0 HOH w 146 -38, .510 48 .722 44 .832 1, .00 27, .00

4533 0 HOH w 147 5, .828 53 .165 38 .573 1, .00 28, .72

4534 0 HOH w 148 5, .044 28 .567 39 .829 1, .00 39, .37

4535 0 HOH w 149 0, .342 47 .857 45 .563 1. .00 65, .60

4536 0 HOH w 150 16, .600 37 .251 46 .251 1, .00 64 , .40

4537 0 HOH w 151 -32, .273 42 .276 47 .176 1, .00 42. .70

4538 0 HOH w 152 -1, .968 69 .206 50 .179 1. .00 59. .55

4539 0 HOH w 153 -3, .276 39 .755 37 .960 1, .00 31. .74

4540 0 HOH w 154 -35, .612 38 .754 38 .395 1. .00 28. .21

4541 0 HOH w 155 8, .140 59, .600 58 .245 1. .00 38. .52

4542 0 HOH w 156 6, .979 41, .833 48, .537 1. .00 49. .04

4543 0 HOH w 157 -2, .465 35. .584 23, .347 1. .00 39. .77

4544 0 HOH w 158 -21, .050 36. .357 34, .405 1. .00 30. .11

4545 0 HOH w 159 -9, .819 73. .689 77, .765 1. .00 40. .39

4546 0 HOH w 160 -2, .121 43, .171 43, .889 1. .00 55. .97

4547 0 HOH w 161 -29, .882 57, .800 54 , .262 1. .00 52. .16

4548 0 HOH w 162 -1, .186 53, .712 56, .056 1. .00 45. .69

4549 0 HOH 163 17 .646 63 .722 49 .144 1. .00 47. .07

4550 0 HOH w 164 5 .765 31 .717 30 .594 1. .00 21. .52 4551 0 HOH W 165 11..088 36..506 32..146 1.,00 27..88

4552 0 HOH W 167 -13 , .477 44. .529 42. .180 1. ,00 75. .52

4553 0 HOH W 168 -3. .298 60. .628 48. .322 1. ,00 29. .66

4554 0 HOH W 169 -11. .769 48. .506 27. .714 1. .00 18. .96

4555 0 HOH W 170 -16, .175 62, .300 57. .931 1. ,00 31. .27

4556 0 HOH W 171 -4 , .326 45, .894 41. .552 1. .00 52. .96

4557 0 HOH W 172 4 , .161 41. .798 25. .483 1. .00 25. .38

4558 0 HOH W 173 18, .752 49, .791 31. .405 1. .00 68. .12

4559 0 HOH W 174 -17, .601 45, .986 47. .567 1. .00 37. .25

4560 0 HOH W 175 -20, .807 43. .099 24. .155 1. .00 35. .92

4561 0 HOH W 176 -3 , .897 52. .631 55. .438 1. .00 51. .87

4562 0 HOH W 177 -5, .161 54 .054 44. .451 1. .00 27. .84

4563 0 HOH W 178 26, .651 58 .534 41, .525 1. .00 44. .27

4564 0 HOH W 179 7, .076 51. .914 46, .460 1. .00 37. .94

4565 0 HOH W 180 -24 .981 46 .673 19, .607 1. .00 49, .24

4566 0 HOH W 181 4 .320 63 .774 66, .154 1, .00 37, .08

4567 0 HOH W 182 -13 .253 66 .800 53, .649 1. .00 31, .59

4568 0 HOH W 183 3 .417 41 .462 56, .622 1, .00 46, .82

4569 0 HOH W 184 -22. .659 53 .682 17, .755 1. .00 68, .04

4570 0 HOH W 185 22 .925 63 .288 33, .353 1, .00 57, .77

4571 0 HOH W 186 -1 .858 47 .381 43, .102 1, .00 44 , .68

4572 0 HOH W 187 -6 .256 75 .129 70, .175 1. .00 60, .35

4573 0 HOH W 188 3 .945 68 .054 73, .164 1. .00 37, .40

4574 0 HOH W 189 -36 .344 49 .391 52, .057 1, .00 40, .59

4575 0 HOH 190 -3 .680 53 .761 50, .803 1, .00 33, .52

4576 0 HOH w 191 -10 .465 53 .847 47, .951 1. .00 56, .65

4577 0 HOH 192 -0 .058 28 .158 51, .900 1, .00 49, .16

4578 0 HOH w 193 15 .852 48 .746 23, .840 1, .00 37, .75

4579 0 HOH w 194 -18 .086 69 .724 61, .885 1, .00 39, .50

4580 0 HOH w 195 15 .469 47 .531 47, .498 1, .00 44 , .77

4581 0 HOH 196 -2 .110 32 .577 53, .105 1. .00 33, .97

4582 0 HOH w 197 -13 .878 36 .115 29, .479 1, .00 61, .86

4583 0 HOH w 198 -24 .905 54 .224 24, .035 1, .00 26, .33

4584 0 HOH w 199 7 .118 61 .416 73, .355 1, .00 31, .02

4585 0 HOH w 200 -6 .573 42 .476 49, .724 1. .00 46, .15

4586 0 HOH w 201 13 .889 51 .969 28, .264 1. .00 27, .55

4587 0 HOH w 202 -25. .422 62 .826 42, .510 1, .00 30, .30 4588 0 HOH W 203 -21.129 59..286 21..490 1,.00 61.11

4589 0 HOH W 204 3, .255 51, .471 44 , .958 1, .00 35. .02

4590 0 HOH W 205 13, .605 45, .723 40. .096 1, .00 35, .67

4591 0 HOH 206 -27, .425 57, .475 26. .668 1. .00 60, .75

4592 0 HOH W 207 -11, .028 48, .893 49. .216 1. .00 44. .17

4593 0 HOH W 208 -8. .455 62. .235 81. .487 1. .00 25. .09

4594 0 HOH W 209 1. .001 48. .114 56. .560 1. .00 49. .51

4595 0 HOH 210 -15, .374 54 , .018 19, .844 1, .00 38. .15

4596 0 HOH W 211 -5, .703 31 .183 24 .643 1 .00 46 .07

4597 0 HOH W 212 -20, .589 41 .970 42 .882 1 .00 32. .03

4598 0 HOH 213 15, .238 50 .847 34, .872 1. .00 34, .48

4599 0 HOH W 214 1, .465 48. .028 17, .062 1. .00 55. .58

4600 0 HOH W 215 -29, .715 42. .896 52, .578 1, .00 46. .39

4601 0 HOH W 216 -10, .380 66. .751 45, .866 1. .00 38. .07

4602 0 HOH W 217 10, .014 39. .031 50, .228 1, .00 42. .96

4603 0 HOH W 219 10, .968 49, .736 18, .024 1. .00 41. .40

4604 0 HOH W 220 -31, .514 60, .002 64 .341 1. .00 52. .43

4605 0 HOH W 221 -19 .986 44 .144 57 .775 1 .00 32 .30

4606 0 HOH W 222 9 .743 32 .940 53 .031 1 .00 41. .32

4607 0 HOH W 223 -22. .558 65 .195 40 .268 1 .00 73, .08

4608 0 HOH W 224 -4 .261 49, .248 55 .432 1 .00 62, .17

4609 0 HOH W 225 -8. .219 63 , .048 38 .103 1. .00 31. .73

4610 0 HOH W 226 -2 , .963 41, .601 39, .903 1, .00 34. .74

4611 0 HOH w 227 -27. .591 43. .773 66, .151 1, .00 53. .39

4612 0 HOH w 228 2. .173 65. .771 59. .901 1. .00 54, .98

4613 0 HOH w 229 0, .236 32, .781 56 .039 1. .00 48. .64

4614 0 HOH w 230 -16 .776 71 .343 69 .060 1 .00 48, .57

4615 0 HOH w 231 -25 .870 46, .416 23 .865 1 .00 53. .52

4616 0 HOH 232 5. .756 68, .858 28 .656 1. .00 37. .97

4617 0 HOH w 233 6, .269 30. .038 36. .885 1. .00 25. .63

4618 0 HOH w 234 20, .345 66. .669 45. .786 1. .00 52. .12

4619 0 HOH w 235 -6, .384 58. .869 20. .489 1. .00 32. .49

4620 0 HOH w 236 -19. .912 50. .529 15, .035 1. .00 51. .06

4621 0 HOH w 237 -9. .821 47. .979 45. .183 1. .00 54. .62

4622 0 HOH w 238 -16. .131 46. .935 43 , .569 1. .00 32. .11

4623 0 HOH w 239 11. .759 62. .786 52 .835 1. .00 51. .16

4624 0 HOH w 240 -19. .846 43. .290 45. .705 1. .00 35. .43 4625 0 HOH W 242 10..706 42..640 20..038 1..00 34..80

4626 0 HOH 243 -31, .273 37. .014 39. .762 1. .00 46. .54

4627 0 HOH 244 -19, .451 65. .549 43. .578 1. .00 30 .51

4628 0 HOH 245 -25, .344 65. .065 53. .154 1. .00 50. .03

4629 0 HOH W 246 -33, .147 37. .986 37. .255 1. .00 44, .70

4630 0 HOH 247 -12, .456 33. .753 67. .827 1. .00 46, .75

4631 0 HOH 248 1, .459 45. .479 53 , .172 1. .00 60, .01

4632 0 HOH 249 -9. .703 39. .087 57. .250 1. .00 31, .19

4633 0 HOH 250 -23, .071 66. .559 58, .716 1. .00 64, .69

4634 0 HOH W 251 -28, .958 53. .180 31, .517 1. .00 47, .89

4635 0 HOH 252 -12, .851 71. .828 58, .737 1. .00 62, .64

4636 0 HOH 253 4 , .799 42. .899 50, .486 1. .00 60, .27

4637 0 HOH 254 -1, .817 72. .748 74 , .700 1. .00 41. .20

4638 0 HOH 255 -6, .307 39. .779 49, .111 1. .00 31, .61

4639 0 HOH 256 -8 .526 50. .294 56 .165 1, .00 34 .41

4640 0 HOH 257 -2 .954 55, .895 20 .006 1. .00 43 .30

4641 0 HOH W 258 -0, .849 71, .765 32 .153 1. .00 57 .46

4642 0 HOH 259 -2 .695 33, .125 25 .162 1, .00 40 .48

4643 0 HOH 260 -1, .665 64, .555 43 .807 1 , .00 58 .77

4644 0 HOH 261 24, .368 55, .310 35 .467 1, .00 44, .23

4645 0 HOH 263 -3, .458 50, .734 78 .412 1. .00 57, .92

4646 0 HOH 264 24, .621 64, .818 43 .911 1. .00 65, .95

4647 0 HOH W 265 -18, .463 63, .433 25 .981 1, .00 41, .45

4648 0 HOH 266 -16, .757 39. .932 63, .516 1, .00 39, .25

4649 0 HOH w 267 21, .353 58. .741 27, .709 1, .00 45, .71

4650 0 HOH w 268 -0, .254 71. .649 61, .423 1. .00 56. .23

4651 0 HOH w 269 14 , .474 67. .003 32, .929 1. .00 41. .61

4652 0 HOH 270 15, .566 65. .462 48, .821 1. .00 53. .31

4653 0 HOH 271 -30 .051 48, .810 25 .873 1. .00 41. .33

4654 0 HOH 272 -19, .467 60, .791 73 .911 1, .00 45. .41

4655 0 HOH 273 -34, .783 51, .883 48 .713 1. .00 39. .90

4656 0 HOH 274 16, .277 51, .450 47 .437 1. .00 40, .24

4657 0 HOH 275 -30, .118 64. .821 47, .084 1. .00 40, .75

4658 0 HOH w 276 -34 , .575 40. .692 44 , .129 1. .00 76, .39

4659 0 HOH 277 5, .717 58. .205 66, .275 1. .00 28, .90

4660 0 HOH 278 -13. .258 65. .637 20, .745 1. .00 59, .63

4661 0 HOH w 280 -3. .193 30. .019 51, .401 1. .00 40, .48 4662 0 HOH W 281 0..827 27..944 47..434 1,.00 55,.08

4663 0 HOH W 282 17. .806 51. .993 22. .220 1. .00 51, .66

4664 0 HOH W 283 -24. .421 44. .882 25. .963 1 , .00 57, .48

4665 0 HOH 284 4. .146 54. .408 48. .026 1. .00 40, .45

4666 0 HOH 285 -22. .978 44. .032 73. .102 1. .00 70, .39

4667 0 HOH W 286 -16. .730 67. .083 47. .091 1, .00 34 .16

4668 0 HOH W 287 13, .332 58. .810 72. .758 1. .00 72 .41

4669 0 HOH W 288 -5, .665 70. .300 31, .933 1 .00 58, .99

4670 0 HOH W 289 -23. .035 41. .305 46. .202 1. .00 49, .77

4671 0 HOH W 290 -38. .152 54. .247 41. .265 1, .00 32. .57

4672 0 HOH W 291 4. .449 50. .540 67. .222 1. .00 52, .32

4673 0 HOH W 292 -8. .730 58. .174 19, .471 1, .00 44 , .22

4674 0 HOH W 293 9. .316 61. .767 70, .907 1. .00 49, .10

4675 0 HOH W 294 9. .161 25. .946 31, .010 1. .00 49, .99

4676 0 HOH W 295 -4. .710 47. .006 51, .830 1. .00 57, .28

4677 0 HOH 296 -9. .161 40. .505 76, .031 1 .00 49, .72

4678 0 HOH W 297 -25. .865 61. .121 38, .554 1, .00 54 , .79

4679 0 HOH W 298 -24. .709 45. .483 46, .580 1 .00 32, .52

4680 0 HOH W 299 -5. .489 28. .631 36, .394 1 .00 43. .29

4681 0 HOH W 301 -5, .870 67. .903 22, .809 1 .00 50. .29

4682 0 HOH W 302 -14. .800 59. .688 14, .584 1 .00 86. .00

4683 0 HOH w 303 -16. .186 69, .760 51, .068 1 .00 44. .82

4684 0 HOH w 304 -0, .948 46, .586 54 , .844 1 .00 52. .63

4685 0 HOH w 305 -18. .810 65, .561 48, .079 1 .00 28. .60

4686 0 HOH w 306 -3, .505 65. .748 83, .458 1 .00 73. .93

4687 0 HOH w 307 -2. .578 70. .677 79, .681 1 .00 53. .99

4688 0 HOH w 308 -7. .228 45. .002 41, .321 1 .00 55. .45

4689 0 HOH w 310 17. .027 61. .704 28, .720 1 .00 97, .88

4690 0 HOH 311 -2, .343 70, .662 67, .300 1 .00 39, .65

4691 0 HOH w 312 -5. .322 72, .333 25, .515 1 .00 66, .16

4692 0 HOH w 313 -13, .086 36, .815 73, .280 1 .00 58, .78

4693 0 HOH w 314 -19, .785 60, .629 34, .891 1 .00 48, .38

4694 0 HOH w 315 7, .910 57, .371 79, .889 1, .00 59, .65

4695 0 HOH w 316 -29, .176 31. .404 37, .498 1 .00 45, .98

4696 0 HOH w 318 -0, .081 35. .025 64 , .497 1 .00 39, .08

4697 0 HOH w 319 -1. .739 50. .313 48. .160 1. .00 61. .95

4698 0 HOH w 321 27. .510 63. .059 33. .879 1. .00 60. .52 4699 0 HOH W 322 -9..826 31..543 68..736 1..00 87.58

4700 0 HOH W 323 -14 , .730 40, .126 75. .325 1, .00 58 .43

4701 0 HOH W 324 -36, .889 50, .461 49. .119 1, .00 53, .49

4702 0 HOH W 325 -19, .427 68, .495 80. .169 1, .00 52, .22

4703 0 HOH W 326 14 , .820 47. .011 32. .997 1, .00 27, .81

4704 0 HOH 327 -16, .292 68. .642 68. .500 1. .00 29, .85

4705 0 HOH W 328 11, .381 55, .685 17. .148 1. .00 54, .28

4706 0 HOH W 329 -6. .633 46, .859 43. .114 1. .00 66, .54

4707 0 HOH W 330 -22 .481 44 .918 52. .968 1. .00 50 .57

4708 0 HOH 331 -23, .699 64, .331 57. .349 1 .00 32 .66

4709 0 HOH W 332 -2 .017 50 .986 20. .507 1. .00 45 .36

4710 0 HOH W 333 -20 .347 52 .783 17. .403 1, .00 57 .51

4711 0 HOH w 334 0 .583 32 .920 52 .619 1, .00 29, .92

4712 0 HOH 335 12 .849 44 .476 36 .055 1. .00 33 .75

4713 0 HOH w 336 22, .941 59 .296 30 .277 1, .00 54 .37

4714 0 HOH w 337 -20, .459 64 .254 54 .382 1. .00 43 .20

4715 0 HOH w 338 12, .639 42 .092 26 .729 1, .00 36, .66

4716 0 HOH w 339 6, .484 65 .739 65 .667 1. .00 48 .30

4717 0 HOH w 340 -27, .787 53 .230 61 .270 1. .00 34 .50

4718 0 HOH w 341 12, .092 47, .081 34 .153 1. .00 24 , .09

4719 0 HOH w 342 -33, .087 65 .852 46 .709 1. .00 62 .68

4720 0 HOH w 343 -23, .952 55 .194 31 .091 1, .00 42, .82

4721 0 HOH w 344 -16, .447 44, .251 80. .364 1. .00 61, .01

4722 0 HOH w 345 -9, .773 67. .109 42, .706 1, .00 56, .57

4723 0 HOH w 346 5, .258 68. .012 40, .473 1. .00 63, .15

4724 0 HOH w 347 12, .924 70. .534 38, .014 1. .00 51, .41

4725 0 HOH w 348 -30, .614 53, .731 29, .407 1. .00 60, .37

4726 0 HOH 349 2, .517 71, .323 62, .918 1. .00 73 , .23

4727 0 HOH w 350 6, .487 30, .486 46, .089 1. .00 83 , .57

4728 0 HOH w 351 7, .347 54 , .920 59. .328 1. .00 37, .05

4729 0 HOH w 352 -14, .884 67, .203 35. .279 1. .00 79. .65

4730 0 HOH w 353 -13, .195 42, .044 20. .858 1. .00 47. .54

4731 0 HOH w 354 -18. .662 42. .025 74. .123 1. .00 43. .30

4732 0 HOH w 355 16. .119 59. .197 51. .104 1. .00 49. .54

4733 0 HOH w 356 -14. .667 64. .380 83. .766 1. .00 43. .39

4734 0 HOH 357 -20. .940 69. .284 46, .925 1. .00 62, .27

4735 0 HOH 359 12. .796 47. .661 16, .499 1. .00 48. .19 4736 0 HOH W 360 -7..638 48..927 41..142 1..00 33..59

4737 0 HOH W 361 6. .166 33. .780 61. .444 1. ,00 71. .86

4738 0 HOH W 362 9. .092 67. .203 23. .984 1. ,00 51. .59

4739 0 HOH W 363 -14. .612 61. .443 20. .683 1. .00 34. .24

4740 0 HOH W 365 -14. .449 37. .818 45. .571 1. .00 66. .29

4741 0 HOH W 366 -3. .624 68. .738 21. .017 1. .00 59. .60

4742 0 HOH W 367 -9. .029 76. .991 69. .667 1. .00 43. .90

4743 0 HOH W 368 5. .867 55. .691 17. .895 1. .00 48. .95

4744 0 HOH W 369 6. .137 60. .764 76. .234 1. .00 47. .71

4745 0 HOH W 370 -0, .006 42. .002 37. .131 1. .00 27. .44

4746 0 HOH W 371 -14 , .498 44 , .432 44. .822 1. .00 61, .65

4747 0 HOH W 372 0. .750 33 , .723 66, .630 1. .00 44. .11

4748 0 HOH W 373 -27. .877 49, .777 20, .866 1. .00 65, .23

4749 0 HOH W 374 -22, .570 70, .476 67, .134 1. .00 54 , .90

4750 0 HOH W 375 -17, .407 34 , .630 36, .952 1. .00 55, .11

4751 0 HOH W 376 -1, .191 66, .802 40, .659 1. .00 42, .79

4752 0 HOH W 377 17, .904 53. .368 48, .648 1, .00 39, .15

4753 0 HOH W 378 -3, .866 42, .074 42, .321 1, .00 60, .19

4754 0 HOH W 379 -19, .960 58, .966 75, .700 1, .00 66, .28

4755 0 HOH w 380 2, .286 42, .711 22 .934 1. .00 26, .32

4756 0 HOH 381 -20, .661 65, .889 46, .050 1. .00 35, .68

4757 0 HOH w 382 23, .710 45. .227 34, .632 1, .00 61, .94

4758 0 HOH w 383 -16, .822 35. .579 68 .862 1, .00 48, .89

4759 0 HOH w 384 5, .515 38. .509 56, .235 1 , .00 40, .86

4760 0 HOH w 385 -17, .048 60. .357 84, .553 1. .00 79, .30

4761 0 HOH w 386 -9, .500 44. .757 53, .688 1. .00 53 , .19

4762 0 HOH w 387 16, .885 56. .018 51, .365 1, .00 57, .85

4763 0 HOH w 388 -12, .615 36, .923 31, .496 1. .00 41, .05

4764 0 HOH w 389 -16, .460 59, .721 57, .173 1. .00 26, .18

4765 0 HOH w 390 -23, .367 63, .569 54, .736 1. .00 44 , .18

4766 0 HOH w 391 -1, .123 74 , .379 23, .315 1. .00 65, .58

4767 0 HOH w 392 -23, .624 43 , .851 45, .206 1, .00 31, .27

4768 0 HOH w 393 -17, .181 44 , .500 45, .276 1. .00 46, .76

4769 0 HOH w 394 -27, .145 39, .264 40, .318 1. .00 39, .42

4770 0 HOH w 395 -7, .174 42, .588 40, .743 1 , .00 42 , .23

4771 0 HOH w 396 -10, .287 39, .019 43, .009 1. .00 53 , .05

4772 0 HOH w 398 5, .777 62, . Ill 18. .982 1 , .00 81, .96 4773 0 HOH W 399 -30,.841 54..222 53..325 1..00 37.31

4774 0 HOH W 400 -4 , .957 38. .020 21. .108 1. .00 32 .27

4775 0 HOH W 401 -40, .672 51. .655 37. .882 1. .00 66 .78

4776 0 HOH W 402 -8, .513 38. .319 24. .703 1. ,00 34. .64

4777 0 HOH W 403 1, .473 54. .797 78. .029 1. .00 29 .97

4778 0 HOH W 404 5, .271 41. .787 32. .953 1. .00 24 .88

4779 0 HOH W 405 -7, .341 66. .029 39. .360 1. .00 44 .57

4780 0 HOH W 406 -8, .410 35. .869 48. .186 1. .00 68. .52

4781 0 HOH W 407 1, .485 60. .107 83, .537 1. .00 51, .54

4782 0 HOH W 408 -5, .098 32. .572 72, .126 1. .00 62 .56

4783 0 HOH W 409 0, .401 45. .612 58, .380 1. .00 42 .51

4784 0 HOH w 410 -4 .297 50. .488 41 .849 1. .00 25 .15

4785 0 HOH w 411 -21, .464 69. .454 56, .921 1. .00 89, .61

4786 0 HOH w 412 -5, .420 34. .996 20 .499 1. .00 55, .37

4787 0 HOH 413 -23 .281 65, .724 46 .325 1. .00 36 .26

4788 0 HOH w 414 -22. .980 57, .224 32 .260 1. .00 65 .09

4789 0 HOH 415 -0, .477 73 , .744 77, .739 1. .00 64, .28

4790 0 HOH w 416 6. .671 24 , .307 39, .221 1. .00 49, .37

4791 0 HOH w 417 22 .934 64, .968 38 .789 1. .00 55 .54

4792 0 HOH w 418 -33 .863 48, .370 37 .471 1. .00 34 .35

4793 0 HOH w 419 2, .245 27, .189 29, .701 1. .00 54, .65

4794 0 HOH w 420 -5. .945 28, .649 44 , .099 1. .00 74, .92

4795 0 HOH w 421 19 .605 54, .873 26 .013 1. .00 64, .72

4796 0 HOH w 422 -10. .486 61, .003 19 .196 1, .00 59 .36

4797 0 HOH w 423 -34 .578 48 .889 35 .158 1, .00 41 .49

4798 0 HOH w 424 10. .498 59, .353 55, .090 1. .00 70, .12

4799 0 HOH w 425 -41, .393 47, .738 44 , .765 1. .00 49, .24

4800 0 HOH w 426 7 .853 37, .969 49, .105 1. .00 42, .28

4801 0 HOH w 427 -7, .196 36, .449 42 .358 1. .00 41 .26

4802 0 HOH w 428 -30, .754 39. .343 42, .788 1. .00 40, .55

4803 0 HOH w 429 -25, .100 51, .540 59, .721 1. .00 21, .99

4804 0 HOH w 430 -34, .347 58, .939 48, .496 1. .00 41, .34

4805 0 HOH 431 -8 .193 27, .865 28, .887 1. .00 55, .94

4806 0 HOH w 432 -18. .694 47. .729 55, .223 1. .00 27. .65

4807 0 HOH w 433 4 , .686 52. .919 66, .948 1. .00 51, .39

4808 0 HOH w 434 -13. .429 31. .921 45, .583 1. .00 60. .04

4809 0 HOH 435 -20, .326 64. .543 72, .419 1. .00 46. .83 4810 0 HOH W 437 -20..238 53..850 71..884 1 ,.00 55..86

4811 0 HOH W 438 5, .311 65. .757 73. .189 1. .00 48, .94

4812 0 HOH W 439 -1. .580 68. .697 68. .632 1. .00 39, .29

4813 0 HOH W 440 -9, .170 55. .805 83. .681 1. .00 30, .24

4814 0 HOH W 441 4 , .751 64. .023 82. .964 1, .00 59, .78

4815 0 HOH W 442 7, .177 64. .358 46. .866 1 , .00 37, .90

4816 0 HOH W 443 -33 .814 49. .919 55. .598 1. .00 38, .79

4817 0 HOH W 444 -13, .241 41, .959 57. .295 1, .00 38, .00

4818 0 HOH W 445 -1, .453 32, .612 62. .191 1. .00 47, .05

4819 0 HOH W 446 1, .140 41, .980 25. .583 1, .00 33, .67

4820 0 HOH W 447 -9, .800 49, .936 81. .373 1. .00 30, .07

4821 0 HOH W 448 -1 .987 42, .008 70. .058 1, .00 50. .37

4822 0 HOH W 449 15, .827 49, .479 32. .506 1. .00 30. .54

4823 0 HOH W 450 -18 .373 58, .553 82, .471 1, .00 12, .30

4824 0 HOH W 451 8 .080 44, .796 46, .494 1, .00 61, .29

4825 0 HOH W 452 -0 .425 41, .413 39 .693 1, .00 35, .66

4826 0 HOH 453 4 .778 48, .632 18 .721 1, .00 46, .39

4827 0 HOH 454 16 .938 48, .017 28 .391 1, .00 60, .23

4828 0 HOH W 455 -30, .083 54, .456 60, .747 1 .00 49, .95

4829 0 HOH 456 -24 .826 44, .945 49, .330 1, .00 51, .74

4830 0 HOH W 457 -33 .313 46 .487 52, .855 1. .00 47, .51

4831 0 HOH 458 -32 .322 53, .167 57, .591 1. .00 54 , .88

4832 0 HOH w 459 -2 .661 38, .529 22 .267 1 .00 42, .14

4833 0 HOH 460 -1 .380 28, .739 28, .528 1, .00 41 , .10

4834 0 HOH w 461 -27 .516 39, .959 28, .374 1, .00 35, .01

4835 0 HOH w 462 -0 .372 48, .630 18, .712 1, .00 28. .69

4836 0 HOH w 463 3, .179 66, .734 27, .928 1, .00 39. .49

4837 0 HOH w 464 15, .148 46, .019 43, .716 1, .00 40. .93

4838 0 HOH w 465 -24, .669 65, .253 44 , .122 1, .00 43. .16

4839 0 HOH w 467 -24, .917 48, .114 21, .924 1, .00 44. .04

4840 0 HOH w 468 -1, .492 73, .405 67, .203 1. .00 43. .44

4841 0 HOH w 469 15, .456 45. .099 34 , .553 1, .00 35. .58

4842 0 HOH w 470 6, .303 68, .157 78, .126 1 , .00 43. .51

4843 0 HOH w 471 -20, .877 61, .399 79, .540 1. .00 39. .49

4844 0 HOH w 472 13, .821 53, .534 53 , .765 1, .00 49. .04

4845 0 HOH w 473 -0, .788 61, .062 19. .199 1. .00 51. .79

4846 0 HOH w 474 -28. .800 62. .010 38. .229 1. .00 55. .32 4847 0 HOH W 475 -18..365 67..043 52..660 1..00 43,.43

4848 0 HOH W 476 13. .537 34. .603 52. .385 1. .00 43, .45

4849 0 HOH W 478 -19. .399 44. .299 17. .410 1. .00 51, .77

4850 0 HOH W 479 -7. .334 74. .431 72. .420 1. .00 48, .43

4851 0 HOH W 480 -34. .941 59. .718 39. .697 1. .00 44 , .53

4852 0 HOH W 481 -13. .273 38. .125 18. .675 1. .00 46, .98

4853 0 HOH W 483 2. .843 48. .581 45. .495 1. .00 46, .65

4854 0 HOH 484 -1. .588 46. .511 51. .834 1. .00 47, .47

4855 0 HOH W 485 -10. .250 40. .194 54. .639 1. .00 51, .50

4856 0 HOH W 486 -12. .219 39. .596 58. .009 1. .00 44, .21

4857 0 HOH W 487 -18. .858 42. .286 59. .035 1. .00 43, .67

4858 0 HOH W 488 13. .333 27. .000 38. .532 1, .00 38, .50

4859 0 HOH W 489 12, .114 29. .182 47. .127 1. .00 47, .06

4860 0 HOH W 490 -8, .129 69, .456 33. .061 1. .00 47, .36

4861 0 HOH w 491 -17, .784 68, .028 42. .839 1. .00 50, .83

4862 0 HOH w 492 -0, .956 68, .381 21. .608 1. .00 46, .33

4863 0 HOH w 493 -29, .585 53, .057 27, .082 1. .00 53, .62

4864 0 HOH w 494 -42, .700 46, .952 38, .791 1. .00 35 .52

4865 0 HOH w 495 -22, .578 47, .731 56, .052 1. .00 40, .50

4866 0 HOH w 496 -9, .802 50, .219 51, .895 1. .00 48, .72

4867 0 HOH w 497 -9, .244 54, .132 53, .527 1, .00 48, .69

4868 0 HOH w 498 -23, .172 47, .876 59. .572 1, .00 44 .42

4869 0 HOH w 499 -18, .297 63, .164 59. .285 1. .00 50, .58

4870 0 HOH w 500 3, .420 55, .943 79. .936 1, .00 44 .75

4871 0 HOH w 501 3, .999 69, .773 61, .318 1. .00 52 .71

4872 0 HOH w 502 -30, .332 60, .683 70, .005 1, .00 48 .68

4873 0 HOH w 503 -12, .601 74, .076 77, .874 1, .00 47, .18

4874 0 HOH w 504 -8, .426 68, .090 46, .261 1, .00 40 .21

4875 0 HOH w 505 -3, .366 52, .887 21. .463 1. .00 37 .72

4876 0 HOH w 506 -2, .684 28, .136 32, .334 1, .00 41, .62

4877 0 HOH w 507 -7, .754 29, .554 24 , .333 1. .00 46, .73

4878 0 HOH w 508 -11, .617 33, .400 20, .029 1. .00 52, .54

4879 0 HOH w 509 4 , .203 29 .590 27, .022 1, .00 44 , .04

4880 0 HOH w 510 8, .287 27 .994 29, .332 1 , .00 50 .06

4881 0 HOH w 511 11, .614 25, .427 38, .302 1 , .00 39 .81

4882 0 HOH w 512 1, .572 28, .519 54 , .055 1, .00 51, .88

4883 0 HOH w 513 -16, .220 37, .254 28, .329 1 , .00 40. .21 4884 0 HOH W 514 15..717 67,.502 36..535 1..00 42..77

4885 0 HOH 515 22. .057 47, .466 41, .848 1. .00 48. .39

4886 0 HOH W 516 23, .147 61, .880 30. .870 1. .00 51, .02

4887 0 HOH W 517 -34. .166 43 , .434 43. .666 1. .00 50, .13

4888 0 HOH W 518 11. .759 40, .945 21. .577 1. .00 50, .05

4889 0 HOH w 519 16, .815 43, .213 33. .507 1. .00 47. .09

4890 0 HOH w 520 16, .391 40, .464 35, .597 1. .00 49. .84

4891 0 HOH w 521 -4 , .472 48. .037 42, .544 1. .00 50. .24

4892 0 HOH w 522 -5, .021 45, .354 74 , .737 1. .00 29. .75

4893 0 HOH w 523 -1, .279 37, .448 71, .232 1. .00 52, .86

4894 0 HOH w 524 -6, .533 61, .002 38 .846 1. .00 47, .74

4895 0 HOH w 525 -10, .846 66, .946 48 .328 1. .00 40, .61

4896 0 HOH w 526 -14, .532 69, .765 56 .533 1, .00 56, .07

4897 0 HOH w 527 -29, .119 55 .551 55 .146 1. .00 51, .97

4898 0 HOH w 528 -27, .803 63 .675 42 .699 1, .00 47, .61

4899 0 HOH w 529 -34, .715 48 .294 53 .867 1. .00 47, .27

4900 0 HOH w 530 -8, .715 40, .403 21 .731 1. .00 46, .17

4901 0 HOH w 531 -18, .080 69 .077 73 .485 1. .00 50, .86

4902 0 HOH 532 -19 .804 46 .552 73 .938 1 .00 45, .76

4903 Cl GOL c 600 8 .883 49 .199 44 .447 1 .00 39, .35

4904 Ol GOL C 600 9.442 48.875 45.703 1.00 41.68

4905 C2 GOL C 600 7.439 48.687 44.290 1.00 41.56

4906 02 GOL C 600 6.601 49.272 45.273 1.00 43.83

4907 C3 GOL C 600 6.897 49.227 42.981 1.00 39.94

4908 03 GOL C 600 5.483 49.194 42.958 1.00 46.50

4909 Cl GOL C 601 13.968 63.471 29.601 1.00 44.65

4910 Ol GOL C 601 15.306 63.409 30.075 1.00 49.37 4911 C2 GOL C 601 13.323 64.447 30.556 1.00 44.84 4912 02 GOL C 601 14.175 65.557 30.390 1.00 45.12 4913 C3 GOL C 601 11.874 64.869 30.243 1.00 43.96 4914 03 GOL C 601 11.324 65.482 31.404 1.00 44.22 4915 Cl GOL C 602 -11.992 54.311 51.800 1.00 43.77 4916 01 GOL C 602 -13.145 53.513 51.556 1.00 46.76 4917 C2 GOL C 602 -12.029 55.539 50.890 1.00 43.65 4918 02 GOL C 602 ^■ 12 . 576 55 . 240 49 . 621 1.00 41.71 4919 C3 GOL C 602 -12.796 56.664 51.575 1.00 42.54

4920 03 GOL C 602 -12.953 57.798 50.752 1.00 44.56 4921 Cl GOL C 603 3..571 45..503 19..886 1..00 33..62

4922 01 GOL C 603 2. .949 46. .770 19. .743 1. .00 36. .95

4923 C2 GOL C 603 4. .270 45. .419 21. .263 1. .00 34. .85

4924 02 GOL C 603 3. .373 45. .069 22. .303 1. .00 32. .49

4925 C3 GOL C 603 5. .400 44. .417 21. .212 1. .00 33. .00

4926 03 GOL C 603 5. .981 44. .278 22. .478 1. .00 33. .69

4927 Cl GOL C 604 -37. .207 46. .232 49. .788 1. .00 45, .53

4928 Ol GOL C 604 -36. .931 44. .848 49. .690 1. .00 51, .92 4929 C2 GOL C 604 -37, .904 46. .550 48. .481 1. .00 45 .82 4930 02 GOL C 604 -39, .273 46. .252 48 .686 1. .00 45 .88

4931 C3 GOL C 604 -37, .617 47. .998 48 .060 1. .00 44 .77

4932 03 GOL C 604 -38, .677 48 .588 47 .349 1. .00 51 .80

4933 Cl GOL C 605 -17, .089 58, .040 71 .069 1. .00 39 .23

4934 Ol GOL C 605 -16, .122 57 .286 70 .415 1, .00 32 .33

4935 C2 GOL C 605 -18, .244 57 .216 71 .653 1, .00 43 .37

4936 02 GOL C 605 -17, .923 56 .641 72 .906 1. .00 46 .72

4937 C3 GOL C 605 -19, .329 58 .209 72 .054 1, .00 45 .91

4938 03 GOL C 605 -20, .438 57 .470 72 .491 1. .00 49 .42

4939 CL-1 CLl B 1 -28, .806 49 .894 63 .190 0. .50 10 .37

TABLE 2: Structure Coordinates of Hepatitis C Virus Polymerase/ PHA-562769 Complex 1 CB MET A 0 -10.659 33. .078 22. ,886 1. .00 75. .80 2 CG MET A 0 -12.133 32. .723 22. .740 1. .00 80. .61 3 SD MET A 0 -12.853 32. .081 24. .281 1. .00 87. .77 4 CE MET A 0 -12.681 30. .285 24. .027 1. .00 85. .40 5 C MET A 0 -8.913 34. .421 24. .094 1. .00 68. .13 6 0 MET A 0 -8.085 33. .624 23. .636 1. .00 68. .25 7 N MET A 0 -10.792 35. .552 22. .861 1. .00 70. .69 8 CA MET A 0 -10.391 34. .363 23. .678 1. .00 71. .08 9 N SER A 1 -8.594 35. .359 24. .977 1. .00 62. .38 10 CA SER A 1 -7.230 35. .534 25. .443 1. .00 57. .61 11 CB SER A 1 -6.742 36. .932 25. .059 1 , .00 60. .71 12 OG SER A 1 -7.634 37. .923 25. .540 1, .00 62. .14 13 C SER A 1 -7.101 35. .353 26, .949 1. .00 52. .10 14 0 SER A 1 -7.909 35. .876 27, .706 1. .00 50. .65 15 N MET A 2 -6.080 34. .614 27, .377 1. .00 47, .40 16 CA MET A 2 -5.845 34. .391 28, .802 1, .00 41, .57 17 CB MET A 2 -4.768 33, .331 29, .018 1, .00 40, .22 18 CG MET A 2 -5.184 31, .937 28, .668 1, .00 38, .72 19 SD MET A 2 -6.657 31, .411 29. .573 1. .00 46, .84 20 CE MET A 2 -6.050 31, .238 31. .257 1. .00 36, .89 21 C MET A 2 -5.377 35 .695 29, .411 1, .00 38, .82 22 0 MET A 2 -4.768 36, .501 28, .730 1. .00 38, .60 23 N SER A 3 -5.670 35, .906 30, .687 1. .00 37, .25 24 CA SER A 3 -5.250 37, .125 31, .368 1, .00 38, .14 25 CB SER A 3 -6.033 37, .289 32, .681 1. .00 37, .11 26 OG SER A 3 -6.053 36, .074 33, .425 1, .00 36, .74 27 C SER A 3 -3.743 37, .033 31, .654 1 , .00 39, .68 28 0 SER A 3 -3.019 38, .029 31, .600 1. .00 39, .68 29 N TYR A 4 -3.291 35, .821 31, .959 1 , .00 38, .31 30 CA TYR A 4 -1.895 35, .562 32, .245 1. .00 40, .69 31 CB TYR A 4 -1.587 35, .597 33 , .752 1. .00 40, .69 32 CG TYR A 4 -1.889 36, .867 34 , .484 1. .00 40, .08 33 CDl TYR A 4 -3.124 37, .055 35, .106 1. .00 40, .35 34 CEl TYR A 4 -3.397 38, .216 35, .821 1. .00 41, .04 CD2 TYR A 4 •0.931 37.872 34.587 1.00 40.28 CE2 TYR A 4 •1.186 39.041 35.297 1.00 40.16 CZ TYR A 4 -2.421 39.206 35.914 1.00 40.33 OH TYR A 4 -2.675 40.346 36.625 1.00 39.94 C TYR A 4 -1.511 34.168 31.799 1.00 42.48 O TYR A 4 -2.362 33.272 31.696 1.00 42.06 N THR A 5 -0.215 34.003 31.542 1.00 42.70 CA THR A 5 0.366 32.703 31.232 1.00 43.95 CB THR A 5 1.034 32.636 29.838 1.00 45.53 OGl THR A 5 1.914 33.754 29.659 1.00 48.44 CG2 THR A 5 ^■0.023 32.617 28.746 1.00 46.20

C THR A 5 1.428 32.641 32.321 1.00 43.65

O THR A 5 1.941 33.681 32.750 1.00 43.77

N TRP A 6 1.740 31.451 32.809 1.00 43.27 CA TRP A 6 2.749 31.353 33.848 1.00 43.22 CB TRP A 6 22..009988 3300..994499 35.175 1.00 41.47 CG TRP A 6 1.033 31.939 35.634 1.00 41.86 CD2 TRP A 6 1.248 33.193 36.302 1.00 39.22 CE2 TRP A 6 •0.022 33.780 36.503 1.00 38.58 CE3 TRP A 6 2.389 33.877 36.747 1.00 40.29 CDl TRP A 6 ^■0.329 31.830 35.465 1.00 39.01 NEl TRP A 6 ^■0.958 32.927 35.982 1.00 34.48 CZ2 TRP A 6 0.185 35.025 37.137 1.00 40.46 CZ3 TRP A 6 2.231 35.112 37.374 1.00 40.97 CH2 TRP A 6 0.949 35.673 37.563 1.00 41.80 C TRP A 6 3.846 30.379 33.448 1.00 45.04 O TRP A 6 3.621 29.481 32.635 1.00 47.11 N THR A 7 5.038 30.557 34.011 1.00 44.76 CA THR A 7 6.168 29.690 33.680 1.00 44.12 CB THR A 7 7.456 30.501 33.563 1.00 42.45 OGl THR A 7 7.675 31.217 34.782 1.00 41.30 CG2 THR A 7 7.364 31.473 32.412 1.00 38.98 C THR A 7 6.401 28.594 34.708 1.00 45.93 O THR A 7 6.923 27.521 34.384 1.00 47.00 N GLY A 8 6.006 28.870 35.946 1.00 45.52 CA GLY A 8 6.190 27.918 37.019 1.00 44.84 C GLY A 8 6.962 28.598 38.128 1.00 45.35 72 0 GLY A 8 6.798 28.287 39.302 1.00 47.30 73 N ALA A 9 7.819 29.533 37.747 1.00 45.12 74 CA ALA A 9 8.604 30.271 38.718 1.00 45.31 75 CB ALA A 9 99., .335566 31. .390 38, .029 1. .00 44, .24 76 C ALA A 9 77., .664400 30. .845 39, .749 1. .00 46. .07 77 0 ALA A 9 66., .551166 31. .212 39, .416 1. .00 47. .27 78 N LEU A 10 88., .008822 30. .924 40, .997 1. .00 45, .56 79 CA LEU A 10 77., .225511 31. .451 42, .064 1. .00 45. .49 80 CB LEU A 10 77., .668899 30. .868 43, .401 1, .00 46, .25 81 CG LEU A 10 77., .885577 29. .355 43, .458 11.. .0000 5500., .2255 82 CDl LEU A 10 8 .480 28. .989 44 .794 11.. .0000 5511., .7722 83 CD2 LEU A 10 6, .519 28. .659 43 .254 11.. .0000 4488., .9911 84 C LEU A 10 7, .344 32. .963 42, .164 11.. .0000 4455.. .5566 85 0 LEU A 10 8 .285 33. .568 41 .670 11.. .0000 4477.. .3344 8866 N ILE A 11 6, .353 33. .565 42 .809 1. .00 44. .87 8877 CCAA IILLEE AA 11 6 .349 34 , .998 43 .038 1. .00 44 , .42 88 CB ILE A 11 44..990066 3355...555533 43.105 11.,.0000 4433.,.7777 89 CG2 ILE A 11 44...991188 3377...002288 43.496 11...0000 4422.,.9911 90 CGI ILE A 11 44..224422 35..370 41.738 11.,.0000 4444.,.6688 91 CDl ILE A 11 22..883322 3355...990033 41.644 11...0000 4455.,.7744 92 C ILE A 11 77. .006611 35, .106 44 .385 1. .00 44 .61 93 O ILE A 11 66. .554444 34 , .679 45 .420 1. .00 45, .44 94 N THR A 12 8 .267 35, .659 44 .356 1 .00 44 .49 9955 CCAA TTHHRR AA 12 9 .080 35, .757 45 .552 1, .00 43, .75 9966 CCBB TTHHRR AA 12 10 .520 35. .301 45 .247 1. .00 44, .15 9977 OOGGll TTHHRR AA 12 11 .095 36, .154 44 .246 1. .00 43 .45 9988 CCGG22 TTHHRR AA 12 10 .520 33, .856 44 .734 1. .00 39, .63 9999 CC TTHHRR AA 12 9 .125 37, .127 46 .190 1, .00 45 .57

110000 0O TTHHRR AA 12 8 .893 38, .145 45 .544 1, .00 46, .61

110011 NN PPRROO AA 13 9, .424 37. .168 47 .490 1. .00 46, .98

110022 CCDD PPRROO AA 13 9 .509 36. .031 48 .426 1, .00 46 .39

103 CA PRO A 13 9 .500 38. .431 48 .215 1. .00 49, .04

104 CB PRO A 13 9 .086 38, .024 49 .612 1. .00 48 .71

105 CG PRO A 13 9 .812 36, .715 49 .752 1. .00 45 .41

106 C PRO A 13 10, .921 38. .984 48 .206 1. .00 51, .93

107 0 PRO A 13 11 .880 38. .262 47 .924 1. .00 51 .36

108 N CYS A 14 11, .042 40. .267 48 .517 1. .00 54, .81 109 CA CYS A 14 12,.342 40,.911 48,.612 1..00 59,.73

110 CB CYS A 14 12, .326 42. .272 47, .900 1. .00 63 .22

111 SG CYS A 14 10. .978 43, .382 48, .413 1. .00 74 , .75

112 C CYS A 14 12, .554 41, .069 50, .122 1. .00 59 .16

113 O CYS A 14 13, .221 40 .246 50, .752 1. .00 58 .73

114 N ALA A 15 11. .960 42, .102 50, .708 1. .00 58, .51

115 CA ALA A 15 12, .074 42, .311 52. .144 1. .00 60 .75

116 CB ALA A 15 11. .258 43 , .538 52, .558 1. .00 58, .77

117 C ALA A 15 11. .538 41, .055 52, .844 1. .00 62, .04

118 O ALA A 15 10. .966 40 .172 52 .197 1. .00 63 .55

119 N ALA A 16 11. .734 40, .961 54, .156 1. .00 62, .71

120 CA ALA A 16 11. .233 39, .809 54 .900 1. .00 62, .41

121 CB ALA A 16 1111...994444 3399..669966 56.244 11...0000 6622..4466

122 C ALA A 16 99,..773300 4400,..002211 55.096 11...0000 6622,..1111

123 O ALA A 16 99,..224444 41.152 55.013 11...0000 6611,..6655

124 N GLU A 17 8 . 990 38.947 55.353 1.00 61.54

125 CA GLU A 17 7 . 542 39.070 55.519 1.00 60.72

126 CB GLU A 17 6.836 38.392 54.336 1.00 59.38

127 CG GLU A 17 7.186 38.975 52.973 1.00 57.98

128 CD GLU A 17 6.398 38.331 51.842 1.00 59.38

129 OEl GLU A 17 6.555 37.109 51.638 1.00 56.61

130 OE2 GLU A 17 5.617 39.039 51.162 1.00 59.64

131 C GLU A 17 6 .980 3388. .551199 56.836 1.00 60.95

132 O GLU A 17 7, .123 37, .332 57.142 1.00 59.90

133 N GLU A 18 6. .340 39 .393 57.611 1.00 61.31

134 CA GLU A 18 5 .725 39 .001 58.881 1.00 62.92

135 CB GLU A 18 5, .798 40, .143 59.901 1.00 65.55

136 CG GLU A 18 7, .171 40 .773 60.128 1.00 70.83

137 CD GLU A 18 8 .144 39 .870 60.884 1.00 75.28

138 OEl GLU A 18 7, .726 39, .236 61.882 1.00 76.52

139 OE2 GLU A 18 9, .336 39, .809 60.488 1.00 77.27

140 C GLU A 18 4. .246 38, .685 58.618 1.00 62.05

141 O GLU A 18 3, .487 39, .563 58.205 1.00 60.94

142 N SER A 19 3.835 37.444 58.864 1.00 62.14

143 CA SER A 19 2.444 37.047 58.644 1.00 61.93

144 CB SER A 19 2.349 35.545 58.423 1.00 61.99

145 OG SER A 19 2.576 34.858 59.641 1.00 63.96 146 C SER A 19 1..557 37..403 59..824 1..00 62..26

147 0 SER A 19 0. .427 37. .852 59. .647 1. .00 62. .77

148 N LYS A 20 2. .073 37. .191 61. .031 1. .00 63. .52

149 CA LYS A 20 1. .321 37. .466 62. .250 1. .00 64. .15

150 CB LYS A 20 1. .478 36. .302 63. .227 1. .00 63. .83

151 CG LYS A 20 0. .907 34. .987 62. .733 1. .00 65. .99

152 CD LYS A 20 1. .312 33. .855 63. .664 1. .00 67. .57

153 CE LYS A 20 0. .176 32. .852 63. .853 1. .00 69. .70

154 NZ LYS A 20 0. .531 31. .790 64 , .850 1. .00 70, .13

155 C LYS A 20 1. .717 38. .761 62. .952 1 .00 64 .71

156 0 LYS A 20 2. .795 39. .310 62, .725 1. .00 65, .15

157 N LEU A 21 0, .816 39, .237 63, .805 1. .00 66 .22

158 CA LEU A 21 1. .019 40, .448 64 .584 1, .00 66 .31

159 CB LEU A 21 -0, .328 40, .911 65. .141 1 .00 64 .44

160 CG LEU A 21 -0. .439 42, .287 65. .789 1, .00 64 .71

161 CDl LEU A 21 0, .021 43, .370 64. .818 1, .00 64 .19

162 CD2 LEU A 21 -1, .885 42, .514 66, .202 1, .00 63 .86

163 C LEU A 21 1, .961 40, .037 65, .716 1, .00 67 .72

164 0 LEU A 21 1, .802 38, .964 66, .295 1, .00 68 .08

165 N PRO A 22 2, .965 40, .871 66, .034 1, .00 69 .38

166 CD PRO A 22 3, .294 42, .165 65, .414 1, .00 69 .24

167 CA PRO A 22 3, .918 40. .548 67, .105 1, .00 71 .47

168 CB PRO A 22 4 , .946 41, .674 66, .998 1, .00 70 .25

169 CG PRO A 22 4 , .136 42, .819 66, .481 1, .00 69, .60

170 C PRO A 22 3, .302 40, .426 68, .506 1, .00 74 .30

171 0 PRO A 22 3, .172 39, .311 69, .028 1, .00 74, .55

172 N ILE A 23 2, .946 41, .574 69, .096 1, .00 75, .95

173 CA ILE A 23 2, .320 41. .701 70. .428 1, .00 77, .50

174 CB ILE A 23 2. .355 40. .378 71, .273 1. .00 77, .35

175 CG2 ILE A 23 3. .790 40. .045 71. .733 1, .00 76, .80

176 CGI ILE A 23 1, .412 40. .531 72, .475 1. .00 77. .64

177 CDl ILE A 23 1. .073 39. .228 73. .185 1. .00 78, .27

178 C ILE A 23 2. .945 42. .841 71. .248 1. .00 78, .31

179 0 ILE A 23 3. .636 42. .633 72. .254 1. .00 78, .62

180 N ASN A 24 2. .676 44. .058 70. .792 1. .00 78, .95

181 CA ASN A 24 3, .168 45. .276 71. .422 1. .00 79 .51

182 CB ASN A 24 3, .059 46. .415 70. .406 1. .00 78 .70 183 CG ASN A 24 3.728 47.688 70.867 1.00 79.70

184 ODl ASN A 24 3.197 48.420 71.710 1.00 80.26

185 ND2 ASN A 24 4.903 47.969 70.309 1.00 79.35

186 C ASN A 24 2.301 45.558 72.651 1.00 80.49 187 O ASN A 24 1.112 45.231 72.659 1.00 82.00 188 N ALA A 25 2.886 46.149 73.690 1.00 80.43

189 CA ALA A 25 2.130 46.461 74.906 1.00 80.47

190 CB ALA A 25 3.077 46.952 76.007 1.00 79.37

191 C ALA A 25 1.026 47.501 74.651 1.00 80.45 192 O ALA A 25 -0.074 47.395 75.203 1.00 79.66 193 N LEU A 26 1.321 48.500 73.818 1.00 80.96

194 CA LEU A 26 0.345 49.548 73.491 1.00 80.24

195 CB LEU A 26 1.060 50.873 7733., .115566 1. .00 81, .09

196 CG LEU A 26 0.643 52.147 7733., .991177 1. .00 80, .88

197 CDl LEU A 26 11. .556688 53 .298 7733 ..553311 1, .00 79 .72

198 CD2 LEU A 26 -00. .881100 52 .500 7733 ..661133 1. .00 80, .18

199 C LEU A 26 -00.. .556699 49 .137 777222. ..333222777 1, .00 78 .95 200 0 LEU A 26 -11. .554433 49 .833 777222. ..000222777 1, .00 78 .56 201 N SER A 27 0 .244 48 .019 7711 ..667722 1, .00 77, .58

202 CA SER A 27 1 .059 47, .509 7700 ..556666 1, .00 76, .72

203 CB SER A 27 0 .239 46, .595 666999. ..666444333 1, .00 75, .82

204 OG SER A 27 0 .035 45, .341 777000. ..222555000 1, .00 75, .16 205 C SER A 27 2 .199 46, .716 7711 ..220033 1. .00 76, .06 206 O SER A 27 3 .316 46, .668 7700 ..667722 1. .00 75, .18 207 N ASN A 28 1 .895 46, .094 777222. ..333444444 1. .00 74 , .43

208 CA ASN A 28 2, .873 45, .326 777333. ..111000444 1. .00 74 , .10

209 CB ASN A 28 2, .171 44 , .410 7744., ..110077 1. .00 75, .37

210 CG ASN A 28 1, .493 43 , .226 7733,, ..443366 1. .00 77, .30

211 ODl ASN A 28 0 .872 43 .369 7722 ..337744 1, .00 79 .11

212 ND2 ASN A 28 1 .600 42, .050 7744 ..005522 1, .00 76, .68

213 C ASN A 28 3 .742 46 .341 777333. ..888333111 1, .00 72, .92

214 O ASN A 28 4 .787 46, .006 777444. ..333999000 1. .00 73, .43 215 N SER A 29 3 .287 47, .592 777333. ..888111111 1. .00 72, .05 216 CA SER A 29 4 , .006 48, .704 7744 ..442255 1. .00 70, .49 217 CB SER A 29 3, .128 49, .970 7744 ,, ..443366 1. .00 70, .49

218 OG SER A 29 3, .813 51, .113 7733,, ..992266 1. .00 68, .94

219 C SER A 29 5, .228 48. .940 7733 ..555577 1. .00 69. .38 220 O SER A 29 -6.302 49.299 74.045 1.00 70.17

221 N LEU A 30 -5.036 48.720 72.259 1.00 67.96

222 CA LEU A 30 ■6.072 48.901 71.25 1.00 65.20

223 CB LEU A 30 -5.460 49.466 69.980 1.00 62.20

224 CG LEU A 30 -6.388 49.538 68.770 1.00 60.55

225 CDl LEU A 30 -7.501 50.535 69.034 1.00 59.96

226 CD2 LEU A 30 -5.591 49.944 67.550 1.00 60.66

227 C LEU A 30 -6.779 47.596 70.928 1.00 65.21

228 O LEU A 30 -8.004 47.561 70.804 1.00 66.77

229 N LEU A 31 -6.015 46.521 70.791 1.00 62.99

230 CA LEU A 31 -6.608 45.244 70.430 1.00 62.68

231 CB LEU A 31 -6.463 45.059 68.917 1.00 59.48

232 CG LEU A 31 -7.135 43.901 68.196 1.00 56.92

233 CDl LEU A 31 -7.389 44.328 66.774 1.00 57.60

234 CD2 LEU A 31 -6.278 42.654 68.243 1.00 55.93 235 C LEU A 31 -5.983 44.082 71.200 1.00 63.65 236 O LEU A 31 -4.764 43.906 71.204 1.00 64.10 237 N ARG A 32 -6.835 43.290 7711.. .884466 1. .00 64 .90

238 CA ARG A 32 -6.396 42.159 7722., .665544 1, .00 65 .94

239 CB ARG A 32 -7.233 42.123 7733., .995511 1. .00 66 .62

240 CG ARG A 32 7.135 40.847 7744., .880044 1. .00 68 .51

241 CD ARG A 32 7.446 41.126 7766.. .228899 1, .00 69 .02

242 NE ARG A 32 -8.644 41.952 76, .497 1. .00 70 .63

243 CZ ARG A 32 -9.905 41.519 7766., .440000 1. .00 70. .73

244 NHl ARG A 32 -10.166 40.247 7766., .009977 1. .00 69 .94

245 NH2 ARG A 32 ^■10.914 42.366 7766.. .660000 1. .00 68. .41

246 C ARG A 32 -6.428 40.807 71. .926 1. .00 66. .65

247 O ARG A 32 -5.678 39.894 72. .284 1. .00 66, .16

248 N HIS A 33 -7.273 40.679 70. .902 1. .00 67, .90

249 CA HIS A 33 -7.369 39.425 70. .142 1. .00 69, .82

250 CB HIS A 33 -8.817 39.186 69. .704 1. .00 70, .98

251 CG HIS A 33 -9.769 38.999 70. .843 1. .00 72 , .53

252 CD2 HIS A 33 -9.651 38.303 71. .998 1. .00 73. .19

253 NDl HIS A 33 ^■11.025 39.567 70. .863 1. .00 72. .42

254 CEl HIS A 33 ^■11.639 39.231 71. .983 1. .00 72. .14

255 NE2 HIS A 33 10.828 38.465 72. .689 1. .00 73. .51

256 C HIS A 33 -6.447 39.416 68. .914 1. .00 70. .06 257 O HIS A 33 ■6.877 39.156 67.783 1-00 70.46

258 N HIS A 34 •5.168 39.675 69.158 1.00 69.76

259 CA ^'HIS A 34 -4.15£ 39.735 68.108 1.00 68.96

260 CB HIS A 34 -2.768 39.873 68.744 1.00 68.90

261 CG HIS A 34 -2.489 38.878 69.828 1.00 68.72

262 CD2 HIS A 34 -2.283 37.539 69.780 1.00 68.74

263 NDl HIS A 34 -2.380 39.235 71.156 1.00 68.75

264 CEl HIS A 34 -2.118 38.159 71.878 1.00 69.83

265 NE2 HIS A 34 -2.055 37.117 71.068 1.00 69.67

266 C HIS A 34 -4.125 38.621 67.055 1.00 68.03

267 O HIS A 34 -3.642 38.844 65.947 1.00 68.68 268 N ASN A 35 -4.629 37.435 67.373 1.00 66.69 269 CA ASN A 35 -4.590 36.348 66.401 1.00 65.89

270 CB ASN A 35 4.638 35.005 67.126 1.00 67.00 271 CG ASN A 35 3.346 34.713 67.870 1.00 69.10

272 ODl ASN A 35 -2.301 34.477 67.257 1.00 70.28

273 ND2 ASN A 35 -3.404 34.747 69.197 1, .00 70, .88

274 C ASN A 35 -5.666 36.429 65.326 1, .00 65, .42

275 O ASN A 35 -5.741 35.574 64.441 1. .00 64 , .42 276 N LEU A 36 -6.494 37.466 65.405 1. .00 64 , .39

277 CA LEU A 36 ^■7.546 37.681 64.416 1. .00 63, .48

278 CB LEU A 36 ^■8.749 38.386 65.048 1, .00 63, .90

279 CG LEU A 36 -9.570 37.637 66.098 1. .00 63 , .64

280 CDl LEU A 36 -10.665 38.558 66.617 1, .00 63, .88 281 CD2 LEU A 36 -10.172 36.375 65.493 1. .00 62, .31

282 C LEU A 36 -6.963 38.564 63.316 1. .00 62, .11

283 O LEU A 36 -7.414 38.530 62.166 1. .00 61. .59

284 N VAL A 37 -5.965 39.364 63.690 1. .00 59. .22

285 CA VAL A 37 -5.293 40.248 62.749 1. .00 57. .32 286 CB VAL A 37 -4.614 41.430 63.468 1. .00 56. .92

287 CGI VAL A 37 -3.912 42.313 62.458 1. .00 58. .16

288 CG2 VAL A 37 -5.646 42.242 64.229 1. .00 55. .72

289 C VAL A 37 -4.237 39.428 62.019 1. .00 55. .14

290 O VAL A 37 -3.665 38.503 62.584 1. .00 55. .27 291 N TYR A 38 -3.991 39.748 60.756 1. .00 54. .16

292 CA TYR A 38 -3.000 39.007 59.993 1. .00 52. .23

293 CB TYR A 38 -3.548 37.621 59.617 1. .00 53. .08 294 CG TYR A 38 -4..494 37..617 58..433 1..00 56,.51

295 CDl TYR A 38 -4. .026 37. .368 57. .143 1. .00 56, .95

296 CEl TYR A 38 -4. .887 37. .399 56. .045 1. .00 57, .97

297 CD2 TYR A 38 -5. .855 37. .895 58. .598 1. .00 58, .15

298 CE2 TYR A 38 -6. .724 37. .929 57, .509 1. .00 58, .06

299 CZ TYR A 38 -6. .234 37. .681 56, .235 1. .00 59, .67

300 OH TYR A 38 -7. .089 37, .715 55, .152 1. .00 59, .47

301 C TYR A 38 -2. .612 39, .778 58, .742 1, .00 50, .37

302 0 TYR A 38 -3. .323 40, .691 58, .321 1. .00 48, .78

303 N SER A 39 -1, .471 39, .413 58, .163 1. .00 49, .19

304 CA SER A 39 -0, .983 40, .056 56, .953 1. .00 48 .21

305 CB SER A 39 0, .327 40, .790 57 .230 1, .00 48 .32

306 OG SER A 39 0. .847 41, .349 56 .033 1, .00 49 .77

307 C SER A 39 -0. .765 39, .046 55 .835 1 .00 48 .15

308 0 SER A 39 -0. .275 37 .937 56 .075 1. .00 47 .82

309 N THR A 40 -1. .151 39 .424 54 .617 1, .00 47 .32

310 CA THR A 40 -0, .959 38 .545 53 .471 1, .00 48 .26

311 CB THR A 40 -1, .788 38 .985 52 .247 1, .00 48 .41

312 OGl THR A 40 -1, .543 40 .367 51 .971 1 .00 48 .57

313 CG2 THR A 40 -3. .261 38 .775 52 .500 1 .00 50 .68

314 C THR A 40 0. .516 38 .617 53 .109 1, .00 48 .03

315 0 THR A 40 1. .174 39 .629 53 .371 1, .00 47 .08

316 N THR A 41 1, .021 37 .544 52 .513 1, .00 46 .64

317 CA THR A 41 2, .421 37 .458 52 .126 1, .00 49 .27

318 CB THR A 41 3. .282 36 .770 53 .211 1, .00 50 .56

319 OGl THR A 41 2, .803 35 .433 53 .411 1, .00 52 .04

320 CG2 THR A 41 3. .227 37 .536 54 .526 1, .00 50 .21

321 C THR A 41 2, .553 36, .613 50, .876 1, .00 49 .46

322 O THR A 41 1. .599 35, .959 50, .452 1, .00 49 .56

323 N SER A 42 3. .755 36, .608 50, .310 1, .00 49, .15

324 CA SER A 42 4. .026 35, .843 49, .107 1, .00 49, .92

325 CB SER A 42 5. .477 36, .066 48, .657 1, .00 52, .18

326 OG SER A 42 6, .408 35, .757 49, .681 1, .00 52, .55

327 C SER A 42 3. .755 34 , .351 49, .281 1 , .00 50, .07

328 O SER A 42 3. .887 33 , .584 48, .326 1 , .00 48, .15

329 N ARG A 43 3. .368 33 , .942 50, .491 1 , .00 51, .27

330 CA ARG A 43 3. .078 32, .530 50, .759 1 , .00 51, .86 331 CB ARG A 43 2.914 32.266 52.260 1.00 56.33

332 CG ARG A 43 3.911 32.952 53.179 1.00 62.05

333 CD ARG A 43 3.814 32.395 54.611 1.00 64.76

334 NE ARG A 43 4 .270 33, .332 55, .649 1 , .00 67, .05

335 CZ ARG A 43 5 .390 34, .056 55, .596 1, .00 66, .48

336 NHl ARG A 43 6 .199 33, .975 54, .545 1. .00 66, .10

337 NH2 ARG A 43 5. .712 34, .852 56, .611 1 , .00 65, .79

338 C ARG A 43 1 .796 32, .077 50, .069 1. .00 49, .87

339 0 ARG A 43 1 .690 30, .936 49, .622 1 , .00 48, .90

340 N SER A 44 0, .819 32, .972 49, .991 1 , .00 49. .66

341 CA SER A 44 0 .463 32, .635 49, .373 1, .00 50. .18

342 CB SER A 44 1 .617 33, .297 50, .149 1. .00 48. .00

343 OG SER A 44 1, .480 34, .710 50, .214 1, .00 46. .50

344 C SER A 44 0, .528 33, .016 47, .892 1 , .00 50. .36

345 0 SER A 44 1 .505 32 .705 47 .203 1 .00 50, .93

346 N ALA A 45 0 .529 33 .655 47 .401 1, .00 48, .87

347 CA ALA A 45 0 .596 34 .093 46 .009 1, .00 46, .97

348 CB ALA A 45 2 .029 34 .451 45 .646 1, .00 47, .46

349 C ALA A 45 0 .034 33 .128 44 .972 1. .00 46, .53

350 0 ALA A 45 0 .699 33 .550 44 .085 1, .00 44, .98

351 N SER A 46 0 .361 31 .841 45 .064 1, .00 47, .27

352 CA SER A 46 0 .142 30 .902 44 .059 1, .00 48, .59

353 CB SER A 46 0 .529 29 .535 44 .191 1, .00 45. .52

354 OG SER A 46 0 .009 28, .824 45 .294 1, .00 49. .42

355 C SER A 46 1, .665 30 .726 44 .076 1, .00 49. .59

356 0 SER A 46 2, .245 30, .258 43 .094 1. .00 50. .78

357 N LEU A 47 2, .314 31, .083 45, .181 1, .00 49. .69

358 CA LEU A 47 3 , .769 30. .966 45, .243 1. .00 50. .26

359 CB LEU A 47 4 .284 31 .057 46 .679 1, .00 50, .89

360 CG LEU A 47 4 .083 29 .831 47 .563 1, .00 52. .20

361 CDl LEU A 47 4 .661 30 .109 48 .942 1, .00 50. .03

362 CD2 LEU A 47 4 .751 28 .622 46 .924 1 , .00 52. .05

363 C LEU A 47 4 , .360 32. .112 44 .444 1. .00 49. .52

364 0 LEU A 47 5, .295 31, .920 43 .667 1, .00 49. .73

365 N ARG A 48 3 , .810 33, .307 44 , .644 1. .00 47. .77

366 CA ARG A 48 4 , .288 34 , .478 43, .933 1. .00 46. .25

367 CB ARG A 48 3 , .585 35, .739 44 , .424 1. .00 46. ,02 368 CG ARG A 48 ^•3.849 36.949 43.548 1.00 46.72

369 CD ARG A 48 •5.317 37.290 43.531 1.00 47.38

370 NE ARG A 48 ■5.792 37.593 44.875 1.00 51.15

371 CZ ARG A 48 •7.047 37.917 45.181 1.00 53.42

372 NHl ARG A 48 •7.977 37.983 44.231 1.00 50.26

373 NH2 ARG A 48 •7.369 38.173 46.448 1.00 52.29

374 C ARG A 48 -4.064 34.326 42.442 1.00 46.57

375 0 ARG A 48 -4.859 34.821 41.646 1.00 48.56

376 N GLN A 49 -2.992 33.635 42.063 1.00 45.44

377 CA GLN A 49 -22., .668822 3333.. .444433 40. .652 11.. .0000 4444.. .7711

378 CB GLN A 49 1, .350 32. .706 40. .474 11.. .0000 4455.. .8800

379 CG GLN A 49 0, .131 33. .480 40. .937 1, .00 47, .36

380 CD GLN A 49 1, .137 32. .660 40. .842 1. .00 48, .60

381 OEl GLN A 49 1, .672 32. .425 39. .752 1, .00 49, .41

382 NE2 GLN A 49 1, .618 32, .199 41. .987 1, .00 48, .73

383 C GLN A 49 3, .782 32, .654 39. .979 1. .00 43, .24

384 0 GLN A 49 4 , .230 32, .999 38. .885 1. .00 42 , .29

385 N LYS A 50 4 , .213 31, .588 40. .637 1, .00 42 , .65

386 CA LYS A 50 5, .264 30, .756 40. .088 1. .00 43, .91

387 CB LYS A 50 5, .498 29, .548 40, .998 1. .00 45, .51

388 CG LYS A 50 4, .404 28, .504 40, .821 1, .00 53, .57

389 CD LYS A 50 4 , .335 27, .474 41, .944 1, .00 58 .77

390 CE LYS A 50 3, .084 26, .604 41 , .786 11,, ..0000 6600,. ..7799 391 NZ LYS A 50 2, .901 25, .649 42, .917 11., ..0000 6622,. ..7711 392 C LYS A 50 6, .532 31, .573 39, .884 11,, ..0000 4422,, ..6666 393 O LYS A 50 77,. . .116666 3311, . .446688 3388. . .884400 11., ..0000 4400,, ..9933 394 N LYS A 51 66,.. .885577 3322, ..441133 4400, ..886666 11.,..0000 4422,,..3333 395 CA LYS A 51 8. .034 33 .281 40 .833 1, .00 43 , .93 396 CB LYS A 51 8. .129 34 .109 42. .130 1. .00 48, .12 397 CG LYS A 51 9. .239 33 .701 43. .122 1. .00 54 , .52 398 CD LYS A 51 9. .182 34 .568 44 , .406 1, .00 59, .75 399 CE LYS A 51 9. .956 33 .955 45, .597 1. .00 62, .69

400 NZ LYS A 51 9. .948 34 .847 46, .817 1. .00 62, .70

401 C LYS A 51 8. .048 34 .256 39, .657 1. .00 42, .95

402 O LYS A 51 9. .053 34 .376 38. .959 1. .00 42 , .14 403 N VAL A 52 6. .937 34 .959 39, .442 1. .00 41 , .65 404 CA VAL A 52 6. .874 35 .955 38, .382 1. .00 39. .72 405 CB VAL A 52 -5.869 37.078 38.745 1.00 40.65 406 CGI VAL A 52 -6.116 37.535 40.167 1.00 37.47

407 CG2 VAL A 52 -4. .439 36. .598 38. .570 1. .00 40. .79

408 C VAL A 52 -6. .550 35. .414 37, .000 1. .00 38, .57

409 0 VAL A 52 -6. .563 36. .152 36. .018 1. .00 37. .27

410 N THR A 53 -6. .280 34, .122 36. .913 1. .00 38. .25

411 CA THR A 53 -5. .955 33. .538 35. .623 1. .00 39. .90

412 CB THR A 53 -4 , .777 32. .552 35, .755 1. .00 38. .69

413 OGl THR A 53 -3. .650 33. .264 36. .258 1. .00 40. .43

414 CG2 THR A 53 -4 , .399 31. .954 34 , .418 1. .00 36, .30

415 C THR A 53 -7. .143 32. .844 34 , .976 1. .00 40. .87

416 0 THR A 53 -7, .555 31, .767 35. .397 1. .00 39, .60

417 N PHE A 54 -7 .689 33 .481 33 .947 1 .00 41. .90

418 CA PHE A 54 -8. .820 32, .929 33. .223 1, .00 42, .34

419 CB PHE A 54 -10. .107 33 .135 34 .035 1 .00 38 .91

420 CG PHE A 54 -10, .305 34 .539 34. .556 1, .00 37, .74

421 CDl PHE A 54 -10, .879 35 .526 33 .756 1 .00 36, .17

422 CD2 PHE A 54 -9, .962 34. .863 35. .868 1, .00 38, .41

423 CEl PHE A 54 -11 .114 36 .821 34 .255 1 .00 35 .36

424 CE2 PHE A 54 -10, .192 36 .157 36, .379 1, .00 36, .83

425 CZ PHE A 54 -10 .770 37 .134 35, .568 1 .00 35, .45

426 C PHE A 54 -8, .977 33, .475 31, .799 1, .00 44. .23

427 0 PHE A 54 -8 .422 34 .519 31, .446 1 .00 44 .12

428 N ASP A 55 -9, .718 32, .740 30, .976 1, .00 46, .59

429 CA ASP A 55 -9 .979 33 .137 29, .593 1, .00 48, .45

430 CB ASP A 55 -10, .533 31. .923 28. .832 1, .00 51, .05

431 CG ASP A 55 -10, .078 31 .870 27. .374 1, .00 56, .77

432 ODl ASP A 55 -9. .749 30, .759 26. .886 1. .00 59. .25

433 OD2 ASP A 55 -10, .062 32, .930 26. .710 1. .00 59, .56

434 C ASP A 55 -10. .998 34 , .301 29. .597 1. .00 47. .25

435 0 ASP A 55 -11, .893 34, .339 30. .440 1. .00 46. .48

436 N ARG A 56 -10. .846 35, .265 28. .691 1. .00 45. .56

437 CA ARG A 56 -11. .792 36 .385 28. .624 1. .00 44 , .88

438 CB ARG A 56 -11.090 37.748 28.764 1.00 40.28

439 CG ARG A 56 -10.604 38.082 30.166 1.00 40.52 440 CD ARG A 56 ^•9.239 37.442 30.460 1.00 38.74 441 NE ARG A 56 -8.280 37.855 29.441 1.00 36.79 442 CZ ARG A 56 -7..721 39,.058 29..368 1..00 35..86

443 NHl ARG A 56 -7. .993 39. .997 30. .266 1. .00 30. .41

444 NH2 ARG A 56 -6 .916 39. .335 28. .358 1. .00 38. .23

445 C ARG A 56 -12. .555 36. .365 27. .308 1. .00 45. .60

446 0 ARG A 56 -11 .958 36, .283 26. .230 1. .00 46. .20

447 N LEU A 57 -13, .878 36, .421 27. .402 1. .00 47, .06

448 CA LEU A 57 -14 .736 36, .442 26. .220 1. .00 47, .80

449 CB LEU A 57 -15 .820 35, .366 26, .313 1. .00 51, .26

450 CG LEU A 57 -16 .954 35, .509 25, .289 1. .00 57, .02

451 CDl LEU A 57 -17 .411 34, .129 24 , .824 1 , .00 59, .39

452 CD2 LEU A 57 -18, .120 36, .307 25, .909 1. .00 56, .53

453 C LEU A 57 -15 .364 37, .824 26, .178 1, .00 46, .65

454 0 LEU A 57 -15, .857 38, .310 27, .198 1. .00 47, .36

455 N GLN A 58 -15 .347 38 .460 25, .010 1, .00 44 , .12

456 CA GLN A 58 -15 .898 39 .805 24 , .900 1, .00 44 , .54

457 CB GLN A 58 -14 .770 40 .829 25, .105 1. .00 44 , .42

458 CG GLN A 58 -15 .221 42 .261 25, .315 1, .00 46, .54

459 CD GLN A 58 ^■14.051 43.211 25.570 1.00 48.90

460 OEl GLN A 58 ^■13.081 43.233 24.807 1.00 48.98

461 NE2 GLN A 58 ^•14.144 44.007 26.637 1.00 46.13

462 C GLN A 58 ^■16.635 40.061 23.583 1.00 43.07

463 0 GLN A 58 ^■16.079 39.911 22.496 1, .00 43 .38

464 N VAL A 59 ^■17.899 40.449 23.706 1. .00 41 .77

465 CA VAL A 59 ^•18.767 40.735 22.565 1, .00 40 .67

466 CB VAL A 59 ^■20.012 39.825 22.577 1. .00 41 .50

467 CGI VAL A 59 ^■20.881 40.124 21.375 1, .00 43 .53

468 CG2 VAL A 59 -19.597 38.376 22.603 1. .00 40 .54

469 C VAL A 59 -19.250 42.163 22.701 1. .00 39, .50

470 0 VAL A 59 -19.964 42.477 23.645 1. .00 40, .94

471 N LEU A 60 -18.882 43.028 21.768 1. .00 39, .52

472 CA LEU A 60 ^•19.295 44.426 21.858 1. .00 39, .92

473 CB LEU A 60 ^•18.219 45.335 21.254 1. .00 37, .53

474 CG LEU A 60 ^•16.770 45.021 21.629 1. .00 37, .65

475 CDl LEU A 60 •15.871 46.177 21.216 1. .00 36, .83

476 CD2 LEU A 60 ^■16.669 44.787 23.124 1. .00 36, .45

477 C LEU A 60 ^■20.611 44.630 21.122 1. .00 40, .51

478 0 LEU A 60 ^■21.042 43.754 20.385 1. .00 39, .72 479 N ASP A 61 ■21.247 45.782 21.325 1..00 42..18

480 CA ASP A 61 -22.502 46.080 20.645 1. .00 44. .78

481 CB ASP A 61 -23.687 45.421 21.366 1. .00 43. .59

482 CG ASP A 61 -23.789 45.823 22.824 1. .00 46 .10

483 ODl ASP A 61 -23.897 44.903 23.665 1. ,00 48, .14

484 OD2 ASP A 61 -23.771 47.039 23.133 1. .00 42. .58

485 C ASP A 61 -22.746 47.577 20.484 1. .00 47 .95

486 0 ASP A 61 -21.957 48.409 20.950 1, .00 49 .64

487 N ASP A 62 -23.845 47.908 19.810 1. .00 49 .73

488 CA ASP A 62 -24.210 49.291 19.548 1. .00 50 .73

489 CB ASP A 62 -25.609 49.358 18.907 1, .00 56 .49

490 CG ASP A 62 -25.683 48.646 17.550 1, .00 61 .07

491 ODl ASP A 62 -24.823 48.911 16.679 1. .00 62, .41

492 OD2 ASP A 62 26.617 47.832 17.349 1.00 65.19

493 C ASP A 62 24.173 50.169 20.793 1.00 48.74

494 0 ASP A 62 -23.653 51.279 20.754 1.00 48.37

495 N HIS A 63 -24.737 49.680 21.893 1.00 48.39

496 CA HIS A 63 -24.756 50.446 23.135 1.00 48.24

497 CB HIS A 63 ■25.398 49.632 24.258 1.00 49.39

498 CG HIS A 63 -26.890 49.578 24.178 1.00 51.96

499 CD2 HIS A 63 -27.745 48.530 24.105 1.00 52.14

500 NDl HIS A 63 -27.674 50.714 24.167 1.00 50.97

501 CEl HIS A 63 -28.945 50.367 24.091 1.00 49.98

502 NE2 HIS A 63 29.016 49.048 24.053 1.00 51.51

503 C HIS A 63 -23.348 50.845 23.521 1.00 46.63

504 O HIS A 63 -23.091 51.992 23.885 1.00 45.55

505 N TYR A 64 -22.442 49.880 23.431 1.00 45.87

506 CA TYR A 64 -21.041 50.095 23.736 1.00 45.62

507 CB TYR A 64 -20.267 48.807 23.468 1.00 46.77

508 CG TYR A 64 -18.800 48.868 23.815 1.00 47.12

509 CDl TYR A 64 -18.375 48.779 25.139 1.00 48.30

510 CEl TYR A 64 -17.020 48.822 25.467 1.00 47.35

511 CD2 TYR A 64 -17.834 49.007 22.818 1.00 45.69

512 CE2 TYR A 64 ^■16.478 49.053 23.132 1.00 46.46

513 CZ TYR A 64 ^■16.076 48.959 24.456 1.00 47.81

514 OH TYR A 64 ^■14.741 48.994 24.771 1.00 44.48

515 TYR A 64 ^■20.522 51.220 22.837 1.00 45.85 516 O TYR A 64 -20.176 52.308 23.308 1.00 45.48

517 N ARG A 65 -20.498 50.961 21.535 1.00 45.55

518 CA ARG A 65 -20.019 51.948 20.579 1.00 46.79

519 CB ARG A 65 -20.306 51.484 19.164 1.00 46.73

520 CG ARG A 65 -19.965 50.039 18.917 1.00 50.03

521 CD ARG A 65 -20.025 49.733 17.436 1.00 51.40

522 NE ARG A 65 -20.042 48.298 17.179 1.00 53.87

523 CZ ARG A 65 -21.129 47.539 17.265 1.00 54.08 524 NHl ARG A 65 -22.285 48.085 17.604 1.00 55.15

525 NH2 ARG A 65 -21.062 46.240 16.997 1.00 55.13

526 C ARG A 65 -20.593 53.349 20.760 1.00 47.92

527 O ARG A 65 ^■19.888 54.340 20.552 1.00 50.06

528 N ASP A 66 ^■21.863 53.446 21.142 1.00 49.07

529 CA ASP A 66 ^■22.479 54.759 21.324 1.00 49.13

530 CB ASP A 66 ^■23.995 54.635 21.450 1.00 50.70

531 CG ASP A 66 ^■24.637 54.136 20.179 1.00 53.45

532 ODl ASP A 66 •24.340 54.706 19.109 1.00 55.88

533 OD2 ASP A 66 ^■25.438 53.180 20.245 1.00 55.63

534 C ASP A 66 ^■21.923 55.497 22.527 1.00 48.50

535 O ASP A 66 ^■21.648 56.692 22.455 1.00 48.07

536 N VAL A 67 -21.755 54.790 23 .639 1. .00 48, .03

537 CA VAL A 67 -21.222 55.431 24, .827 1. .00 46, .64 538 CB VAL A 67 -21.259 54.481 26 .040 1, .00 46, .33

539 CGI VAL A 67 -20.533 55.105 2277., .222244 1, .00 43, .42

540 CG2 VAL A 67 -22.702 54.204 26, .416 1, .00 46, .03

541 C VAL A 67 -19.794 55.888 24, .562 1, .00 45, .73

542 0 VAL A 67 -19.407 56.981 24, .957 1, .00 45, .15

543 N LEU A 68 -19.016 55.053 23, .883 1, .00 44 , .47

544 CA LEU A 68 -17.637 55.402 23, .572 1, .00 44 , .97

545 CB LEU A 68 -16.972 54.264 22, .802 1, .00 42, .66

546 CG LEU A 68 -15.529 54.466 22, .331 1, .00 40, .75

547 CDl LEU A 68 -14.643 54.900 23, .503 1, .00 40. .02

548 CD2 LEU A 68 -15.022 53.156 2211.. .771155 1, .00 37, .34

549 C LEU A 68 17.594 56.683 22.747 1.00 46.71

550 O LEU A 68 -16.851 57.621 23.059 1.00 45.47

551 N LYS A 69 -18.412 56.716 21.700 1.00 47.66 552 CA LYS A 69 -18.491 57.866 20.810 1.00 48.83 553 CB LYS A 69 19.642 57.676 19.828 1.00 52.40 554 CG LYS A 69 19.613 58.573 18.603 1.00 56.52 555 CD LYS A 69 -19.083 57.787 17.407 1.00 61.98

556 CE LYS A 69 -19.131 58.586 16.106 1.00 64.33

557 NZ LYS A 69 -18.529 57.811 14.978 1.00 65.01

558 C LYS A 69 -18.732 59.133 21.607 1.00 47.93

559 O LYS A 69 -18.157 60.176 21.324 1.00 48.47

560 N GLU A 70 -19.585 59.030 22.616 1.00 48.79

561 CA GLU A 70 -19.936 60.174 23.443 1.00 49.84

562 CB GLU A 70 -21.209 59.864 24.243 1.00 50.56

563 CG GLU A 70 -22.390 59.462 23.364 1.00 55.24

564 CD GLU A 70 -23.651 59.108 24.155 1.00 58.90

565 OEl GLU A 70 -24.630 5588..664411 23.524 1.00 57.04

566 OE2 GLU A 70 -23.661 59.297 25.398 1.00 60.21

567 C GLU A 70 -18.807 60.565 24.377 1.00 49.46 568 O GLU A 70 -18.645 61.742 24.714 1.00 49.76

569 N MET A 71 -18.029 59.574 24.796 1.00 49.50

570 CA MET A 71 -16.910 59.822 25.690 1.00 49.33

571 CB MET A 71 -16.378 58.497 26.255 1.00 50.04

572 CG MET A 71 -17.336 57.830 27.248 1.00 48.88

573 SD MET A 71 -16.785 56.234 27.897 1.00 52.85

574 CE MET A 71 -15.560 56.767 29.091 1.00 48.02

575 C MET A 71 -15.830 60.571 24.919 1.00 49.56

576 O MET A 71 -15.307 61.590 25.387 1.00 50.53

577 N LYS A 72 -15.517 60.079 23.724 1.00 48.83

578 CA LYS A 72 -14.511 60.716 22.887 1.00 48.22

579 CB LYS A 72 -14.371 59.972 21.563 1.00 43.54

580 CG LYS A 72 -13.810 5588..559922 21.741 1.00 42.69

581 CD LYS A 72 -13.542 57.909 20.427 1.00 44.97

582 CE LYS A 72 -13.025 56.496 20.661 1.00 46.30

583 NZ LYS A 72 ^■12.813 55.754 19.388 1.00 49.69

584 C LYS A 72 ^•14.880 62.168 22.637 1.00 49.19

585 O LYS A 72 ^■14.050 63.068 22.792 1.00 50.08

586 N ALA A 73 ^■16.132 62.396 22.261 1.00 51.03

587 CA ALA A 73 •16.593 63.749 21.995 1.00 51.94

588 CB ALA A 73 •18.095 63.760 21.788 1.00 51.71 589 C ALA A 73 16.213 64.661 23.154 1.00 53.41 590 O ALA A 73 -15,.716 65,.768 22,.943 1..00 53,.28

591 N LYS A 74 -16 .428 64 .191 24, .379 1. .00 54. .19

592 CA LYS A 74 -16, .099 64, .999 25, .550 1, .00 55. .90

593 CB LYS A 74 -16, .861 64, .476 26, .783 1. .00 58. .64

594 CG LYS A 74 -18. .342 64, .864 26. .788 1. .00 60. .25

595 CD LYS A 74 -19, .172 63, .992 27. .719 1. .00 63. .80

596 CE LYS A 74 -20, .670 64 .228 27. .500 1. .00 66. .18

597 NZ LYS A 74 -21, .526 63, .127 28 .062 1. .00 67. .24

598 C LYS A 74 -14 .591 65 .047 25 .810 1. .00 55. .10

599 0 LYS A 74 -14 , .077 66 .000 26, .396 1. .00 52. .52

600 N ALA A 75 -13 .884 64 .024 25 .351 1 .00 55, .49

601 CA ALA A 75 -12, .444 63, .974 25, .539 1. .00 56. .76

602 CB ALA A 75 -11, .915 62, .594 25. .162 1. .00 56. .82

603 C ALA A 75 -11 , .777 65, .040 24. .681 1. .00 57. .75

604 0 ALA A 75 -10. .842 65. .719 25. .120 1. .00 57. .06

605 N SER A 76 -12, .276 65. .200 23. .459 1. .00 58. .67

606 CA SER A 76 -11 .698 66 .168 22 .536 1. .00 59. .19

607 CB SER A 76 -12 .479 66 .197 21, .221 1. .00 59. .28

608 OG SER A 76 -13, .666 66. .960 21, .348 1. .00 63 , .46

609 C SER A 76 -11 .602 67 .578 23 .102 1. .00 58. .46

610 0 SER A 76 -10 .898 68 .409 22 .539 1. .00 59, .86

611 N THR A 77 -12 .290 67. .856 24, .208 1. .00 57. .26

612 CA THR A 77 -12, .232 69. .193 24 , .803 1. .00 56. .83

613 CB THR A 77 -13, .593 69. .612 25. .406 1. .00 57. .04

614 OGl THR A 77 -13 .861 68. .835 26, .582 1. .00 56. .95

615 CG2 THR A 77 -14 .705 69 .403 24 .393 1. .00 55, .75

616 C THR A 77 -11 .179 69 .281 25, .906 1. .00 56, .40

617 0 THR A 77 -11, .145 70, .244 26, .666 1. .00 55, .89

618 N VAL A 78 -10 .325 68 .268 25, .988 1. .00 56, .66

619 CA VAL A 78 -9.269 68.222 26.997 1.00 56.90

620 CB VAL A 78 -9.181 66.816 27.643 1.00 57.06

621 CGI VAL A 78 -8.005 66.755 28.608 1.00 56.26

622 CG2 VAL A 78 10.474 66.490 28.363 1.00 57.82

623 C VAL A 78 -7.901 68.536 26.392 1.00 56.21 624 O VAL A 78 -7.525 67.953 25.375 1.00 54.45

625 N LYS A 79 -7.156 69.448 27.012 1.00 56.57

626 CA LYS A 79 -5.822 69.772 26.502 1.00 58.44 627 CB LYS A 79 -5.690 71.258 26.170 1.00 61.29

628 CG LYS A 79 -4.421 71.556 25.368 1.00 64.94

629 CD LYS A 79 -4.089 73.042 25.282 1.00 65.95

630 CE LYS A 79 ■2.849 73.260 24.424 1.00 66.95

631 NZ LYS A 79 •1.733 72.352 24.836 1.00 68.13 632 C LYS A 79 -4.749 69.391 27.512 1.00 57.88 633 0 LYS A 79 -4.654 69.979 28.585 1.00 56.87 634 N ALA A 80 -3.923 68.414 27.165 1.00 58.12

635 CA ALA A 80 -2.894 67.967 28.090 1.00 59.27

636 CB ALA A 80 -2.959 66.457 28.225 1.00 58.88

637 C ALA A 80 -1.480 68.406 27.725 1.00 60.11

638 O ALA A 80 -1.138 68.546 26.553 1.00 59.92 639 N LYS A 81 -0.660 68.607 28.751 1.00 60.93 640 CA LYS A 81 0.721 69.039 28.573 1.00 62.82 641 CB LYS A 81 0.997 70.288 29.425 1.00 63.99

642 CG LYS A 81 1.036 70.004 30.930 1.00 65.79 643 CD LYS A 81 1.012 71.275 31.784 1.00 66.64 644 CE LYS A 81 0.993 70.929 33.277 1.00 66.32 645 NZ LYS A 81 0.725 72.103 34.159 1.00 65.59

646 C LYS A 81 1.704 67.948 28.983 1.00 62.48 647 0 LYS A 81 1.383 67.065 29.782 1.00 62.79 648 N LEU A 82 2.905 68.013 28.421 1.00 61.14 649 CA LEU A 82 3.945 67.069 28.767 1.00 59.29

650 CB LEU A 82 5.035 67.049 27.697 1.00 60.39

651 CG LEU A 82 4.927 66.060 26.534 1.00 61.90

652 CDl LEU A 82 6.087 66.277 25.568 1.00 61.87

653 CD2 LEU A 82 4.956 64.639 27.070 1.00 61.03

654 C LEU A 82 4.524 67.642 30.036 1.00 58.38

655 0 LEU A 82 4.450 68.844 30.254 1.00 59.75

656 N LEU A 83 5.072 66.797 30.893 1.00 57.84

657 CA LEU A 83 5.693 67.305 32.103 1.00 57.61

658 CB LEU A 83 5.465 66.377 33.291 1.00 57.44

659 CG LEU A 83 4.085 66.322 33.934 1.00 58.00

660 CDl LEU A 83 4.213 65.568 35.252 1.00 57.46

661 CD2 LEU A 83 3.542 67.724 34.175 1.00 57.46

662 C LEU A 83 7.176 67.368 31.812 1.00 58.13

663 0 LEU A 83 7.654 66.732 30.878 1.00 58.88 664 N SER A 84 7,.903 68,.144 32..602 1..00 59..19

665 CA SER A 84 9, .344 68, .261 32. .429 1. .00 59. .76

666 CB SER A 84 9, .830 69, .606 32. .950 1. .00 59. .98

667 OG SER A 84 9, .600 69, .692 34. .347 1. .00 60. .73

668 C SER A 84 9, .939 67, .157 33. .279 1. .00 59. .99

669 0 SER A 84 9, .376 66, .809 34. .315 1. .00 60. .22

670 N VAL A 85 11, .069 66, .603 32. .855 1. .00 60. .03

671 CA VAL A 85 11, .695 65, .543 33. .629 1. .00 59. .21

672 CB VAL A 85 13, .106 65, .227 33. .110 1. .00 58. .06

673 CGI VAL A 85 13, .743 64 .118 33. .957 1, .00 57. .77

674 CG2 VAL A 85 13, .035 64, .813 31, .644 1, .00 57. .89

675 C VAL A 85 11, .780 65, .964 35, .091 1. .00 60. .40

676 0 VAL A 85 11, .651 65 .132 35, .991 1, .00 61. .53

677 N GLU A 86 11, .993 67 .254 35, .338 1, .00 61. .59

678 CA GLU A 86 12, .078 67 .718 36, .718 1, .00 63. .25

679 CB GLU A 86 12, .624 69 .154 36 .806 1, .00 65. .56

680 CG GLU A 86 12, .715 69 .654 38 .265 1. .00 69. .36

681 CD GLU A 86 13, .512 70 .946 38 .441 1. .00 70, .59

682 OEl GLU A 86 13 .696 71 .365 39 .606 1. .00 70, .33

683 OE2 GLU A 86 13 .951 71 .537 37, .427 1, .00 71, .39

684 C GLU A 86 10, .705 67 .640 37 .381 1, .00 61. .87

685 0 GLU A 86 10 .563 67 .060 38 .462 1. .00 62. .44

686 N GLU A 87 9, .695 68 .220 36, .739 1. .00 59, .07

687 CA GLU A 87 8, .349 68, .178 37, .289 1, .00 56. .38

688 CB GLU A 87 7 .352 68, .764 36, .290 1. .00 58. .05

689 CG GLU A 87 7, .257 70, .278 36, .340 1. .00 58. .27

690 CD GLU A 87 6, .439 70, .856 35, .200 1, .00 59. .73

691 OEl GLU A 87 6, .123 72, .065 35, .255 1. .00 61. .56

692 OE2 GLU A 87 6, .118 70, .116 34, .245 1, .00 59. .68

693 C GLU A 87 7, .956 66, .747 37, .652 1, .00 54. .18

694 0 GLU A 87 7, .460 66, .495 38, .748 1, .00 54. .26

695 N ALA A 88 8, .197 65, .810 36, .739 1. .00 51. .98

696 CA ALA A 88 7, .863 64 , .407 36, .976 1. .00 50. .35

697 CB ALA A 88 8. .120 63 , .582 35, .719 1. .00 49. .60

698 C ALA A 88 8. .652 63 , .836 38, .145 1. .00 50. .29

699 0 ALA A 88 8. .093 63 , .176 39, .018 1. .00 51. .04

700 N CYS A 89 9. .955 64 , .091 38, .155 1. .00 51. .04 701 CA CYS A 89 10,.830 63,.614 39,.222 1..00 50,.63

702 CB CYS A 89 12, .243 64, .186 39, .038 1. .00 49, .22

703 SG CYS A 89 13 .286 63 .307 37 .850 1. .00 51, .99

704 C CYS A 89 10, .313 63 , .984 40, .613 1. .00 50, .86

705 0 CYS A 89 10, .438 63, .195 41, .552 1. .00 48, .67

706 N LYS A 90 9, .737 65, .182 40, .739 1. .00 52, .26

707 CA LYS A 90 9 .226 65 .656 42 .028 1. .00 54, .26

708 CB LYS A 90 99., .001199 67, .181 42, .004 1. .00 56. .50

709 CG LYS A 90 1100., .334499 6677., .994466 41, .886 1. .00 62. .40

710 CD LYS A 90 10, .332 69, .350 42 .511 1. .00 64. .43

711 CE LYS A 90 9 .565 70 .366 41 .665 1. .00 66, .41

712 NZ LYS A 90 9 .600 71 .737 42 .263 1, .00 64, .52

771133 C LYS A 90 7, .956 64, .943 42 .483 1. .00 53. .83

771144 0 LYS A 90 7, .660 64, .896 43 .683 1. .00 52. .83 715 N LEU A 91 7 .217 64 .386 41 .525 1. .00 52. .34

716 CA LEU A 91 6 .002 63 .638 41 .830 1, .00 50. .83

717 CB LEU A 91 5, .119 63, .511 40 .586 1. .00 49. .16

718 CG LEU A 91 4 , .539 64, .802 40 .007 1 , .00 48. .83

719 CDl LEU A 91 4 , .012 64 .540 38 .606 1. .00 46, .64

720 CD2 LEU A 91 3 .445 65 .334 40 .922 1. .00 46. .08

721 C LEU A 91 6, .378 62, .237 42, .331 1. .00 50. .92 722 O LEU A 91 5, .522 61, .497 42 .820 1. .00 52. .40 723 N THR A 92 7, .655 61, .876 42 .212 1, .00 48, .21 724 CA THR A 92 8 .107 60, .565 42 .652 1, .00 48, .20 725 CB THR A 92 9 .441 60 .183 42 .006 1, .00 46, .68

726 OGl THR A 92 9, .274 60, .138 40, .587 1. .00 47. .75

727 CG2 THR A 92 9, .916 58, ,815 42, .501 1. .00 45. .44

728 C THR A 92 8, .253 60, .504 44, .165 1. .00 50. .02 729 0 THR A 92 88,. .888899 61, .358 44 .771 1. .00 50. .40 730 N PRO A 93 77.. .664444 59. .490 44 , .795 1. .00 51. .94 731 CD PRO A 93 6. .623 58. .630 44 , .176 1. .00 51. .42 732 CA PRO A 93 7, .682 59, .285 46, .250 1. .00 53. .17 733 CB PRO A 93 66,. .664499 5588,. .117788 46, .468 1. .00 52. .55 734 CG PRO A 93 55.. .669966 58. .380 45, .328 1. ,00 52. .96 735 C PRO A 93 99.. .006611 58. .890 46, .783 1. ,00 53. .68 736 O PRO A 93 99...774422 5588...006644 46,.191 11...0000 5555...5555 737 N PRO A 94 9.477 59.471 47.921 1.00 54.41 738 CD PRO A 94 8..750 60..505 48..679 1..00 54,.89

739 CA PRO A 94 10. .770 59. .191 48. .552 1. .00 54. .17

740 CB PRO A 94 10. .645 59. .886 49. .900 1. .00 53. .82

741 CG PRO A 94 9. .841 61. .082 49. .560 1. .00 54. .51

742 C PRO A 94 11. .062 57. .708 48. .706 1. .00 54. .95

743 0 PRO A 94 12. .213 57. .281 48. .609 1. .00 55. .44

744 N HIS A 95 10. .017 56. .925 48. .947 1. .00 54. .99

745 CA HIS A 95 10. .178 55. .490 49, .127 1. .00 56. .31

746 CB HIS A 95 9. .228 54. .987 50, .224 1. .00 60. ,77

747 CG HIS A 95 7. .800 55. .396 50, .027 1. .00 66. .45

748 CD2 HIS A 95 6. .708 54. .678 49, .665 1. .00 68. .19

749 NDl HIS A 95 7, .367 56. .696 50, .190 1. .00 68. .46

750 CEl HIS A 95 6. .072 56, .762 49 .936 1, .00 70. .25

751 NE2 HIS A 95 5, .647 55, .551 49, .615 1. .00 71, .22

752 C HIS A 95 9. .995 54 , .645 47, .864 1. .00 54 , .55

753 0 HIS A 95 10, .202 53, .434 47, .900 1. .00 55, .87

754 N SER A 96 9, .632 55, .270 46, .749 1, .00 51, .93

755 CA SER A 96 9, .423 54, .532 45 .500 1 .00 50, .01

756 CB SER A 96 9, .257 55, .511 44, .335 1, .00 49, .41

757 OG SER A 96 8, .966 54, .828 43 .128 1, .00 48. .79

758 C SER A 96 10, .557 53, .555 45 .190 1, .00 48, .84

759 0 SER A 96 11 .724 53, .916 45 .267 1, .00 50, .71

760 N ALA A 97 10 .212 52 .322 44 .831 1, .00 48, ,08

761 CA ALA A 97 11 .218 51 .308 44 .515 1, .00 47. .18

762 CB ALA A 97 10 .573 50 .107 43 .823 1. .00 46. .46

763 C ALA A 97 12 .339 51 .864 43 .640 1, .00 47. .44

764 0 ALA A 97 12 .104 52 .644 42, .702 1, .00 44. .24

765 N LYS A 98 13 .559 51 .440 43, .957 1, .00 47. .38

766 CA LYS A 98 14 .745 51 .874 43 .234 1, .00 48. .55

767 CB LYS A 98 16 .006 51 .518 44 , .023 1, .00 48. .62

768 CG LYS A 98 16 .173 50 .021 44 , .188 1, .00 49. .11

769 CD LYS A 98 17 .399 49 .623 44 .973 1, .00 50, .77

770 CE LYS A 98 17 .460 48, .098 45 .035 1, .00 56, .00

771 NZ LYS A 98 18 .705 47 .531 45 .640 1, .00 59, .45

772 C LYS A 98 14 .815 51, .201 41 .871 1 .00 48, .82

773 0 LYS A 98 14 .269 50, .107 41 .671 1 .00 47, .10

774 N SER A 99 15 .508 51, .873 40 .953 1 .00 48, .99 775 CA SER A 99 15..726 51..408 39..589 1..00 49..63

776 CB SER A 99 16. .212 52. .589 38. .735 1. .00 48. .31

777 OG SER A 99 16. .624 52. .183 37. .445 1. .00 46. .30

778 C SER A 99 16. .766 50. .280 39. .567 1. .00 51. .38

779 0 SER A 99 17. .598 50. .178 40. .475 1. .00 52. .23

780 N LYS A 100 16. .702 49. .430 38. .541 1. .00 52. .96

781 CA LYS A 100 17. .651 48, .328 38. .376 1. .00 55. .54

782 CB LYS A 100 17. .092 47, .237 37. .457 1. .00 57. .18

783 CG LYS A 100 15. .758 46, .675 37. .885 1. .00 62. .21

784 CD LYS A 100 15. .368 45, .458 37. .058 1. .00 62. .36

785 CE LYS A 100 14, .065 44 , .865 37. .577 1. .00 61, .17

786 NZ LYS A 100 13. .861 43, .492 37. .051 1. .00 61. .02

787 C LYS A 100 18. .884 48, .910 37. ,701 1. .00 56. .65

788 0 LYS A 100 19. .909 48 .239 37, .557 1. .00 54. .61

789 N PHE A 101 18, .766 50 .171 37, .291 1. .00 57, .42

790 CA PHE A 101 19, .846 50, .857 36. .604 1, .00 58, .98

791 CB PHE A 101 19, .272 51 .595 35, .390 1. .00 59, .13

792 CG PHE A 101 18, .506 50 .693 34, .454 1 , .00 59, .67

793 CDl PHE A 101 17, .122 50 .562 34 , .565 1. .00 59, .66

794 CD2 PHE A 101 19, .176 49 .923 33, .504 1. .00 58, ,99

795 CEl PHE A 101 16, .418 49 .676 33, .746 1. .00 59, .26

796 CE2 PHE A 101 18, .484 49 .032 32, .680 1. .00 59, .86

797 CZ PHE A 101 17, ,101 48 .908 32, .801 1. .00 60, .08

798 C PHE A 101 20, .680 51 .793 37, .484 1. .00 60. .03

799 0 PHE A 101 20, .969 52 .935 37, .114 1. .00 60, .17

800 N GLY A 102 21, .051 51 .288 38. .658 1. .00 60, .74

801 CA GLY A 102 21, .885 52 .032 39, .588 1. .00 61, .17

802 C GLY A 102 21, .461 53 .371 40, .173 1. .00 60, .80

803 0 GLY A 102 22, .264 54 .305 40. .195 1. .00 62, .59

804 N TYR A 103 20, .224 53 .483 40, .643 1, .00 58, .92

805 CA TYR A 103 19, .751 54 .717 41, .272 1. .00 57, .26

806 CB TYR A 103 19, .720 55 .894 40, .283 1, .00 55, .11

807 CG TYR A 103 18. .718 55 .781 39, .165 1. .00 55. .93

808 CDl TYR A 103 17, .449 56 .361 39, .272 1. .00 56. .08

809 CEl TYR A 103 16, .526 56 .264 38, .239 1. .00 54. .83

810 CD2 TYR A 103 19.036 55.098 37.995 1.00 56.31

811 CE2 TYR A 103 18.121 54.994 36.954 1.00 57.74 812 CZ TYR A 103 16.871 55.578 37.081 1.00 56.70

813 OH TYR A 103 15.985 55.481 36.038 1.00 56.11

814 C TYR A 103 18.383 54.482 41.883 1.00 56.91

815 0 TYR A 103 17.766 53.443 41.641 1.00 58.15

816 N GLY A 104 17.916 55.429 42.689 1.00 55.34

817 CA GLY A 104 16.633 55.249 43.332 1.00 54.87

818 C GLY A 104 15.823 56.505 43.519 1.00 55.43

819 O GLY A 104 16.038 57.511 42.844 1.00 54.90

820 N ALA A 105 14.884 56.432 44.452 1 . 00 56 . 08 821 CA ALA A 105 13.991 57.545 44.744 1 . 00 58 . 30 822 CB ALA A 105 13.070 57.174 45.912 1 . 00 58 . 63 823 C ALA A 105 14.718 58.849 45.042 1 . 00 58 . 20 824 O ALA A 105 14.483 59.860 44.386 1 . 00 57 . 50 825 N LYS A 106 15.596 58.824 46.037 1 . 00 59 . 97 826 CA LYS A 106 16.347 60.021 46.417 1 . 00 61 . 77 827 CB LYS A 106 17.428 59.669 47.448 1.00 65.73 828 CG LYS A 106 17.939 60.865 48.243 1.00 69.58

829 CD LYS A 106 18.762 60.420 49.456 1.00 71.98

830 CE LYS A 106 19.138 6611..661144 50.340 1.00 73.57

831 NZ LYS A 106 19.809 61.207 51.618 1.00 74.18 832 C LYS A 106 16.991 60.616 45.174 1.00 59.66 833 0 LYS A 106 16.742 61.768 44.827 1.00 58.91 834 N ASP A 107 17.805 59.808 44.506 1.00 57.17 835 CA ASP A 107 18.492 60.212 43.290 1.00 55.47 836 CB ASP A 107 19.134 58.988 42.655 1.00 53.92 837 CG ASP A 107 20.050 58.269 43.616 1.00 54.28

838 ODl ASP A 107 20.343 57.072 43.403 1.00 53.84

839 OD2 ASP A 107 20.480 58.914 44.594 1.00 54.77

840 C ASP A 107 17.543 60.880 42.303 1.00 56.28

841 O ASP A 107 17.889 61.882 41.670 1.00 56.43

842 N VAL A 108 16.339 60.332 42.180 1.00 55.64

843 CA VAL A 108 15.358 6600..889922 41.263 1.00 54.85

844 CB VAL A 108 14.153 59.919 41.067 1.00 55.15

845 CGI VAL A 108 13.139 60.509 40.092 1.00 53.54

846 CG2 VAL A 108 14.652 58.584 40.536 1.00 55.06

847 C VAL A 108 14 . 864 62 . 24 9 41 . 764 1.00 53.75

848 O VAL A 108 14.789 63.203 40.998 1.00 53.03 849 N ARG A 109 14.546 62.337 43.052 1.00 54.86

850 CA ARG A 109 14.051 63.585 43.635 1.00 55.61

851 CB ARG A 109 13.506 6633..333377 45.044 1.00 55.51

852 CG ARG A 109 12.253 62.474 45.078 1.00 56.95 853 CD ARG A 109 11.630 62.455 46.462 1.00 57.02 854 NE ARG A 109 11.098 63.763 46.841 1.00 58.38

855 CZ ARG A 109 10.049 64.345 46.264 1.00 58.76

856 NHl ARG A 109 9.408 63.742 45.273 1.00 59.62

857 NH2 ARG A 109 9.629 65.531 46.687 1.00 59.47 858 C ARG A 109 15.093 64.696 43.688 1.00 56.78

859 O ARG A 109 14.768 65.870 43.464 1.00 56.60 860 N SER A 110 16.336 64.327 43.997 1.00 57.41

861 CA SER A 110 17.427 65.291 44.074 1.00 58.54

862 CB SER A 110 18.592 64.721 44.894 1.00 60.15

863 OG SER A 110 19.274 63.670 44.221 1.00 60.97 864 C SER A 110 17.900 65.653 42.664 1.00 59.13 865 O SER A 110 18.627 66.628 42.475 1.00 59.15 866 N LEU A 111 17.473 64.856 41.685 1.00 59.16

867 CA LEU A 111 17.806 6655..006644 40.275 1.00 59.04

868 CB LEU A 111 17.560 66.527 39.873 1.00 59.30

869 CG LEU A 111 16.123 67.065 39.912 1.00 58.94

870 CDl LEU A 111 16.084 68.502 39.397 1.00 56.28

871 CD2 LEU A 111 15.237 66.188 39.050 1.00 58.79

872 C LEU A 111 19. .222 64 .669 39 .874 1. .00 58. .15

873 0 LEU A 111 19. .769 65 .222 38, .923 1. .00 58 .35

874 N SER A 112 19, .803 63 .700 40, .574 1. .00 58. .19

875 CA SER A 112 21, .156 63 .254 40, .268 1, .00 58. .74

876 CB SER A 112 21, .478 61, .950 41, .001 1, .00 59. .20

877 OG SER A 112 21, .149 60 .819 40, .208 1, ,00 60. .15

878 C SER A 112 21. .339 63, .039 38, .770 1. .00 59, .85

879 O SER A 112 20. .384 62, .736 38, .054 1, .00 60, .27

880 N SER A 113 22, .574 63 .194 38, .303 1. .00 60, .83

881 CA SER A 113 22, .879 63, .016 36, .892 1. .00 61, .40

882 CB SER A 113 24 , .369 63, .267 36, .624 1, .00 61, .40

883 OG SER A 113 24. .692 64 , .636 36, .807 1. .00 62, .73

884 C SER A 113 22, .496 61. .619 36, .425 1. .00 61, .21

885 O SER A 113 21, .610 61, .472 35. .^'583 1 , .00 61, .80 886 N ARG A 114 23,.156 60..599 36., 970 1..00 60..31

887 CA ARG A 114 22, .872 59. .221 36. .583 1. .00 61. .05

888 CB ARG A 114 23, .388 58. .244 37. .650 1. .00 61. .61

889 CG ARG A 114 23, .248 56. .759 37. .283 1. .00 62. .17

890 CD ARG A 114 24 , .351 56. .276 36. .338 1. .00 63. .81

891 NE ARG A 114 23, .934 55. .106 35. .565 1. .00 64. .82

892 CZ ARG A 114 23. .092 55. .149 34. .530 1. .00 66. .19

893 NHl ARG A 114 22. .577 56. .311 34. .130 1. .00 65. .90

894 NH2 ARG A 114 22 .743 54. .028 33. .905 1, .00 64. .82

895 C ARG A 114 21 .367 59. .028 36. .389 1. .00 61, .27

896 0 ARG A 114 20 .925 58. .555 35. .343 1. .00 62, .14

897 N ALA A 115 20 .584 59. .416 37. .392 1, .00 60, ,39

898 CA ALA A 115 19 .130 59 .283 37. .329 1. .00 61. .46

899 CB ALA A 115 18 .497 59, .852 38. .595 1, .00 60. .76

900 C ALA A 115 18 .505 59 .941 36. .098 1. .00 61. .27

901 0 ALA A 115 17 .968 59 .249 35. .230 1, .00 61. .49

902 N VAL A 116 18 .577 61, .269 36, .016 1 , .00 60. .80

903 CA VAL A 116 17 .989 61 .982 34, .883 1, ,00 61. .52

904 CB VAL A 116 18 .138 63, .526 35, ,028 1. .00 61. .82

905 CGI VAL A 116 17 .671 63, .964 36, .404 1. .00 61. .18

906 CG2 VAL A 116 19 .566 63, .946 34 , .783 1, .00 64. .89

907 ^' C VAL A 116 18 .525 61, .558 33, .510 1, .00 61. .09

908 0 VAL A 116 17 .814 61, .675 32, .507 1, .00 61. .91

909 N ASN A 117 19 .764 61, .076 33 , .445 1. .00 59. .73

910 CA ASN A 117 20 .301 60, .636 32, .157 1. .00 58. .88

911 CB ASN A 117 21 .778 60, .220 32, .263 1. .00 61. .68

912 CG ASN A 117 22 .730 61, .406 32. .221 1. .00 62. .71

913 ODl ASN A 117 22, .472 62, .397 31. .534 1. .00 63. .67

914 ND2 ASN A 117 23 .846 61, .300 32. .941 1. .00 62. .31

915 C ASN A 117 19, .485 59, .446 31. .683 1. .00 57. .19

916 0 ASN A 117 18, .930 59, .457 30. .586 1. .00 57. .78

917 N HIS A 118 19, .412 58, .423 32. .527 1. .00 54. .99

918 CA HIS A 118 18, .664 57. .212 32. .211 1. .00 53. .26

919 CB HIS A 118 18, .715 56. .235 33. .382 1. .00 52. .30

920 CG HIS A 118 18, .078 54. .916 33. .084 1. .00 52. .74

921 CD2 HIS A 118 18 .475 53 .897 32, .287 1. .00 52, .84

922 NDl HIS A 118 16 .867 54. .535 33 , .619 1. .00 53 , .15 923 CEl HIS A 118 16,.546 53..339 33..163 1..00 54..08

924 NE2 HIS A 118 17, .505 52. .929 32. ,353 1. .00 53. .10

925 C HIS A 118 17. .206 57. .505 31. ,865 1. .00 50. .91

926 0 HIS A 118 16, .667 56. .957 30. ,907 1. .00 48. .62

927 N ILE A 119 16. .571 58. .364 32. ,652 1. .00 47. .71

928 CA ILE A 119 15. .183 58. .719 32. ,393 1. .00 48. .45

929 CB ILE A 119 14. .677 59. .757 33. .414 1. .00 46, .52

930 CG2 ILE A 119 13. .306 60. .255 33. .017 1. .00 45. .78

931 CGI ILE A 119 14. .645 59. .123 34. .812 1 .00 44. .83

932 CDl ILE A 119 14. .442 60. .105 35. .936 1. .00 41. .87

933 C ILE A 119 15. .061 59. .274 30. .973 1 .00 49. .40

934 0 ILE A 119 14. .170 58 .876 30, .216 1 .00 48. .89

935 N ARG A 120 15. .969 60 .172 30, .599 1 .00 50. .32

936 CA ARG A 120 15. .940 60 .743 29, .253 1 .00 50. .12

937 CB ARG A 120 16. .973 61 .864 29, .116 1 .00 51. .23

938 CG ARG A 120 16. .609 63 .148 29, ,847 1, .00 54. .33

939 CD ARG A 120 17. .730 64 .173 29, .729 1, .00 57. .46

940 NE ARG A 120 17. .437 65. .427 30, .422 1, .00 60, .77

941 CZ ARG A 120 16, .487 66 .285 30, .060 1. .00 63, .53

942 NHl ARG A 120 15, .723 66 .035 29, .001 1, .00 64 , .44

943 NH2 ARG A 120 16, .297 67. .399 30, ,760 1, .00 65, .37

944 C ARG A 120 16, .195 59. .675 28, .190 1, .00 48, .79

945 0 ARG A 120 15, .692 59. .774 27, .072 1, .00 46, .87

946 N SER A 121 16, .966 58. .650 28. .534 1, .00 48, .76

947 CA SER A 121 17, .246 57, .600 27. .564 1, .00 51, .41

948 CB SER A 121 18, .438 56, .738 28. .007 1, .00 51, .88

949 OG SER A 121 18, .080 55, .807 29. .013 1, .00 54 , .21

950 C SER A 121 16, .012 56, .724 27. .398 1, .00 52, .65

951 0 SER A 121 15, .693 56, .279 26. .294 1, .00 53. .78

952 N VAL A 122 15.321 56.486 28.509 1.00 53.28

953 CA VAL A 122 14.117 55.665 28.512 1.00 52.04

954 CB VAL A 122 13.619 55.426 29.971 1.00 52.05

955 CGI VAL A 122 12.183 54.921 29.973 1.00 51.23

956 CG2 VAL A 122 14.529 54.415 30.662 1.00 49.69

957 C VAL A 122 13.039 56.354 27.680 1.00 52.03

958 O VAL A 122 12.329 55.704 26.905 1.00 49.87

959 N TRP A 123 12.934 57.673 27.838 1.00 51.28 960 CA TRP A 123 11..960 58..448 27..094 1..00 51..80

961 CB TRP A 123 11. .965 59. .897 27. ,571 1. ,00 53. .20

962 CG TRP A 123 11. .020 60. .793 26. ,807 1. .00 56. .24

963 CD2 TRP A 123 9. .642 61. .035 27. .110 1. .00 56, .64

964 CE2 TRP A 123 9, .143 61, .915 26. .119 1. .00 56, .36

965 CE3 TRP A 123 8, .779 60, .593 28. .122 1. .00 56, .19

966 CDl TRP A 123 11. .294 61, .515 25. .674 1. .00 56, .15

967 NEl TRP A 123 10, .171 62. .192 25. .256 1. .00 55, .36

968 CZ2 TRP A 123 7. .819 62, .359 26. .114 1. .00 56, .85

969 CZ3 TRP A 123 7. .461 61, .036 28. .115 1. .00 57, .03

970 CH2 TRP A 123 6. .995 61, .910 27. .117 1. .00 56, .46

971 C TRP A 123 12. .287 58, .397 25, .609 1. .00 52, .76

972 0 TRP A 123 11. .404 58, .233 24. .772 1. .00 53, .17

973 N LYS A 124 13. .568 58 .529 25 .286 1. .00 54 .85

974 CA LYS A 124 14. .002 58, .510 23 .895 1 .00 55 .66

975 CB LYS A 124 15. .507 58, .785 23 .794 1. .00 59 .33

976 CG LYS A 124 15. ,997 58 .953 22 .367 1. .00 61 .36

977 CD LYS A 124 17. .507 59, .019 22 .306 1. .00 64 .71

978 CE LYS A 124 17. .986 59. .074 20 .864 1. .00 64 .15

979 NZ LYS A 124 19, .345 58. .477 20. .753 1. .00 64 .94

980 C LYS A 124 13, .695 57. .162 23. .281 1. .00 53 .82

981 0 LYS A 124 13, ,235 57. .072 22. .140 1. .00 54 .06

982 N ASP A 125 13, .960 56, .109 24, .039 1. .00 51 .60

983 CA ASP A 125 13, .687 54 .772 23 .550 1. .00 50 .84

984 CB ASP A 125 14 .177 53 .737 24 .557 1 .00 50 .50

985 CG ASP A 125 13 .780 52 .340 24 .175 1 .00 52 .69

986 ODl ASP A 125 12, .638 51 .942 24 .468 1 .00 56 .75

987 OD2 ASP A 125 14 , .599 51 .638 23 .562 1. .00 53 .02

988 C ASP A 125 12, .194 54 .578 23, .256 1 .00 49 .84

989 0 ASP A 125 11, .833 53, .847 22, .336 1. .00 48 .10

990 N LEU A 126 11, .333 55, .246 24 , .026 1, .00 49 .54

991 CA LEU A 126 9, ,878 55, .148 23, .832 1, .00 48 .88

992 CB LEU A 126 9, .110 55. .857 24 , .968 1, .00 48, .16

993 CG LEU A 126 9 .043 55 .260 26 .388 1, .00 46 .66

994 CDl LEU A 126 8 .418 56 .272 27 .337 1 .00 44 .14

995 CD2 LEU A 126 8, .242 53 .968 26 .387 1 .00 44 .91

996 C LEU A 126 9, .464 55 .762 22, .501 1. .00 49 .17 997 O LEU A 126 8.600 55.233 21.810 1.00 50.15 998 N LEU A 127 10.082 56.884 22.149 1.00 49.97 999 CA LEU A 127 9.778 57.572 20.896 1.00 49.09

1000 CB LEU A 127 10.349 58.986 20.914 1.00 47.38

1001 CG LEU A 127 9.910 59.914 22.036 1.00 50.21

1002 CDl LEU A 127 10.704 61.206 21.941 1.00 50.48

1003 CD2 LEU A 127 8.415 60.193 21.935 1.00 51.55 1004 C LEU A 127 10.327 56.857 19.668 1.00 48.43 1005 0 LEU A 127 9.862 57.086 18.552 1.00 48.61 11000066 N GLU A 128 11.308 55.985 19.863 1.00 48.47 1007 CA GLU A 128 11.908 55.304 18.729 1.00 49.60

1008 CB GLU A 128 13.425 55.386 18.841 1.00 52.61

1009 CG GLU A 128 13.917 56.805 19.042 1.00 57.24

1010 CD GLU A 128 15.389 56.962 18.739 1.00 60.72 1011 OEl GLU A 128 16.227 56.429 19.504 1.00 63.46

1012 OE2 GLU A 128 15.704 57.621 17.726 1.00 62.42

1013 C GLU A 128 11.483 53.867 18.526 1.00 49.42 1014 O GLU A 128 11.494 53.363 17.401 1.00 51.37 1015 N ASP A 129 11.111 53.207 19.614 1.00 48.06 1016 CA ASP A 129 10.681 51.818 19.560 1.00 46.18 1017 CB ASP A 129 11.606 50.972 20.426 1.00 42.84 1018 CG ASP A 129 11.205 49.529 20.467 1.00 41.47

1019 ODl ASP A 129 11.961 48.746 21.065 1.00 39.58

1020 OD2 ASP A 129 10.140 49.173 19.916 1.00 41.64

1021 C ASP A 129 9.256 51.754 20.083 1.00 46.89 1022 0 ASP A 129 8.981 52.198 21.192 1.00 47.83 1023 N THR A 130 8.348 51.204 19.286 1.00 47.81 1024 CA THR A 130 6.949 51.120 19.689 1.00 47.78 1025 CB THR A 130 6.051 51.899 18.729 1.00 47.54 11002266 OGl THR A 130 6.218 51.380 17.402 1.00 48.93

1027 CG2 THR A 130 6.410 53.369 18.746 1.00 49.49

1028 C THR A 130 6.428 49.706 19.726 1.00 47.28

1029 O THR A 130 5.223 49.495 19.734 1.00 50.00 1030 N ASP A 131 7.317 48.730 19.757 1.00 46.81 11003311 CA ASP A 131 6.861 47.355 19.755 1.00 46.64

1032 CB ASP A 131 7.198 46.682 18.422 1.00 49.72

1033 CG ASP A 131 6.398 47.227 17.280 1.00 53.27 1034 ODl ASP A 131 5.185 46.920 17.222 1.00 57.85

1035 OD2 ASP A 131 6.980 47.964 16.447 1.00 56.85

1036 C ASP A 131 7.429 46.496 20.850 1.00 46.39

1037 O ASP A 131 6.767 45.562 21.304 1.00 47.88

1038 N THR A 132 8.646 46.793 21.283 1.00 42.60 1039 CA THR A 132 9.255 45.940 22.280 1.00 40.92

1040 CB THR A 132 10.771 46.220 22.416 1.00 41.76

1041 OGl THR A 132 11.324 46.503 21.122 1.00 39.51

1042 CG2 THR A 132 11.472 44.981 2222. .997799 1, .00 35, .81

1043 C THR A 132 8.605 45.976 2233. .665511 1. .00 39 .32

1044 O THR A 132 8.580 47.006 2244. .332200 1, .00 39 .21

1045 N PRO A 133 8.055 44.831 2244. .007799 1. .00 37 .88

1046 CD PRO A 133 7.927 43.575 2233. .331177 1, .00 33 .60

1047 CA PRO A 133 7.401 44.732 2255. .338866 1, .00 36 .33

1048 CB PRO A 133 7.033 43.256 2255. .447777 1, .00 34 .54

1049 CG PRO A 133 6.793 42.889 2244. .002299 1, .00 34 .48 1050 C PRO A 133 8.350 45.164 2266. .449988 1, .00 38 .56 1051 O PRO A 133 9.488 44.706 2266. .558822 1. .00 38, .39 1052 N ILE A 134 7.875 46.067 2277. .334400 1. .00 40, .80 1053 CA ILE A 134 8.664 46.563 28 .451 1. .00 42, .00 1054 CB ILE A 134 8.144 47.937 28 .900 1. .00 41, .93 1055 CG2 ILE A 134 8.778 48.328 3300. .221177 1. .00 42, .52

1056 CGI ILE A 134 8.409 48.967 2277. .779999 1. .00 40, .25

1057 CDl ILE A 134 7.778 50.321 2288. .005533 1. .00 41, .38

1058 C ILE A 134 8.579 45.567 2299. .660022 1. .00 43, .64

1059 O ILE A 134 7.526 44.984 2299. .884411 1. .00 45, .53

1060 N GLN A 135 9.691 45.381 3300. .330088 1. .00 44 , .01

1061 CA GLN A 135 9.793 44.442 3311. .442299 1. .00 41, .95

1062 CB GLN A 135 11.272 44.221 31 .750 1. .00 46, .49

1063 CG GLN A 135 11.546 43.154 32 .787 1. .00 51, .61

1064 CD GLN A 135 11.396 41.766 3322. .221122 1, .00 55 .53

1065 OEl GLN A 135 12.268 41.290 3311. .447766 1, .00 55 .14

1066 NE2 GLN A 135 10.277 41.110 3322. .552288 1 , .00 55, .77

1067 C GLN A 135 9.090 44.918 3322. .669955 1. .00 39 .79

1068 O GLN A 135 9.136 46.099 33 .015 1. .00 40, .85

1069 N THR A 136 8.466 43.998 33 .429 1, .00 37 .78

1070 CA THR A 136 7.783 44.342 3344. .668877 1, .00 34, .98 1071 CB THR A 136 6,.225 44..377 34..536 1,.00 34..86

1072 OGl THR A 136 5, .780 43. .186 33, .878 1, .00 35, .52

1073 CG2 THR A 136 5. .769 45. .597 33. .764 1 , .00 32, .35

1074 C THR A 136 8, .082 43. .352 35. .812 1, .00 34. .16

1075 0 THR A 136 8, .433 42. .202 35, .565 1. .00 35. .85

1076 N THR A 137 7. .947 43. .805 37, .052 1. .00 33. .03

1077 CA THR A 137 8, .151 42. .922 38, .192 1. .00 34 , .07

1078 CB THR A 137 9. .108 43. .537 39, .254 1. .00 34 , .83

1079 OGl THR A 137 10, .260 44. .092 38 .604 1 .00 36 .75

1080 CG2 THR A 137 9, .580 42 .468 40 .224 1 .00 27 .86

1081 C THR A 137 6, .783 42. .654 38 .837 1 .00 35 .42

1082 0 THR A 137 5, .929 43. .535 38 .901 1 .00 36 .25

1083 N ILE A 138 6, .578 41 .424 39 .294 1 .00 37 .62

1084 CA ILE A 138 5, .330 41. .028 39 .935 1 .00 36 .67

1085 CB ILE A 138 4, .671 39 .843 39 .194 1 .00 36. .68

1086 CG2 ILE A 138 5, .586 38 .630 39 .208 1 .00 32 .78

1087 CGI ILE A 138 3, .336 39 .497 39 .846 1 .00 35, .07

1088 CDl ILE A 138 2, .649 38. .349 39 .173 1 .00 35, .27

1089 C ILE A 138 5, .593 40, .617 41 .376 1 .00 38, .56

1090 0 ILE A 138 6, .327 39, .668 41 .633 1 .00 39, .41

1091 N MET A 139 5, .001 41, .344 42 .314 1 .00 39, .55

1092 CA MET A 139 5, .167 41, .045 43 .729 1 .00 42, .81

1093 CB MET A 139 5. .782 42, .242 44 .465 1 .00 43. .44

1094 CG MET A 139 7, .157 42, .707 43 .972 1 .00 45, .18

1095 SD MET A 139 8. .489 41. .606 44 .433 1. .00 49, .54

1096 CE MET A 139 8, .492 41, .825 46 .228 1. .00 46, .27

1097 C MET A 139 3. .817 40, .739 44 .371 1. .00 45. .49

1098 0 MET A 139 2. .753 41, .047 43 .820 1 , .00 44. .97

1099 N ALA A 140 3. .877 40, .135 45, .551 1. .00 47. .64

1100 CA ALA A 140 2. .687 39. .817 46, .330 1. .00 47. .40

1101 CB ALA A 140 2. .865 38. .474 47, .038 1. .00 42. .72

1102 C ALA A 140 2. .594 40. .947 47, .355 1. .00 48. .12

1103 0 ALA A 140 3. .535 41. .151 48. .113 1. .00 48. .07

1104 N LYS A 141 1. .489 41. .695 47. .370 1. .00 51. .02

1105 CA LYS A 141 1. .341 42. .787 48. .338 1. .00 52. , 93

1106 CB LYS A 141 0. .153 43. .699 47 .991 1. .00 54. .74

1107 CG LYS A 141 0. .220 44. .366 46. .620 1. .00 57. .89 1108 CD LYS A 141 •0.743 45.559 46.512 1.00 59.50 1109 CE LYS A 141 ■0.063 46.901 46.863 1.00 60.35

1110 NZ LYS A 141 0.433 47.003 48.273 1.00 59.71

1111 C LYS A 141 1.136 42.234 49.744 1.00 53.33

1112 0 LYS A 141 0.456 41.220 49.935 1.00 54.38 1113 N ASN A 142 1.744 42.891 50.723 1.00 52.78 1114 CA ASN A 142 1.600 42.481 52.114 1.00 53.29

1115 CB ASN A 142 2.957 42.521 52.842 1.00 54.40

1116 CG ASN A 142 3.916 41.428 52.372 1.00 56.07 1117 ODl ASN A 142 4.324 40.563 53.149 1.00 56.12

1118 ND2 ASN A 142 4.277 41.467 51.099 1.00 56.30

1119 C ASN A 142 0.633 43.475 52.755 1.00 52.58 1120 O ASN A 142 1. .024 44. .592 53 .094 1, .00 52 .74 1121 N GLU A 143 0, .633 43 .080 52 .888 1. .00 52 .06 1122 CA GLU A 143 1. .652 43 .943 53 .491 1. .00 50 .70

1123 CB GLU A 143 2. .730 44 .310 52 .473 1, .00 51 .66

1124 CG GLU A 143 2, .199 44, .755 51 .125 1, .00 53 .68 1125 CD GLU A 143 3, .306 44 .928 50 .094 1. .00 55 .38

1126 OEl GLU A 143 3, .715 46 .087 49 .842 1, .00 55 .57

1127 OE2 GLU A 143 3. .775 43 .900 49. .545 1, .00 54 .11

1128 C GLU A 143 2, .296 43, .231 54 .678 1. .00 49 .39 1129 0 GLU A 143 2, .439 42, .009 54. .683 1, .00 48 .13 1130 N VAL A 144 2, .686 44, .013 55. .676 1. .00 48 .66

1131 CA VAL A 144 3, .292 43, .484 56. .886 1, .00 50 .17 1132 CB VAL A 144 2, .841 44 , .309 58, .130 1. .00 50 .98

1133 CGI VAL A 144 3, .352 43, .667 59, .408 1. .00 51. .61 1134 CG2 VAL A 144 1. .327 44, .408 58, .166 1. .00 50. .12 1135 C VAL A 144 4. .817 43, .485 56, .817 1. .00 50, .12 1136 0 VAL A 144 5. .429 44 , .461 56, .375 1. .00 49, .81 11113377 N PHE A 145 5. .415 42, .380 57, .261 1. .00 49, .77

1138 CA PHE A 145 6. .872 42. .203 57, .289 1. .00 49. .35

1139 CB PHE A 145 7. .345 41. .348 56, .107 1. .00 46, .55

1140 CG PHE A 145 7. .085 41, .958 54 , .772 1. .00 45, .49

1141 CDl PHE A 145 6. .122 41 , .425 53 , .929 1. .00 44 , .36 1142 CD2 PHE A 145 7. .799 43 , .078 54 , .356 1. .00 45, .52

1143 CEl PHE A 145 5. .872 41. .999 52. .689 1. .00 44 , .31

1144 CE2 PHE A 145 7. .554 43. .661 53. .116 1. .00 43. .31 1145 CZ PHE A 145 -6,.591 43,.122 52..284 1..00 43,.21

1146 C PHE A 145 -7. .294 41, .488 58. .571 1. .00 50, .11

1147 O PHE A 145 -6. .456 41, .049 59. .363 1, .00 49, .87

1148 N CYS A 146 -8. .602 41, .364 58. .768 1, .00 52, .08 1149 CA CYS A 146 -9. .110 40, .651 59. .928 1. .00 55. .09

1150 CB CYS A 146 -10. .170 41, .469 60. .652 1. .00 55. .67

1151 SG CYS A 146 -10. .920 40, .572 62. .034 1, ,00 59, .01

1152 C CYS A 146 -9. .708 39. .332 59. .451 1. .00 56. .69

1153 0 CYS A 146 -10, .478 39 .302 58. .496 1. .00 56 .97 1154 N VAL A 147 -9, .333 38 .237 60. .105 1. .00 60, .28

1155 CA VAL A 147 -9, .842 36 .919 59, .733 1. .00 63 .09

1156 CB VAL A 147 -9, .398 35 .829 60, .733 1. .00 63, .29

1157 CGI VAL A 147 -10, .165 34 .540 60, .472 1. .00 62, .94

1158 CG2 VAL A 147 -7, .896 35 .584 60 .604 1. .00 62 .46 11115599 C VAL A 147 -11, .358 36 .915 59 .667 1. .00 65, .85 1160 O VAL A 147 -12, .037 37 .594 60 .439 1, .00 67, .06 1161 N GLN A 148 -11. .880 36 .136 58, .736 1, .00 68, .97

1162 CA GLN A 148 -13, .314 36 .025 58, .540 1. .00 72, .46

1163 CB GLN A 148 -13 .741 36 .983 57, .421 1, .00 73 , .97 1164 CG GLN A 148 -12 .986 36 .781 56, .098 1. .00 75, .77

1165 CD GLN A 148 -13 .248 37 .893 55, .086 1, .00 77, ,32

1166 OEl GLN A 148 -12 .805 37 .820 53, , 933 1. .00 76, .78

1167 NE2 GLN A 148 -13, .964 38 .931 55, .518 1. .0-0 77 , .13

1168 C GLN A 148 -13, .609 34. .567 58, .173 1. .00 73 , .98 1169 0 GLN A 148 -13, .463 34, .161 57, .015 1. .00 73. .40

1170 N PRO A 149 -14, .015 33, .757 59, .168 1. .00 75. .46

1171 CD PRO A 149 -14 , .248 34, .153 60, .569 1. .00 76. .06

1172 CA PRO A 149 -14, .329 32, .334 58. .970 1. .00 76. .31

1173 CB PRO A 149 -14 , .748 31, .867 60. .368 1. .00 76. .29 1174 CG PRO A 149 -14 , .064 32, .843 61. .294 1. .00 76. .88

1175 C PRO A 149 -15, .445 32, .123 57. .955 1. .00 77. .14

1176 O PRO A 149 -15, .322 31, .316 57. .028 1. .00 77. .09

1177 N GLU A 150 -16. .530 32. .867 58. .147 1. .00 77. .80

1178 CA GLU A 150 -17. .712 32. .789 57. .297 1. .00 79. .35 1179 CB GLU A 150 -18. .726 33. .842 57. .758 1. .00 80. .63

1180 CG GLU A 150 -19. .161 33, .660 59, .207 1. .00 83. .56

1181 CD GLU A 150 -19. .868 34 , .879 59. .770 1. .00 85. .14 1182 OEl GLU A 150 -20.882 35.304 59.176 1.00 87.18

1183 OE2 GLU A 150 -19.411 35.409 60.809 1.00 86.03

1184 C GLU A 150 ^•17.443 32.944 55.798 1.00 78.48

1185 O GLU A 150 -18.366 32.848 54.980 1.00 78.74 1186 N LYS A 151 -16.184 33.168 55.436 1.00 77.44

1187 CA LYS A 151 -15.822 33.346 54.036 1.00 76.00

1188 CB LYS A 151 -15.378 34.796 53.790 1.00 75.15

1189 CG LYS A 151 -16.309 35.856 54.408 1.00 75.85

1190 CD LYS A 151 -16.289 35.788 55.946 1.00 76.85 1191 CE LYS A 151 -17.290 36.720 56.624 1.00 76.64

1192 NZ LYS A 151 -17.270 36.511 58.110 1.00 75.50 1193 C LYS A 151 -14.711 32.372 53.649 1.00 75.39 1194 O LYS A 151 -14.489 32.107 52.465 1.00 76.40 1195 N GLY A 152 -14.020 31.835 54.650 1.00 74.57 11119966 CA GLY A 152 -12.949 30.889 54.378 1.00 74.46 1197 C GLY A 152 -11.700 31.095 55.222 1.00 73.49 1198 O GLY A 152 -10.747 30.305 55.149 1.00 73.14 1199 N GLY A 153 ^■11.700 32.156 56.025 1.00 71.36

1200 CA GLY A 153 •10.557 32.442 56.868 1.00 68.83

1201 C GLY A 153 -9.717 33.608 56.372 1.00 67.81

1202 O GLY A 153 -9.991 34.762 56.706 1.00 67.21 1203 N ARG A 154 -8.701 33.311 55.562 1.00 66.34

1204 CA ARG A 154 -7.801 34.345 55.048 1.00 64.34

1205 CB ARG A 154 -6.374 34.061 55.524 1.00 66.47 11220066 CG ARG A 154 -6.275 33.800 57.017 1.00 69.55 1207 CD ARG A 154 -4.848 33.907 57.528 1.00 72.60 1208 NE ARG A 154 -4.806 33.826 58.988 1.00 76.79 1209 CZ ARG A 154 -3.765 34.188 59.737 1.00 80.35

1210 NHl ARG A 154 -2.662 34.665 59.166 1.00 82.74 1211 NH2 ARG A 154 -3.825 34.078 61.062 1.00 80.94

1212 C ARG A 154 -7.797 34.505 53.527 1.00 61.61

1213 O ARG A 154 -7.816 33.522 52.787 1.00 60.31

1214 N LYS A 155 -7.778 35.752 53.067 1.00 58.69

1215 CA LYS A 155 -7.741 36.019 51.635 1.00 56.77

1216 CB LYS A 155 -8.424 37.348 51.297 1.00 56.88

1217 CG LYS A 155 -7.908 38.548 52.063 1.00 56.91

1218 CD LYS A 155 -8.315 39.846 51.387 1.00 57.32 1219 CE LYS A 155 -9.818 40.027 51.325 1.00 59.22

1220 NZ LYS A 155 ^■10.395 40.385 52.647 1.00 63.13

1221 C LYS A 155 -6.286 36.055 51.179 1.00 54.94

1222 O LYS A 155 -5.408 36.534 51.901 1.00 54.13

1223 N PRO A 156 -6.009 35.525 49.978 1.00 53.02

1224 CD PRO A 156 -6.924 34.820 49.064 1.00 53.03

1225 CA PRO A 156 -4.642 35.512 49.456 1.00 50.67

1226 CB PRO A 156 -4.772 34.721 48.153 1.00 51.56

1227 CG PRO A 156 -5.986 33.863 48.376 1.00 53.08 11222288 C PRO A 156 -4.156 36.931 49.217 1.00 48.67 1229 O PRO A 156 -4.946 37.861 49.144 1.00 48.46 1230 N ALA A 157 -2.849 37.096 49.098 1.00 48.49 1231 CA ALA A 157 -2.288 38.408 48.865 1.00 47.58 1232 CB ALA A 157 ^■0.785 38.364 49.047 1.00 49.00 11223333 C ALA A 157 2. .625 3388.. .885566 4477.. .445544 1. .00 47. .25 1234 O ALA A 157 2. .766 3388.. .003355 4466.. .555511 1. .00 47. .39 1235 N ARG A 158 2. .780 40. .159 47. .267 1. .00 47. .43

1236 CA ARG A 158 3. .052 40. .682 4455.. .993366 1. .00 49. .17

1237 CB ARG A 158 3. .647 42. .093 4466., .000044 1, .00 51 .55

1238 CG ARG A 158 5. .036 42. .166 4466.. .660066 1. .00 55 .44 1239 CD ARG A 158 5. .711 43, .476 46. .234 1. .00 61 .35 1240 NE ARG A 158 4. .957 44, .645 46. .689 1. .00 65 .71 1241 CZ ARG A 158 5. .293 45, .904 4466.. .442200 1. .00 67 .17

1242 NHl ARG A 158 -66...337733 46,.161 4455.,.669922 1, .00 69 .36 1243 NH2 ARG A 158 -44.. .555500 46, .906 46, .876 1 , .00 68, .08

1244 C ARG A 158 1. .707 40, .728 45, .205 1, .00 48 .27 1245 O ARG A 158 0. .644 40, .649 45, .831 1 , .00 46, .39 1246 N LEU A 159 1. .756 40, .843 43, .885 1 , .00 46, .26 1247 CA LEU A 159 0. .538 40, ,902 43, .101 1. .00 44 , .09 1248 CB LEU A 159 0. .607 39. .920 41, .935 1. .00 42, .40

1249 CG LEU A 159 0. .950 38. .490 42, .357 1. .00 44 , .20

1250 CDl LEU A 159 0, .781 37. .550 41. .182 1. .00 40, .92

1251 CD2 LEU A 159 0. .059 38. .064 43. .520 1. .00 43, .26

1252 C LEU A 159 -00.. .335566 42, .312 42, .587 1 , .00 44 , .74

1253 O LEU A 159 -11.. .332222 42 , .982 4422.. .222255 1. .00 45, .84

1254 N ILE A 160 0.889 42.770 42.586 1. .00 44. .10

1255 CA ILE A 160 1.202 44.099 42.103 1. .00 43. .65 1256 CB ILE A 160 1.781 44.979 43.260 1.00 43.84

1257 CG2 ILE A 160 2.958 44.294 43.912 1.00 45.14

1258 CGI ILE A 160 2.149 46.367 42.742 1.00 44.80

1259 CDl ILE A 160 0.963 47.316 42.601 1.00 45.69

1260 C ILE A 160 2.193 43.928 40.949 1.00 42.35

1261 0 ILE A 160 3.229 43.296 41.102 1.00 43.51

1262 N VAL A 161 1.837 44.445 39.778 1.00 41.73

1263 CA VAL A 161 2.691 44.351 38.600 1.00 41.40

1264 CB VAL A 161 1.940 43.698 37.424 1.00 39.27

1265 CGI VAL A 161 2.644 43.984 36.130 1.00 38.71 1266 CG2 VAL A 161 1.863 42.199 37.635 1.00 39.18 1267 C VAL A 161 3.109 45.770 38.247 1.00 43.95

1268 0 VAL A 161 2.254 46.655 38.107 1.00 42.83

1269 N PHE A 162 4.420 45.992 38.118 1.00 44.06

1270 CA PHE A 162 4.930 47.334 37.828 1.00 44.96

1271 CB PHE A 162 5.117 48.108 39.139 1.00 45.52

1272 CG PHE A 162 6.166 47.519 40.044 1.00 47.95

1273 CDl PHE A 162 7.353 48.205 40.300 1.00 49.08

1274 CD2 PHE A 162 6.003 46.247 40.591 1.00 49.31

1275 CEl PHE A 162 8.364 47.630 41.081 1.00 46.83

1276 CE2 PHE A 162 7.014 45.665 41.374 1.00 48.51

1277 CZ PHE A 162 8.194 46.362 41.613 1.00 46.49 1278 C PHE A 162 6.252 47.329 37.076 1.00 44.29 1279 0 PHE A 162 7.006 46.367 37.148 1.00 44.46 1280 N PRO A 163 6.541 48.416 36.340 1.00 44.43 1281 CD PRO A 163 5.582 49.478 35.984 1.00 44.43

1282 CA PRO A 163 7.772 48.573 35.566 1.00 45.37 1283 CB PRO A 163 7.328 49.450 34.412 1.00 44.32 1284 CG PRO A 163 6.411 50.399 35.103 1.00 44.48 1285 C PRO A 163 8.862 49.249 36.412 1.00 46.03 1286 O PRO A 163 8.607 49.698 37.531 1.00 46.54 1287 N ASP A 164 10.073 49.320 35.864 1.00 45.36 1288 CA ASP A 164 11.191 49.933 36.551 1.00 42.05 1289 CB ASP A 164 12.476 49.633 35.795 1.00 44.34 1290 CG ASP A 164 13.698 50.188 36.488 1.00 45.31 1291 ODl ASP A 164 14.060 51.362 36.228 1.00 43.13 1292 OD2 ASP A 164 14.278 49.443 37.307 1.00 44.62 1293 C ASP A 164 11..031 51..443 36..726 1..00 41..37

1294 0 ASP A 164 10. .376 52. .112 35. .929 1. .00 39. .52

1295 N LEU A 165 11. .648 51. .969 37. .778 1. .00 40. .68

1296 CA LEU A 165 11. .582 53. .389 38. .087 1. .00 41. .88

1297 CB LEU A 165 12. .603 53. .727 39. .172 1. .00 42. .21

1298 CG LEU A 165 12. .698 55. .193 39. .599 1. .00 42, .72

1299 CDl LEU A 165 11. .320 55. .750 39. .908 1. .00 43 , .49

1300 CD2 LEU A 165 13. .602 55, .294 40. .813 1. .00 42, .20

1301 C LEU A 165 11. .791 54. .304 36. .880 1. .00 42. .26

1302 0 LEU A 165 11. .167 55. .367 36. .785 1. .00 42. .44

1303 N GLY A 166 12. .670 53. .903 35. .963 1. .00 40. .29

1304 CA GLY A 166 12. .905 54. .717 34. .783 1. .00 39. .89

1305 C GLY A 166 11. .589 55. .001 34. .084 1. .00 41. .27

1306 0 GLY A 166 11. .160 56. .158 33. .932 1. .00 39. .71

1307 N VAL A 167 10. .941 53. .917 33, .673 1. .00 40. .94

1308 CA VAL A 167 9. .654 53. .976 33, .005 1. .00 41. .23

1309 CB VAL A 167 9. .110 52, .551 32, .767 1. .00 41. .29

1310 CGI VAL A 167 7. .732 52, .614 32. .118 1. .00 38, .53

1311 CG2 VAL A 167 10. .090 51, .769 31, .898 1. .00 38, .63

1312 C VAL A 167 8. .593 54, .789 33, .764 1. .00 42, ,10

1313 0 VAL A 167 7. .923 55, .634 33, .171 1. .00 42, .98

1314 N ARG A 168 8. .441 54, .550 35 .066 1, .00 41, .65

1315 CA ARG A 168 7, .420 55, .263 35 .840 1, .00 40, .56

1316 CB ARG A 168 7. .482 54, .859 37 .316 1. .00 40, .45

1317 CG ARG A 168 7, ,304 53, .361 37 .564 1. .00 40, .24

1318 CD ARG A 168 6. .754 53, .071 38 .967 1, .00 39, .59

1319 NE ARG A 168 7, .686 53, .401 40 .048 1. .00 40 .10

1320 CZ ARG A 168 8. .737 52, .659 40 .392 1. .00 38, .40

1321 NHl ARG A 168 9, .518 53, .046 41 .388 1. .00 37, .55

1322 NH2 ARG A 168 9. .000 51, .527 39 .753 1. .00 35, .98

1323 C ARG A 168 7, .492 56, .783 35 .711 1, .00 41 .47

1324 0 ARG A 168 6. .468 57 .449 35 .539 1. .00 42 .42

1325 N VAL A 169 8. .702 57 .334 35 .771 1. .00 43 .92

1326 CA VAL A 169 8. .882 58 .782 35 .655 1. .00 43 .53

1327 CB VAL A 169 10. .349 59 .184 35 .956 1. .00 45 .66

1328 CGI VAL A 169 10. .527 60, .682 35, .812 1. .00 46, .18

1329 CG2 VAL A 169 10. .721 58, .755 37, .367 1. .00 45, .99 1330 C VAL A 169 8..483 59..246 34..252 1..00 42..34

1331 0 VAL A 169 8. .032 60. .376 34. .069 1. .00 42. .57

1332 N CYS A 170 8. .654 58. .368 33. .266 1. .00 41. .49

1333 CA CYS A 170 8. .281 58. .689 31. .893 1. .00 43. .34

1334 CB CYS A 170 8. .859 57. .650 30. .919 1. .00 45. .62

1335 SG CYS A 170 10. .654 57. .846 30. .534 1. .00 48. .48

1336 C CYS A 170 6. .751 58. .736 31. .796 1. .00 44 , .20

1337 0 CYS A 170 6. .186 59, .603 31. .122 1. .00 42. .24

1338 N GLU A 171 6. ,090 57. .804 32. .487 1. .00 44. .97

1339 CA GLU A 171 4. .633 57. .759 32, .523 1. .00 44. .20

1340 CB GLU A 171 4. .148 56. .646 33, .462 1. .00 44. .64

1341 CG GLU A 171 3. .991 55. .287 32, .797 1. .00 43 , .95

1342 CD GLU A 171 3. .562 54. ,194 33, .764 1. .00 42, ,59

1343 OEl GLU A 171 4. .423 53. .652 34, .478 1, .00 37, .39

1344 OE2 GLU A 171 2, .353 53. .879 33 .814 1. .00 45, ,30

1345 C GLU A 171 4, .148 59. .114 33 .032 1. .00 44. .14

1346 0 GLU A 171 3, .216 59. .709 32, .474 1. .00 41, .60

1347 N LYS A 172 4 , .793 59. .607 34 .088 1 .00 44, .11

1348 CA LYS A 172 4. .414 60. .896 34 .652 1, .00 44 , .94

1349 CB LYS A 172 5. .328 61. .264 35 .815 1 .00 44 , .95

1350 CG LYS A 172 5, .201 60. .365 37 .017 1, .00 44 , .65

1351 CD LYS A 172 6. .022 60. .902 38 .162 1 .00 45, .12

1352 CE LYS A 172 5, .658 60. .222 39 .460 1, .00 47, .85

1353 NZ LYS A 172 5, .767 58. .742 39 .362 1, .00 48, .00

1354 C LYS A 172 4. .462 62, .015 33, .619 1, .00 45, .93

1355 0 LYS A 172 3. .533 62, .815 33, .518 1, .00 46. .90

1356 N MET A 173 5. .542 62, .065 32 .844 1, .00 46. .93

1357 CA MET A 173 5. .718 63 , .113 31 .840 1, .00 48. .08

1358 CB MET A 173 7. .123 63 , .026 31, .244 1, .00 50, .77

1359 CG MET A 173 8. .245 63 , .059 32, .277 1, .00 54 , .27

1360 SD MET A 173 9. .873 63, .047 31. .505 1, .00 56, .04

1361 CE MET A 173 10. .116 61. .302 31. .187 1, .00 53 , .87

1362 C MET A 173 4. .700 63. .075 30. .707 1, .00 47. .44

1363 0 MET A 173 4. .221 64. .111 30. .242 1, .00 46. .81

1364 N ALA A 174 4. .374 61. .869 30, .267 1, .00 46. .93

1365 CA ALA A 174 3. .448 61. .685 29, .168 1, .00 45. .62

1366 CB ALA A 174 3. .838 60. .451 28, .401 1. .00 44. .75 1367 C ALA A 174 1.976 61.593 29.536 1.00 46.74

1368 O ALA A 174 1.127 61.911 28.710 1.00 46.89

1369 N LEU A 175 1.663 61.184 30.763 1.00 45.48

1370 CA LEU A 175 0. .266 61. .000 31. .121 1, .00 44. .33 1371 CB LEU A 175 0, .034 59. .497 31, .077 1, .00 41. .29

1372 CG LEU A 175 0, .014 58. .836 29, .691 1, ,00 39. .51

1373 CDl LEU A 175 0, .288 57, .341 29, ,802 1, .00 35. .59

1374 CD2 LEU A 175 1, .358 59, .073 29, .004 1, .00 35. .99

1375 C LEU A 175 0. .280 61. .600 32. .423 1. .00 44. .79 1376 O LEU A 175 1. .494 61. .667 32. .605 1. .00 44. .08

1377 N TYR A 176 0. ,589 62. .041 33 , .321 1. .00 45. .26

1378 CA TYR A 176 0. .124 62. .609 34 , .581 1, .00 46. .84

1379 CB TYR A 176 1. .272 63. .263 35, ,336 1, .00 47. .76

1380 CG TYR A 176 0. .825 63. .887 36, .636 1, .00 49. .49 1381 CDl TYR A 176 0. .701 63. .120 37, .790 1, .00 49. .97

1382 CEl TYR A 176 0, .237 63. .678 38, .974 1. .00 50. .97

1383 CD2 TYR A 176 0, .472 65, .239 36, .699 1. .00 50. .60

1384 CE2 TYR A 176 0, .009 65, .807 37, .877 1, .00 49. .72

1385 CZ TYR A 176 0. .106 65, .023 39, .010 1. .00 51. .56 1386 OH TYR A 176 0. .553 65, .584 40, .188 1. .00 55, ,40

1387 C TYR A 176 0, .984 63. .646 34 , .421 1. .00 48. .33

1388 0 TYR A 176 1. .955 63. .665 35, .180 1, .00 48. .63

1389 N ASP A 177 0, .828 64, .523 33, .441 1, .00 50. .00

1390 CA ASP A 177 1. .807 65, .571 33, .208 1. .00 50. .88 1391 CB ASP A 177 1. .251 66, .563 32, .200 1. .00 51. .54

1392 CG ASP A 177 2, .000 67, .858 32, .205 1, .00 51, .66

1393 ODl ASP A 177 2. .241 68, .397 31, .103 1. .00 53 , .00

1394 OD2 ASP A 177 2, .335 68, .336 33, .312 1, .00 51. .06

1395 C ASP A 177 3, .129 64 , .989 32, .696 1. .00 50. .80 1396 O ASP A 177 4, .215 65, .468 33, .028 1, .00 51. .88

1397 N VAL A 178 3. .023 63 , .955 31, .877 1. .00 49. .67

1398 CA VAL A 178 4. ,193 63 , .293 31, .328 1. .00 48, .27

1399 CB VAL A 178 3. .756 62, .259 30, .259 1, .00 48. .99

1400 CGI VAL A 178 4.957 61.478 29.736 1.00 46.89 1401 CG2 VAL A 178 3.043 62.980 29.120 1.00 49.00

1402 C VAL A 178 -4.994 62.593 32.438 1.00 48.08

1403 O VAL A 178 -6.146 62.945 32.703 1.00 47.48 1404 N VAL A 179 -4.370 61.619 33.096 1.00 45.78

1405 CA VAL A 179 -5.027 60.869 34.152 1.00 44.37

1406 CB VAL A 179 -4.088 59.773 34.731 1.00 42.75

1407 CGI VAL A 179 -3.588 58.880 33.617 1.00 40.68

1408 CG2 VAL A 179 -2.935 60.396 35.478 1.00 40.12

1409 C VAL A 179 -5.549 61.731 35.303 1.00 45.42 1410 O VAL A 179 -6.266 61.240 36.171 1.00 46.92 1411 N SER A 180 -5.206 63.013 35.312 1.00 45.30 1412 CA SER A 180 -5.655 63.895 36.383 1.00 45.88 1413 CB SER A 180 -4.489 64.736 36.915 1.00 45.99 1414 OG SER A 180 -3.469 63.926 37.469 1.00 48.15 1415 C SER A 180 -6.738 64.837 35.907 1.00 46.98 1416 O SER A 180 -7.269 65.624 3366..669911 1.00 48.20 1417 N THR A 181 -7.072 64.759 34.625 1.00 47.34 1418 CA THR A 181 -8.060 65.668 34.071 1.00 46.33 1419 CB THR A 181 -7.328 66.861 33.380 1.00 46.92

1420 OGl THR A 181 -7.128 67.907 34.341 1.00 46.85

1421 CG2 THR A 181 -8.125 67.405 32.199 1.00 47.77

1422 C THR A 181 -9.086 65.057 33.120 1.00 45.53

1423 O THR A 181 ^■10.228 65.504 33.077 1.00 44.43

1424 N LEU A 182 -8.680 64.040 32.365 1.00 45.98

1425 CA LEU A 182 -9.572 63.394 31.404 1.00 46.70

1426 CB LEU A 182 -8.815 62.317 30.613 1.00 45.42

1427 CG LEU A 182 -9.592 61.678 29.453 1.00 46.19

1428 CDl LEU A 182 -9.929 62.746 28.426 1.00 45.70

1429 CD2 LEU A 182 -8.777 60.571 28.805 1.00 46.52

1430 C LEU A 182 ^■10.828 62.783 32.034 1.00 47.95

1431 O LEU A 182 ^•11.924 62.897 31.474 1.00 47.27

1432 N PRO A 183 ^■10.686 62.123 33.201 1.00 49.26

1433 CD PRO A 183 -9.435 61.802 33.910 1.00 50.06

1434 CA PRO A 183 ^■11.826 61.500 33.885 1.00 49.40

1435 CB PRO A 183 ^■11.210 60.995 35.182 1.00 48.44

1436 CG PRO A 183 -9.843 60.610 34.746 1.00 50.21

1437 C PRO A 183 ^■13.021 62.418 34.130 1.00 50.02

1438 O PRO A 183 ^•14.099 62.185 33.583 1.00 49.86

1439 N GLN A 184 ^•12.839 63.459 34.938 1.00 50.03

1440 CA GLN A 184 ^•13.951 64.361 35.228 1.00 52.80 1441 CB GLN A 184 -13.549 65.413 36.269 1.00 53.81

1442 CG GLN A 184 -14.624 66.469 36.494 1.00 57.01

1443 CD GLN A 184 -14.302 67.414 37.635 1.00 60.28

1444 OEl GLN A 184 -14.999 68.413 37.841 1.00 62.44

1445 NE2 GLN A 184 -13.247 67.103 38.391 1.00 59.73

1446 C GLN A 184 -14.502 65.063 33.988 1.00 52.97

1447 O GLN A 184 -15.631 65.568 34.001 1.00 52.70

1448 N ALA A 185 -13.708 65.092 32.923 1.00 52.26

1449 CA ALA A 185 14.122 65.741 31.692 1.00 52.02

1450 CB ALA A 185 12.900 66.137 30.885 1.00 53.69

1451 C ALA A 185 ^■15.024 64.836 30.870 1.00 51.56

1452 0 ALA A 185 ^■15.965 65.300 30.225 1.00 52.54

1453 N VAL A 186 ^■14.730 63.541 30.892 1.00 50.68 1454 CA VAL A 186 ^■15.519 62.571 30.149 1.00 50.70 1455 CB VAL A 186 ^■14.675 61.320 29.780 1.00 50.72

1456 CGI VAL A 186 ^■15.573 60.206 2299..227711 1.00 47.72

1457 CG2 VAL A 186 -13.650 61.679 28.717 1.00 48.92

1458 C VAL A 186 -16.760 62.109 30.911 1.00 51.74

1459 O VAL A 186 -17.843 62.017 30.327 1.00 52.11

1460 N MET A 187 -16.616 61.839 32.209 1.00 52.26

1461 CA MET A 187 -17.744 61.341 32.996 1.00 53.25

1462 CB MET A 187 -17.350 60.019 33.677 1.00 54.07

1463 CG MET A 187 -15.946 59.965 34.232 1.00 56.90

1464 SD MET A 187 ^■15.414 58.280 34.652 1.00 60.92

1465 CE MET A 187 ^•14.827 57.712 33.096 1.00 56.29

1466 C MET A 187 18.428 62.276 34.002 1.00 52.03

1467 O MET A 187 ^■19.322 61.858 34.738 1.00 53.20

1468 N GLY A 188 ^■18.024 63.538 34.021 1.00 49.47

1469 CA GLY A 188 -18. .640 64. .500 34 .919 1. .00 46, .53

1470 C GLY A 188 -18. .882 64, .115 36 .368 1, .00 45, .57

1471 O GLY A 188 -17. .997 63, .607 37 .054 1. .00 46, .40

1472 N SER A 189 -20, .101 64, ,378 36 .831 1. .00 44 , .06

1473 CA SER A 189 -20, .510 64 , .112 38 .205 1, .00 40. .32

1474 CB SER A 189 -21. .948 64 , .578 38 .412 1. .00 38, .39

1475 OG SER A 189 -22, .808 63, .974 37 .474 1, .00 38. .74

1476 C SER A 189 -20. .377 62. .658 38, .603 1. .00 40. .53

1477 O SER A 189 -20. .348 62. .331 39, .796 1. .00 40. .56 1478 N SER A 190 -20.293 61.786 37.607 1..00 40,.09

1479 CA SER A 190 -20.150 60.365 37.867 1. .00 40, .84

1480 CB SER A 190 -20.615 59.557 36.653 1, .00 41, .39

1481 OG SER A 190 -22.004 59.735 36.438 1. .00 42, .25

1482 C SER A 190 -18.725 59.955 38.255 1. .00 42, .15

1483 O SER A 190 -18.517 58.824 38.705 1 , .00 44, .47 1484 N TYR A 191 -17.749 60.853 38.086 1. .00 41, .36

1485 CA TYR A 191 -16.362 60.540 38.457 1 , .00 42, .68

1486 CB TYR A 191 -15.355 61.388 37.657 1, .00 41 .52

1487 CG TYR A 191 -13.890 61.087 37.967 1, .00 37, .80

1488 CDl TYR A 191 -13.389 59.798 37.848 1. .00 36, .64

1489 CEl TYR A 191 -12.056 59.508 38.124 1 .00 35 .80

1490 CD2 TYR A 191 -13.011 62.097 38.372 1, .00 36, .38

1491 CE2 TYR A 191 -1111.. .667722 61. .824 38, .647 11 ,, ..0000 3355,, ..1166

1492 CZ TYR A 191 -1111., .119988 60. .519 38 .524 11,, ..0000 3366,, ..9900 1493 OH TYR A 191 -9. .882 60. .207 38, .824 1, .00 33. .28

1494 C TYR A 191 16. .181 60. .787 39 .950 1, .00 44. .06 1495 0 TYR A 191 16. .050 61. .926 40 .393 1 .00 45 .50 1496 N GLY A 192 16. .159 59, .696 40 .713 1 .00 46. .42

1497 CA GLY A 192 16. .049 59, .772 42, .163 1, .00 47, .12 1498 C GLY A 192 14, .844 60, .381 42 .853 1 .00 47 .16

1499 O GLY A 192 14 , .976 60. .859 43. .985 1, .00 49, .30

1500 N PHE A 193 13. .680 60. .384 42, ,205 1, .00 46, .52

1501 CA PHE A 193 12. .474 60, .916 42, .845 1, .00 44 , .70

1502 CB PHE A 193 11. .218 60. .381 42, .146 1. .00 42, .69

1503 CG PHE A 193 11. .001 58. .897 42, .329 1, .00 39, .79

1504 CDl PHE A 193 11, .041 58, .033 41 .239 1 .00 37 .62

1505 CD2 PHE A 193 10, .735 58. .366 43, .590 1, .00 39, .21

1506 CEl PHE A 193 10, .814 56. .661 41, .399 1, .00 37, .23

1507 CE2 PHE A 193 10. .510 56. .989 43, .760 1, .00 36, .31

1508 CZ PHE A 193 10. .549 56. .141 42, .663 11 ,. .0000 3366,. .2200

1509 C PHE A 193 • 1122...440011 62..436 42,.950 11...0000 4444...7799

1510 O PHE A 193 ^■ 1111...449922 62..972 43..591 11,..0000 4433...9922

1511 N GLN A 194 ^• 1133...336622 6633...11228! 42..343 11...0000 4433...3344

1512 CA GLN A 194 ^■ 1133...338855 6644...558833 42,.397 11,..0000 4422...9922

1513 CB GLN A 194 ^■ 14 . 182 65 . 151 41 . 231 1.00 42.10

1514 CG GLN A 194 ^■ 15 . 678 64 . 926 41 . 375 1.00 44.24 1515 CD GLN A 194 ■16.457 65.366 40.159 1.00 45.18

1516 OEl GLN A 194 •16.650 66.564 39.924 1.00 46.08

1517 NE2 GLN A 194 ■16.907 64.396 39.366 1.00 43.99

1518 C GLN A 194 •14.046 65.034 43.689 1.00 43.94

1519 O GLN A 194 ■14.036 66.217 44.020 1.00 46.92

1520 N TYR A 195 ■14.622 64.086 44.414 1.00 44.36

1521 CA TYR A 195 ■15.322 64.392 45.655 1.00 43.78

1522 CB TYR A 195 ■16.636 63.604 45.721 1.00 42.91

1523 CG TYR A 195 •17.576 63.812 44.559 1.00 42.02

1524 CDl TYR A 195 18.004 62.737 43.786 1.00 40.16

1525 CEl TYR A 195 ^■18.913 62.915 42.751 1.00 42.46

1526 CD2 TYR A 195 ^■18.079 65.080 44.262 1.00 42.73

1527 CE2 TYR A 195 ^•18.993 65.270 43.226 1.00 41.52

1528 CZ TYR A 195 ^■19.406 64.186 42.477 1.00 43.05 1529 OH TYR A 195 ^•20.318 64.-371 41.467 1.00 43.66 1530 C TYR A 195 ^■14.545 64.090 46.927 1.00 43.85 1531 O TYR A 195 ^■13.738 63.163 46.980 1.00 44.43 1532 N SER A 196 -14.802 64.884 47.957 1.00 43.80 1533 CA SER A 196 -14.198 64.639 49.259 1.00 45.09 1534 CB SER A 196 -13.970 65.949 50.013 1.00 43.98

1535 OG SER A 196 -15.205 66.554 50.363 1.00 46.52

1536 C SER A 196 -15.309 63.834 49.948 1.00 45.86

1537 O SER A 196 ■16.457 63.875 49.498 1.00 43.32 1538 N PRO A 197 -14.989 63.084 51.023 1.00 46.98 1539 CD ^• PRO A 197 -13.672 62.914 51.668 1.00 46.82

1540 CA PRO A 197 -16.018 62.301 51.719 1.00 47.79

1541 CB PRO A 197 -15.372 62.019 53.065 1.00 48.34

1542 CG PRO A 197 -13.933 61.799 52.678 1.00 48.59

1543 C PRO A 197 -17.331 63.075 51.846 1.00 48.76

1544 O PRO A 197 -18.399 62.577 51.473 1.00 48.38

1545 N LYS A 198 -17.235 64.303 52.345 1.00 50.40

1546 CA LYS A 198 -18.396 65.168 52.517 1.00 53.02

1547 CB LYS A 198 -17.948 66.520 53.074 1.00 55.93

1548 CG LYS A 198 -19.083 67.411 53.569 1.00 59.25

1549 CD LYS A 198 -18.557 68.794 53.960 1.00 62.82

1550 CE LYS A 198 -19.572 69.576 54.784 1.00 63.88

1551 NZ LYS A 198 ^■19.818 68.925 56.107 1.00 65.11 1552 C LYS A 198 19..153 65,.378 51..199 1..00 53,.08 1553 O LYS A 198 20. .375 65, .259 51. .147 1. .00 54, .01 1554 N GLN A 199 - 1188.. .442277 65, .692 50. .132 1. .00 53, .22

1555 CA GLN A 199 - 1199.. .005500 65, .908 48. .828 1. .00 52, .12 1556 CB GLN A 199 - 1188.. .002266 66, .509 47. .873 1. .00 52, .66

1557 CG GLN A 199 - 1177,. .448822 67, .832 48. .365 1. .00 53, .58

1558 CD GLN A 199 - 1166,. .446699 6688,. .444433 47. .416 1. .00 54, .21

1559 OEl GLN A 199 - 1155,. .335544 67, .933 47. .261 1. .00 53, .35

1560 NE2 GLN A 199 - 1166,. .885555 6699,. .553399 46, .768 1. .00 52, .51 1561 C GLN A 199 - 1199,. .666644 64, .635 48, .218 1. .00 51, .17

1562 O GLN A 199 - 2200,. .668844 64, .704 47, .529 1. .00 49, .79

1563 N ARG A 200 - 1199,. ,004422 6633. .448822 48, .465 1. .00 50, .17

1564 CA ARG A 200 - 1199.. .555566 62 .213 47, .955 1. .00 48, .37

1565 CB ARG A 200 18. .602 61 .067 48, .291 1. .00 45, .76 1566 CG ARG A 200 19, .032 59 .712 47 .736 1. .00 41, .36

1567 CD ARG A 200 18, .108 58 .622 48 .233 1. .00 38, .71

1568 NE ARG A 200 ^• 1188,. .552211 57 .290 47 .804 1, .00 37, .65

1569 CZ ARG A 200 ^■ 1188,. .441166 56 .829 46 .563 1, .00 38, .74

1570 NHl ARG A 200 ^■ 1177,. .991100 57 .587 45 .609 1, .00 40, .23 1571 NH2 ARG A 200 ^■ 1188,. .881166 55 .601 46 .274 1. .00 39, .46

1572 C ARG A 200 ^■ 2200,. .990099 61 .948 48 .614 1. .00 49, .45

1573 O ARG A 200 ^■ 2211,. .888844 61 .583 47 .949 1, .00 48, .31

1574 N VAL A 201 ^■ 2200,. .995555 6622. .113300 49 .929 1. .00 49, .07

1575 CA VAL A 201 ^■ 2222,. .118888 6611. .992288 50 .666 11,. .0000 5500,. .0022 1576 CB VAL A 201 -21.988 62.202 52.165 1.00 50.59

1577 CGI VAL A 201 -23.327 62.253 52.870 1.00 51.35

1578 CG2 VAL A 201 -21.115 61.117 52.773 1.00 51.45 1579 C VAL A 201 -23.245 62.873 50.109 1.00 50.69 1580 O VAL A 201 -24.362 62.458 49.808 1.00 50.54 1581 N GLU A 202 -22.889 64.144 49.963 1.00 51.03

1582 CA GLU A 202 -23.828 65.11 49.431 1.00 52.76

1583 CB GLU A 202 ^■23.160 66.495 49.297 1.00 54.04

1584 CG GLU A 202 ^■23.913 67.462 48.380 1.00 56.31

1585 CD GLU A 202 -23.289 68.855 48.308 1.00 58.64 1586 OEl GLU A 202 ^■22.043 68.964 48.194 1.00 58.95

1587 OE2 GLU A 202 -24.055 69.845 48.349 1.00 59.71

1588 C GLU A 202 -24.356 64.662 48.074 1.00 52.12 1589 O GLU A 202 25.548 64,.781 47..789 1,.00 52.41 1590 N PHE A 203 23 .469 64 , .129 47, .239 1, .00 51. .75 1591 CA PHE A 203 23, .870 63 , .671 45. .908 1. .00 49. .82 1592 CB PHE A 203 22, .645 63. .307 45. .070 1. .00 48, .04 1593 CG PHE A 203 22 .981 62. .929 43, .664 1, .00 46 .46 1594 CDl PHE A 203 22, .863 61. .610 43. .236 1. .00 46, .11 1595 CD2 PHE A 203 23, .462 63. .884 42. .775 1. .00 44, .64 1596 CEl PHE A 203 23. .223 61. .244 41. .940 1. .00 42, .81 1597 CE2 PHE A 203 23 .823 63 .529 41. .483 1, .00 43 .57 1598 CZ PHE A 203 23 .701 62 .201 41. .066 1, .00 43 .24 1599 C PHE A 203 24, .807 62. .474 45. .967 1, .00 49, .36 1600 O PHE A 203 25, .839 62, .441 45. .289 1. .00 48, .09 1601 N LEU A 204 24 .434 61 .487 46. .772 1. .00 49 .31 1602 CA LEU A 204 25 .243 60, .289 46. .936 11.. .0000 4499,. .1199 1603 CB LEU A 204 ^■ 2244.,.553355 5599.,.330077 47..880 11...0000 4477,..6699 1604 CG LEU A 204 ^■ 2233.,.333388 58,,542 47..314 11...0000 4455,..4466

1605 CDl LEU A 204 22 .589 57. .850 48. .431 1, .00 44 .06

1606 CD2 LEU A 204 23 .822 57 .536 46 .287 1, .00 44 .76

1607 C LEU A 204 - 2266..663344 60.644 47..481 11,..0000 5500,..1133 1608 O LEU A 204 - 2277. .665566 60, .167 46. .969 1, .00 50, .73 1609 N VAL A 205 - 2266. .667722 61 .492 48 .507 1, .00 48 .72 1610 CA VAL A 205 27 .934 61, .890 49, .113 11,. .0000 4488,. .0000 1611 CB VAL A 205 27 .695 62, .723 50, .380 11.. .0000 4477,. .5588 1612 CGI VAL A 205 29 .017 63, .156 5500,. .997766 11,. .0000 4488,. .7755 1613 CG2 VAL A 205 26 .921 61, .904 5511,. .339911 11,. .0000 4477,. .2200 1614 C VAL A 205 28, .854 62, .662 48, .170 11,. .0000 4477 . .7700 1615 0 VAL A 205 30 .037 62, ,342 48, .060 11,. .0000 4499,. .4455 1616 N ASN A 206 28 .322 63 .670 47 .489 1, .00 46 .34

1617 CA ASN A 206 29 .130 64, .464 46, .569 1, .00 44 .93

1618 CB ASN A 206 28, .325 65, .651 46, .036 11,. .0000 4455,. .4477

1619 CG ASN A 206 27, .999 66. .676 47, .109 11.. .0000 4499.. .5566

1620 ODl ASN A 206 27 .212 67, .597 46, .878 11,. .0000 5533 . .7788

1621 ND2 ASN A 206 - 2288,..660066 66..533 48,.283 ^' ^'11...0000 4499,..3311

1622 C ASN A 206 - 2299,..665588 6633...664466 45..388 11...0000 4444...8866

1623 O ASN A 206 - 3300,..776633 63..881 44..913 11...0000 4444 , ..8899

1624 N THR A 207 - 2288..887711 6622...669911 44..908 11,..0000 4444 ..7777

1625 CA THR A 207 -2299.,.229911 61..878 43..770 11 , ..0000 4455,..9922 1626 CB THR A 207 -28.124 61.024 43.228 1.00 45.53

1627 OGl THR A 207 -27.041 61.883 42.844 1.00 45.45

1628 CG2 THR A 207 -28.565 60.221 42.032 1.00 42.56

1629 C THR A 207 -30.430 60.956 4444..117733 1.00 47.42 1630 O THR A 207 -31.362 60.712 43.408 1.00 48.96 1631 N TRP A 208 -30.339 60.452 45.391 1.00 48.08 1632 CA TRP A 208 -31.341 59.558 45.941 1.00 50.40 1633 CB TRP A 208 -30.865 59.062 47.310 1.00 49.09 1634 CG TRP A 208 -31.705 58.004 47.921 1.00 47.68 1635 CD2 TRP A 208 -31.683 56.611 47.601 1.00 47.50

1636 CE2 TRP A 208 ^■32.599 55.970 48.463 1.00 47.32

1637 CE3 TRP A 208 -30.978 55.842 46.669 1.00 45.92

1638 CDl TRP A 208 -32.610 58.154 48.928 1.00 47.43 1639 NEl TRP A 208 -33.150 56.935 49.264 1. .00 47. .87

1640 CZ2 TRP A 208 -32.829 54.594 48.423 1. .00 46, .90

1641 CZ3 TRP A 208 -31.206 54.469 46.627 1. .00 47. .44

1642 CH2 TRP A 208 -32.125 53.861 47.500 1 , .00 47. .65 1643 C TRP A 208 -32.680 60.282 46.077 1, .00 52 .14 1644 O TRP A 208 -33.703 59.833 45.545 1. .00 52. .14 1645 N LYS A 209 -32.658 61.407 46.787 1 , .00 52. .30 1646 CA LYS A 209 -33.857 62.201 47.016 1, .00 54 .34 1647 CB LYS A 209 -33.552 63.340 47.994 1. .00 54, .62 1648 CG LYS A 209 -33.191 62.845 49.382 1, .00 56, .42 1649 CD LYS A 209 -33.085 63.975 50.388 1, .00 58 .04 1650 CE LYS A 209 -32.791 63.417 51.773 1 , .00 60, .32 1651 NZ LYS A 209 -32.772 64.473 52.825 1, .00 61, .24 1652 C LYS A 209 -34.481 62.762 45.742 1, .00 54 .56 1653 O LYS A 209 -35.696 62.922 45.672 1. .00 55, .70 1654 N ALA A 210 -33.656 63.052 44.739 1, .00 55, .31

1655 CA ALA A 210 -34.142 63.594 43.471 1, .00 55, .73

1656 CB ALA A 210 -32.972 63.972 42.581 1. .00 55, .59

1657 C ALA A 210 -35.029 62.597 42.743 1. .00 56, .31

1658 O ALA A 210 -35.747 62.958 41.812 1.00 57.52

1659 N LYS A 211 -34.961 61.339 43.164 1.00 56.82

1660 CA LYS A 211 -35.753 60.277 42.563 1.00 56.63

1661 CB LYS A 211 -34.994 58.948 42.657 1.00 57.53

1662 CG LYS A 211 -34.225 58.550 41.392 1.00 58.22 1663 CD LYS A 211 ■32.982 59.383 41.136 1..00 57, ,24 1664 CE LYS A 211 ■32.345 58.934 39.835 1. .00 58, .10 1665 NZ LYS A 211 ^■31.082 59.633 39.495 1, .00 57. .98 1666 C LYS A 211 ^■37.094 60.163 43.283 1, .00 57, .23 1667 O LYS A 211 -37.184 60.459 44.475 1, .00 56. .62 1668 N LYS A 212 -38.134 59.750 42.563 1, .00 56. .45 1669 CA LYS A 212 39.455 59.596 43.177 1, .00 57. .66 1670 CB LYS A 212 40.542 59.411 42.108 1. .00 61. .09 1671 CG LYS A 212 -40.544 60.472 41.003 1. .00 64 , .88 1672 CD LYS A 212 -41.172 59.903 39.726 1 .00 69, .16 1673 CE LYS A 212 -40.759 60.680 38.472 1. .00 71, .28 1674 NZ LYS A 212 -41.246 60.024 37.213 1. .00 71, .56 1675 C LYS A 212 -39.396 58.366 44.075 1. .00 55, .84 1676 O LYS A 212 -39.598 58.460 45.282 1, .00 56, .08 1677 N CYS A 213 -39.124 57.211 43.481 1. .00 54 , .28 1678 CA CYS A 213 -38.998 55.978 44.247 1. .00 53. .96 1679 CB CYS A 213 -40.098 54.973 43.876 1, .00 56. .29

1680 SG CYS A 213 ^■40.143 53.458 44.927 1. .00 61. .48 1681 C CYS A 213 •37.630 55.402 43.914 1. .00 52. .48 1682 O CYS A 213 -37.506 54.529 43.052 1, .00 52. .01 1683 N PRO A 214 -36.583 55.889 44.599 1, .00 51. .54 1684 CD PRO A 214 -36.715 56.779 45.764 1. .00 50. .89

1685 CA PRO A 214 -35.182 55.478 44.430 1. .00 50. .99

1686 CB PRO A 214 ^•34.454 56.265 45.519 1. .00 50. .43

1687 CG PRO A 214 ^■35.495 56.400 46.579 1. .00 52. .29

1688 C PRO A 214 -34.898 53.989 44.547 1. .00 49. .74

1689 O PRO A 214 -35.538 53.284 45.318 1.00 51.34

1690 N MET A 215 -33.922 53.530 43.772 1.00 47.48

1691 CA MET A 215 -33.490 52.142 43.784 1.00 45.51

1692 CB MET A 215 -34.291 51.308 42.787 1.00 44.70

1693 CG MET A 215 -33.890 49.825 42.758 1.00 44.44

1694 SD MET A 215 -32.308 49.455 41.936 1.00 47.20

1695 CE MET A 215 -32.881 49.054 40.262 1.00 39.88

1696 C MET A 215 -32.019 52.113 43.395 1.00 44.61

1697 O MET A 215 -31.657 52.511 42.289 1.00 45.66

1698 N GLY A 216 -31.172 51.636 44.298 1.00 42.74

1699 CA GLY A 216 ^■29.755 51.579 43.997 1.00 40.69 1700 C GLY A 216 -29.127 50.210 44.137 1.00 39.07

1701 0 GLY A 216 -29.704 49.306 4444.. .774444 1. .00 37 .47

1702 N PHE A 217 -27.944 50.059 4433.. .554466 1, .00 38 .64

1703 CA PHE A 217 -27.182 48.817 4433.. .661188 1. .00 38. .08

1704 CB PHE A 217 -27.716 47.765 4422., .665500 1, .00 38 .15

1705 CG PHE A 217 -27.546 48.123 4411.. .220022 1. .00 40. .10

1706 CDl PHE A 217 -28.357 49.077 4400.. .660066 1. .00 43 .25

1707 CD2 PHE A 217 -26.585 47.489 40. .425 1. .00 41. .46

1708 CEl PHE A 217 ^■28.215 49.388 39, .258 1. .00 43. .93

1709 CE2 PHE A 217 ■26.437 47.796 39, .078 1, .00 41 .06

1710 CZ PHE A 217 -27.252 48.746 38, .495 1. .00 42. .37

11771111 C PHE A 217 -25.712 49.036 43 .313 1. .00 39 .68

11771122 0 PHE A 217 -25.335 49.864 42, .474 1, .00 40, .90

11771133 N SER A 218 -24.882 48.275 44 .010 1, .00 39, .21

11771144 CA SER A 218 -23.452 48.326 43, .813 1. .00 37. .20

1715 CB SER A 218 -22.729 48.168 45 .148 1. .00 36, .41

1716 OG SER A 218 -23.057 46.933 45, .757 1. .00 37, .24

11771177 C SER A 218 -23.150 47.147 4422,. .991133 1. .00 36, .38

11771188 0 SER A 218 -23.806 46.111 4433 ,. .000066 1. .00 36. .31

11771199 N TYR A 219 -22.190 47.309 4422,. .001133 1. .00 37, .91

1720 CA TYR A 219 -21.821 46.211 41 .130 1, .00 38, .40

1721 CB TYR A 219 -21.936 46.605 39, .659 1. .00 37, .17

11772222 CG TYR A 219 -21.781 45.421 3388. .772299 1. .00 36, .48

11772233 CDl TYR A 219 -22.832 44.512 3388,. ,553344 1. .00 35, .90

11772244 CEl TYR A 219 -22.670 43.383 3377,. .772233 1. ,00 36, .25

1725 CD2 TYR A 219 -20.572 45.176 3388,. .008888 1. .00 33, .09

1726 CE2 TYR A 219 -20.400 44.065 3377,. .228844 1. .00 36, .41

11772277 CZ TYR A 219 -21.444 43.165 3377.. .110022 1. .00 37. .94

11772288 OH TYR A 219 21.232 42.041 36.329 1.00 38.58

11772299 C TYR A 219 20.395 45.807 41.436 1.00 39.33

11773300 0 TYR A 219 ^■19.456 46.573 41.249 1.00 42.27

11773311 N ASP A 220 ^■20.241 44.596 41.928 1.00 40.90

11773322 CA ASP A 220 -18.937 44.073 42.268 1.00 42.85

11773333 CB ASP A 220 -19.050 43.303 43.577 1.00 45.09

11773344 CG ASP A 220 -17.778 42.591 43.940 1.00 48.46

1735 ODl ASP A 220 -16.731 43.275 44.019 1.00 50.45

1736 OD2 ASP A 220 -17.832 41.354 44.148 1.00 48.51 1737 C ASP A 220 -18.442 43.162 41.141 1.00 43.80 1738 O ASP A 220 -19.068 42.143 40.839 1.00 41.76 1739 N THR A 221 -17.323 43.535 40.520 1.00 45.11

1740 CA THR A 221 -16.745 42.761 39.419 1.00 46.51

1741 CB THR A 221 -16.120 43.708 38.362 1.00 48.01

1742 OGl THR A 221 -17.132 44.585 37.848 1.00 49.40

1743 CG2 THR A 221 -15.516 42.914 37.206 1.00 47.44 1744 C THR A 221 -15.669 41.785 39.894 1.00 46.74 1745 O THR A 221 ^■14.752 42.186 40.599 1.00 48.27 11774466 N ARG A 222 -15.776 40.512 39.513 1.00 47.75

1747 CA ARG A 222 -14.773 39.518 39.913 1.00 51.75

1748 CB ARG A 222 -15.125 38.116 39.386 1.00 55.38 1749 CG ARG A 222 -14.071 37.049 39.749 1.00 60.55

1750 CD ARG A 222 -14.221 35.728 38.969 1.00 65.23

1751 NE ARG A 222 -14.222 35.928 37.513 1.00 69.58

1752 CZ ARG A 222 -13.993 34.973 36.605 1.00 70.86 1753 NHl ARG A 222 -13.728 33.723 36.978 1.00 70.96 1754 NH2 ARG A 222 -14.040 35.269 35.312 1.00 69.11 1755 C ARG A 222 -13.410 39.921 39.358 1.00 50.69 11775566 0 ARG A 222 -13.237 39.979 38.148 1.00 51.19 1757 N CYS A 223 -12.451 40.178 40.247 1.00 50.35

1758 CA CYS A 223 ^■11.098 40.600 39.872 1.00 48.70

1759 CB CYS A 223 •10.152 39.396 39.737 1.00 52.57

1760 SG CYS A 223 -8.379 39.902 39.475 1.00 68.15 11776611 C CYS A 223 ^■11.098 41.412 38.583 1.00 44.66 1762 O CYS A 223 ^■10.694 40.932 37.517 1.00 43.09 1763 N PHE A 224 ^■11.550 42.657 38.706 1.00 41.42 1764 CA PHE A 224 ^■11.652 43.581 37.592 1.00 37.47 1765 CB PHE A 224 ^■12.062 44.965 38.105 1.00 37.04 1766 CG PHE A 224 ^■12.420 45.947 37.012 1.00 37.40

1767 CDl PHE A 224 ^•11.429 46.690 36.362 1.00 36.81

1768 CD2 PHE A 224 ^•13.750 46.124 36.627 1.00 36.47

1769 CEl PHE A 224 ^■11.760 47.598 35.343 1.00 36.43

1770 CE2 PHE A 224 -14.091 47.030 35.611 1.00 36.79 1771 CZ PHE A 224 -13.093 47.768 34.967 1.00 35.09

1772 C PHE A 224 -10.399 43.678 36.731 1.00 37.24

1773 0 PHE A 224 -10.487 43.541 35.508 1.00 38.65 1774 N ASP A 225 •9.239 43.904 37.347 1.00 35.13

1775 CA ASP A 225 ■7.989 44.017 36.576 1.00 32.42

1776 CB ASP A 225 -6. .761 44. .074 37, .501 1 , .00 30, .88

1777 CG ASP A 225 -6, .653 45. .387 38, .271 1. .00 31, .21

1778 ODl ASP A 225 -7, .340 46. .375 37, .921 1. .00 35, .09

1779 OD2 ASP A 225 -5. .862 45. .435 39, .229 1. .00 29. .29

1780 C ASP A 225 -7, .795 42. .882 35, .560 1, .00 30 .64

1781 O ASP A 225 -7, .398 43. .120 34 , .416 1. .00 28, .03

1782 N SER A 226 -8, ,098 41, .654 35, .967 1, ,00 30, .02

1783 CA SER A 226 -7, .931 40, .511 35 .075 1. .00 30, .73

1784 CB SER A 226 -7. .990 39, .206 35, .870 1, .00 32. .70

1785 OG SER A 226 -6.984 39.147 36.864 1.00 37.24

1786 C SER A 226 -8.965 40.461 33.952 1.00 32.65

1787 O SER A 226 -8.754 39.810 32.935 1.00 33.08 1788 N THR A 227 -10.086 41.149 34.131 1.00 33.97

1789 CA THR A 227 -11.123 41.117 33.112 1.00 32.96

1790 CB THR A 227 -12.528 41.476 33.690 1.00 35.61

1791 OGl THR A 227 -12.572 42.861 34.058 1.00 35.14

1792 CG2 THR A 227 - 1122..882244 4400..661188 34.912 1.00 35.99

1793 C THR A 227 -10.803 42.052 31.985 1.00 31.90

1794 O THR A 227 -11.200 41.799 30.855 1.00 30.75

1795 N VAL A 228 ^■10.084 43.131 32.301 1.00 33.85

1796 CA VAL A 228 -9.684 44.132 31.312 1.00 33.42

1797 CB VAL A 228 -8.772 45.198 31.939 1.00 31.73

1798 CGI VAL A 228 -8.483 46.300 30.931 1.00 31.42

1799 CG2 VAL A 228 ^■9.428 45.772 33.159 1.00 32.89

1800 C VAL A 228 -8.941 43.442 30.167 1.00 35.68

1801 O VAL A 228 -7.956 42.741 30.385 1.00 36.13

1802 N THR A 229 -9.433 43.635 28.948 1.00 37.46

1803 CA THR A 229 -8.843 43.003 27.778 1.00 38.86

1804 CB THR A 229 -9.931 42.506 26.803 1.00 37.32

1805 OGl THR A 229 ^■10.675 43.625 26.300 1.00 35.11

1806 CG2 THR A 229 -10.867 41.553 27.508 1.00 32.73

1807 C THR A 229 -7.919 43.929 27.015 1.00 41.61

1808 O THR A 229 -7.947 45.153 27.179 1.00 42.16

1809 N GLU A 230 -7.096 43.327 26.169 1.00 44.56

1810 CA GLU A 230 -6.154 44.091 25.374 1.00 46.06 1811 CB GLU A 230 -5.358 43.153 24.458 1..00 48,.34

1812 CG GLU A 230 -4.299 42.336 25.228 1. .00 50. .64

1813 CD GLU A 230 -3.752 41.143 24.448 1. .00 52. .09

1814 OEl GLU A 230 -4.445 40.100 24.392 1. .00 52, .23

1815 OE2 GLU A 230 -2.632 41.251 23.891 1. .00 51. .41

1816 C GLU A 230 -6.940 45.113 24.592 1. .00 44. .64

11881177 0 GLU A 230 -6.495 46.244 24.416 1. .00 45. .05 11881188 N ASN A 231 -8.136 44.734 24.157 1, .00 44. .23 11881199 CA ASN A 231 -8.948 45.681 23.411 1. .00 43, .34

1820 CB ASN A 231 •10.142 44.985 22.748 1. .00 45. .72

1821 CG ASN A 231 ^•10.796 45.852 21.671 1. .00 49. .86

1822 ODl ASN A 231 ^■11.615 46.742 21.963 1. .00 51. .19

11882233 ND2 ASN A 231 ^■10.416 45.614 20.417 1. .00 50. .78

11882244 C ASN A 231 -9.423 46.819 24.320 1. .00 41. .31

11882255 0 ASN A 231 -9.539 47.963 23.873 1. .00 39. .91

11882266 N ASP A 232 -9.687 46.521 25.591 1 .00 38. .03

1827 CA ASP A 232 ^•10.126 47.573 26.514 1. .00 36. .97

1828 CB ASP A 232 ^■10.395 47.011 27.911 1. .00 38. .52

1829 CG ASP A 232 ^■11.577 46.055 27.955 1. .00 39. .78

1830 ODl ASP A 232 ^■11.609 45.243 28.900 1, .00 38, .98

1831 OD2 ASP A 232 ^■12.473 46.117 27.079 1. .00 39, .28

11883322 C ASP A 232 -9.023 48.613 26.623 1. .00 35. .71 1833 O ASP A 232 -9.267 49.809 26.493 1. .00 33. .82 1834 N ILE A 233 -7.804 48.130 26.862 1. .00 35. .46 1835 CA ILE A 233 -6.629 48.983 27.007 1. .00 35. .05

1836 CB ILE A 233 5.383 48.121 27.377 1.00 35.43

1837 CG2 ILE A 233 4.102 48.982 27.427 1.00 31.23

1838 CGI ILE A 233 -5.637 47.454 28.731 1.00 30.56

1839 CDl ILE A 233 -4.603 46.441 29.105 1.00 31.24

1840 C ILE A 233 -6.380 49.820 25.752 1.00 35.09

1841 O ILE A 233 -6.046 51.005 25.852 1.00 34.91

1842 N ARG A 234 -6.541 49.223 24.573 1.00 34.41

1843 CA ARG A 234 -6.376 49.993 23.336 1.00 36.92

1844 CB ARG A 234 -6.437 49.092 22.106 1.00 38.40

1845 CG ARG A 234 -5.297 48.109 22.021 1.00 41.45

1846 CD ARG A 234 -4.658 48.112 20.641 1.00 44.31

1847 NE ARG A 234 -3.464 47.276 20.643 1.00 44.17 1848 CZ ARG A 234 -3..489 45,.959 20..790 1..00 45..23

1849 NHl ARG A 234 -4 .656 45 .335 20. .932 1. .00 45 .69

1850 NH2 ARG A 234 -2. .356 45 .272 20. .831 1. .00 42 .33

1851 C ARG A 234 -7. .477 51 .057 23. .230 1. .00 38 .38 1852 O ARG A 234 -7. .214 52, .190 22. .806 1, .00 40 .44

1853 N VAL A 235 -8. .705 50 .691 23. .613 1, .00 37 .21

1854 CA VAL A 235 -9. .830 51, .620 23. .582 1. .00 37 .65

1855 CB VAL A 235 -11. .154 50, .931 24. .041 1, .00 40 .10

1856 CGI VAL A 235 -12, .216 51, .978 24. .376 1. .00 36 .55 1857 CG2 VAL A 235 -11, .676 50, .019 22. .939 1. .00 40. .32

1858 C VAL A 235 -9. .532 52, .812 24. .490 1. .00 37, .81

1859 O VAL A 235 -9, .866 53, .951 24. .168 1. .00 36, .75

1860 N GLU A 236 -8, .907 52, .540 25. .630 1. .00 40, .70

1861 CA GLU A 236 -8, .533 53, .593 26. .572 1. .00 41, .73

1862 CB GLU A 236 -7 .863 52 .988 27. .815 1 .00 45 .13

1863 CG GLU A 236 -8, .766 52 .099 28. .663 1 .00 46 .58 1864 CD GLU A 236 -8, .000 51 .259 29, .679 1 .00 48 .54

1865 OEl GLU A 236 -8, .660 50 .570 30. .482 1 .00 46, .38

1866 OE2 GLU A 236 -6, .748 51 .275 29. .672 1 .00 49, .30 11886677 C GLU A 236 -7, .549 54 .542 25. .880 1, .00 41, .57 1868 O GLU A 236 -7, .685 55 .766 25, .945 1, .00 40, .19 1869 N GLU A 237 -6, .565 53, .962 25, .205 1, .00 41, .96

1870 CA GLU A 237 -5. .564 54, .748 24. .507 1, .00 42, ,71

1871 CB GLU A 237 -4 , .564 53, .825 23. .823 1. .00 43. .78 1872 CG GLU A 237 -3, .328 54, .525 23. .316 1, .00 46. .96

1873 CD GLU A 237 -3, .156 54, .362 21. .828 1. .00 50. .05

1874 OEl GLU A 237 -3, .411 53 , .238 21. .335 1. .00 52. .50

1875 OE2 GLU A 237 -2. .762 55, .342 21. .156 1. .00 48. .23

1876 C GLU A 237 -6, .198 55, .682 23. .480 1, ,00 43. .76

1877 O GLU A 237 -5, .878 56, .874 23. .442 1. .00 43. .12 1878 N SER A 238 ^■7.101 55.153 22.65! 1.00 42.79

1879 CA SER A 238 -7.743 55.978 21.643 1.00 44.06

1880 CB SER A 238 -8.701 55.146 20.789 1.00 45.62

1881 OG SER A 238 -9.891 54.854 21.490 1.00 48.79 1882 C SER A 238 -8.504 57.125 22.290 1.00 45.00

1883 O SER A 238 -8.722 58.173 21.675 1.00 44.78

1884 N ILE A 239 -8.918 56.933 23.536 1.00 44.84 1885 CA ILE A 239 -9.630 57.989 2244..222277 1.00 44.00

1886 CB ILE A 239 -10.360 57.453 2255..447788 1.00 41.82

1887 CG2 ILE A 239 -11.052 58.594 2266..222211 1.00 40.26

1888 CGI ILE A 239 -11.397 56.415 2255..004488 1.00 41.46 1889 CDl ILE A 239 -12.231 55.877 2266..117766 1.00 38.36

1890 C ILE A 239 -8.625 59.080 2244..559999 1.00 45.10

1891 0 ILE A 239 -8.855 60.250 2244..331144 1.00 45.06

1892 N TYR A 240 -7.504 58.695 2255..221133 1.00 47.19

1893 CA TYR A 240 -6.466 59.658 2255..559966 1.00 46.68 1894 CB TYR A 240 -5.200 58.949 2266..110044 1.00 46.15

1895 CG TYR A 240 -5.382 57.950 2277..222255 1.00 45.11

1896 CDl TYR A 240 -6.272 58.190 2288..227700 1.00 45.32

1897 CEl TYR A 240 -6.379 57.307 2299..334400 1.00 42.14

1898 CD2 TYR A 240 -4.605 56.793 2277..227788 1.00 43.53 1899 CE2 TYR A 240 -4.706 55.905 2288..334455 1.00 41.85

1900 CZ TYR A 240 -5.597 56.171 2299..337755 1.00 41.09

1901 OH TYR A 240 5, .698 55. .311 333000.. .444444777 1.00 39.06

1902 C TYR A 240 6. .074 60. .498 2244. .337755 1.00 47.03

1903 O TYR A 240 5. .967 61. .722 2244. .4455 ι22 1.00 46.96 1904 N GLN A 241 5, .859 59. .818 2233. .2255 >33 1.00 47.90

1905 CA GLN A 241 5. .466 60, .466 2222. .0000 '88 1.00 49.56

1906 CB GLN A 241 5. .264 59, .414 222000.. .999111888 1.00 47.35

1907 CG GLN A 241 4. .159 58, .423 222111.,. .222333555 1.00 48.72

1908 CD GLN A 241 2. .749 58, .991 2211,. .004422 1.00 48.28 1909 OEl GLN A 241 2. .499 60, .189 2211,. .222200 1.00 49.04

1910 NE2 GLN A 241 1. .821 58 .118 2200. .6699 '55 1.00 46.88

1911 C GLN A 241 6, .450 61, .524 222111.. .555222777 1.00 52.01

1912 O GLN A 241 6. .101 62, .356 222000.. .666888777 1.00 53.64

1913 N CYS A 242 7, .679 61, .491 222222.. .000444000 1.00 52.85 1914 CA CYS A 242 - 88,..667744 62, .484 222111...666444555 1.00 52.95

1915 CB CYS A 242 -10.094 62.060 2222..006611 1.00 51.55

1916 SG CYS A 242 -10.811 60.740 2211..003300 1.00 49.50

1917 C CYS A 242 -8.301 63.797 2222..330011 1.00 54.25

1918 O CYS A 242 -8.872 64.838 2222..000011 1.00 56.25 1919 N CYS A 243 -7.332 63.746 2233..220033 1.00 55.79

1920 CA CYS A 243 -6.884 64.954 2233..886699 1.00 58.32

1921 CB CYS A 243 -6.129 64.625 2255..115522 1.00 58.70 1922 SG CYS A 243 -7.089 63.713 26.356 1 , .00 61..85

1923 C CYS A 243 -5.943 65.669 22.927 1 , .00 59. .42

1924 O CYS A 243 -5. .337 65, .050 22.053 1. .00 60. .34

1925 N ASP A 244 -5. .828 66, .979 23.102 1, .00 60. .17 1926 CA ASP A 244 -4. .927 67, .771 22.284 1, .00 59. .09

1927 CB ASP A 244 -5, .398 69, .224 22.249 1, .00 58. .88

1928 CG ASP A 244 -4.530 70.095 21.373 1, .00 58. .97

1929 ODl ASP A 244 -4.307 69.725 20.195 1, .00 57. .96

1930 OD2 ASP A 244 -4.079 71.153 21.868 1, .00 57. .70 1931 C ASP A 244 -3.570 67.645 22.971 1, .00 58. .42

1932 0 ASP A 244 -3.293 68.312 23.968 1, .00 59. .05

1933 N LEU A 245 -2.730 66.769 22.437 1, .00 57. .44

1934 CA LEU A 245 -1.427 66.527 23.024 1, .00 56. .82

1935 CB LEU A 245 -1.285 65.043 23.348 1, .00 56, .00 1936 CG LEU A 245 -2.257 64.364 24.306 1, .00 53. .17

1937 CDl LEU A 245 -2.224 62.867 24.045 1, .00 51. .16 1938 CD2 LEU A 245 -1.884 64.689 25.744 1 .00 51. .14

1939 C LEU A 245 -0.252 66.927 22.151 1 .00 57. .09 1940 O LEU A 245 -0.361 67.031 20.924 1 .00 56. .68 1941 N ALA A 246 0.884 67.133 22.811 1. .00 57. .10

1942 CA ALA A 246 2.118 67.469 22.129 1, .00 56. .57

1943 CB ALA A 246 3.235 67.647 23.133 1 .00 55. .73

1944 C ALA A 246 2.378 66.249 21.265 1, .00 57. .35 1945 O ALA A 246 2.014 65.134 21.632 1, .00 57. .99 11994466 N PRO A 247 2.991 66.438 20.095 1, .00 58. .25

1947 CD PRO A 247 3.262 67.692 19.371 1, .00 57, .08

1948 CA PRO A 247 3.245 65.269 19.246 1.00 58.08

1949 CB PRO A 247 3.897 65.881 18.011 1.00 57.05

1950 CG PRO A 247 3.217 67.228 17.928 1.00 58.64 1951 C PRO A 247 4.126 64.227 19.927 1.00 58.56

1952 O PRO A 247 3.979 63.023 19.694 1.00 58.33 1953 N GLU A 248 5.032 64.693 20.778 1.00 57.13 1954 CA GLU A 248 5.934 63.791 21.472 1.00 57.56 1955 CB GLU A 248 7.018 64.605 22.185 1.00 59.33 1956 CG GLU A 248 8.335 63.862 22.376 1.00 61.81

1957 CD GLU A 248 9.492 64.791 22.709 1.00 62.34

1958 OEl GLU A 248 9.506 65.367 23.819 1.00 62.91 1959 OE2 GLU A 248 10..387 64.,950 21..850 1..00 64..39

1960 C GLU A 248 5. .157 62. .924 22. .468 1. .00 56. .92

1961 O GLU A 248 5. .412 61. .719 22. .604 1. .00 55. .58

1962 N ALA A 249 4. .204 63. .547 23. .156 1. .00 55. .10

1963 CA ALA A 249 3. .386 62. .845 24. .134 1. .00 53. .73

1964 CB ALA A 249 2. .536 63. .832 24. .906 1. .00 53, .24

1965 C ALA A 249 2. .502 61. .818 23. .432 1. .00 53, .22

1966 0 ALA A 249 2. .244 60. .747 23. .974 1. .00 53, .53

1967 N ARG A 250 2. .047 62. .137 22. ,225 1. .00 50, .79

1968 CA ARG A 250 1. .206 61. .203 21. .487 1. .00 52, .35

1969 CB ARG A 250 0. .762 61. .797 20, .149 1. ,00 51, .80

1970 CG ARG A 250 -0. .260 62. .881 20, .258 1. .00 50, .76

1971 CD ARG A 250 -0. .729 63. .293 18, .890 1. .00 51, .71

1972 NE ARG A 250 -1. .846 64, .216 18, .996 1. .00 54, .16

1973 CZ ARG A 250 -3. .045 63, .872 19, .446 1 , .00 54 , .89

1974 NHl ARG A 250 -3. .281 62, .620 19 .821 1. .00 57, .13

1975 NH2 ARG A 250 -4 , .000 64, .781 19 .538 1. .00 56, .82

1976 C ARG A 250 1. .949 59, .909 21 .207 1, .00 51, .59

1977 0 ARG A 250 1, .416 58, .818 21 .378 1. .00 52, .28

1978 N GLN A 251 3. .186 60 .052 20 .757 1, .00 52, .26

1979 CA GLN A 251 4 , .029 58 .919 20 .428 1. .00 51, .25

1980 CB GLN A 251 5, .292 59 .421 19 .714 1, .00 53, .10

1981 CG GLN A 251 6. .319 58 .348 19 .407 1, .00 56, .00

1982 CD GLN A 251 5, .854 57 .363 18 .351 1. .00 58, .04

1983 OEl GLN A 251 6, .443 56 .293 18 .190 1, .00 57, .63

1984 NE2 GLN A 251 4 , .802 57 .722 17 .617 1. .00 59, .02

1985 C GLN A 251 4.395 58.144 21.692 1.00 50.04

1986 O GLN A 251 4.446 56.910 21.673 1.00 51.14

1987 N ALA A 252 4.642 58.866 22.785 1.00 47.23

1988 CA ALA A 252 5.000 58.232 24.053 1.00 45.62

1989 CB ALA A 252 5.413 59.275 25.063 1.00 46.03

1990 C ALA A 252 3.826 57.428 24.592 1.00 44.12 1991 0 ALA A 252 4.000 56.306 25.075 1.00 43.78 1992 N ILE A 253 2.630 58.006 24.512 1.00 41.53 1993 CA ILE A 253 1.431 57.322 24.974 1.00 40.71 1994 CB ILE A 253 0.216 58.264 24.930 1.00 37.64

1995 CG2 ILE A 253 ^■1.085 57.470 25.060 1.00 36.66 1996 CGI ILE A 253 0.350 59.291 26.049 1.00 35.98

1997 CDl ILE A 253 0.677 60.386 26.016 1.00 35.75

11999988 C ILE A 253 1.185 56.093 24.094 1.00 42.27

11999999 0 ILE A 253 0.871 55.003 24.582 1.00 44.29

22000000 N ARG A 254 1.351 56.27? 22.795 1.00 41.47

22000011 CA ARG A 254 1.174 55.201 21.839 1.00 42.71

22000022 CB ARG A 254 11.. .554477 5555.. .771188 20. 445 1. ,00 47. .37

22000033 CG ARG A 254 11.. .220077 5544.. .779966 19. .309 1. .00 53 .16

22000044 CD ARG A 254 -00., .228899 5544., .776622 19. .062 1. .00 60 .43

2005 NE ARG A 254 -00., .662266 5533., .773344 18. .082 1. .00 64 .74

2006 CZ ARG A 254 0, .497 52, .432 18. .305 1, .00 66 .85

22000077 NHl ARG A 254 0, .046 52, .005 19, .479 1. .00 65 .90

22000088 NH2 ARG A 254 -00., .880022 5511., .556600 17, .352 1, .00 68 .94

22000099 C ARG A 254 22.. .008844 54. .031 22. .239 1, .00 40 .69

22001100 0 ARG A 254 11.. .663333 52. .904 22. .457 1, .00 39, .75

22001111 N SER A 255 33...336699 5544...332299 22..359 11...0000 3399,..3355

2012 CA SER A 255 44...337722 5533.,.333322 22..715 11 ..0000 3388 ..7799

2013 CB SER A 255 55.,.776688 5533..996644 22,.607 11 ..0000 3388 ..6688

22001144 OG SER A 255 6. .769 53 .005 22 .893 11 ..0000 4400 ..4411

22001155 C SER A 255 4. .177 52 .691 24, .105 11 . .0000 3366 . .6600

22001166 0O SER A 255 44...333300 5511..447711 24.273 11..0000 3333..4400

22001177 N LEU A 256 33.. .886644 53 .517 25, .100 1 .00 33 .48

2018 CA LEU A 256 33.. .663388 53. .000 26. .440 1, .00 34 , .39

2019 CB LEU A 256 33...338822 5544..115533 27,.427 11..0000 3322..6655

2020 CG LEU A 256 44...559955 5544...993344 27..949 11,..0000 3300,..6611

22002211 CDl LEU A 256 44.. .1122£8 56 .143 28, .748 11,. .0000 3300. .7700

22002222 CD2 LEU A 256 5, .437 54 .038 28 .814 11. .0000 2266 ..6633

22002233 C LEU A 256 2 .432 52 .049 26 .403 1 .00 34 .70

22002244 0 LEU A 256 2 .403 51 .032 27 .096 1 .00 35 .70

22002255 N THR A 257 1, .445 52. .381 25, .578 11,. .0000 3344. .7722

2026 CA THR A 257 0, .269 51. .543 25, .463 11,. .0000 3366. .2299

2027 CB THR A 257 0, .834 52, .225 24, .607 11,. .0000 3366. .8811

2028 OGl THR A 257 1, .397 53, .314 25, .347 11,. .0000 3355. .5500

2029 CG2 THR A 257 1. .959 51. .235 24. .264 11.. .0000 3344 ,. .3333

2030 C THR A 257 0 .610 50 .180 24 .873 1 .00 36 .02

2031 0 THR A 257 0 .327 49 .154 25 .480 1 .00 37 .18

2032 N GLU A 258 1 .222 50 .162 23 .698 1 .00 36 .39 2033 CA GLU A 258 1.557 48.892 23.065 1.00 37.63

2034 CB GLU A 258 1.968 49.113 21.609 1.00 40.16

2035 CG GLU A 258 0.811 49.355 20.681 1.00 45.30

2036 CD GLU A 258 0.056 48.088 20.367 1.00 49.79 2037 OEl GLU A 258 -1.194 48.139 20.330 1.00 54.43

2038 OE2 GLU A 258 0.714 47.047 20.146 1.00 48.94

2039 C GLU A 258 2.659 48.127 23.767 1.00 35.70

2040 O GLU A 258 2.714 46.904 23.703 1.00 33.86

2041 N ARG A 259 3.531 48.850 24.448 1.00 36.56 2042 CA ARG A 259 4.656 48.211 25.106 1.00 36.32

2043 CB ARG A 259 5.897 49.079 24.917 1.00 38.07

2044 CG ARG A 259 6.216 49.296 23.451 1.00 39.88

2045 CD ARG A 259 7.443 50.151 23.269 1.00 42.55

2046 NE ARG A 259 8.611 49.590 23.936 1.00 41.56 2047 CZ ARG A 259 9.768 50.234 24.075 1.00 43.50

2048 NHl ARG A 259 9.905 51.460 23.588 1.00 41.31

2049 NH2 ARG A 259 10.786 49.662 24.712 1.00 43.29

2050 C ARG A 259 4.465 47.883 26.573 1.00 34.39

2051 O ARG A 259 5.042 46.919 27.072 1.00 31.83 2052 N LEU A 260 3.643 48.668 27.262 1.00 32.14

2053 CA LEU A 260 3.435 48.431 28.681 1.00 30.98

2054 CB LEU A 260 3.871 4499..667744 29.468 1.00 29.42

2055 CG LEU A 260 3.793 49.599 30.996 1.00 30.97

2056 CDl LEU A 260 4.557 4488..337788 31.475 1.00 29.37 2057 CD2 LEU A 260 4.349 5500..888844 31.615 1.00 25.23

2058 C LEU A 260 2.002 48.036 29.065 1.00 30.65

2059 O LEU A 260 1, .745 46, .915 29 .484 1, .00 30. .96

2060 N TYR A 261 1 .081 48, .966 28 .896 1. .00 29. .14

2061 CA TYR A 261 -0, .314 48, .788 29 .253 1. .00 28. .40 2062 CB TYR A 261 -1 .053 50, ,060 28 .860 1. .00 26. .91

2063 CG TYR A 261 -0 .426 51, .267 29 .520 1. .00 27. .00

2064 CDl TYR A 261 0 .297 51, .134 30 .713 1. .00 24. .97

2065 CEl TYR A 261 0. .881 52, .237 31. .338 1. .00 26, .02

2066 CD2 TYR A 261 -0 .553 52, .537 28 .966 1 , .00 29, .76 2067 CE2 TYR A 261 0 .029 53, .658 29. .583 1. .00 27, .96

2068 CZ TYR A 261 0. .744 53. .495 30. .767 1. .00 27. .75

2069 OH TYR A 261 1, .312 54. .589 31. .372 1. .00 29. .78 2070 C TYR A 261 -1.076 47.544 28.787 1.00 30.12

2071 0 TYR A 261 -1.666 46.844 29.608 1.00 28.63

2072 N VAL A 262 -1.049 47.248 27.492 1.00 29.66

2073 CA VAL A 262 -1.770 46.096 26.982 1.00 29.30 2074 CB VAL A 262 -1.823 46.098 25.433 1.00 29.26

2075 CGI VAL A 262 -22., .559900 4477.. .330022 24, .947 1. .00 29 .00

2076 CG2 VAL A 262 -00., .441199 4466., .111166 24, .856 1. .00 30, .66

2077 C VAL A 262 1, .211 44, .760 27, .452 1. .00 31, .05

2078 0 VAL A 262 1. .874 43. .728 27, .333 1. .00 32, .80 2079 N GLY A 263 0, .003 44 , .766 27, .981 1. .00 30, .80

2080 CA GLY A 263 0. .582 43 , .517 28. .439 1. .00 33, .83

2081 C GLY A 263 2, .095 43 , .511 28 .434 1. .00 35, .65

2082 O GLY A 263 2, .736 44, .539 28 .196 1. .00 37, .27

2083 N GLY A 264 2. .675 42, .350 28 .692 1. .00 34 , .29 2084 CA GLY A 264 4. .121 42 .263 28 .718 1, .00 35, .58

2085 C GLY A 264 4. .606 41, .177 2299. .665511 1, .00 35, .50

2086 0 GLY A 264 3.812 40.589 30.374 1, .00 33, .94

2087 N PRO A 265 5.917 40.899 29.668 1. .00 36 .86

2088 CD PRO A 265 6.956 41.540 28.838 1. .00 38 .38 2089 CA PRO A 265 6.506 39.866 30.523 1, .00 34 .92

2090 CB PRO A 265 7.820 39.570 29.820 1.00 36.12

2091 CG PRO A 265 8.243 40.948 29.398 1.00 37.44

2092 C PRO A 265 6, .720 40, .333 31 .954 1 , .00 33 , .54

2093 O PRO A 265 6, .920 41, .522 32 .211 1, .00 33 , .82 2094 N MET A 266 6, .686 39, .379 32 .878 1. .00 32, .92

2095 CA MET A 266 6, .895 39, .659 34 .296 1. .00 33, .95

2096 CB MET A 266 5, .622 39, .363 35 .108 1, .00 33 , .50

2097 CG MET A 266 4 , .341 39, .980 34 .579 1. .00 34 , .32

2098 SD MET A 266 2, .932 39, .432 35 .574 1, .00 40, .00 2099 CE MET A 266 2, .560 37, .891 34 .814 1. .00 28, .67

2100 C MET A 266^' 8, .027 38 .798 34 .880 1, .00 35, .03

2101 O MET A 266 8, .208 37, .625 34 .504 1 , .00 32, .34

2102 N THR A 267 8, .780 39 .387 35 .806 1, .00 35. .05

2103 CA THR A 267 9.836 38.657 36.504 1.00 38.85 2104 CB THR A 267 11.282 39.224 36.221 1.00 38.21

2105 OGl THR A 267 11.315 40.637 36.449 1.00 42.76

2106 CG2 THR A 267 11.705 38.951 34.789 1.00 40.39 2107 C THR A 267 9..530 38..807 37..991 1..00 39..31

2108 0 THR A 267 8. .914 39. .796 38. .408 1. .00 37. .98

2109 N ASN A 268 9. .917 37. .815 38. .785 1. .00 41. .62

2110 CA ASN A 268 9. .716 37. .909 40. .226 1. .00 43. .33

2111 CB ASN A 268 9. .662 36. .525 40. .884 1. .00 43. .52

2112 CG ASN A 268 10. .918 35. .713 40. .649 1, .00 44. .84

2113 ODl ASN A 268 12. .009 36, .262 40. .495 1. .00 45. .18

2114 ND2 ASN A 268 10. .774 34 , .393 40. .638 1, .00 43. .13

2115 C ASN A 268 10. .917 38. .698 40. .751 1. .00 44. .67

2116 0 ASN A 268 11. .724 39. .195 39. .959 1. .00 45. .03

2117 N SER A 269 11. .040 38. .814 42. .069 1. .00 46. .63

2118 CA SER A 269 12. .142 39. .566 42. .665 1. .00 48. .12

2119 CB SER A 269 11. .926 39. .709 44. .176 1. .00 45. .93

2120 OG SER A 269 11. .829 38, .448 44. .800 1. .00 42. .08

2121 C SER A 269 13. .528 38, .964 42, .386 1, .00 50. .13

2122 0 SER A 269 14. .521 39. .693 42, .337 1, .00 50. .30

2123 N LYS A 270 13. .592 37, .648 42, .194 1, .00 50. .46

2124 CA LYS A 270 14. .860 36, .974 41, .907 1, .00 52. .05

2125 CB LYS A 270 14. .765 35, .474 42 .238 1, .00 53. .91

2126 CG LYS A 270 14. .682 35, .150 43 .722 1, .00 57, .38

2127 CD LYS A 270 14 , .699 33, .642 43 .950 1, .00 59, .82

2128 CE LYS A 270 14. .736 33, .294 45 .432 1, .00 60, .32

2129 NZ LYS A 270 14. .832 31 .823 45 .626 1, .00 61, .42

2130 C LYS A 270 15, .273 37 .137 40 .441 1, .00 51, .55

2131 0 LYS A 270 16, .265 36 .554 39 .996 1 .00 52, .28

2132 N GLY A 271 14, .500 37 .918 39 .692 1 .00 50 .66

2133 CA GLY A 271 14, .801 38 .140 38 .289 1 .00 48 .43

2134 C GLY A 271 14, .434 37 .012 37 .335 1 .00 47, .84

2135 0 GLY A 271 14, .811 37 .054 36 .161 1 .00 47 .98

2136 N GLN A 272 13, .697 36 .011 37 .813 1 .00 47 .58

2137 CA GLN A 272 13, .310 34 .890 36 .957 1 .00 48 .88

2138 CB GLN A 272 13, .138 33 .631 37 .808 1 .00 50 .00

2139 CG GLN A 272 14 .284 33 .429 38 .764 1 .00 55 .47

2140 CD GLN A 272 14 .064 32 .277 39 .720 1 .00 59 .56

2141 OEl GLN A 272 12 .929 31 .980 40 .100 1 .00 61 .19

2142 NE2 GLN A 272 15, .156 31 .634 40 .136 1, .00 58, .11

2143 C GLN A 272 12, .031 35 .172 36 .150 1, .00 47, .86 2144 O GLN A 272 11,.168 35..949 36..574 1..00 45..96

2145 N ASN A 273 11. .936 34. .547 34. .976 1. .00 47. .11

2146 CA ASN A 273 10. .783 34. .702 34. .081 1. ,00 46. .39

2147 CB ASN A 273 11. .038 33. .934 32. .786 1. .00 44. .34

2148 CG ASN A 273 10. .074 34. .302 31. .687 1. .00 45. .17

2149 ODl ASN A 273 9. .906 33, .554 30. .723 1. .00 42. .14

2150 ND2 ASN A 273 9. .449 35. .468 31. .808 1. .00 45. .16

2151 C ASN A 273 9. .561 34. .124 34. .797 1. .00 46. .85

2152 0 ASN A 273 9. .475 32, .912 35, .003 1. .00 47. .20

2153 N CYS A 274 8. .612 34, .977 35, .172 1. .00 46, .02

2154 CA CYS A 274 7. .449 34 .493 35, .906 1, .00 46, .60

2155 CB CYS A 274 7, .099 35 .474 37, .029 1. .00 46, .94

2156 SG CYS A 274 6. .046 34 .755 38, .307 1. .00 48, .70

2157 C CYS A 274 6, .214 34 .224 35, .048 1. .00 45, .89

2158 O CYS A 274 5. .561 33 .199 35, .195 1. .00 46, .13

2159 N GLY A 275 5. .890 35 .145 34, .155 1. .00 44 , .79

2160 CA GLY A 275 4, .736 34 .938 33, .311 1. .00 43 , .40

2161 C GLY A 275 4 , .564 36 .058 32, .316 1. .00 42, .82

2162 0 GLY A 275 5 .475 36 .856 32, .091 1, .00 44 , .53

2163 N TYR A 276 3 .382 36 .122 31, .722 1. .00 40, .89

2164 CA TYR A 276 3 .087 37, .141 30, .735 1. .00 39, .71

2165 CB TYR A 276 3 .177 36, .524 29, .343 1. .00 37, .60

2166 CG TYR A 276 3 .491 37 .534 28, .289 1. .00 39, .90

2167 CDl TYR A 276 4 .815 37, .792 27, .911 1. .00 40, .04

2168 CEl TYR A 276 5 .109 38, .776 26, .972 1. .00 39, .69

2169 CD2 TYR A 276 2, .471 38, .286 27. .700 1. .00 39. .03

2170 CE2 TYR A 276 2, .753 39, .264 26. .767 1. .00 39. .42

2171 CZ TYR A 276 4 , .069 39, .505 26. .403 1. .00 40. .64

2172 OH TYR A 276 4 , .329 40, .454 25. .453 1. .00 40. .94

2173 C TYR A 276 1, .685 37, .726 30. .977 1. .00 40. .53

2174 O TYR A 276 0, .696 37, .001 31. .014 1. .00 40. .63

2175 N ARG A 277 1. .619 39, .041 31. .147 1. .00 40. .43

2176 CA ARG A 277 0, .374 39, .744 31. .405 1. .00 41. .21

2177 CB ARG A 277 0, .643 40, .954 32. .311 1. .00 41. .11

2178 CG ARG A 277 -0. .528 41 , .938 32. .423 1. .00 43. .27

2179 CD ARG A 277 -0, .197 43 .113 33. .335 1. .00 43, .27

2180 NE ARG A 277 0, .966 43 .841 32. .845 1, .00 45, .58 2181 CZ ARG A 277 0,.958 44..656 31..795 1..00 44 ,.09

2182 NHl ARG A 277 0. .160 44. .868 31. .120 1. .00 45, .09

2183 NH2 ARG A 277 2 , .082 45. .233 31. .404 1. .00 43 , .75

2184 C ARG A 277 0. .319 40. .219 30. .129 1. .00 43. .14 2185 O ARG A 277 0. .315 40. .793 29. .246 1. .00 44 , .83

2186 N ARG A 278 1. .625 39. .986 30. .039 1. .00 43, .02

2187 CA ARG A 278 ^■22.. .338866 4400.. .442299 28. .882 1. .00 42, .67

2188 CB ARG A 278 ^■22., .770088 3399.. .226622 27. .958 1. .00 43, .53

2189 CG ARG A 278 -11. .447700 3388.. .667700 27. .304 1, .00 42 .77 2190 CD ARG A 278 -11. .883366 3377., .772266 26. .191 1, .00 37 .02

2191 NE ARG A 278 -00. .669966 3377., .550077 25. .317 1, .00 37 .67

2192 CZ ARG A 278 00. .222200 3366., .555577 25, .475 1, .00 37 .70

2193 NHl ARG A 278 00. .114488 3355., .669988 26, .488 1, .00 34 .60

2194 NH2 ARG A 278 11..222211 333666..,.444888111 24.609 11,..0000 3399..1122 2195 C ARG A 278 - 33..666600 4411,..008855 29.360 11..0000 4422..5599

2196 O ARG A 278 -44..666622 4411,..113300 28.649 11,..0000 4433..9944

2197 N CYS A 279 - 33. .660033 41, .590 30, .586 11. .0000 3399. .6666

2198 CA CYS A 279 -44..772222 4422,..227766 31.198 11..0000 3366..1188

2199 CB CYS A 279 -55..440099 4411,..337700 32.212 11..0000 3344..0044 2200 SG CYS A 279 4 .395 40, .935 33 .619 11. .0000 3355. .4444

2201 C CYS A 279 4 .134 43, .508 31 .879 1 .00 36 .24

2202 O CYS A 279 2 .951 43, .805 31 .709 1 .00 35 .52

2203 N ARG A 280 - 44..995566 4444 ,..222222 32.637 11,..0000 3344..2266

2204 CA ARG A 280 -44..551188 45,.429 33.317 11..0000 3333..9988 2205 CB ARG A 280 - 55. .668833 46, .050 34 .096 1 .00 31 .48

2206 CG ARG A 280 - 55. .228822 47, .180 35 .033 1, .00 31, .85

2207 CD ARG A 280 - 55..115566 4488...448811 34.295 11,..0000 3311,..1166

2208 NE ARG A 280 6. .480 49, .019 34 .033 11,. .0000 3355,. .5577

2209 CZ ARG A 280 6. .840 49, .659 32 .929 1, .00 35, .77 2210 NHl ARG A 280 5, .971 49, .856 31 .950 1, .00 36, .32

2211 NH2 ARG A 280 8, .084 50, .096 32 .808 11,. .0000 3355,. .2255

2212 C ARG A 280 3, .352 45, .226 34 , .277 11,. .0000 3355,. .8888

2213 O ARG A 280 3, .235 44 , .197 34 , .923 11,. .0000 3355,. ,7711

2214 N ALA A 281 2, .492 46, .234 34 , .360 11,. .0000 3366,. .9977 2215 CA ALA A 281 1, .369 46. .206 35, .277 1, .00 38, .06

2216 CB ALA A 281 0 .131 46 .834 34 .628 1 .00 39 .60

2217 C ALA A 281 1 .796 47. .022 36 .501 1, .00 37 .75 2218 O ALA A 281 -2.174 48.185 36.393 1.00 36.99

2219 N SER A 282 -1.727 46.400 37.666 1.00 38.57 2220 CA SER A 282 -2.116 47.045 38.910 1.00 39.01 2221 CB SER A 282 -2.119 46.004 40.028 1.00 39.64 2222 OG SER A 282 -1.171 44.987 39.743 1.00 40.11 2223 c SER A 282 1. .237 48. .215 39. .309 1. .00 39. .47 2224 o SER A 282 1. .713 49. .163 39. .940 1. .00 40. .60 2225 N GLY A 283 0. .037 48. .158 38. .923 1. .00 41. .19 2226 CA GLY A 283 0, .973 49. .205 39, .299 1. .00 39, .11 22222277 C GLY A 283 1. .592 50. .106 38, .251 1, .00 39, .92 2228 O GLY A 283 2. .808 50. .304 38, .252 1. .00 41, .42 2229 N VAL A 284 0, .778 50. .648 37, .354 1. .00 38, .15 2230 CA VAL A 284 1. .275 51. .581 36 .353 1, .00 37, .36 2231 CB VAL A 284 1. .006 51, .126 34, .901 1, .00 37, .25 2232 CGI VAL A 284 1. .637 49, .773 34 .671 1, .00 34, .48 2233 CG2 VAL A 284 0. .480 51, .127 34, .600 1, .00 35, .87 2234 C VAL A 284 0. .523 52, .860 36 .632 1. .00 37, .47 2235 O VAL A 284 0. .372 52, .864 37 .462 1 , .00 38, .70 2236 N LEU A 285 0. .875 53, .941 35 .949 1, .00 37, .23 2237 CA LEU A 285 0. .224 55. .234 36, .174 1. .00 36, .98 2238 CB LEU A 285 1. .028 56, .322 35 .471 1, .00 36, .18 2239 CG LEU A 285 0, .441 57, .719 35, .619 1. .00 35. .62

2240 CDl LEU A 285 0. .150 58, .006 37, .082 1. .00 33, ,63

2241 CD2 LEU A 285 1, .418 58, .721 35, .052 1. .00 37, .06 22224422 C LEU A 285 1 , .251 55, .369 35, .756 1. .00 37, .20 2243 0 LEU A 285 2, .011 56, .147 36, .333 1. .00 37, .38 2244 N THR A 286 1, .650 54 , .619 34 , .742 1. .00 36. .37 2245 CA THR A 286 3 , .004 54 , .705 34 , .228 1. .00 35. .54 2246 CB THR A 286 2. .981 54. .512 32, .696 1. .00 35. .09 2247 OGl THR A 286 2. .177 53. .375 32, .377 1. .00 33. .08

2248 CG2 THR A 286 2. .397 55. .729 32, .010 1. .00 34. .01

2249 C THR A 286 4. .009 53. .722 34. .841 1. .00 36. .26

2250 O THR A 286 5. .160 53. .682 34. .422 1. .00 36. .16

2251 N THR A 287 3. .589 52. .954 35. .844 1. .00 36. .51 2252 CA THR A 287 4. .472 51. .965 36. .453 1. .00 35. .23

2253 CB THR A 287 3. .783 51, .230 37. .628 1. .00 35. .27

2254 OGl THR A 287 2. .564 50. .633 37. .165 1. .00 30. .93 2255 CG2 THR A 287 -4.702 50.128 38.189 1.00 28.37

2256 C THR A 287 -5.801 52.535 36.927 1.00 36.54

2257 O THR A 287 -6.856 52.018 36.565 1.00 38.54

2258 N SER A 288 -5.753 53.594 37.725 1.00 36.14

2259 CA SER A 288 -6.968 54.216 38.238 1.00 36.47

2260 CB SER A 288 -6.618 55.325 39.220 1.00 35.25

2261 OG SER A 288 -7. .781 56 .030 39. .615 1. .00 38 .24

2262 C SER A 288 -7. .839 54 .793 37. .131 1. .00 38 .80

2263 0 SER A 288 -9. .011 54 .439 37, .001 1. .00 39 .76

2264 N CYS A 289 -7. .253 55 .684 36, .339 1, .00 39 .89

2265 CA CYS A 289 -7. .953 56 .340 35 .240 1. .00 39 .89

2266 CB CYS A 289 -7, .028 57 .339 34, .539 1. .00 41 .39

2267 SG CYS A 289 -7, .801 58 .170 33 .134 1. .00 46 .66

2268 C CYS A 289 -8, .458 55 .343 34 .226 1. .00 38. .00

2269 0 CYS A 289 -9, .541 55 .495 33 .668 1. .00 38 .79

2270 N GLY A 290 -7, .655 54 .320 33 .988 1. .00 37 .88

2271 CA GLY A 290 -8, .033 53 .297 33 .035 1. .00 36 .90

2272 C GLY A 290 -9, .224 52 .479 33 .492 1. .00 36, .33

2273 0 GLY A 290 -10, .191 52 .335 32 .746 1. .00 37, .10

2274 N ASN A 291 -9, .162 51 .948 34 .713 1. .00 35, .48

2275 CA ASN A 291 -10, .249 51 .128 35 .238 1. .00 34, .22

2276 CB ASN A 291 -9, .881 50 .545 36 .606 1. .00 31, .87

2277 CG ASN A 291 -8, .848 49 .427 36 .507 1. .00 32, .26

2278 ODl ASN A 291 -8, .660 48 .837 35, .443 1. .00 30, .34

2279 ND2 ASN A 291 -8, .189 49 .120 37, .621 1. .00 29, .67

2280 C ASN A 291 -11, .548 51 .915 35, .330 1. .00 35, .94

2281 0 ASN A 291 -12, .616 51 .394 35, .020 1. .00 37, .82

2282 N THR A 292 -11. .446 53 .174 35, .744 1. .00 35, .21

2283 CA THR A 292 -12. .597 54, .047 35, .859 1. .00 35, .28

2284 CB THR A 292 -12. .192 55, .395 36, .466 1. .00 36, .90

2285 OGl THR A 292 -11, .633 55, .176 37, .765 1. .00 38, .86

2286 CG2 THR A 292 -13, .386 56, .331 36, .566 1. .00 35. .65

2287 C THR A 292 -13, .238 54 , .298 34 , .492 1. .00 36, .72

2288 O THR A 292 -14. .453 54 , .200 34. .354 1. .00 38. .96

2289 N LEU A 293 -12. .432 54 , .625 33 , .484 1. .00 36. .04

2290 CA LEU A 293 -12. .977 54 , .880 32, .155 1. .00 34. .79

2291 CB LEU A 293 -11. .891 55, .362 31. .187 1. .00 32, .65 2292 CG LEU A 293 •11.366 56.798 31.339 1.00 35.81

2293 CDl LEU A 293 •10.141 57.001 30.445 1.00 33.46

2294 CD2 LEU A 293 -12.454 57.800 30.991 1.00 32.16

2295 C LEU A 293 -13.612 53.620 31.604 1.00 34.47 2296 O LEU A 293 -14.673 53.669 30.991 1.00 34.61

2297 N THR A 294 -12.964 52.485 31.827 1.00 33.45

2298 CA THR A 294 -13.494 51.235 31.325 1.00 33.88

2299 CB THR A 294 -12.404 50.161 31.319 1.00 31.67

2300 OGl THR A 294 -11.437 50.522 30.336 1.00 35.58 2301 CG2 THR A 294 -12.964 48.789 30.951 1.00 31.43

2302 C THR A 294 -14.728 50.759 32.086 1.00 34.50

2303 O THR A 294 -15.664 50.262 31.477 1.00 34.10

2304 N CYS A 295 -14.728 50.918 33.408 1.00 36.33

2305 CA CYS A 295 ^•15.861 50.514 34.232 1.00 36.71 2306 CB CYS A 295 ^■15.544 50.729 35.709 1.00 35.35

2307 SG CYS A 295 ^■16.826 50.161 36.837 1.00 37.92

2308 C CYS A 295 ^•17.066 51.358 33.830 1.00 37.90

2309 O CYS A 295 -18.140 50.833 33.545 1.00 38.71

2310 N TYR A 296 -16.864 52.669 33.794 1.00 36.73 2311 CA TYR A 296 -17.908 53.607 33.413 1.00 38.40

2312 CB TYR A 296 -17.332 55.019 33.376 1.00 37.53

2313 CG TYR A 296 -18.256 56.048 32.781 1.00 39.68

2314 CDl TYR A 296 -19.150 56.754 33.583 1.00 40.27

2315 CEl TYR A 296 -20.000 57.701 33.042 1.00 40.91 2316 CD2 TYR A 296 -18.240 56.319 31.410 1.00 39.08

2317 CE2 TYR A 296 -19.083 57.25! 30.859 1.00 38.82

2318 CZ TYR A 296 ^■19.966 57.949 31.679 1.00 43.35

2319 OH TYR A 296 ^■20.839 58.874 31.135 1.00 48.54

2320 C TYR A 296 -18.504 53.280 32.039 1.00 40.70 2321 O TYR A 296 -19.726 53.305 31.849 1.00 40.56

2322 N LEU A 297 ^■17.630 52.985 31.082 1.00 40.59

2323 CA LEU A 297 •18.050 52.687 29.719 1.00 39.75

2324 CB LEU A 297 ■16.830 52.454 28.831 1.00 40.18

2325 CG LEU A 297 -17.089 52.035 27.383 1.00 41.60 2326 CDl LEU A 297 -17.798 53.166 26.641 1.00 41.12

2327 CD2 LEU A 297 -15.760 51.703 26.706 1.00 42.74

2328 C LEU A 297 -18.958 51.478 29.635 1.00 39.33

25] 2329 O LEU A 297 -20.067 51.551 29.113 1 . 00 39 . 37

2330 N LYS A 298 -18.475 50.359 30.138 1 . 00 37 . 11

2331 CA LYS A 298 -19.246 49.146 30.084 1 . 00 38 . 85

2332 CB LYS A 298 -18.418 48.003 30.660 1 . 00 35 . 92

2333 CG LYS A 298 -17, .187 47. .709 29. .827 1. .00 35. .32

2334 CD LYS A 298 -16, .346 46. .577 30. .400 1. .00 35. .84

2335 CE LYS A 298 -15, .175 46. .236 29. .485 1. .00 34. .78

2336 NZ LYS A 298 -14 , .280 45. .229 30. .090 1. .00 30. .35

2337 C LYS A 298 -20. .572 49. .295 30. .827 1. .00 40. .80

2338 0 LYS A 298 -21 .623 48. .901 30, ,327 1. .00 39. .59

2339 N ALA A 299 -20. .511 49. .896 32, .008 1. .00 42. .38

2340 CA ALA A 299 -21 .684 50. .083 32, .843 1. .00 42, .26

2341 CB ALA A 299 -21. .263 50. .605 34, .214 1. .00 41, .25

2342 C ALA A 299 -22 .712 51. .014 32 .209 1. .00 43 , .30

2343 0 ALA A 299 -23 .916 50. .767 32 .300 1. .00 42, .33

2344 N ALA A 300 -22 .246 52. .084 31 .576 1. .00 43 , .21

2345 CA ALA A 300 -23 .162 53, .012 30, .933 1. .00 42, .67

2346 CB ALA A 300 -22. .403 54 , .199 30 .348 1. .00 43 , .02

2347 C ALA A 300 -23. .869 52, .240 29 .832 1, .00 42, .61

2348 0 ALA A 300 -25. .086 52, .292 29, .711 1. .00 45, .41

2349 N ALA A 301 -23 .106 51. .506 29, .038 1. .00 41, .24

2350 CA ALA A 301 -23 .699 50, .723 27, .963 1. .00 42, .54

2351 CB ALA A 301 -22. .603 50, .030 27, .132 1. .00 39. .18

2352 C ALA A 301 -24 .670 49, .680 28 .522 1. .00 40, .83

2353 0 ALA A 301 -25. .756 49, .485 27. .991 1. .00 41 , .98

2354 N ALA A 302 -24 .262 49, .008 29, .590 1. .00 39, .52

2355 CA ALA A 302 -25. .078 47, .977 30, .206 1. .00 36 , .75

2356 CB ALA A 302 -24. .293 47, .288 31, .296 1. .00 34. .97

2357 C ALA A 302 -26. .371 48. .556 30, .773 1. .00 38. .15

2358 0 ALA A 302 -27, .408 47. .898 30, .761 1. .00 36. .12

2359 N CYS A 303 -26, .300 49. .780 31, .281 1. .00 38. .39

2360 CA CYS A 303 -27, .472 50. .436 31, .820 1. .00 40. .55

2361 CB CYS A 303 -27.147 51.877 32.241 1.00 38.64

2362 SG CYS A 303 ^■26.446 52.053 33.906 1.00 45.44

2363 C CYS A 303 •28.547 50.455 30.730 1.00 42.78

2364 O CYS A 303 -29.731 50.186 30.999 1.00 43.54

2365 N ARG A 304 -28.121 50.754 29.503 1.00 42.03 2366 CA ARG A 304 -29.026 50.834 28.359 1.00 42.24

2367 CB ARG A 304 -28.315 51.473 27.166 1.00 39.72 2368 CG ARG A 304 -27.896 52.904 27.446 1.00 37.69

2369 CD ARG A 304 -27.182 53.542 26.281 1.00 36.94

2370 NE ARG A 304 -26.653 54.851 26.656 1.00 40.01

2371 CZ ARG A 304 -26.078 55.693 25.805 1.00 40.12

2372 NHl ARG A 304 -25.967 55.352 24.530 1.00 41.41

2373 NH2 ARG A 304 ^•25.605 56.861 26.222 1.00 36.46

2374 C ARG A 304 ^■29.619 49.491 27.969 1.00 42.76

2375 0 ARG A 304 •30.808 49.397 27.660 1.00 43.33

2376 N ALA A 305 ^■28.806 48.446 27.982 1.00 41.68

2377 CA ALA A 305 -29.335 47.144 27.642 1.00 42.48

2378 CB ALA A 305 -28.231 46.112 27.686 1.00 42.08

2379 C ALA A 305 -30.435 46.791 28.649 1.00 44.33

2380 0 ALA A 305 -31.455 46.185 28.290 1.00 44.48

2381 N ALA A 306 -30.223 47.202 29.902 1.00 44.59

2382 CA ALA A 306 -31.136 46.923 31.009 1.00 44.57

2383 CB ALA A 306 -30.362 46.920 32.315 1.00 44.70

2384 C ALA A 306 -32.329 47.867 31.120 1.00 45.08

2385 0 ALA A 306 -33.346 47.524 31.708 1.00 44.70

2386 N LYS A 307 -32.198 49.062 30.566 1.00 47.45

2387 CA LYS A 307 -33.281 50.034 30.603 1.00 47.24

2388 CB LYS A 307 -34.548 49.416 30.010 1.00 47.46

2389 CG LYS A 307 -34.400 48.969 28.571 1.00 45.83

2390 CD LYS A 307 -34.149 50.149 27.657 1.00 45.74

2391 CE LYS A 307 -35.326 51.093 27.629 1.00 45.70

2392 NZ LYS A 307 -35.118 52.192 26.648 1.00 46.81

2393 C LYS A 307 -33.591 50.585 31.993 1.00 47.32

2394 0 LYS A 307 -34.753 50.781 32.336 1.00 48.49

2395 N LEU A 308 -32.569 50.824 32.803 1.00 47.32

2396 CA LEU A 308 -32.811 51.393 34.120 1.00 48.90

2397 CB LEU A 308 -31.510 51.499 34.911 1.00 48.81

2398 CG LEU A 308 -30.799 50.181 35.208 1.00 49.98

2399 CDl LEU A 308 -29.461 50.450 35.885 1.00 49.11

2400 CD2 LEU A 308 -31.696 49.322 36.086 1.00 50.67

2401 C LEU A 308 -33.367 52.786 33.843 1.00 50.34

2402 0 LEU A 308 -32.942 53.435 32.895 1.00 49.75 2403 N GLN A 309 -34.312 53.239 34.661 1.00 52.52 2404 CA GLN A 309 -34.933 54.546 34.473 1.00 54.30 2405 CB GLN A 309 -36.383 54.523 34.979 1.00 57.24 2406 CG GLN A 309 -37.278 53.484 34.309 1.00 60.97

2407 CD GLN A 309 -38.692 53.452 34.888 1.00 64.06

2408 OEl GLN A 309 -39.511 52.605 34.515 1.00 66.32

2409 NE2 GLN A 309 -38.983 54.376 35.799 1.00 65.00

2410 C GLN A 309 -34.172 55.652 35.184 1.00 55.14 2411 O GLN A 309 -33.800 55.496 36.348 1.00 55.53 22441122 N ASP A 310 -33.965 56.765 34.473 1.00 56.22 2413 CA ASP A 310 -33.255 57.948 34.979 1.00 57.53 2414 CB ASP A 310 -34.262 58.917 35.632 1.00 59.13 2415 CG ASP A 310 -33.624 60.232 36.084 1.00 62.14

2416 ODl ASP A 310 -32.836 60.822 35.309 1.00 64.63 2417 OD2 ASP A 310 -33.923 60.689 37.214 1.00 63.65

2418 C ASP A 310 -32.142 57.573 35.962 1.00 57.71 2419 O ASP A 310 32.140 58.012 37.116 1.00 57.65 2420 N CYS A 311 ^■31.181 56.777 35.494 1.00 56.95 2421 CA CYS A 311 ^■30.100 56.323 36.363 1.00 57.55 2422 CB CYS A 311 -29.695 54.890 36.006 1.00 59.40 2423 SG CYS A 311 -28.941 54.723 34.395 1.00 66.09 2424 C CYS A 311 -28.861 57.201 36.389 1.00 55.34 2425 O CYS A 311 -28.494 57.827 35.396 1, .00 56 .24 2426 N THR A 312 -28.224 57.226 37.551 1. .00 51 .72 2427 CA THR A 312 -27.028 58.010 37.773 1. .00 48. .73 2428 CB THR A 312 -27.304 59.135 38.812 1, .00 46 .41

2429 OGl THR A 312 -28.161 60.115 38.220 1. .00 46. .04

2430 CG2 THR A 312 -26.023 59.806 39.258 1, .00 41, .94

2431 C THR A 312 ^■25.933 57.070 38.272 1. .00 48, .47 22443322 O THR A 312 ^■26.166 56.243 39.161 1. .00 48, .80 2433 N MET A 313 ^■24.747 57.183 37.679 1 , .00 45, .96 2434 CA MET A 313 ^■23.626 56.343 38.069 1. .00 43 , .58 2435 CB MET A 313 -23.001 55.709 36.834 1. .00 44 , .05 2436 CG MET A 313 -23.833 54.619 36.202 1 , .00 46, .15 22443377 SD MET A 313 -23.201 54.191 34.561 1.00 52.55 2438 CE MET A 313 -21.586 53.646 34.976 1.00 54.73 2439 C MET A 313 -22.568 57.125 38.831 1.00 40.68 2440 O MET A 313 ■22.424 58.326 38.650 1.00 42.93

2441 N LEU A 314 ■21.852 56.432 39.705 1.00 37.58

2442 CA LEU A 314 ■20.775 57.024 40.484 1.00 35.26

2443 CB LEU A 314 ^■21.207 57.223 41.933 1.00 32.69

2444 CG LEU A 314 ■20.162 57.818 42.878 1.00 34.77

2445 CDl LEU A 314 ^■19.571 59.080 42.269 1.00 33.53

2446 CD2 LEU A 314 ^■20.790 58.115 44.223 1.00 32.65

2447 C LEU A 314 ^■19.634 56.010 40.386 1.00 36.03 2448 O LEU A 314 -19.727 54.903 40.910 1.00 35.28 22444499 N VAL A 315 -18.560 56.379 39.697 1.00 35.58

2450 CA VAL A 315 -17.461 55.446 39.515 1.00 34.38

2451 CB VAL A 315 -17.235 55.182 38.022 1.00 33.74

2452 CGI VAL A 315 -16.419 53.914 37.833 1.00 32.56

2453 CG2 VAL A 315 -18.575 55.092 37.312 1.00 34.09

22445544 C VAL A 315 -16.130 55.830 40.147 1.00 35.21 2455 O VAL A 315 -15.671 56.968 40.031 1.00 34.29 2456 N ASN A 316 -15.521 54.842 40.803 1.00 36.21 2457 CA ASN A 316 -14.225 54.972 41.475 1.00 37.11

2458 CB ASN A 316 -14.406 54.999 42.990 1.00 37.48 2459 CG ASN A 316 -14.760 56.368 43.512 1.00 39.00

2460 ODl ASN A 316 -13.905 57.064 44.053 1 , .00 40. .87

2461 ND2 ASN A 316 -16.017 56.766 43.353 1, .00 37. .59

2462 C ASN A 316 -13.363 53.773 41.113 1, .00 37, .89 2463 O ASN A 316 -13.327 52.780 41.841 1, .00 40, .07 22446644 N GLY A 317 -12.657 53.857 39.994 1. .00 39, .10

2465 CA GLY A 317 -11.837 52.735 39.590 1 , .00 38, .16

2466 C GLY A 317 -12.802 51.640 39.191 1. .00 39, .98

2467 O GLY A 317 -13.648 51.855 38.322 1. .00 41. .95 2468 N ASP A 318 -12.707 50.482 39.836 1. .00 38. .42

2469 CA ASP A 318 -13.583 49.361 39.516 1. .00 38. .32

2470 CB ASP A 318 -12.796 48.045 39.604 1. .00 35. .94

2471 CG ASP A 318 ^■12.444 47.662 41.033 1. .00 35. .32 2472 ODl ASP A 318 ^■12.337 48.558 41.890 1. .00 36. .31

2473 OD2 ASP A 318 ^■12.257 46.459 41.300 1. .00 37. .48 2474 C ASP A 318 ^■14.807 49.297 40.440 1. .00 38. .52

2475 O ASP A 318 15.633 48.391 40.327 1 , .00 38. .93

2476 N ASP A 319 -14.914 50.263 41.345 1.00 36.85 2477 CA ASP A 319 -16.022 50.308 42.286 1.00 37.30

2478 CB ASP A 319 -15.564 50.989 43.584 1.00 38.77

2479 CG ASP A 319 -16.550 50.800 44.734 1.00 43.30

2480 ODl ASP A 319 -16.230 50.027 45.666 1.00 42.60 2481 OD2 ASP A 319 -17.643 51.423 44.704 1.00 42.91

2482 C ASP A 319 -17.190 51.076 41.653 1.00 37.48

2483 O ASP A 319 -17.084 52.283 41.392 1.00 35.40

2484 N LEU A 320 18.303 50.377 41.412 1.00 36.03

2485 CA LEU A 320 19.475 50.994 40.793 1.00 34.63

2486 CB LEU A 320 -19.768 50.336 39.446 1.00 32.53

2487 CG LEU A 320 -21.058 50.786 38.751 1.00 32.22

2488 CDl LEU A 320 -20.934 52.215 38.288 1.00 29.62

2489 CD2 LEU A 320 -21.339 49.880 37.572 1.00 35.93

2490 C LEU A 320 -20.767 51.002 41.615 1.00 36.11

2491 O LEU A 320 ^■21.181 49.981 42.175 1.00 33.93 2492 N VAL A 321 -21.402 52.171 41.667 1.00 36.07

2493 CA VAL A 321 -22.658 52.324 42.378 1.00 37.63

2494 CB VAL A 321 -22.473 53.125 43.696 1.00 37.26

2495 CGI VAL A 321 -22.346 54.604 43.419 1.00 36.68

2496 CG2 VAL A 321 -23.627 52.844 44.619 1.00 35.88

2497 C VAL A 321 -23.655 53.021 41.455 1.00 38.71

2498 0 VAL A 321 -23.334 54.023 40.819 1.00 39.09

2499 N VAL A 322 -24.860 52.473 41.371 1.00 38.90

2500 CA VAL A 322 -25.894 53.025 40.500 1.00 40.17

2501 CB VAL A 322 -26.225 52.048 39.338 1.00 40.21

2502 CGI VAL A 322 ^■27.422 52.532 38.566 1.00 40.30

2503 CG2 VAL A 322 -25.043 51.914 38.410 1.00 39.85

2504 C VAL A 322 -27.189 53.304 41.244 1.00 42.27

2505 0 VAL A 322 -27.692 52.448 41.973 1.00 43.06 2506 N ILE A 323 -27.720 54.508 41.057 1.00 43.35

2507 CA ILE A 323 -28.989 54.901 41.663 1.00 43.99

2508 CB ILE A 323 -28.847 56.127 42.584 1.00 44.71

2509 CG2 ILE A 323 -30.228 56.548 43.107 1.00 42.83

2510 CGI ILE A 323 -27.912 55.795 43.745 1.00 43.50

2511 CDl ILE A 323 -27.824 56.894 44.772 1.00 45.24

2512 C ILE A 323 -29.937 55.256 40.523 1.00 44.85

2513 O ILE A 323 -29.620 56.084 39.665 1.00 43.41 2514 N CYS A 324 -31..103 54..623 40.,513 1..00 45..51

2515 CA CYS A 324 -32. .070 54. .863 39. ,452 1. .00 45, .36

2516 CB CYS A 324 -32. .050 53. .707 38. ,469 1. .00 46, .39

2517 SG CYS A 324 -32. .472 52. .156 39. ,274 1. .00 51, .62

2518 C CYS A 324 -33. .471 55. .003 39. .988 1. .00 44. .22

2519 0 CYS A 324 -33. .700 54. .965 41. .189 1. .00 45. .25

2520 N GLU A 325 -34. .409 55. .149 39. .066 1. .00 45. .02

2521 CA GLU A 325 -35, .820 55. .289 39. .385 1. .00 44. .60

2522 CB GLU A 325 -36, .474 56, .227 38, .357 1. .00 47 .18

2523 CG GLU A 325 -37, .882 56, .678 38, .691 1. .00 49 .12

2524 CD GLU A 325 -37, .924 57, .660 39, .839 1. .00 49 .90

2525 OEl GLU A 325 -37, .553 58, .836 39, .635 1, .00 49 .70

2526 OE2 GLU A 325 -38, .320 57, .248 40, .948 1. .00 51 .26

2527 C GLU A 325 -36, .410 53, .879 39 .288 1. .00 43 .55

2528 0 GLU A 325 -36, .249 53, .206 38 .269 1 , .00 43 .43

2529 N SER A 326 -37, .084 53, .434 40 .343 1. .00 42 .97

2530 CA SER A 326 -37, .666 52, .096 40 .368 1. .00 44. .54

2531 CB SER A 326 -38, .072 51, .732 41 .790 1. .00 45 .29

2532 OG SER A 326 -38, .582 50, .409 41 .824 1 , .00 46 .72

2533 C SER A 326 -38, .859 51, .835 39 .436 1, .00 45 .13

2534 0 SER A 326 -39 .563 52, .752 39 .009 1. .00 44 .40

2535 N ALA A 327 -39, .073 50, .560 39 .134 1 , .00 44. .12

2536 CA ALA A 327 -40, .161 50, .136 38 .269 1, .00 44 .41

2537 CB ALA A 327 -39 ,595 49, .681 36 .937 1. .00 43 .39

2538 C ALA A 327 -40, .915 48, .984 38 .950 1. .00 44 .96

2539 0 ALA A 327 -41, .623 48, .198 38 .297 1. .00 45. .65

2540 N GLY A 328 -40, .768 48, .901 40 .269 1. .00 43 .42

2541 CA GLY A 328 -41, .393 47. .829 41 .019 1. .00 41, .25

2542 C GLY A 328 -40, .335 46. .772 41 .294 1. .00 40, .94

2543 0 GLY A 328 -39, .533 46. .445 40, .420 1. .00 42, .02

2544 N THR A 329 -40, .338 46, ,221 42, .497 1. .00 39, .45

2545 CA THR A 329 -39.350 45.231 42.879 1.00 41.82

2546 CB THR A 329 -39.701 44.604 44.242 1.00 41.36

2547 OGl THR A 329 -40.863 43.778 44.107 1.00 40.99

2548 CG2 THR A 329 -39.950 45.699 45.272 1.00 38.97

2549 C THR A 329 -39.071 44.101 41.882 1.00 42.97

2550 O THR A 329 -37.927 43.674 41.746 1.00 45.62 2551 N GLN A 330 -40.082 43.606 41.180 1.00 43.35 2552 CA GLN A 330 -39.812 42.516 40.244 1-00 43.60 2553 CB GLN A 330 -41.091 41.751 39.894 1.00 45.42 2554 CG GLN A 330 -41.780 41.161 41.114 1.00 49.93 2555 CD GLN A 330 -42.809 40.112 40.766 1.00 53.38 2556 OEl GLN A 330 -42.522 38.911 40.777 1.00 55.55

2557 NE2 GLN A 330 -44.017 40.558 40.441 1.00 54.88

2558 C GLN A 330 ^■39.128 43.001 38.980 1.00 43.35

2559 O GLN A 330 ■38.173 42.375 38.512 1.00 44.34 2560 N GLU A 331 -39.603 44.106 38.419 1.00 41.48 2561 CA GLU A 331 ^■38.973 44.626 37.218 1.00 41.49 2562 CB GLU A 331 ^■39.751 45.819 36.662 1.00 42.21 2563 CG GLU A 331 -40.959 45.403 35.857 1.00 41.41 2564 CD GLU A 331 -42.215 45.286 36.691 1.00 40.66 2565 OEl GLU A 331 -42.133 44.844 37.860 1.00 36.58 2566 OE2 GLU A 331 -43.290 45.629 36.158 1.00 42.65 2567 C GLU A 331 -37.541 45.042 37.541 1.00 41.45 2568 O GLU A 331 -36.652 44.941 36.703 1.00 39.99 2569 N ASP A 332 -37.336 45.504 38.768 1.00 40.70

2570 CA ASP A 332 -36.025 45.920 39.221 1.00 41.57

2571 CB ASP A 332 -36.133 46.563 40.605 1.00 43.51

2572 CG ASP A 332 -36.575 48.017 40.547 1.00 46.82

2573 ODl ASP A 332 -36.732 48.616 41.640 1.00 46.27 2574 OD2 ASP A 332 ^■36.753 48.558 39.422 1.00 45.41 2575 C ASP A 332 ^■35.070 44.718 39.265 1.00 41.59 2576 O ASP A 332 -33.925 44.803 38.807 1.00 40.75 2577 N ALA A 333 ^•35.537 43.604 39.818 1.00 38.81

2578 CA ALA A 333 ^■34.711 42.407 39.898 1.00 39.03

2579 CB ALA A 333 •35.490 41.276 40.545 1.00 34.70

2580 C ALA A 333 ^■34.282 41.996 38.496 1.00 40.64 2581 O ALA A 333 ^■33.110 41.691 38.247 1.00 43.97 2582 N ALA A 334 35.250 42.000 37.586 1.00 39.47 2583 CA ALA A 334 -35.038 41.618 36.201 1.00 38.68 2584 CB ALA A 334 -36.392 41.528 35.471 1.00 37.81 2585 C ALA A 334 ^■34.120 42.564 35.445 1.00 37.39 2586 O ALA A 334 -33.389 42.138 34.560 1.00 38.32 2587 N SER A 335 -34.174 43.847 35.764 1.00 35.34 2588 CA SER A 335 -33.337 44.789 35.052 1.00 37.91

2589 CB SER A 335 -33.857 46.221 35.235 1.00 33.58

2590 OG SER A 335 ^■33.853 46.596 36.588 1.00 34.03

2591 C SER A 335 ^■31.875 44.661 35.509 1.00 40.24

2592 O SER A 335 -30.954 44.853 34.716 1.00 40.24

2593 N LEU A 336 -31.671 44.318 36.777 1.00 40.77

2594 CA LEU A 336 -30.327 44.141 37.299 1.00 41.76

2595 CB LEU A 336 -30.359 43.967 38.814 1.00 42.97

2596 CG LEU A 336 29. .735 45. .106 39, .618 1. .00 43, .55

2597 CDl LEU A 336 30. .408 46. .422 39. .261 1. .00 44 , .22

2598 CD2 LEU A 336 29. .868 44. .811 41. .098 1. .00 44 .64

2599 C LEU A 336 29. .706 42. .910 36. .660 1. .00 41, .58 2600 O LEU A 336 28, .527 42. .907 36 .316 1. .00 42, .46 2601 N ARG A 337 30, .508 41. .868 36 .495 1. .00 42, .16 2602 CA ARG A 337 30, .019 40, .642 35 .890 1. .00 44 , .07 2603 CB ARG A 337 31, .092 39, .546 35 .954 1. .00 45, .68

2604 CG ARG A 337 31, .255 38, .964 37 .366 1. .00 52, .12

2605 CD ARG A 337 32. .378 37. .939 37 .488 1. .00 56, .87

2606 NE ARG A 337 31. .944 36. .546 37 .378 1. .00 62, .13 2607 CZ ARG A 337 31, .663 35, .916 36 .238 1. .00 65, .05 2608 NHl ARG A 337 31, .760 36, .548 35 .072 1. .00 66, .21

2609 NH2 ARG A 337 - 3311,..330011 3344 ,..663377 36.264 11., ..0000 6655, ..8844

2610 C ARG A 337 - 2299...557700 4400...887788 34.456 11., ..0000 4444 , ..4488

2611 O ARG A 337 - 2288...559955 4400...227777 34..001 11., ..0000 4455, ..6688 2612 N VAL A 338 -30.265 41.759 33.743 1, .00 42 .77 2613 CA VAL A 338 -29.887 42.048 32.370 1, .00 41 .47 2614 CB VAL A 338 -31.058 42.694 31.595 1, .00 41 .76 2615 CGI VAL A 338 -30.552 43.442 30.362 1, .00 38 .47 2616 CG2 VAL A 338 -32.028 41.596 31.176 1, .00 41 .48 2617 C VAL A 338 -28.656 42.949 32.383 1. .00 40 .19 2618 O VAL A 338 -27.821 42.874 31.491 1, .00 40 .04 2619 N PHE A 339 -28.545 43.791 33.403 1. .00 39 .12 2620 CA PHE A 339 -27.382 44.657 33.544 1. .00 38. .68 2621 CB PHE A 339 -27.507 45.531 34.792 1. .00 36. .86

2622 CG PHE A 339 -26.284 46.367 35.073 1.00 37.71

2623 CDl PHE A 339 -26.160 47.652 34.544 1.00 34.95

2624 CD2 PHE A 339 -25.258 45.874 35.888 1.00 35.86 2625 CEl PHE A 339 -25.042 48.436 34.823 1.00 33.95 2626 CE2 PHE A 339 -24.137 46.653 36.170 1.00 34.65 2627 CZ PHE A 339 -24.029 47.933 35.640 1.00 33.50 2628 C PHE A 339 -26.167 43.727 33.699 1.00 38.73 2629 O PHE A 339 -25.141 43.912 33.055 1.00 36.84 2630 N THR A 340 -26.312 42.717 34.552 1.00 37.12 2631 CA THR A 340 -25.254 41.745 34.788 1.00 36.87 2632 CB THR A 340 -25.657 40.709 35.861 1.00 32.92 2633 OGl THR A 340 -26.024 41.381 37.070 1.00 32.10 2634 CG2 THR A 340 -24.508 39.772 36.148 1.00 30.52 2635 C THR A 340 -24.922 40.979 33.517 1.00 39.04 2636 0 THR A 340 -23.766 40.646 33.283 1.00 40.13 2637 N GLU A 341 -25.939 40.688 3322..770055 1.00 42.30

2638 CA GLU A 341 -25.745 39.937 31.460 1.00 43.60

2639 CB GLU A 341 -27.090 39.510 30.864 1.00 47.19

2640 CG GLU A 341 -27.650 38.204 31.454 1.00 51.47 2641 CD GLU A 341 -29.085 37.900 31.013 1. .00 53 .43 2642 OEl GLU A 341 -29.620 36.851 31.430 1. .00 54 .42

2643 OE2 GLU A 341 -29.679 38.703 30.257 1, .00 54 .95

2644 C GLU A 341 -24.963 40.728 30.434 1. .00 42 .96

2645 O GLU A 341 -24.178 40.164 29.670 1. .00 43 .40 2646 N ALA A 342 -25.182 42.038 30.416 1. .00 40 .37 2647 CA ALA A 342 -24.473 42.914 29.494 1. .00 38 .33 2648 CB ALA A 342 -25.171 44.268 29.432 1. .00 36 .01 2649 C ALA A 342 -23.010 43.075 29.954 1. .00 37, .67 2650 O ALA A 342 -22.077 42.948 29.163 1. .00 36, .92 2651 N MET A 343 -22.815 43.367 31.236 1. .00 37, .42 2652 CA MET A 343 -21.471 43.524 31.766 1. .00 36, .01 2653 CB MET A 343 -21.511 43.809 33.272 1. .00 33, .81 2654 CG MET A 343 -22.072 45.166 33.655 1. .00 33 , .23 2655 SD MET A 343 21.085 46.600 33.149 1.00 35.61 2656 CE MET A 343 19.966 46.711 34.545 1.00 31.55 2657 C MET A 343 -20.693 42.233 31.496 1.00 35.89 2658 O MET A 343 -19.533 42.267 31.116 1.00 35.54 2659 N THR A 344 -21.346 41.093 31.676 1.00 35.55

2660 CA THR A 344 -20.692 39.812 31.462 1.00 36.78

2661 CB THR A 344 -21.608 38.656 31.897 1.00 35.96 2662 OGl THR A 344 -21.926 38.806 33.289 1.00 36.15

2663 CG2 THR A 344 -20.929 37.317 31.675 1.00 32.76

2664 C THR A 344 -20.280 39.645 30.004 1.00 39.38

2665 0 THR A 344 -19.290 38.978 29.698 1.00 42.31

2666 N ARG A 345 21.040 40.261 29.105 1.00 41.42

2667 CA ARG A 345 20.732 40.199 27.684 1.00 41.53

2668 CB ARG A 345 -21.933 40.661 26.849 1.00 42.04

2669 CG ARG A 345 -22.953 39.577 26.535 1.00 44.09

2670 CD ARG A 345 -23.920 40.036 25.440 1.00 44.44

2671 NE ARG A 345 24, .868 41, .052 25, .898 1. .00 46, .83

2672 CZ ARG A 345 25, .981 40, .780 26, .574 1. .00 47, .60

2673 NHl ARG A 345 26, .282 39, .523 26, .867 1, .00 47, .45

2674 NH2 ARG A 345 26, .794 41, .761 26, .954 1. .00 48. .40

2675 C ARG A 345 19, .527 41, .104 27 .415 1, .00 42, .44

2676 0 ARG A 345 18, .626 40, .735 26 .666 1, .00 41. .52

2677 N TYR A 346 19, .532 42, .282 28 .040 1, .00 42. .96

2678 CA TYR A 346 18, .463 43, .272 27 .915 1, .00 44 , .46

2679 CB TYR A 346 18, .905 44, .620 28 .496 1, .00 44. .01

2680 CG TYR A 346 20, .058 45, .293 27, .786 1. .00 45. .52

2681 CDl TYR A 346 20, .954 46, .092 28, .495 1, .00 46. .16

2682 CEl TYR A 346 21, .985 46, .757 27 .853 1, .00 45. .18

2683 CD2 TYR A 346 - 2200,..223300 4455,..117733 26,.409 11. ..0000 4433. ..0011

2684 CE2 TYR A 346 - 2211,..225588 4455,..883355 25..760 11, ..0000 4433. ..8866

2685 CZ TYR A 346 22, .130 46, .629 26. .487 11.. . .0000 4444 , . .8855

2686 OH TYR A 346 - 2233,..113300 4477,..332277 25..848 11, ..0000 4477., ..7700 2687 C TYR A 346 - 1177,..221100 4422,..882222 28,.669 11.. ..0000 4466., ..0077

2688 O TYR A 346 - 1166,..229955 4433 ,..661133 28,.883 11.. ..0000 4477., ..3311

2689 N SER A 347 - 1177,..118877 4411...556677 29,.097 11., ..0000 4466., ..3300

2690 CA SER A 347 - 1166,..004411 4411...003333 29,.817 11., ..0000 4499., ..1122

2691 CB SER A 347 -14.764 41.255 29.015 1, .00 48, .65

2692 OG SER A 347 -13.654 40.811 29.763 1, .00 47, .69

2693 C SER A 347 -15.840 41.612 31.215 1, .00 50, .60

2694 O SER A 347 -14.735 42.063 31.556 1 , .00 53 , .52

2695 N ALA A 348 -16.899 41.598 32.020 1. .00 47, .29

2696 CA ALA A 348 -16.828 42.107 33.377 1. .00 43. .65 2697 CB ALA A 348 -16.988 43.619 33.386 1. .00 42 .14 2698 C ALA A 348 -17.882 41.456 34.262 1 .00 42 .74 2699 O ALA A 348 ^■18.748 42.134 34.823 1-00 41.11 2700 N PRO A 349 ^•17.829 40.118 34.380 1.00 42.55

2701 CD PRO A 349 ^■16.924 39.201 33.673 1.00 44.46

2702 CA PRO A 349 ^■18.767 39.360 35.203 1.00 43.60

2703 CB PRO A 349 ^■18.356 37.910 34.960 1.00 42.40 2704 CG PRO A 349 16.921 38.015 34.590 1.00 43.27 2705 C PRO A 349 18.649 39.772 36.662 1.00 44.01 2706 O PRO A 349 -17.665 40.393 37.071 1.00 43.68 2707 N PRO A 350 -19.658 39.426 37.469 1.00 43.25 2708 CD PRO A 350 -20.985 38.946 37.030 1.00 43.56 2709 CA PRO A 350 -19.677 39.772 38.889 1.00 41.72

2710 CB PRO A 350 ^■21.145 40.077 39.119 1.00 42.45

2711 CG PRO A 350 ^■21.791 38.962 38.325 1.00 42.08

2712 C PRO A 350 ^■19.186 38.694 39.839 1.00 40.72 2713 O PRO A 350 ^■18.944 37.559 39.445 1.00 40.23 2714 N GLY A 351 ^•19.035 39.084 41.100 1.00 41.02 2715 CA GLY A 351 ^■18.645 38.155 42.143 1.00 43.17 2716 C GLY A 351 ^■19.972 37.939 42.846 1.00 45.10 2717 O GLY A 351 ■20.663 36.954 42.59! 1.00 45.52 2718 N ASP A 352 -20.339 38.872 43.714 1.00 46.85 2719 CA ASP A 352 -21.627 38.802 44.395 1.00 49.63 2720 CB ASP A 352 -21.638 39.698 45.637 1.00 54.52 2721 CG ASP A 352 -20.625 39.271 46.683 1.00 60.20 2722 ODl ASP A 352 -20.392 40.058 47.632 1.00 63.58 2723 OD2 ASP A 352 -20.072 38.153 46.564 1.00 62.36 2724 C ASP A 352 -22.599 39.381 43.367 1.00 49.02 2725 0 ASP A 352 -22.377 40.482 42.852 1.00 49.50 2726 N PRO A 353 -23.675 38.654 43.032 1.00 47.41 2727 CD PRO A 353 -24.054 37.252 43.273 1.00 45.31 2728 CA PRO A 353 -24.561 39.274 42.044 1.00 43.63 2729 CB PRO A 353 -25.619 38.201 41.810 1.00 44.82 2730 CG PRO A 353 -24.865 36.933 42.027 1.00 45.05 2731 C PRO A 353 -25.142 40.562 42.610 1.00 41.36 2732 O PRO A 353 -25.356 40.681 43.811 1.00 41.16 2733 N PRO A 354 -25.386 41.550 41.752 1.00 39.64 2734 CD PRO A 354 -25.236 41.542 40.288 1.00 38.68 2735 CA PRO A 354 -25.947 42.813 42.228 1.00 38.70 2736 CB PRO A 354 -25.934 43.685 40.972 1.00 38.15

2737 CG PRO A 354 -26.127 42.689 39.868 1.00 38.71

2738 C PRO A 354 -27.352 42.631 42.831 1.00 40.16 2739 O PRO A 354 -28.126 41.792 42.384 1.00 39.87 2740 N GLN A 355 -27.661 43.415 43.859 1.00 42.82 2741 CA GLN A 355 -28.950 43.353 44.543 1.00 44.26 2742 CB GLN A 355 -28.775 42.827 45.963 1.00 46.39 2743 CG GLN A 355 -28.427 41.366 46.063 1.00 53.69 2744 CD GLN A 355 -29.539 40.478 45.554 1.00 57.03 2745 OEl GLN A 355 -29.926 39.511 46.213 1.00 58.87 2746 NE2 GLN A 355 -30.061 40.797 44.371 1.00 60.58

2747 C GLN A 355 -29.631 44.710 44.633 1.00 45.34 2748 O GLN A 355 -29.032 45.696 45.075 1.00 44.62 2749 N PRO A 356 -30.903 44.778 44.223 1.00 45.22

2750 CD PRO A 356 -31.775 43.734 43.664 1.00 46.07

2751 CA PRO A 356 -31.598 46.061 44.302 1.00 45.54

2752 CB PRO A 356 -32.898 45.793 43.537 1.00 45.39 2753 CG PRO A 356 -33.146 44.359 43.794 1.00 47.18 2754 C PRO A 356 -31.799 46.410 45.780 1.00 44.25 2755 O PRO A 356 -32.280 45.598 46.567 1.00 42.06 2756 N GLU A 357 -31.394 47.616 46.152 1.00 43.77 2757 CA GLU A 357 -31.485 48.065 47.532 1.00 43.93 2758 CB GLU A 357 -30.095 48.496 48.004 1.00 44.92 2759 CG GLU A 357 -29.918 48.548 49.499 1.00 50.15 2760 CD GLU A 357 -29.987 47.177 50.165 1.00 52.21 2761 OEl GLU A 357 -29.192 46.275 49.805 1.00 51.14

2762 OE2 GLU A 357 -30.838 47.013 51.065 1.00 53.67 2763 C GLU A 357 -32.448 49.237 47.566 1.00 43.15 2764 O GLU A 357 -32.475 50.034 46.637 1.00 44.77 22776655 N TYR A 358 -33.236 49.357 48.625 1.00 41.58

2766 CA TYR A 358 -34.191 50.449 48.681 1.00 40.75

2767 CB TYR A 358 -35.612 49.893 48.675 1.00 37.90

2768 CG TYR A 358 -35.935 49.152 47.399 1.00 38.04

2769 CDl TYR A 358 -35.744 47.767 47.297 1.00 37.05 2770 CEl TYR A 358 -35.993 47.090 46.104 1.00 34.91

2771 CD2 TYR A 358 ^■36.382 49.839 46.275 1.00 36.86

2772 CE2 TYR A 358 36.630 49.177 45.081 1.00 37.57 2773 CZ TYR A 358 -36.436 47.803 44.997 1.00 36.90

2774 OH TYR A 358 -36.693 47.161 43.798 1.00 38.15

2775 C TYR A 358 -34.007 51.394 49.842 1.00 42.23

2776 O TYR A 358 -34.823 52.290 50.056 1.00 43.18 2777 N ASP A 359 -32.924 51.199 50.581 1.00 43.29

2778 CA ASP A 359 -32.604 52.034 51.729 1.00 45.78

2779 CB ASP A 359 -32.743 51.215 53.019 1.00 47.96

2780 CG ASP A 359 -34.181 50.734 53.254 1.00 51.12

2781 ODl ASP A 359 -35.006 51.541 53.735 1.00 51.42 2782 OD2 ASP A 359 -34.490 49.557 52.946 1.00 50.01

2783 C ASP A 359 -31.181 52.564 51.571 1.00 46.21

2784 O ASP A 359 -30.201 51.845 51.775 1.00 46.21

2785 N LEU A 360 -31.093 53.835 51.200 1.00 47.29

2786 CA LEU A 360 -29.833 54.533 50.975 1.00 47.42 2787 CB LEU A 360 -30.068 56.047 51.025 1.00 48.94

2788 CG LEU A 360 -28.854 56.960 50.816 1.00 49.96

2789 CDl LEU A 360 -28.184 56.666 49.481 1.00 49.79

2790 CD2 LEU A 360 -29.309 58.401 50.878 1.00 49.07

2791 C LEU A 360 -28.671 54.176 51.895 1.00 47.01 2792 O LEU A 360 -27.535 54.060 51.428 1.00 46.87

2793 N GLU A 361 -28.947 54.006 53.188 1.00 45.63

2794 CA GLU A 361 -27.900 53.675 54.158 1.00 43.74

2795 CB GLU A 361 -28.348 54.045 55.575 1.00 43.70

2796 CG GLU A 361 -28.736 55.513 55.751 1.00 43.56 2797 CD GLU A 361 -29.377 55.802 57.098 1.00 45.04

2798 OEl GLU A 361 -30.364 56.579 57.115 1.00 44.03

2799 OE2 GLU A 361 -28.894 55.260 58.128 1.00 41.32

2800 C GLU A 361 -27.459 52.207 54.132 1.00 44.11

2801 O GLU A 361 -26.452 51.843 54.755 1.00 43.53

2802 N LEU A 362 -28.196 51.357 53.421 1.00 42.52

2803 CA LEU A 362 -27.811 49.950 53.362 1.00 42.49

2804 CB LEU A 362 -29.042 49.047 53.403 1.00 43.23

2805 CG LEU A 362 -29.833 49.116 54.713 1.00 46.09

2806 CDl LEU A 362 -30.851 47.990 54.758 1.00 45.16

2807 CD2 LEU A 362 -28.886 49.011 55.894 1.00 43.98

2808 C LEU A 362 26.979 49.645 52.128 1.00 41.38

2809 O LEU A 362 26.686 48.490 51.837 1.00 41.62 2810 N ILE A 363 -26.601 50.696 51.408 1.00 40.35 2811 CA ILE A 363 -25.785 50.557 50.212 1.00 39.66 2812 CB ILE A 363 -26.156 51.614 49.169 1.00 41.06 2813 CG2 ILE A 363 -25.313 51.416 47.919 1.00 42.03 2814 CGI ILE A 363 -27.642 51.521 48.830 1.00 41.18 2815 CDl ILE A 363 -28.091 52.473 47.731 1.00 41.11 2816 C ILE A 363 -24.292 50.712 50.536 1.00 38.22 2817 0 ILE A 363 -23.901 51.573 51.315 1.00 37.36 2818 N THR A 364 -23.456 49.867 49.954 1.00 36.87 22881199 CA THR A 364 -22.027 49.976 50.193 1.00 37.51 2820 CB THR A 364 -21.492 48.761 51.010 1.00 39.53

2821 OGl THR A 364 -22.012 48.823 52.344 1.00 42.08

2822 CG2 THR A 364 -19.969 48.762 51.075 1.00 39.63

2823 C THR A 364 -21.256 50.106 48.879 1.00 37.09 2824 0 THR A 364 -21.269 49.209 48.040 1.00 36.34 2825 N SER A 365 -20.613 51.252 48.705 1.00 36.45 2826 CA SER A 365 -19.803 51.528 47.526 1.00 38.64

2827 CB SER A 365 -20.533 52.490 46.583 1 . 00 37 . 41

2828 OG SER A 365 -20.929 53.666 47.256 1 . 00 36 . 72

2829 C SER A 365 -18.498 52.148 48.042 1 . 00 40 . 14 2830 O SER A 365 -18.527 53.109 48.813 1 . 00 38 . 77 2831 N CYS A 366 -17.363 51.589 47.614 1 . 00 40 . 72 2832 CA CYS A 366 -16.047 52.037 48.066 1 . 00 41 . 15 2833 CB CYS A 366 -15.886 53.560 47.940 1 . 00 40 . 73 22883344 SG CYS A 366 -15.712 54.195 46.252 1.00 47.21 2835 C CYS A 366 -15.889 51.631 49.531 1.00 41.38 2836 0 CYS A 366 -15.265 52.345 50.315 1.00 43.45 2837 N SER A 367 -16.476 50.491 49.890 1.00 40.38 2838 CA SER A 367 -16.418 49.959 51.253 1.00 39.80 22883399 CB SER A 367 -14.971 49.681 51.647 1.00 39.03

2840 OG SER A 367 -14.373 48.782 50.747 1.00 40.74

2841 C SER A 367 -17.027 50.865 52.313 1.00 38.64

2842 O SER A 367 -16.691 50.749 53.488 1.00 40.28 2843 N SER A 368 -17.917 51.761 51.907 1.00 38.45 22884444 CA SER A 368 -18.531 52.697 52.847 1.00 38.43 2845 CB SER A 368 -17.831 54.070 52.781 1.00 40.45

2846 OG SER A 368 -16.504 53.985 52.287 1.00 43.08 2847 C SER A 368 -20..017 52..919 52,.564 1..00 36..65

2848 0 SER A 368 -20. .513 52. .619 51, .479 1. .00 33 , .28

2849 N ASN A 369 -20. .703 53. .482 53 , .554 1. .00 35. .96

2850 CA ASN A 369 -22. .117 53. .784 53 , .444 1. .00 35. .22

2851 CB ASN A 369 -22. .966 52. .694 54 , .119 1. .00 35. .09

2852 CG ASN A 369 -22. .786 52. .647 55, .648 1. .00 37, .36

2853 ODl ASN A 369 -21. .848 52. .032 56, .161 1. .00 40, .07

2854 ND2 ASN A 369 -23. .690 53 , .302 56, .373 1. .00 36, .18

2855 C ASN A 369 -22. .429 55, .121 54 , .101 1. .00 35, .61

2856 0 ASN A 369 -21. .665 55, .621 54 , .917 1. .00 33, .99

2857 N VAL A 370 -23. .568 55, .687 53, .725 1. .00 37, .48

2858 CA VAL A 370 -24. .048 56, .924 54, .295 1. .00 40, ,55

2859 CB VAL A 370 -25, .044 57, .587 53, .338 1. .00 41, .78

2860 CGI VAL A 370 -25, .633 58, .846 53 .971 1. .00 41, .06

2861 CG2 VAL A 370 -24, .338 57, .924 52 .027 1. .00 43, .25

2862 C VAL A 370 -24 , .762 56, .597 55 .625 1. .00 43, .99

2863 0 VAL A 370 -25, .346 55. .513 55 .790 1, .00 43, .67

2864 N SER A 371 -24, .690 57, .519 56, .581 1. .00 45, .57

2865 CA SER A 371 -25, .353 57, .338 57 .874 1. .00 47, .47

2866 CB SER A 371 -24, .455 56, .574 58 .851 1. .00 46, .36

2867 OG SER A 371 -25, .185 56, .205 60 .005 1, .00 46, .08

2868 C SER A 371 -25, .780 58, .692 58 .468 1, .00 48, .39

2869 0 SER A 371 -25, .547 59, ,750 57, .870 1. .00 49, .19

2870 N VAL A 372 -26. .392 58, .669 59, .646 1, .00 48, .69

2871 CA VAL A 372 -26. .889 59, .903 60, .229 1, .00 48, .28

2872 CB VAL A 372 -28. .438 59, .877 60, .275 1, .00 48, .70

2873 CGI VAL A 372 -28. .991 61, .266 60, .597 1, .00 52, .23

2874 CG2 VAL A 372 -28, .980 59, .398 58, .954 1, .00 46, .81

2875 C VAL A 372 -26.374 60.201 61.619 1.00 48.89

2876 0 VAL A 372 -25.896 59.320 62.321 1.00 49.31

2877 N ALA A 373 -26.473 61.469 61.995 1.00 49.86

2878 CA ALA A 373 -26.068 61.964 63.305 1.00 51.53

2879 CB ALA A 373 -24.565 61.914 63.463 1.00 50.29

2880 C ALA A 373 -26.565 63.401 63.335 1.00 53.28

2881 O ALA A 373 -27.119 63.876 62.343 1.00 53.31

2882 N HIS A 374 -26.381 64.099 64.451 1.00 54.60

2883 CA HIS A 374 -26.866 65.474 64.532 1.00 57.27 2884 CB HIS A 374 -28.066 65.553 65.495 1.00 58.58

2885 CG HIS A 374 -29.203 64.648 65.122 1.00 59.57

2886 CD2 HIS A 374 -30.384 64.905 64.510 1.00 59.95

2887 NDl HIS A 374 -29.176 63.286 65.342 1.00 60.36

2888 CEl HIS A 374 -30.290 62.745 64.882 1.00 60.65

2889 NE2 HIS A 374 -31.040 63.705 64.371 1.00 60.21

2890 C HIS A 374 -25.805 66.489 64.943 1.00 58.06

2891 O HIS A 374 -24.844 66.157 65.640 1.00 57.83

2892 N ASP A 375 -25.992 67.731 64.503 1.00 59.96

2893 CA ASP A 375 -25.062 68.812 64.827 1.00 61.94

2894 CB ASP A 375 -25.001 69.837 63.685 1.00 61.53

2895 CG ASP A 375 -26.314 70.566 63.483 1.00 60.87

2896 ODl ASP A 375 -26.990 70.841 64.494 1.00 59.77

2897 OD2 ASP A 375 -26.665 70.878 62.322 1.00 60.92

2898 C ASP A 375 -25.442 69.531 66.125 1.00 63.43

2899 0 ASP A 375 -26.147 68.985 66.976 1.00 63.03

2900 N ALA A 376 -24.971 70.768 66.259 1.00 65.90

2901 CA ALA A 376 -25.230 71.585 67.441 1.00 66.86

2902 CB ALA A 376 -24.486 72.919 67.327 1.00 66.54 2903 C ALA A 376 -26.718 71.836 67.646 1.00 67.53 2904 O ALA A 376 -27.295 71.397 68.645 1.00 68.06 2905 N SER A 377 -27.334 72.542 66.700 1.00 67.67 2906 CA SER A 377 -28.759 72.862 66.779 1.00 69.25 2907 CB SER A 377 -29.105 73.981 65.791 1.00 69.51

2908 OG SER A 377 -28.963 73.540 64.450 1.00 70.56

2909 C SER A 377 -29.660 71.654 66.511 1.00 69.19

2910 O SER A 377 -30.778 71.802 66.016 1.00 68.99 2911 N GLY A 378 -29.164 70.461 66.832 1.00 68.94 2912 CA GLY A 378 -29.942 69.252 66.629 1.00 68.82 2913 C GLY A 378 30.372 68.940 65.200 1.00 68.95 2914 O GLY A 378 31.247 68.089 64.990 1.00 69.72 2915 N LYS A 379 -29.776 69.611 64.217 1.00 67.21 2916 CA LYS A 379 -30.124 69.356 62.822 1.00 66.16 2917 CB LYS A 379 -29.597 70.484 61.918 1.00 66.55

2918 CG LYS A 379 -30.017 70.341 60.451 1.00 67.48

2919 CD LYS A 379 -29.589 71.522 59.584 1.00 67.20

2920 CE LYS A 379 -30.095 71.344 58.152 1.00 66.28 22992211 NZ LYS A 379 -29.868 72.548 57.298 1.00 65.77 22992222 C LYS A 379 -29.560 68.001 62.363 1.00 65.57 22992233 0 LYS A 379 -28.496 67.558 62.820 1.00 65.72 22992244 N ARG A 380 ■30.285 67.348 61.461 1.00 64.34 22992255 CA ARG A 380 ^■29.890 66.047 60.929 1.00 63.82 22992266 CB ARG A 380 -31.114 65.407 60.267 1.00 65.34 22992277 CG ARG A 380 -31.032 63.921 59.952 1.00 66.92 22992288 CD ARG A 380 -32.350 63.488 59.311 1.00 68.31

2929 NE ARG A 380 -32.338 62.144 58.731 1.00 68.57

2930 CZ ARG A 380 -32.221 61.016 59.426 1.00 69.57

2931 NHl ARG A 380 -32.093 61.045 60.749 1.00 68.82

2932 NH2 ARG A 380 -32.259 59.849 58.791 1.00 70.97

22993333 C ARG A 380 -28.739 66.224 59.918 1.00 62.81

22993344 0 ARG A 380 -28.854 66.985 58.951 1.00 61.91

22993355 N VAL A 381 -27.630 65.526 60.155 1.00 61.42

22993366 CA VAL A 381 -26.458 65.611 59.284 1.00 59.61

22993377 CB VAL A 381 -25.269 66.276 60.023 1.00 60.22

2938 CGI VAL A 381 -24.057 66.391 59.094 1.00 60.51

2939 CG2 VAL A 381 -25.676 67.644 60.522 1.00 61.99

22994400 C VAL A 381 -26.002 64.241 58.782 1.00 57.83

22994411 0 VAL A 381 -25.939 63.279 59.551 1.00 57.47

22994422 N TYR A 382 -25.683 64.167 57.490 1.00 56.12

22994433 CA TYR A 382 -25.212 62.928 56.869 1.00 54.61

22994444 CB TYR A 382 -25.808 62.768 55.469 1.00 54.29

22994455 CG TYR A 382 ^■27.303 62.546 55.427 1.00 56.34

2946 CDl TYR A 382 ^■28.178 63.592 55.135 1.00 56.77

2947 CEl TYR A 382 -29.564 63.377 55.038 1.00 57.36

2948 CD2 TYR A 382 -27.846 61.276 55.631 1.00 58.03

2949 CE2 TYR A 382 -29.231 61.048 55.537 1.00 58.86

2950 CZ TYR A 382 -30.083 62.104 55.238 1.00 58.59

2951 OH TYR A 382 -31.443 61.881 55.123 1.00 58.64

2952 C TYR A 382 -23.685 62.908 56.755 1.00 52.76

2953 0 TYR A 382 -23.064 63.930 56.476 1.00 55.63

2954 N TYR A 383 -23.083 61.746 56.976 1.00 50.42

2955 CA TYR A 383 -21.635 61.596 56.874 1.00 47.33

2956 CB TYR A 383 -20.978 61.783 58.252 1.00 45.81

2957 CG TYR A 383 -21.255 60.672 59.238 1.00 45.27 2958 CDl TYR A 383 -22.507 60.538 59.848 1.00 43.88

2959 CEl TYR A 383 -22.778 59.472 60.727 1.00 43.02 2960 CD2 TYR A 383 ^■20.276 59.725 59.530 1.00 44.80 2961 CE2 TYR A 383 -20.533 58.658 60.405 1.00 45.06 2962 CZ TYR A 383 -21.784 58.536 60.999 1.00 43.43

2963 OH TYR A 383 -22.025 57.480 61.848 1.00 40.46

2964 C TYR A 383 -21.284 60.215 56.284 1.00 45.80

2965 O TYR A 383 -22.168 59.392 56.066 1.00 46.23

2966 N LEU A 384 -20.001 59.964 56.026 1.00 44.74 2967 CA LEU A 384 -19.569 58.692 55.442 1.00 43.59

2968 CB LEU A 384 -18.626 58.945 54.266 1.00 45.07

2969 CG LEU A 384 -18.220 57.731 53.425 1.00 47.22

2970 CDl LEU A 384 -19.406 57.289 52.565 1.00 45.45

2971 CD2 LEU A 384 -17.018 58.086 52.536 1.00 45.58 2972 C LEU A 384 -18.855 57.826 56.461 1.00 42.47

2973 O LEU A 384 -18.035 58.310 57.231 1.00 44.40

2974 N THR A 385 -19.146 56.536 56.461 1.00 39.86

2975 CA THR A 385 -18.504 55.641 57.414 1.00 38.53

2976 CB THR A 385 19.321 55.569 58.750 1.00 39.47 2977 OGl THR A 385 ^■18.699 54.645 59.657 1.00 39.88

2978 CG2 THR A 385 ^•20.757 55.134 58.481 1.00 37.74

2979 C THR A 385 ^■18.374 54.258 56.806 1.00 37.57

2980 O THR A 385 ^■18.702 54.059 55.640 1.00 38.55

2981 N ARG A 386 ^•17.890 53.306 57.593 1.00 36.95 2982 CA ARG A 386 -17.733 51.930 57.130 1.00 39.78

2983 CB ARG A 386 -16.511 51.804 56.202 1.00 39.44

2984 CG ARG A 386 -15.185 52.281 56.820 1.00 38.76

2985 CD ARG A 386 -13.974 51.797 56.039 1.00 34.25

2986 NE ARG A 386 ^■13.748 50.367 56.209 1.00 32.50 2987 CZ ARG A 386 ^■13.097 49.603 55.334 1.00 33.06

2988 NHl ARG A 386 ^■12.613 50.142 54.225 1.00 31.29

2989 NH2 ARG A 386 •12.926 48.300 55.563 1.00 29.43

2990 C ARG A 386 ^■17.535 51.027 58.336 1.00 41.32

2991 O ARG A 386 ^■17.449 51.506 59.463 1.00 40.95 2992 N ASP A 387 ^•17.496 49.719 58.110 1.00 43.74

2993 CA ASP A 387 ^■17.239 48.791 59.203 1.00 46.13

2994 CB ASP A 387 ■17.379 47.346 58.718 1.00 45.51 2995 CG ASP A 387 ■16.786 46.345 59.687 1.00 49.13

2996 ODl ASP A 387 ■17.008 45.130 59.507 1.00 51.81

2997 OD2 ASP A 387 -16.084 46.764 60.629 1.00 51.09

2998 C ASP A 387 -15.781 49.113 59.573 1.00 46.67

2999 O ASP A 387 -14.910 49.149 58.704 1.00 47.80

3000 N PRO A 388 -15.504 49.365 60.861 1.00 46.13

3001 CD PRO A 388 -16.474 49.576 61.952 1.00 46.58

3002 CA PRO A 388 -14.145 49.693 61.300 1.00 44.79

3003 CB PRO A 388 -14.399 50.532 62.543 1.00 45.93

3004 CG PRO A 388 -15.575 49.845 63.147 1.00 46.31 3005 C PRO A 388 ^■13.211 48.522 61.574 1.00 43.99 3006 O PRO A 388 •12.122 48.704 62.108 1.00 45.38 3007 N THR A 389 ^■13.629 47.326 61.197 1.00 42.17

3008 CA THR A 389 ^■12.830 46.130 61.425 1.00 41.27

3009 CB THR A 389 - ^•1133..554433 4444..889988 60.842 1.00 40.53

3010 OGl THR A 389 ^■14.820 44.756 61.472 1.00 38.80

3011 CG2 THR A 389 ^■12.718 43.642 61.054 1.00 37.29

3012 C THR A 389 ^■11.419 46.202 60.844 1.00 42.83

3013 O THR A 389 ^■10.425 45.988 61.552 1.00 43.78

3014 N VAL A 390 - 1111..333366 4466..448877 59.550 1.00 42.41 3015 CA VAL A 390 ^■10.050 46.585 58.870 1.00 42.13 3016 CB VAL A 390 •10.247 46.616 57.328 1.00 41.72

3017 CGI VAL A 390 -8.981 47.074 56.640 1.00 43.85

3018 CG2 VAL A 390 ^■10.621 45.223 56.837 1.00 38.82

3019 C VAL A 390 -9.263 47.807 59.340 1.00 42.37

3020 O VAL A 390 -8.094 47.695 59.693 1.00 41.02

3021 N PRO A 391 9.893 48.990 59.356 1.00 43.86

3022 CD PRO A 391 11.183 49.392 58.768 1.00 43.23

3023 CA PRO A 391 -9.142 50.161 59.813 1.00 45.48

3024 CB PRO A 391 ^■10.188 51.269 59.779 1.00 45.14

3025 CG PRO A 391 ^■11.006 50.891 58.578 1.00 45.24

3026 C PRO A 391 -8.523 49.971 61.204 1.00 47.88

3027 O PRO A 391 -7.460 50.521 61.501 1.00 49.27

3028 N LEU A 392 -9.175 49.190 62.057 1.00 48.70

3029 CA LEU A 392 -8.641 48.972 63.391 1.00 48.80

3030 CB LEU A 392 -9.768 48.655 64.386 1.00 47.92

3031 CG LEU A 392 ^■10.641 49.838 64.830 1.00 47.93 3032 CDl LEU A 392 -11,.621 49..400 65..898 1..00 47.02

3033 CD2 LEU A 392 -9. .763 50. .943 65. ,375 1. , 00 47. .68

3034 C LEU A 392 -7. .580 47. .878 63 , .423 1. .00 50. .01

3035 0 LEU A 392 -6. .657 47. .941 64. .231 1. .00 51. .94

3036 N ALA A 393 -7. .698 46. .875 62. .560 1. .00 49. .96

3037 CA ALA A 393 -6. .701 45, .809 62. .553 1. .00 50 .87

3038 , CB ALA A 393 -7, .171 44. .623 61 .717 1. .00 47 .96

3039 C ALA A 393 -5. .419 46. .379 61. .977 1. .00 52, .45

3040 0 ALA A 393 -4. .325 45, .885 62. .255 1. .00 53, .79

3041 N ARG A 394 -5. .558 47, .419 61, .164 1. .00 52, .65

3042 CA ARG A 394 -4. .394 48, .052 60, .570 1. .00 53 .93

3043 CB ARG A 394 -4 , .764 48, .720 59 .249 1. .00 51 .91

3044 CG ARG A 394 -4 , .817 47, .740 58 .110 1. .00 48 .20

3045 CD ARG A 394 -5. .410 48, .356 56 .869 1. .00 46, .57

3046 NE ARG A 394 -5, .473 47, .359 55, .806 1. .00 47, .05

3047 CZ ARG A 394 -6, .007 47, .557 54 .607 1. .00 45, .01

3048 NHl ARG A 394 -6. .538 48, .728 54 .292 1. .00 46 .59

3049 NH2 ARG A 394 -6. .009 46 .575 53 .723 1. .00 43 .65

3050 C ARG A 394 -3. .836 49 .070 61 .546 1, .00 55 .27

3051 0 ARG A 394 -2 .623 49 .249 61 .644 1. .00 55 .41

3052 N ALA A 395 -4 , .729 49, .730 62, .273 1. .00 56, .38

3053 CA ALA A 395 -4. .319 50, .716 63, .263 1. .00 57, .71

3054 CB ALA A 395 -5. .547 51, .409 63 .861 1. .00 56, .71

3055 C ALA A 395 -3, .516 50, .018 64 .362 1, .00 58, .01

3056 0 ALA A 395 -2. .616 50 .611 64 .953 1, .00 60 .73

3057 N ALA A 396 -3. .838 48 .751 64 .613 1, .00 57 .52

3058 CA ALA A 396 -3. .165 47, .955 65. .636 1. .00 57, .13

3059 CB ALA A 396 -4. .060 46, .790 66, .059 1. .00 55, .29

3060 C ALA A 396 -1. .821 47. .428 65, .139 1. .00 56, .97

3061 0 ALA A 396 -0, .827 47, .440 65, .867 1. .00 57, .17

3062 N TRP A 397 -1, .806 46, .957 63, .897 1, .00 56, .85

3063 CA TRP A 397 -0, .596 46, .430 63 .282 1. .00 56, .98

3064 CB TRP A 397 -0. .933 45, .821 61 .923 1. .00 53. .51

3065 CG TRP A 397 0. .252 45. .312 61, .170 1. .00 51. .45

3066 CD2 TRP A 397 0. .615 43. .939 60, .976 1. ,00 49. .93

3067 CE2 TRP A 397 1. .787 43 , .924 60. .188 1. .00 48. .72

3068 CE3 TRP A 397 0. .060 42. .718 61. .388 1. .00 50. .53 3069 CDl TRP A 397 1.193 46.055 60.513 1.00 49.88

3070 NEl TRP A 397 2.117 45.226 59.919 1.00 50.01

3071 CZ2 TRP A 397 2.415 42.737 59.803 1.00 49.76

3072 CZ3 TRP A 397 0.686 41.531 61.001 1.00 51.44 3073 CH2 TRP A 397 1.852 41.553 60.216 1.00 50.55

3074 C TRP A 397 0.440 47.541 63.107 1.00 58.64

3075 O TRP A 397 1.617 47.345 63.389 1.00 58.77

3076 N GLU A 398 ^■ 0 . 009 48.704 62.638 1.00 60.35

3077 CA GLU A 398 0 . 864 49.850 62.424 1.00 61.11 3078 CB GLU A 398 0 . 174 50.874 61.522 1.00 59.89

3079 CG GLU A 398 ^■ 0 . 284 50.307 60.190 1.00 59.07

3080 CD GLU A 398 ^■ 1 . 015 51.327 59.340 1.00 59.33

3081 OEl GLU A 398 ^• 1 . 521 50.938 58.269 1.00 59.07

3082 OE2 GLU A 398 ^■1.085 52.512 59.737 1.00 58.57 3083 C GLU A 398 1.220 50.501 63.754 1.00 63.49

3084 0 GLU A 398 1.885 51.537 63.790 1.00 65.95

3085 N THR A 399 0.758 49.899 64.848 1.00 65.27

3086 CA THR A 399 1. .032 50, .404 66.195 1.00 63.68

3087 CB THR A 399 0, .262 50, .392 67.078 1.00 62.78

3088 OGl THR A 399 0. .990 51, .610 66.878 1.00 63.13

3089 CG2 THR A 399 0, .071 5500., .225566 68.549 1.00 62.72

3090 C THR A 399 2. .110 49, .524 66.818 1.00 63.46

3091 0 THR A 399 2. .745 49, .907 67.797 1.00 64.21

3092 N ALA A 400 2, .323 48, .350 66.228 1.00 62.54

3093 CA ALA A 400 3 , .332 47, .412 66.716 1.00 63.87

3094 CB ALA A 400 2, .678 46. .073 67.050 1.00 62.77

3095 C ALA A 400 4 , .457 47 , .202 65.697 1.00 64.32

3096 0 ALA A 400 5.349 46.373 65.902 1.00 64.37

3097 N ARG A 401 4.415 47.956 64.604 1.00 65.00

3098 CA ARG A 401 5.412 47.836 63.548 1.00 65.78

3099 CB ARG A 401 5.084 46.656 62.644 1.00 66.15

3100 CG ARG A 401 5.198 45.308 63.317 1.00 69.51

3101 CD ARG A 401 4.329 44.290 62.618 1.00 72.60

3102 NE ARG A 401 4.693 42.925 62.972 1.00 75.50

3103 CZ ARG A 401 5.890 42.399 62.738 1.00 78.35

3104 NHl ARG A 401 6.836 43.131 62.150 1.00 79.01

3105 NH2 ARG A 401 6.139 41.142 63.083 1.00 78.96 3106 C ARG A 401 5.448 49-092 62.708 1.00 66.54 3107 O ARG A 401 4.426 49.535 62.193 1.00 66.70 3108 N HIS A 402 6.638 49.661 62.569 1.00 68.78 3109 CA HIS A 402 6.812 50.873 61.785 1.00 68.25 3110 CB HIS A 402 8.270 51.349 61.871 1.00 68.91

3111 CG HIS A 402 8.540 52.622 61.128 1.00 70.22

3112 CD2 HIS A 402 8.242 53.911 61.426 1.00 70.88

3113 NDl HIS A 402 9.184 52.650 59.909 1.00 69.65

3114 CEl HIS A^~402 9.273 53.901 59.488 1.00 69.80

3115 NE2 HIS A 402 8.710 54.686 60.390 1.00 70.22

3116 C HIS A 402 6.440 50.587 60.338 1.00 67.71

3117 O HIS A 402 6.768 49.525 59.796 1.00 66.26 3118 N THR A 403 5.728 51.530 59.731 1.00 67.30

3119 CA THR A 403 5.323 51.415 58.338 1.00 68.00

3120 CB THR A 403 3.799 51.087 58.200 1.00 66.65

3121 OGl THR A 403 3.024 52.116 58.821 1.00 65.83

3122 CG2 THR A 403 3.469 49.744 58.861 1.00 64.27

3123 C THR A 403 5.634 52.772 57.703 1.00 69.41

3124 O THR A 403 5.375 53.811 58.311 1.00 69.51

3125 N PRO A 404 6.214 52.779 56.484 1.00 70.89

3126 CD PRO A 404 6.474 51.606 55.628 1.00 71.61

3127 CA PRO A 404 6.561 54.020 55.777 1.00 70.56

3128 CB PRO A 404 7.070 53.517 54.422 1.00 71.84 3129 CG PRO A 404 7.552 52.122 54.717 1.00 72.02

3130 C PRO A 404 5.327 54.910 55.623 1.00 70.50

3131 O PRO A 404 5.329 56.095 55.988 1.00 70.39

3132 N VAL A 405 4.277 54.317 55.063 1.00 69.38

3133 CA VAL A 405 3.014 55.002 54.857 1.00 68.27

3134 CB VAL A 405 2.567 54.881 53.388 1.00 68.75

3135 CGI VAL A 405 1.299 55.683 53.156 1.00 70.64

3136 CG2 VAL A 405 3.676 55.375 52.473 1.00 69.99

3137 C VAL A 405 2.009 54.309 55.776 1.00 66.41

3138 O VAL A 405 1.915 53.083 55.782 1.00 67.21

3139 N ASN A 406 1.274 55.086 56.564 1.00 64.61

3140 CA ASN A 406 0.309 54.511 57.490 1.00 63.73

3141 CB ASN A 406 0.363 55.242 58.828 1.00 64.51

3142 CG ASN A 406 ^■0.167 56.655 58.733 1.00 66.86 3143 ODl ASN A 406 ■1.342 56.875 58.408 1.00 66.04

3144 ND2 ASN A 406 0.699 57.628 59.007 1.00 68.96

3145 C ASN A 406 ^•1.103 54.602 56.940 1.00 62.74 3146 O ASN A 406 ^■1.337 55.236 .55.907 1.00 64.01 3147 N SER A 407 -2.046 53.971 57.635 1.00 58.64 3148 CA SER A 407 -3.430 54.016 57.201 1.00 55.80

3149 CB SER A 407 -3.976 52.595 56.968 1.00 53.97

3150 OG SER A 407 -3.980 51.813 58.145 1.00 52.78

3151 C SER A 407 •4.290 54.767 58.212 1.00 53.75 3152 0 SER A 407 ^■5.283 55.393 57.842 1.00 51.52

3153 N TRP A 408 ^■3.883 54.736 59.479 1.00 52.38

3154 CA TRP A 408 ^■4.650 55.396 60.535 1.00 52.71

3155 CB TRP A 408 ^■4.015 55.136 61.906 1.00 54.01

3156 CG TRP A 408 2, .632 55. .696 62. .082 1. .00 55. .68 3157 CD2 TRP A 408 2, .293 57. .010 62. .539 1. .00 54. .00

3158 CE2 TRP A 408 0. .886 57. .089 62. .574 1. .00 54, .48

3159 CE3 TRP A 408 3. .045 58. .127 62, .923 1. .00 53, .95

3160 CDl TRP A 408 1, .448 55. .052 61, .859 1. .00 55, .49

3161 NEl TRP A 408 0, .396 55. .882 62. .154 1. .00 55, .04 3162 CZ2 TRP A 408 0, .211 58. .244 62. .979 1. .00 55, .49

3163 CZ3 TRP A 408 2 .376 59. .277 63, .324 1. .00 53, .38

3164 CH2 TRP A 408 0. .972 59. .326 63, .350 1. .00 55, .57

3165 C TRP A 408 4 .865 56. .897 60, .355 1. .00 51, ,44

3166 0 TRP A 408 5 .973 57, .401 60, .559 1, .00 53, .00 3167 N LEU A 409 3 .809 57, .611 59, .984 1, .00 50, .92

3168 CA LEU A 409 3 .896 59, .051 59, .777 1. .00 48, .16

3169 CB LEU A 409 2 .498 59, .628 59, .511 1 , .00 49, .71

3170 CG LEU A 409 2 .435 61, .080 59, .022 1. .00 50, .79

3171 CDl LEU A 409 3 .088 62. .001 60, .044 1. .00 50, .72 3172 CD2 LEU A 409 0 .984 61. .475 58, .778 1, .00 51, .10

3173 C LEU A 409 4 .820 59. .336 58, .602 1. .00 46, .27

3174 O LEU A 409 5 .590 60. .301 58, .616 1. .00 46, .06

3175 N GLY A 410 4 .727 58, .488 57, .581 1, .00 44 , .80

3176 CA GLY A 410 5 .566 58, .636 56, .408 1, .00 42, .08

3177 C GLY A 410 6 .997 58, .349 56, .814 1, .00 42, .92

3178 O GLY A 410 7. .930 59. .043 56. .380 1. .00 42. .33

3179 N ASN A 411 7, .181 57. .328 57. .654 1. .00 40. .28 3180 CA ASN A 411 -8..523 56..998 58..121 1..00 39.96

3181 CB ASN A 411 -8. .510 55. .743 58. .988 1. .00 37. .49

3182 CG ASN A 411 -8. .538 54. .486 58. .161 1. .00 37. .21

3183 ODl ASN A 411 -9. .245 54. .418 57. .161 1. .00 36, .85

3184 ND2 ASN A 411 -7. .777 53. .480 58, .571 1. .00 37, .13

3185 C ASN A 411 -9. .089 58. .169 58, .903 1. .00 40, .37

3186 0 ASN A 411 -10. .216 58, .621 58, .656 1. .00 38, .68

3187 N ILE A 412 -8. .291 58. .675 59. .834 1. .00 41, .40

3188 CA ILE A 412 -8. .716 59. .811 60, .630 1. .00 43, .86

3189 CB ILE A 412 -7. .629 60. .223 61, .635 1. .00 44 .25

3190 CG2 ILE A 412 -7. .974 61. .574 62, .253 1. .00 42 .40

3191 CGI ILE A 412 -7. .498 59. .134 62, .706 1. .00 43, .99

3192 CDl ILE A 412 -6. .317 59, .303 63, .627 1. .00 44 , .20

3193 C ILE A 412 -9. .073 60, .991 59, .737 1. .00 44, .33

3194 0 ILE A 412 -10, .011 61, .723 60 .025 1. .00 46 .86

3195 N ILE A 413 -8, .345 61, .181 58 .647 1. .00 43, .82

3196 CA ILE A 413 -8, .672 62, .294 57 .764 1, .00 45, .37

3197 CB ILE A 413 -7, .532 62, .561 56 .740 1. .00 45 .23

3198 CG2 ILE A 413 -8, .042 63 , .423 55 .585 1. .00 43, .40

3199 CGI ILE A 413 -6, .355 63, .235 57 .450 1. .00 45, .13

3200 CDl ILE A 413 -5, .145 63 , .430 56 .578 1. .00 43, .94

3201 C ILE A 413 -9, .985 62, .059 57 .012 1. .00 45, .66

3202 0 ILE A 413 -10, .903 62, .877 57 .085 1. .00 44 .59

3203 N MET A 414 -10, ,066 60, .938 56 .298 1. .00 46, .86

3204 CA MET A 414 -11, .254 60, .595 55 .518 1. .00 47, .95

3205 CB MET A 414 -10, .955 59, .410 54 .593 1. .00 48, .96

3206 CG MET A 414 -9, .960 59. .722 53 .493 1. .00 52, .84

3207 SD MET A 414 -10, .496 61. .089 52 .449 1. .00 57, .04

3208 CE MET A 414 -11, .412 60. .163 51, .183 1. .00 56, .61

3209 C MET A 414 -12, .500 60, .274 56, .339 1. .00 47, .51

3210 0 MET A 414 -13, .613 60, .559 55, .909 1. .00 46, .28

3211 N TYR A 415 -12, .317 59, .687 57, .516 1. .00 47, .46

3212 CA TYR A 415 -13, .460 59. .325 58, .345 1. .00 49. .06

3213 CB TYR A 415 -13, .471 57. .808 58, .572 1. .00 48. .53

3214 CG TYR A 415 -13 , .692 57, .014 57, .306 1. .00 48. .09

3215 CDl TYR A 415 -12, .695 56. .185 56, .796 1. .00 48. .93

3216 CEl TYR A 415 -12. .900 55. .448 55, .629 1. .00 50. .03 3217 CD2 TYR A 415 -14.901 57.093 56.618 1.00 47.35

3218 CE2 TYR A 415 -15.117 56.368 55.460 1.00 48.69

3219 CZ TYR A 415 •14.11! 55.547 54.971 1.00 51.09

3220 OH TYR A 415 -1144..33443: 54.819 53.829 1.00 53.08 3221 C TYR A 415 -13.540 60.042 59.687 1.00 50.10

3222 0 TYR A 415 -14.102 59.503 60.641 1.00 49.97

3223 N ALA A 416 -13.002 61.259 59.751 1.00 50.07

3224 CA ALA A 416 -12.996 62.049 60.985 1.00 50.22

3225 CB ALA A 416 -12.395 63.442 60.724 1.00 48.98 3226 C ALA A 416 -14.361 62.206 61.655 1.00 50.28

3227 O ALA A 416 • 14 . 473 62.091 62.877 1.00 48.39

3228 N PRO A 417 • 15 . 415 62.480 60.866 1.00 50.34

3229 CD PRO A 417 ^■ 15 . 467 62.720 5599..441144 1 . 00 50 . 98

3230 CA PRO A 417 ^■ 16 . 736 62.646 6611..446655 1 . 00 51 . 32 3231 CB PRO A 417 ^■ 17 . 561 63.247 60.322 1 . 00 51 . 01

3232 CG PRO A 417 16.946 62.665 59.124 1 . 00 50 . 41

3233 C PRO A 417 17.338 61.373 62.039 1 . 00 51 . 62

3234 O PRO A 417 -18.281 61.434 62.819 1 . 00 52 . 00

3235 N THR A 418 -16.789 60.219 61.679 1.00 52.31 3236 CA THR A 418 -17.348 58.988 62.206 1.00 53.55

3237 CB THR A 418 -16.689 57.712 61.630 1.00 52.14

3238 OGl THR A 418 -15.303 57.672 61.981 1.00 53.29

3239 CG2 THR A 418 -16.855 57.665 60.122 1.00 53.09

3240 C THR A 418 -17.203 58.963 63.706 1.00 55.05 3241 O THR A 418 16.734 59.918 64.316 1.00 56.32

3242 N LEU A 419 17.607 57.845 64.287 1.00 55.53

3243 CA LEU A 419 17.570 57.649 65.715 1.00 54.06

3244 CB LEU A 419 -18.873 56.961 66.132 1.00 54.87

3245 CG LEU A 419 -19.120 56.402 67.528 1.00 54.06 3246 CDl LEU A 419 -20.611 56.129 67.674 1.00 53.90

3247 CD2 LEU A 419 -18.312 55.12 67.737 1.00 55.27

3248 C LEU A 419 -16.355 56.824 66.118 1.00 53.57

3249 O LEU A 419 -15.711 57.109 67.125 1.00 53.39

3250 N TRP A 420 ^■16.043 55.796 65.338 1.00 52.54 3251 CA TRP A 420 ^■14.901 54.955 65.650 1.00 52.86

3252 CB TRP A 420 ^•14.903 53.695 64.775 1.00 51.67

3253 CG TRP A 420 15.197 53.963 63.332 1.00 52.88 3254 CD2 TRP A 420 ■14.244 54.129 62.275 1.00 53.01

3255 CE2 TRP A 420 •14.972 54.399 61.097 1.00 53.26

3256 CE3 TRP A 420 ^■12.849 54.076 62.209 1.00 51.39

3257 CDl TRP A 420 ^■16.425 54.132 62.767 1.00 53.79

3258 NEl TRP A 420 •16.301 54.394 61.426 1.00 53.45

3259 CZ2 TRP A 420 ^■14.351 54.614 59.866 1. .00 52. .27

3260 CZ3 TRP A 420 ^■12.236 54.288 60.988 1. .00 51. .73

3261 CH2 TRP A 420 ^■12.986 54.555 59.834 1. .00 51. .84

3262 C TRP A 420 -13.599 55.735 65.455 1. .00 53. .84 33226633 O TRP A 420 -12.622 55.509 66.168 1. .00 54. .00

3264 N ALA A 421 -13.590 56.659 64.500 1. .00 53. .44

3265 CA ALA A 421 -12.401 57.452 64.238 1. .00 55. .17

3266 CB ALA A 421 -12.556 58.203 62.922 1. .00 54 , .38

3267 C ALA A 421 -12.135 58.435 65.383 1. .00 56, .80

3268 O ALA A 421 -11.025 58.467 65.939 1. .00 57, .23

3269 N ARG A 422 -13.155 59.229 65.726 1. .00 56, .97

3270 CA ARG A 422 -13.064 60.220 66.798 1. .00 56. .86

3271 CB ARG A 422 -14.391 60.974 66.950 1, .00 57. .60

3272 CG ARG A 422 -14.747 61.892 65.795 1. .00 59, .77 33227733 CD ARG A 422 -16.059 62.640 66.051 1, .00 61, .55 3274 NE ARG A 422 -15.956 63.616 67.138 1. .00 65, .31 3275 CZ ARG A 422 -16.968 64.363 67.585 1. .00 65, .79

3276 NHl ARG A 422 -18.173 64.252 67.041 1, .00 66, .02

3277 NH2 ARG A 422 -16.775 65.230 68.574 1, .00 65, .33 3278 C ARG A 422 -12.688 59.630 68.153 1, .00 56, .37

3279 O ARG A 422 -11.632 59.927 68.699 1, .00 58, .50

3280 N MET A 423 -13.555 58.785 68.691 1.00 56.22

3281 CA MET A 423 -13.330 58.189 70.003 1.00 56.67

3282 CB MET A 423 -14.645 57.605 70.529 1.00 58.17 3283 CG MET A 423 -15.756 58.639 70.711 1.00 59.83

3284 SD MET A 423 -17.359 57.903 71.177 1.00 62.63

3285 CE MET A 423 -16.869 56.846 72.586 1.00 60.63

3286 C MET A 423 -12.228 57.142 70.135 1.00 55.26

3287 O MET A 423 -11.661 56.984 71.214 1.00 55.76 3288 N ILE A 424 -11.919 56.416 69.066 1.00 54.39

3289 CA ILE A 424 -10.874 55.397 69.162 1.00 53.20

3290 CB ILE A 424 -11.337 54.044 68.587 1.00 52.87 3291 CG2 ILE A 424 -10.,232 53..000 68.,773 1..00 50..78

3292 CGI ILE A 424 -12. ,631 53. .596 69. .282 1. .00 54. .14

3293 CDl ILE A 424 -13. ,069 52. .153 68. .954 1. .00 52. .55

3294 C ILE A 424 -9. ,550 55. .774 68. .491 1. .00 53. .55

3295 0 ILE A 424 -8. .542 55. .926 69. .172 1. ,00 53. .55

3296 N LEU A 425 -9. .554 55. .918 67. .165 1. .00 52. .92

3297 CA LEU A 425 -8. .346 56. .262 66. .417 1. .00 51. .77

3298 CB LEU A 425 -8. .666 56. .420 64. .931 1. .00 51. .19

3299 CG LEU A 425 -8. .979 55. .127 64. .179 1. .00 49. .80

3300 CDl LEU A 425 -9. .104 55, .441 62. .708 1. .00 47. .28

3301 CD2 LEU A 425 -7. .888 54, .100 64 , .414 1. .00 47, .93

3302 C LEU A 425 -7. .622 57, .511 66. .910 1. .00 51, .57

3303 0 LEU A 425 -6. .443 57, .450 67, .253 1, .00 49, .66

3304 N MET A 426 -8. .317 58, .643 66, .929 1, .00 52, .83

3305 CA MET A 426 -7. .713 59, .887 67, .401 1, .00 55, .27

3306 CB MET A 426 -8, .740 61 .003 67, .435 1, .00 53, .76

3307 CG MET A 426 -9, .342 61 .319 66. .110 1. .00 54, .33

3308 SD MET A 426 -10, .198 62 .846 66. .284 1, .00 59, .21

3309 CE MET A 426 -10, .626 63 .232 64, .562 1, .00 57, .92

3310 C MET A 426 -7, .161 59, .717 68, .808 1. .00 57, .60

3311 0 MET A 426 -6, .062 60 .166 69, .119 1, .00 59, .19

3312 N THR A 427 -7, .946 59 .076 69, .660 1. .00 58, .74

3313 CA THR A 427 -7, .544 58 .853 71, .028 1, .00 60, .14

3314 CB THR A 427 -8, .675 58, .134 71, .806 1. .00 61, .15

3315 OGl THR A 427 -9, .883 58 .898 71, .695 1. .00 63, .12

3316 CG2 THR A 427 -8, .322 57, .994 73, .280 1. .00 61, .01

3317 C THR A 427 -6, .260 58, .025 71. .067 1. .00 60, .31

3318 0 THR A 427 -5, .192 58, .546 71. .375 1. .00 61. .53

3319 N HIS A 428 -6, .370 56, .740 70. .746 1. .00 60, .73

3320 CA HIS A 428 -5, .236 55, .815 70. .752 1. .00 60, .94

3321 CB HIS A 428 -5, .576 54, .558 69. .956 1. .00 60, .59

3322 CG HIS A 428 -4. .414 53. .634 69. .758 1. .00 59. .25

3323 CD2 HIS A 428 -3. .653 53. .380 68, .667 1. .00 59. .46

3324 NDl HIS A 428 -3. .927 52. .823 70, .761 1. .00 59. .46

3325 CEl HIS A 428 -2. .920 52. .105 70, .294 1. .00 58. .56

3326 NE2 HIS A 428 -2, .734 52 .424 69 .025 1. .00 58 .99

3327 C HIS A 428 -3, .925 56 .364 70, .210 1, .00 62 .33 3328 O HIS A 428 2..853 56,.058 70..748 1..00 64 ,.18 3329 N PHE A 429 4. .000 57. .153 69. .141 1. .00 60. .82 3330 CA PHE A 429 2. .788 57. .691 68. .544 1. .00 59. .92 3331 CB PHE A 429 2. .967 57. .865 67. .025 1. .00 57. .22 3332 CG PHE A 429 2, .815 56. .578 66. .268 1. .00 54. .37 3333 CDl PHE A 429 3. .901 55. .985 65. .641 1. .00 53. .99 3334 CD2 PHE A 429 1. .592 55. .910 66. .259 1. .00 53. .07 3335 CEl PHE A 429 3. .772 54. .734 65. .021 1. .00 52. .30 3336 CE2 PHE A 429 1 .454 54. .665 65. .645 1. .00 51, .58 3337 CZ PHE A 429 2 .548 54. .075 65, .026 1 , .00 51, .28 3338 C PHE A 429 2 .228 58. .949 69 .184 1, .00 59 .66 3339 O PHE A 429 1 .052 58. .965 69 .545 1, .00 61 .35 3340 N PHE A 430 3 .035 59, .995 69 .342 1, .00 59 .03 3341 CA PHE A 430 2 .517 61, .204 69 .972 1, .00 58 .22 3342 CB PHE A 430 3 .615 62 .248 70 .148 1, .00 55 .59 3343 CG PHE A 430 3 .748 63 .171 68 .979 1. .00 54 .81 3344 CDl PHE A 430 4 .188 62, .700 67 .751 1, .00 54 .61 3345 CD2 PHE A 430 3 .375 64 .501 69 .086 1. .00 53 .83 3346 CEl PHE A 430 4 .250 63, .544 66 .638 1. .00 54 .11

3347 CE2 PHE A 430 3 .433 65 .353 67 .980 1, .00 54 .95

3348 CZ PHE A 430 3 .872 64, .870 66 .752 1, .00 54, .28

3349 C PHE A 430 1 .896 60, .848 71 .315 1. .00 59, .71

3350 OO PHE A 430 0 .997 61, .533 71 .798 1. .00 61, .19

3351 N SER A 431 2 .361 59, .755 71 .903 1. .00 60, .34

3352 CA SER A 431 1. .826 59, .302 73 .176 1. .00 61, .84

3353 CB SER A 431 2, .735 58, .237 73 .795 1. .00 62, .37

3354 OG SER A 431 2 .160 57, .711 74, .978 1. .00 61, .89

3355 C SER A 431 0, .437 58, .716 72, .960 1 , .00 62. .20

3356 0 SER A 431 0, .461 58, .925 73, .772 1. .00 62. .45

3357 N ILE A 432 0, .264 57, .966 71, .876 1. .00 62, .80

3358 CA ILE A 432 1, .038 57, .381 71, .583 1. .00 62, .96

3359 CB ILE A 432 0, .960 56, .337 70, .457 1. .00 62, .90

3360 CG2 ILE A 432 2, .328 56, .163 69, .794 1. .00 63 , .82

3361 CGI ILE A 432 0, .479 55, .006 71, .028 1. .00 63 , .13

3362 CDl ILE A 432 0, .592 53 , .841 70, .069 1. .00 62, .64

3363 C ILE A 432 2 .021 58 .474 71 .170 1. .00 63 .63

3364 0 ILE A 432 3 .182 58 .467 71 .597 1 , .00 63, .96 3365 N LEU A 433 1.562 59.417 70.347 1.00 62.70

3366 CA LEU A 433 2.440 60.493 69.909 1.00 63.11

3367 CB LEU A 433 1.736 61.407 68.910 1.00 60.13

3368 CG LEU A 433 1.447 60.789 67.546 1.00 59.34

3369 CDl LEU A 433 0.900 61.879 66.625 1.00 59.14

3370 CD2 LEU A 433 2.712 60.160 66.967 1.00 55.88

3371 C LEU A 433 2.949 61.307 71.091 1.00 63.77

3372 O LEU A 433 4.097 61.746 71.093 1.00 66.31 3373 N LEU A 434 2.101 61.505 72.095 1.00 64.38 33337744 CA LEU A 434 2.497 62.256 73.283 1.00 64.32 3375 CB LEU A 434 1.279 62.547 74.150 1.00 62.79 3376 CG LEU A 434 0.389 63.678 73.656 1.00 63.25 3377 CDl LEU A 434 ^• 0 . 965 63 . 605 74 . 343 1 . 00 64 . 68 3378 CD2 LEU A 434 1.073 65.003 73.929 1.00 63.29 3379 C LEU A 434 3, .516 61, .477 74 .103 1. .00 64 .62 3380 O LEU A 434 4, .440 62, .052 74 .676 1, .00 65 .71 3381 N ALA A 435 3, .339 60, .162 74 .153 1, .00 64 .88 3382 CA ALA A 435 4 , .225 59, .291 74 .909 1, .00 65 .76 3383 CB ALA A 435 3 .577 57, .924 75 .075 1, .00 65 .67 33338844 C ALA A 435 5, .600 59, .144 74 .256 1, .00 67 .43 3385 O ALA A 435 6, .459 58, .411 74 .754 1, .00 68 .08 3386 N GLN A 436 5 .806 59, .827 73 .137 1, .00 68 .26

3387 CA GLN A 436 7, .084 59, .759 72 .439 1. .00 70 .03

3388 CB GLN A 436 7 .026 58, .676 71 .351 1, .00 71 .02 3389 CG GLN A 436 6, .368 57, .373 71 .834 1, .00 73 .81

3390 CD GLN A 436 6, .559 56, .186 70 .890 1, .00 76 .75 3391 OEl GLN A 436 6, .473 56, .322 69 .664 1. .00 77. .40 3392 NE2 GLN A 436 6, .802 55, .004 71. .467 1. .00 77. .41 3393 C GLN A 436 7, .359 61, .144 71 .848 1. .00 70, .27

3394 O GLN A 436 8, .272 61, .331 71. .042 1. .00 69, .32 3395 N GLU A 437 6, .546 62. .106 72. .286 1. .00 70, .57 3396 CA GLU A 437 6, .631 63 , .507 71, .877 1. .00 71, .50 3397 CB GLU A 437 7, .723 64 , .229 72, .690 1. .00 73, .60 3398 CG GLU A 437 7, .623 64 , .026 74, .213 1. .00 75, .01 3399 CD GLU A 437 8, .677 64. .799 75, .006 1. .00 75, .14

3400 OEl GLU A 437 8 .556 66 .043 75 .126 1. .00 74 .75

3401 OE2 GLU A 437 9 .627 64 .155 75 .509 1. .00 74 .70 3402 C GLU A 437 6, .908 63 , .670 70, .388 1..00 70..81 3403 0 GLU A 437 7, .925 64 , .243 69. .991 1. .00 71. .93 3404 N GLN A 438 5 .999 63. .169 69, .561 1. .00 69. .91 3405 CA GLN A 438 6, .169 63 , .269 68, .120 1. .00 68. .70 3406 CB GLN A 438 6 .358 61, .876 67, .514 1. .00 66. .39 3407 CG GLN A 438 7 .359 61, .022 68, .271 1. .00 68. .39 3408 CD GLN A 438 7, .868 59, .846 67, .458 1. .00 70. .88 3409 OEl GLN A 438 8 .494 60. .028 66, .409 1. .00 71. .33 3410 NE2 GLN A 438 7 .607 58, .631 67, .938 1. .00 71. .24 33441111 C GLN A 438 4 .951 63, .942 67 .520 1. .00 68. .37 3412 O GLN A 438 4 , .436 63. .514 66. .490 1, .00 69, .85 3413 N LEU A 439 4 , .484 64. .999 68. .167 1. .00 68. .20 3414 CA LEU A 439 3. .319 65. .697 67, .661 1, .00 69. .21 3415 CB LEU A 439 2. .672 66 , .533 68, .765 1, .00 68. .52 33441166 CG LEU A 439 2, .573 65. .940 70, .178 1, .00 69. .24

3417 CDl LEU A 439 1, .514 66. .731 70, .948 1, .00 68. .24

3418 CD2 LEU A 439 2. .200 64. .462 70, .143 1, .00 67. .99

3419 C LEU A 439 3.699 66.595 66.491 1.00 70.68 3420 O LEU A 439 2.887 66.822 65.589 1.00 71.58 3421 N GLU A 440 4.941 67.086 66.500 1.00 71.48 3422 CA GLU A 440 5.443 67.985 65.452 1.00 71.14 3423 CB GLU A 440 66..665599 6688..778855 65.961 1.00 72.19 3424 CG GLU A 440 6.428 69.555 67.252 1.00 74.01 3425 CD GLU A 440 6.395 68.643 68.469 1.00 77.37 3426 OEl GLU A 440 6.004 69.119 69.565 1.00 75.92 3427 OE2 GLU A 440 6.770 67.448 68.327 1.00 77.79 3428 C GLU A 440 5.834 67.265 64.154 1.00 69.52 3429 O GLU A 440 5.723 67.830 63.058 1.00 69.98 3430 N LYS A 441 6.292 66.024 64.285 1.00 66.55 33443311 CA LYS A 441 6.721 65.234 63.136 1.00 64.53 3432 CB LYS A 441 7.398 63.954 63.625 1.00 63.16 3433 CG LYS A 441 7.851 63.040 62.511 1.00 63.13 3434 CD LYS A 441 8.643 61.881 63.071 1.00 65.17 3435 CE LYS A 441 9.086 60.925 61.975 1.00 65.97 33443366 NZ LYS A 441 9.817 59.764 62.555 1.00 66.79 3437 C LYS A 441 5.634 64.873 62.109 1.00 63.88 3438 O LYS A 441 4.570 64.343 62.455 1.00 63.59 3439 N ALA A 442 5..926 65..153 60..841 1..00 61,.91

3440 CA ALA A 442 5. .010 64. .851 59. .752 1. .00 59, .48

3441 CB ALA A 442 5. .411 65. .624 58. .500 1. .00 58, .87

3442 C ALA A 442 5. .014 63. .345 59. .470 1. .00 57, .89

3443 0 ALA A 442 5. .985 62. .643 59. .763 1. .00 56, .56

3444 N LEU A 443 3 , .914 62. .854 58. .909 1. .00 56, .47

3445 CA LEU A 443 3. .787 61. .439 58. .598 1. .00 54 , .49

3446 CB LEU A 443 2. .862 60. .763 59. .608 1. .00 54. .16

3447 CG LEU A 443 3. .370 60. .710 61. .045 1. .00 52, .83

3448 CDl LEU A 443 2. .260 60. .269 61. .971 1. .00 54, .06

3449 CD2 LEU A 443 4 , .540 59, .757 61. .121 1. .00 52, .36

3450 C LEU A 443 3, .220 61, .269 57. .208 1. .00 53, .98

3451 0 LEU A 443 2. .370 62, .053 56. .778 1. .00 55, .25

3452 N ASP A 444 3, .699 60, .259 56, .496 1. .00 53, .29

3453 CA ASP A 444 3. .187 60. .006 55, .158 1. .00 54, .99

3454 CB ASP A 444 4. .227 59, .279 54 .282 1. .00 56 .70

3455 CG ASP A 444 5. .430 60, .154 53, .912 1. .00 56 .70

3456 ODl ASP A 444 5. .259 61, .337 53 .541 1. .00 58 .35

3457 OD2 ASP A 444 6 .562 59, .639 53 .968 1. .00 57 .51

3458 C ASP A 444 1 .924 59. .141 55 .272 1. .00 55 .45

3459 0 ASP A 444 1 .810 58. .286 56 .157 1, .00 54 .48

3460 N CYS A 445 0 .973 59. .387 54 .381 1, .00 55 .87

3461 CA CYS A 445 -0 .275 58 .637 54 .342 1, .00 55 .63

3462 CB CYS A 445 -1 .265 59, .180 55 .370 1, .00 57 .14

3463 SG CYS A 445 -1 .923 60, .800 54 .972 1, .00 61 .33

3464 C CYS A 445 -0 .831 58, .813 52 .939 1. .00 54 .59

3465 0 CYS A 445 -0 .338 59. .644 52 .179 1. .00 53 .88

3466 N GLN A 446 -1 .857 58. .046 52 .593 1. .00 54 .21

3467 CA GLN A 446 -2 .425 58. .136 51 .254 1. .00 53 .04

3468 CB GLN A 446 -2 .304 56, .790 50 .547 1. .00 54 .72

3469 CG GLN A 446 -0 .881 56, .424 50 .202 1. .00 60 .77

3470 CD GLN A 446 -0 .736 55 .000 49 .696 1. .00 64 .70

3471 OEl GLN A 446 0 .348 54 , .597 49 .249 1, .00 66 .68

3472 NE2 GLN A 446 -1 .821 54. .224 49 .768 1. .00 64 .28

3473 C GLN A 446 -3 .865 58 .603 51 .190 1. .00 51 .48

3474 0 GLN A 446 -4 .656 58 .344 52 .096 1. .00 50 .64

3475 N ILE A 447 -4 .179 59 .306 50 .105 1. .00 48 .43 3476 CA ILE A 447 -5.511 59.812 49.844 1.00 48.24

3477 CB ILE A 447 -5.646 61.317 50.155 1.00 47.15

3478 CG2 ILE A 447 -7.034 61.796 49.786 1.00 44.86

3479 CGI ILE A 447 -5.410 61.578 51.640 1.00 46.47 3480 CDl ILE A 447 -5.498 63.035 52.009 1.00 45.09 3481 C ILE A 447 -5.756 59.602 48.358 1.00 50.10 3482 O ILE A 447 -5.272 60.371 47.519 1.00 51.14 3483 N TYR A 448 -6.507 58.550 48.043 1.00 49.99 3484 CA TYR A 448 -6.827 58.203 46.667 1.00 47.64 3485 CB TYR A 448 -7.485 59.393 45.962 1.00 45.47

3486 CG TYR A 448 -8.905 59.663 46.432 1.00 46.43

3487 CDl TYR A 448 -9.606 60.789 45.997 1.00 45.46

3488 CEl TYR A 448 ^■10.917 61.030 46.413 1.00 44.07

3489 CD2 TYR A 448 -9.559 58.777 47.300 1.00 45.83

3490 CE2 TYR A 448 -10.869 59.004 47.717 1.00 43.46

3491 CZ TYR A 448 -11.545 60.133 47.275 1.00 44.75

3492 OH TYR A 448 ^■12.840 60.370 47.700 1.00 41.30

3493 C TYR A 448 -5.583 57.742 45.926 1.00 47.55

3494 O TYR A 448 -5.370 58.080 44.766 1.00 48.79

3495 N GLY A 449 -4.757 56.966 46.615 1.00 48.12

3496 CA GLY A 449 -3.552 56.441 46.003 1.00 49.16

3497 C GLY A 449 -2.334 57.341 46.053 1.00 50.19

3498 O GLY A 449 -1.207 56.854 45.993 1.00 51.32

3499 N ALA A 450 -2.554 58.647 46.158 1.00 51.24

3500 CA ALA A 450 -1.459 59.617 46.204 1.00 52.38

3501 CB ALA A 450 ^■1.951 60.987 45.717 1.00 51.46

3502 ALA A 450 ^■0.876 59.742 47.608 1.00 52.82

3503 ALA A 450 ^■1.611 59.773 48.594 1.00 53.63

3504 CYS A 451 0.447 59.816 47.697 1.00 53.34

3505 CA CYS A 451 1.100 59.950 48.994 1.00 54.72

3506 CB CYS A 451 2, .492 59.320 48.963 1.00 56.82

3507 SG CYS A 451 3, .393 5599..449977 50.519 1.00 64.12

3508 C CYS A 451 1, .212 6611..441155 49.405 1.00 54.04

3509 O CYS A 451 1, .446 6622..228899 48.572 1.00 53.54

3510 N TYR A 452 1, .023 6611..667788 50.695 1.00 54.32

3511 CA TYR A 452 1 .110 6633..003300 51.231 1.00 53.73

3512 CB TYR A 452 -0 .285 6633..662266 51.462 1.00 52.96 3513 CG TYR A 452 1,.119 63..818 50..215 1..00 53..59

3514 CDl TYR A 452 1. .767 62. .737 49. .598 1. .00 53. .93

3515 CEl TYR A 452 2. .536 62. .917 48. .435 1. .00 52. .14

3516 CD2 TYR A 452 1. .260 65. .081 49. .642 1. .00 53. .44

3517 CE2 TYR A 452 2 .023 65, .273 48, .484 1, .00 52. .67

3518 CZ TYR A 452 2, .656 64. .190 47, .886 1 , .00 52. .18

3519 OH TYR A 452 3, .391 64. .393 46. .739 1. .00 52. .70 3520 C TYR A 452 1, .875 63, .049 52. .552 1 , .00 54. .21

3521 0 TYR A 452 1, .908 62, .062 53. .288 1. .00 52. .95 3522 N SER A 453 2, .498 64, .190 52. .833 1 , .00 56, .07 3523 CA SER A 453 3, .249 64, .396 54. .069 1. .00 56. .75 3524 CB SER A 453 4, .544 65, .164 53. .784 1, .00 56. .16 3525 OG SER A 453 5, .264 65. .408 54. .977 1. .00 56. .61

3526 C SER A 453 2, .316 65. .238 54. .927 1, .00 56. .78

3527 0 SER A 453 2 .020 66 .383 54 .576 1, .00 56 .94

3528 N ILE A 454 1 .845 64 .681 56, .041 1. .00 56, .67

3529 CA ILE A 454 0 .910 65 .411 56 .891 1, .00 56 .59

3530 CB ILE A 454 0 .506 64 .777 56, .784 1, .00 58, .25

3531 CG2 ILE A 454 1 .485 65 .480 57 .725 1, .00 56 .30

3532 CGI ILE A 454 - 00. .998855 6644. .887755 55, .326 1, .00 59, .19

3533 CDl ILE A 454 - 22. .227711 6644 ..115566 55 .022 1. .00 59 .07

3534 C ILE A 454 11. .331199 65 .526 58, .355 1, .00 56, .40

3535 0 ILE A 454 11. .885599 6644. .558833 58, .948 1. .00 55, .37

3536 N GLU A 455 1 .064 66 .701 58, .927 1. .00 56, .27

3537 CA GLU A 455 1 .390 66 .967 60 .318 1 .00 56 .46

3538 CB GLU A 455 11..999911 6688..336655 60.447 11 ..0000 5588 ..8877

3539 CG GLU A 455 33..550033 6688..440088 60.274 11,..0000 6611 ..0088

3540 CD GLU A 455 44..004444 6699..882244 60.323 11 ..0000 6633 ..3355

3541 OEl GLU A 455 3.899 70.555 59 . 311 1 . 00 61 . 61

3542 OE2 GLU A 455 4 . 600 70 . 207 61 . 381 1 . 00 64 . 59

3543 C GLU A 455 0 . 168 66.831 61.224 1.00 55.52

3544 0 GLU A 455 - 0 . 799 67.579 61.100 1.00 55.96

3545 N PRO A 456 0 . 202 65 . 871 62.155 1.00 55.88

3546 CD PRO A 456 1 . 309 64.944 62.449 1.00 56.26

3547 CA PRO A 456 - 0 . 914 65.652 63.071 1.00 57.70

3548 CB PRO A 456 ^■ 0 . 291 64 . 792 64.160 1.00 57.46

3549 CG PRO A 456 0.658 63.935 63.376 1.00 56.81 3550 C PRO A 456 -1..546 66,.924 63,.621 1,.00 60,.43

3551 0 PRO A 456 -2. .750 67, .159 63, .445 1. .00 61, .13

3552 N LEU A 457 -0. .735 67, .748 64, .276 1. .00 62, .60

3553 CA LEU A 457 -1. .233 68, .983 64, .871 1. .00 65, .21

3554 CB LEU A 457 -0. .061 69, .795 65, .423 1. .00 67. .35

3555 CG LEU A 457 0. .856 69, .032 66, .390 1. .00 69. .63

3556 CDl LEU A 457 2. .090 69, .866 66, .675 1. .00 70. .45

3557 CD2 LEU A 457 0. .117 68. .698 67, .686 1. .00 70. .23

3558 C LEU A 457 -2, .056 69 .837 63 .908 1. .00 65. .08

3559 0 LEU A 457 -2. .601 70 .864 64 .298 1. .00 66. .15

3560 N ASP A 458 -2, .162 69 .405 62 .656 1. .00 65 .60

3561 CA ASP A 458 -2. .919 70 .156 61 .657 1. .00 66, .55

3562 CB ASP A 458 -2, .139 70 .196 60 .339 1, .00 67, .85

3563 CG ASP A 458 -0. .976 71 .174 60 .375 1, .00 70, .00

3564 ODl ASP A 458 -1, .196 72 .372 60 .084 1. .00 72 .04

3565 OD2 ASP A 458 0. .155 70 .748 60 .703 1. .00 70 .85

3566 C ASP A 458 -4. .331 69 .620 61 .394 1, .00 66, .18

3567 0 ASP A 458 -5, .110 70 .239 60 .657 1. .00 65, .06

3568 N LEU A 459 -4 , .663 68 .478 61 .994 1. .00 64, .99

3569 CA LEU A 459 -5, .979 67. .884 61 .787 1. .00 64, .01

3570 CB LEU A 459 -6. .146 66 .658 62 .682 1. .00 62, .48

3571 CG LEU A 459 -5. .184 65, .530 62 .298 1, .00 62, .24

3572 CDl LEU A 459 -5. .182 64 , .454 63 .358 1. .00 61, .03

3573 CD2 LEU A 459 -5. .584 64, .960 60, .946 1. .00 62, .66

3574 C LEU A 459 -7. .117 68, .879 62 .012 1. .00 63 , .82

3575 0 LEU A 459 -7. .947 69, .092 61, .120 1. .00 65, .61

3576 N PRO A 460 -7. .166 69, .517 63, .194 1. .00 62, .32

3577 CD PRO A 460 -6. .196 69, .477 64 , .307 1. .00 62, .41

3578 CA PRO A 460 -8. .235 70, .483 63, .462 1. .00 60, .72

3579 CB PRO A 460 -7. .678 71. .283 64 , .631 1. .00 60. .56

3580 CG PRO A 460 -6. .919 70. .233 65, .406 1. .00 61. .45

3581 C PRO A 460 -8. .562 71. .357 62. .251 1. .00 60. .14

3582 0 PRO A 460 -9. .723 71. .528 61. .892 1. .00 60. .44

3583 N GLN A 461 -7. ,525 71. .895 61. .620 1. .00 60. .47

3584 CA GLN A 461 -7. ,683 72. .752 60. .451 1. .00 60. .47

3585 CB GLN A 461 -6. .332 73 , .343 60, .040 1. .00 62. .80

3586 CG GLN A 461 -5. .572 74. .093 61, .126 1. .00 66. .80 3587 CD GLN A 461 -4 ,.955 73,.183 62,.177 1..00 67,.55

3588 OEl GLN A 461 -5. .630 72, .729 63 , .100 1. .00 68, .89

3589 NE2 GLN A 461 -3, .662 72, .915 62, .038 1. .00 68, .29

3590 C GLN A 461 -8, .233 71, .954 59, .272 1. .00 60, .31

3591 0 GLN A 461 -9, .179 72, .376 58, .595 1. .00 59, .05

3592 N ILE A 462 -7. .608 70, .807 59. .022 1. .00 60. .09

3593 CA ILE A 462 -7, .998 69, .928 57. .928 1. .00 60, .16

3594 CB ILE A 462 -7, .114 68, .675 57. .896 1. .00 59, .06

3595 CG2 ILE A 462 -7. .573 67, .753 56, .784 1. .00 59, .28

3596 CGI ILE A 462 -5. .648 69, .080 57, .698 1. .00 58, .70

3597 CDl ILE A 462 -4. .687 67, .910 57, .649 1. .00 55, .74

3598 C ILE A 462 -9, .451 69, .485 58, .061 1. .00 61, .66

3599 0 ILE A 462 -10 .280 69, .745 57, .179 1. .00 61, .39

3600 N ILE A 463 -9 .746 68, .811 59, .170 1. .00 61, .08

3601 CA ILE A 463 -11 .088 68, .319 59, .438 1. .00 59, .99

3602 CB ILE A 463 -11 .188 67, .786 60, .882 1. .00 57, .57

3603 CG2 ILE A 463 -12 .623 67, .413 61, .200 1. .00 53, .41

3604 CGI ILE A 463 -10 .234 66, .594 61, .046 1, .00 54, .76

3605 CDl ILE A 463 -10, .140 66, .048 62, .441 1. .00 53, .31

3606 C ILE A 463 -12 .145 69, .397 59, .197 1, .00 61, .44

3607 0 ILE A 463 -13 .136 69, .151 58, .507 1. .00 62, .71

3608 N GLU A 464 -11 .938 70, .590 59, .750 1, .00 61, .48

3609 CA GLU A 464 -12 .900 71, .671 59, .555 1, .00 62, .56

3610 CB GLU A 464 -12 .518 72, .907 60, .374 1. .00 63, .40

3611 CG GLU A 464 -13 .422 74, .096 60, .072 1, .00 66, .65

3612 CD GLU A 464 -13, .000 75, .377 60, .765 1, .00 69, .96

3613 OEl GLU A 464 -13, .615 76, .426 60, .467 1, .00 70, .61

3614 OE2 GLU A 464 -12, .065 75, .342 61, .602 1 , .00 71, .36

3615 C GLU A 464 -12, .988 72, .057 58, .083 1. .00 62, .70

3616 0 GLU A 464 -13, .996 72, .601 57, .629 1. .00 62, .90

3617 N ARG A 465 -11, .921 71, .774 57, .344 1. .00 63, .92

3618 CA ARG A 465 -11, .851 72, .082 55, .920 1. .00 64 , .21

3619 CB ARG A 465 -10, .386 72, .242 55, .501 1, .00 66, .97

3620 CG ARG A 465 -9, .949 73 , .680 55, .313 1. .00 70. .35

3621 CD ARG A 465 -10, .284 74 , .175 53 , .913 1. .00 73. .45

3622 NE ARG A 465 -11 , .623 73 , .767 53. .494 1. .00 77. .53

3623 CZ ARG A 465 -12, .168 74 , .060 52. .314 1. .00 80. .03 3624 NHl ARG A 465 -11.487 74.776 51.425 1.00 81.13

3625 NH2 ARG A 465 -13.391 73.626 52.014 1.00 79.67

3626 C ARG A 465 -12.517 71.013 55.055 1.00 63.08 3627 O ARG A 465 -13.086 71.315 54.006 1.00 62.72 3628 N LEU A 466 -12.441 69.764 55.497 1.00 62.34 3629 CA LEU A 466 -13.032 68.652 54.758 1.00 61.84 3630 CB LEU A 466 -12.216 67.374 54.969 1.00 61.18

3631 CG LEU A 466 -10.800 67.305 54.424 1.00 60.88

3632 CDl LEU A 466 -10.211 65.932 54.726 1.00 60.26 33663333 CD2 LEU A 466 -10.834 67.570 52.935 1.00 59.86 3634 C LEU A 466 -14.463 68.350 55.172 1.00 61.24 3635 O LEU A 466 ^■15.329 68.110 54.331 1.00 61.70 3636 N HIS A 467 ^■14.700 68.364 56.476 1.00 59.79 3637 CA HIS A 467 ^■16.004 68.028 57.013 1.00 59.07 33663388 CB HIS A 467 ^■15.812 66.895 58.019 1.00 54.85 3639 CG HIS A 467 ^■15.035 65.734 57.474 1.00 51.65 3640 CD2 HIS A 467 -13.854 65.193 57.855 1.00 51.46

3641 NDl HIS A 467 -15.478 64.969 56.416 1.00 51.08

3642 CEl HIS A 467 -14.607 64.008 56.169 1.00 48.75

3643 NE2 HIS A 467 -13.612 64.121 57.029 1.00 50.11

3644 C HIS A 467 -16.807 69.173 57.646 1.00 60.57

3645 O HIS A 467 -17.990 69.007 57.944 1.00 62.01

3646 N GLY A 468 -16.180 70.329 57.838 1.00 60.43

3647 CA GLY A 468 -16.879 71.444 58.454 1.00 59.76

3648 C GLY A 468 -16.727 71.392 59.965 1.00 60.07

3649 0 GLY A 468 -16.229 70.404 60.508 1.00 59.52

3650 N LEU A 469 -17.150 72.452 60.649 1.00 61.28

3651 CA LEU A 469 -17.055 72.527 62.116 1.00 62.12

3652 CB LEU A 469 -17.511 73.913 62.597 1.00 63.21 33665533 CG LEU A 469 -16.669 75.139 62.212 1.00 65.01

3654 CDl LEU A 469 -17.544 76.384 62.098 1.00 64.64

3655 CD2 LEU A 469 -15.579 75.340 63.248 1.00 64.95

3656 C LEU A 469 -17.887 71.448 62.831 1.00 61.41

3657 0 LEU A 469 -17.430 70.850 63.814 1.00 59.82 33665588 N SER A 470 -19.100 71.211 62.326 1.00 60.40 3659 CA SER A 470 ^■20.022 70.228 62.895 1.00 59.70

3660 CB SER A 470 ^■ 21 . 161 69 . 945 61 . 913 1 . 00 60 . 09 3661 OG SER A 470 -20..676 69..352 60..721 1..00 61..33

3662 C SER A 470 -19, .337 68. .919 63, ,261 1, .00 59. .32

3663 0 SER A 470 -19, .697 68. .277 64, .247 1, .00 58. .57

3664 N ALA A 471 -18, .340 68, .543 62, .468 1. .00 59. .29

3665 CA ALA A 471 -17, .589 67, .309 62, .672 1. .00 59. .54

3666 CB ALA A 471 -16, .549 67, .168 61, .581 1, .00 60. .92

3667 C ALA A 471 -16. .919 67, .137 64 .033 1, .00 59, .71

3668 0 ALA A 471 -16. .439 66, .051 64, .344 1, .00 59, .78

3669 N PHE A 472 -16. .850 68, .193 64, .836 1. .00 60, .86

3670 CA PHE A 472 -16. .229 68, .067 66, .157 1. .00 62, .47

3671 CB PHE A 472 -15, .303 69, .250 66, .454 1. .00 62. .12

3672 CG PHE A 472 -14, .199 69, .416 65, .465 1. .00 62, .30

3673 CDl PHE A 472 -14 , .314 70, .336 64, .429 1, .00 62, .27

3674 CD2 PHE A 472 -13, .042 68, .643 65, .559 1, .00 62, .31

3675 CEl PHE A 472 -13, .291 70, .489 63, .496 1, .00 62, .60

3676 CE2 PHE A 472 -12, .012 68, .784 64, .632 1, .00 61, ,99

3677 CZ PHE A 472 -12, .135 69, .710 63, .597 1. .00 62, .52

3678 C PHE A 472 -17. .297 67, .997 67, .235 1. .00 63, .03

3679 0 PHE A 472 -16. .997 67, .772 68, .410 1. .00 61, .91

3680 N SER A 473 -18, .544 68. .188 66, .813 1. .00 64, .24

3681 CA SER A 473 -19, .686 68, .173 67, .719 1. .00 65, .09

3682 CB SER A 473 -20, .552 69, .408 67, .465 1, .00 65, .64

3683 OG SER A 473 -19. .778 70, .591 67, .582 1. .00 67, .02

3684 C SER A 473 -20. .547 66, .912 67, .612 1. .00 64 , .23

3685 0 SER A 473 -20. .848 66, .286 68, .625 1. .00 64. .17

3686 N LEU A 474 -20. .926 66, .553 66, .382 1. .00 64. .21

3687 CA LEU A 474 -21. .766 65, .376 66, .087 1. .00 62. .08

3688 CB LEU A 474 -21. .157 64 , .527 64. .964 1. .00 61. .55

3689 CG LEU A 474 -20. .992 65. .120 63 , .561 1. .00 61. .76

3690 CDl LEU A 474 -20. .796 63. .968 62. .590 1. .00 61. .94

3691 CD2 LEU A 474 22.207 65.937 63.153 1.00 60.72

3692 C LEU A 474 -22.084 64.455 67.261 1.00 61.03

3693 O LEU A 474 -21.196 63.851 67.872 1.00 58.81

3694 N HIS A 475 -23.379 64.344 67.540 1.00 59.55

3695 CA HIS A 475 -23.904 63.525 68.625 1.00 57.82

3696 CB HIS A 475 -24.291 64.435 69.784 1.00 55.96

3697 CG HIS A 475 -25.354 65.423 69.421 1.00 53.49 3698 CD2 HIS A 475 -25.292 66.577 6688..771166 1.00 53 ,.33

3699 NDl HIS A 475 -26.690 65.208 6699..668844 1.00 53 , .95

3700 CEl HIS A 475 -27.406 66.186 6699..115544 1.00 53. .09

3701 NE2 HIS A 475 -26.581 67.030 6688..556611 1.00 53 , .19 3702 C HIS A 475 -25.165 62.851 6688..008877 1.00 57, .66

3703 O HIS A 475 -25.599 63.137 6666..996644 1.00 56, .57

3704 N SER A 476 -25.759 61.980 6688..990011 1.00 58. .32

3705 CA SER A 476 -26.984 61.274 6688..553344 1.00 57. .13

3706 CB SER A 476 -28.129 62.271 6688..333322 1.00 58, .15 3707 OG SER A 476 -28.334 63.042 6699..550044 1.00 58, .87

3708 C SER A 476 -26.789 60.470 6677..226677 1.00 56, .44

3709 0 SER A 476 -27.534 60.632 6666..229911 1.00 55, .18

3710 N TYR A 477 ^■25.773 59.613 6677..228866 1.00 56, .28

3711 CA TYR A 477 ^■25.468 58.766 6666..114400 1.00 57, .61 3712 CB TYR A 477 •24.074 58.126 6666..228844 1.00 59, .48

3713 CG TYR A 477 ^•22.918 59.074 6666..000055 1.00 62, .64

3714 CDl TYR A 477 ^■22.549 60.056 6666..993300 1.00 63, .65

3715 CEl TYR A 477 ^■21.526 60.964 6666..665511 1.00 64 , .81

3716 CD2 TYR A 477 ^■22.228 59.021 64.791 1.00 63, .42 3717 CE2 TYR A 477 ^■21.206 59.924 64.500 1.00 65, .40

3718 CZ TYR A 477 ^■20.861 60.894 65.431 1.00 66, .11

3719 OH TYR A 477 ^■19.868 61.803 65.132 1.00 65, .96

3720 C TYR A 477 -26.522 57.675 6666..002211 1.00 57, .00

3721 O TYR A 477 ^•26.996 57.150 6677..003322 1.00 57, .92 3722 N SER A 478 ^■26.888 57.343 6644..778866 1.00 55, .52

3723 CA SER A 478 ^■27.881 56.308 6644..552222 1.00 52, .93

3724 CB SER A 478 ^■27.995 56.065 6633..002211 1.00 52, .33

3725 OG SER A 478 -27.071 55.076 6622..661155 1.00 54 , .10

3726 C SER A 478 -27.514 54.993 6655..222244 1.00 51, .79 3727 O SER A 478 -26.396 54.501 6655..110011 1.00 50, .35

3728 N PRO A 479 -28.468 54.410 6655..996688 1.00 52, .15

3729 CD PRO A 479 -29.795 55.023 6666..118888 1.00 51, .91

3730 CA PRO A 479 -28.340 53.156 6666..772255 1.00 51, .85

3731 CB PRO A 479 -29.787 52.833 6677..008866 1.00 53, .67 3732 CG PRO A 479 -30.345 54.228 6677..336699 1.00 53 , .20

3733 C PRO A 479 -27.641 51.990 6666..002244 1.00 50, .84

3734 O PRO A 479 -26.880 51.256 6666..666600 1.00 50, .40 3735 N GLY A 480 -27.909 51.820 64.727 1.00 49.20 3736 CA GLY A 480 -27.295 50.745 63.954 1.00 47.37 3737 C GLY A 480 -25.798 50.940 63.746 1.00 47.23 3738 O GLY A 480 -25.020 49.971 63.763 1.00 44.05 3739 N GLU A 481 25.397 52.195 63.535 1.00 46.51

3740 CA GLU A 481 23.987 52.526 63.366 1.00 47.64

3741 CB GLU A 481 ^•23.826 53.983 62.915 1.00 49.03

3742 CG GLU A 481 ^■22.383 54.491 62.852 1.00 48.27 3743 CD GLU A 481 -21.474 53.665 61.949 1.00 50.03

3744 OEl GLU A 481 -21.935 52.662 61.356 1.00 46.88

3745 OE2 GLU A 481 -20.283 54.029 61.835 1.00 49.14

3746 C GLU A 481 -23.295 52.303 64.712 1.00 48.21 3747 0 GLU A 481 -22.226 51.679 64.777 1.00 49.31 3748 N ILE A 482 -23.919 52.789 65.788 1 . 00 46 . 4 9

3749 CA ILE A 482 -23.360 52.620 67.125 1 . 00 45 . 85

3750 CB ILE A 482 -24.246 53.234 68.228 1 . 00 45 . 02

3751 CG2 ILE A 482 -23.668 52.890 69.591 1 . 00 43 . 28

3752 CGI ILE A 482 -24.329 54.757 68.065 1.00 45.68

3753 CDl ILE A 482 -25.190 55.444 69.113 1.00 45.48

3754 C ILE A 482 -23.229 5511..114455 67.425 1.00 45.82

3755 O ILE A 482 -22.218 50.690 67.968 1.00 46.64

3756 N ASN A 483 -24.264 50.398 67.065 1.00 45.38

3757 CA ASN A 483 -24.273 48.965 67.315 1.00 43.80

3758 CB ASN A 483 -25.674 48.394 67.043 1.00 43.56

3759 CG ASN A 483 -25.751 46.893 67.270 1.00 42.90

3760 ODl ASN A 483 -25.488 46.394 68.370 1.00 41.32

3761 ND2 ASN A 483 -26.111 46.165 66.221 1.00 42.35

3762 C ASN A 483 -23.215 48.234 66.494 1.00 43.19

3763 O ASN A 483 -22.607 47.289 66.986 1.00 39.94

3764 N ARG A 484 -22.983 48.672 65.254 1.00 44.74 3765 CA ARG A 484 -21.971 48.029 64.415 1.00 44.63 3766 CB ARG A 484 -22.013 48.580 62.979 1.00 45.73 3767 CG ARG A 484 -20.947 47.939 62.063 1.00 45.31

3768 CD ARG A 484 -21.059 48.316 60.588 1.00 43.60

3769 NE ARG A 484 - 20 . 980 4 9 . 753 60.318 1.00 44.33

3770 CZ ARG A 484 ^■ 20 . 906 50.279 59.093 1.00 44.37

3771 NHl ARG A 484 ^■ 20 . 892 4 9 . 482 58 . 036 1.00 44.50 3772 NH2 ARG A 484 ■20.870 51.597 5588..991188 1..00 41.94

3773 C ARG A 484 ■20.557 48.197 6644..999988 1. .00 45.18

3774 O ARG A 484 ^■19.786 47.237 6655..005566 1. .00 45.20 3775 N VAL A 485 -20.219 49.409 6655..443300 1. .00 45.29 3776 CA VAL A 485 -18.898 49.663 6666..000099 1. .00 47.87 3777 CB VAL A 485 -18.749 51.140 6666..550022 1. .00 47.72

3778 CGI VAL A 485 -17.493 51.274 6677..334466 1. .00 48.36

3779 CG2 VAL A 485 -18.672 52.102 6655..331133 1. .00 43.90

3780 C VAL A 485 -18.606 48.736 67.191 1. .00 48.92 3781 O VAL A 485 -17.587 48.036 67.211 1. .00 47.18 3782 N ALA A 486 -19.511 48.746 6688..117711 1. .00 50.69 3783 CA ALA A 486 -19.378 47.934 6699..338844 1, .00 51.32 3784 CB ALA A 486 -20.506 48.258 7700..335555 1, .00 51.54 3785 C ALA A 486 -19.344 46.442 6699..111155 1, .00 52.05 3786 O ALA A 486 -18.711 45.691 6699..885555 1, .00 51.36 3787 N SER A 487 -20.032 46.009 6688..006666 1, .00 53.41

3788 CA SER A 487 -20.049 44.592 6677..771166 1, .00 56.39

3789 CB SER A 487 -21.001 44.317 6666..555500 1, .00 56.96

3790 OG SER A 487 -22.321 44.703 6666..886644 1, .00 59.75

3791 C SER A 487 -18.646 44.253 6677..227799 1. .00 57.81

3792 O _. SER A 487 -18.136 43.164 6677..554499 1. .00 58.53

3793 N CYS A 488 -18.038 45.209 66.585 1. .00 58.60

3794 CA CYS A 488 -16.686 45.058 66.085 1. .00 59.48

3795 CB CYS A 488 -16.385 46.159 6655..006688 1. .00 62.07

3796 SG CYS A 488 -14.778 45.993 6644..226633 1. .00 67.59

3797 C CYS A 488 -15.690 45.114 6677..224411 1. .00 57.66

3798 O CYS A 488 -14.804 44.261 6677..334488 1. .00 55.78

3799 N LEU A 489 -15.841 46.111 6688..111122 1. .00 56.25

3800 CA LEU A 489 -14.945 46.242 6699..225544 1. .00 55.41

3801 CB LEU A 489 -15.355 47.431 7700..112211 1. .00 55.25

3802 CG LEU A 489 -15.490 48.733 6699..333300 1. .00 56.29

3803 CDl LEU A 489 -15.593 49.897 7700..228855 1. .00 54.56

3804 CD2 LEU A 489 -14.287 48.904 6688..440099 1. .00 56.72

3805 C LEU A 489 -14.947 44.961 7700..007777 1. .00 54.80

3806 0 LEU A 489 -13.891 44.476 7700..447799 1. .00 54.54

3807 N ARG A 490 -16.130 44.399 7700..331155 1. .00 54.53

3808 CA ARG A 490 -16.228 43.162 7711..008844 1. .00 53.53 3809 CB ARG A 490 ^■17.696 42.828 71.392 1.00 53.24

3810 CG ARG A 490 ^■18.388 43.811 72.352 1.00 53.45

3811 CD ARG A 490 -19.754 43.278 72.822 1.00 53.05

3812 NE ARG A 490 -20.707 43.102 71.720 1.00 53.43 3813 CZ ARG A 490 -21.561 44.039 71.298 1.00 53.31

3814 NHl ARG A 490 -21.599 45.236 71.886 1.00 51.17

3815 NH2 ARG A 490 -22.376 43.783 70.278 1.00 50.60

3816 C ARG A 490 -15.562 41.997 70.342 1.00 52.81

3817 O ARG A 490 -14.946 41.131 70.960 1.00 53.71 3818 N LYS A 491 -15.674 41.991 69.019 1.00 51.96

3819 CA LYS A 491 -15.076 40.940 68.194 1.00 51.85

3820 CB LYS A 491 -15.531 41.098 66.729 1.00 51.15

3821 CG LYS A 491 -14.866 40.125 65.738 1.00 52.13

3822 CD LYS A 491 -15.422 40.247 64.299 1.00 52.53 3823 CE LYS A 491 -15.068 41.587 63.635 1.00 52.69 3824 NZ LYS A 491 -15.812 41.838 62.359 1.00 48.76 3825 C LYS A 491 -13.540 40.921 68.247 1.00 52.05 3826 O LYS A 491 -12.934 39.864 68.407 1.00 49.44 3827 N LEU A 492 -12.929 42.100 68.117 1.00 52.62 3828 CA LEU A 492 -11.472 42.254 68.104 1.00 53.67

3829 CB LEU A 492 -11.107 43.539 67.355 1.00 52.39

3830 CG LEU A 492 -11.547 43.650 65.895 1.00 51.77

3831 CDl LEU A 492 -11.220 45.032 65.380 1. .00 49 .96

3832 CD2 LEU A 492 -10.859 42.587 65.060 1. .00 51 .32 33883333 C LEU A 492 -10.747 42.258 69.458 1. .00 54 .73 3834 O LEU A 492 -9.633 41.739 69.568 1. .00 55. .07 3835 N GLY A 493 -11.364 42.849 70.476 1, .00 54 .82

3836 CA GLY A 493 -10.733 42.911 71.782 1, .00 54 .39

3837 C GLY A 493 ^■10.505 44.360 72.166 1. .00 54 .70 3838 0 GLY A 493 -9.795 44.676 73.117 1. .00 55 .98

3839 N VAL A 494 ^■11.117 45.253 71.408 1. .00 55 .32

3840 CA VAL A 494 -10.993 46.679 71.663 1. .00 56. .69

3841 CB VAL A 494 -11.349 47.497 70.404 1. .00 56. .12

3842 CGI VAL A 494 -11.205 48.983 70.683 1. .00 54 , .04 3843 CG2 VAL A 494 -10.473 47.056 69.243 1. .00 55, .90

3844 C VAL A 494 -11.929 47.093 72.788 1. .00 58 .22

3845 O VAL A 494 -13.109 46.750 72.798 1. .00 58 .46 3846 N PRO A 495 -11.409 47.833 73.764 1.00 59.97 3847 CD PRO A 495 -10.022 48.289 73.977 1.00 61.39

3848 CA PRO A 495 -12.279 48.254 74.858 1.00 60.92

3849 CB PRO A 495 -11.406 49.245 75.618 1.00 61.15

3850 CG PRO A 495 -10.029 48.663 75.438 1.00 61.71

3851 C PRO A 495 -13.535 48.908 74.291 1.00 61.34 3852 O PRO A 495 -13.502 49.505 73.216 1.00 62.54 3853 N PRO A 496 -14.666 48.785 74.991 1.00 61.02 3854 CD PRO A 496 -14.932 48.140 76.285 1.00 60.76 33885555 CA PRO A 496 -15.874 49.412 74.465 1.00 60.87 3856 CB PRO A 496 -16.947 48.960 75.445 1.00 61.17 3857 CG PRO A 496 -16.184 48.852 76.727 1.00 61.56 3858 C PRO A 496 -15.686 50.923 74.449 1.00 60.75 3859 O PRO A 496 -14.715 51.439 74.992 1.00 60.98 3860 N LEU A 497 -16.631 51.624 73.841 1.00 61.18 3861 CA LEU A 497 -16.571 53.068 73.716 1.00 61.92 3862 CB LEU A 497 -17.824 53.547 72.985 1.00 61.70 3863 CG LEU A 497 -18.009 52.841 71.634 1.00 62.87 3864 CDl LEU A 497 -19.251 53.375 70.927 1.00 61.77 3865 CD2 LEU A 497 -16.764 53.060 70.766 1.00 62.60 3866 C LEU A 497 -16.361 53.882 74.994 1.00 62.95 3867 O LEU A 497 -15.489 54.749 75.033 1.00 63.74 3868 N ARG A 498 -17.148 5533..661199 76.035 1.00 64.37 3869 CA ARG A 498 ^■17.017 54.378 77.280 1.00 63.79 3870 CB ARG A 498 -17.953 53.820 78.358 1.00 63.19 3871 CG ARG A 498 -17.602 52.427 78.815 1.00 64.61 3872 CD ARG A 498 ^■ 18 . 195 52.123 80.183 1.00 66.00 3873 NE ARG A 498 • 17 . 734 50.825 80.670 1.00 66.70 3874 CZ ARG A 498 -18.057 49.664 80.110 1.00 67.07 3875 NHl ARG A 498 18.854 49.639 79.046 1.00 64.87

3876 NH2 ARG A 498 17.570 48.530 80.605 1.00 67.26

3877 C ARG A 498 -15.576 54.448 77.816 1.00 63.37 3878 O ARG A 498 -15.165 55.495 78.322 1.00 64.47 3879 N VAL A 499 -14.813 53.356 77.711 1.00 61.11 3880 CA VAL A 499 -13.420 53.355 78.175 1.00 59.85

3881 CB VAL A 499 -12.751 51.958 78.019 1.00 60.32

3882 CGI VAL A 499 -11.263 52.054 78.324 1.00 58.45 3883 CG2 VAL A 499 -13.394 50.950 78.961 1.00 59.88 3884 C VAL A 499 -12.588 54.373 77.384 1.00 59.48 3885 0 VAL A 499 -11.712 55.038 77.938 1.00 58.76 3886 N TRP A 500 -12.858 54.478 76.085 1.00 59.86 3887 CA TRP A 500 -12.143 55.423 75.234 1.00 60.36 3888 CB TRP A 500 -12.447 55.169 73.745 1.00 58.32 3889 CG TRP A 500 -11.909 53.862 73.259 1.00 56.43 3890 CD2 TRP A 500 -10.557 53.582 72.884 1.00 56.66 3891 CE2 TRP A 500 ^■10.471 52.194 72.625 1.00 56.02 3892 CE3 TRP A 500 -9.404 54.367 72.749 1.00 57.01 3893 CDl TRP A 500 ^■12.573 52.670 73.203 1.00 56.07 3894 NEl TRP A 500 -11.716 51.661 72.826 1.00 54.90 3895 CZ2 TRP A 500 -9.277 51.575 72.241 1.00 56.09 33889966 CZ3 TRP A 500 -8.216 53.749 72.369 1.00 56.20 33889977 CH2 TRP A 500 -8.163 52.367 72.120 1.00 56.08 3898 C TRP A 500 -12.546 56.839 75.615 1.00 62.05 3899 OO TRP A 500 -11.782 57.791 75.423 1.00 61.17 3900 N ARG A 501 -13.754 56.978 76.154 1.00 63.73

3901 CA ARG A 501 -14.234 58.287 76.573 1.00 65.60 3902 CB ARG A 501 -15.688 58.216 77.021 1.00 64.82 3903 CG ARG A 501 -16.224 59.555 77.467 1.00 64.11 3904 CD ARG A 501 -17.487 59.400 78.275 1.00 64.44 3905 NE ARG A 501 -18.148 60.687 78.454 1.00 66.00 3906 CZ ARG A 501 -18.635 61.416 77.453 1.00 66.02 3907 NHl ARG A 501 ^■18.538 60.974 76.202 1.00 65.29 3908 NH2 ARG A 501 -19.209 62.591 77.702 1.00 66.71

3909 C ARG A 501 -13.379 58.747 77.746 1.00 67.23 3910 O ARG A 501 -13.191 59.950 77.962 1.00 67.59 3911 N HIS A 502 -12.883 57.773 78.509 1.00 67.60 3912 CA HIS A 502 -12.041 58.046 79.670 1.00 68.39 3913 CB HIS A 502 -11.786 56.760 80.476 1.00 68.91 3914 CG HIS A 502 -13.023 56.145 81.058 1.00 70.29

3915 CD2 HIS A 502 -14.302 56.590 81.119 1.00 70.04 3916 NDl HIS A 502 -13.020 54.908 81.670 1.00 70.04 3917 CEl HIS A 502 -14.243 54.619 82.080 1.00 70.82 3918 NE2 HIS A 502 -15.041 55.623 81.757 1.00 68.94 3919 C HIS A 502 -10.712 58.575 79.153 1.00 67.96 3920 0 HIS A 502 -10..351 59..744 79..368 1..00 68,.18

3921 N ARG A 503 -9. .995 57. .694 78. .464 1. .00 65, .55

3922 CA ARG A 503 -8. .698 58. .018 77. .896 1. .00 63, .04

3923 CB ARG A 503 -8. .279 56. .897 76. .955 1. .00 60, .12

3924 CG ARG A 503 -8. .315 55. .521 77, .607 1. .00 56, .91

3925 CD ARG A 503 -7. .860 54. .483 76. .621 1. .00 56, .77

3926 NE ARG A 503 -7. .819 53. .130 77. .159 1. .00 55, .98

3927 CZ ARG A 503 -7. .448 52. .078 76. .437 1. .00 57, .85

3928 NHl ARG A 503 -7. .097 52. .253 75. .168 1. .00 58, .67

3929 NH2 ARG A 503 -7. .432 50, .856 76 , .965 1. .00 55, .77

3930 C ARG A 503 -8. .727 59, .356 77. .167 1. .00 62, .91

3931 0 ARG A 503 -7. .884 60, .209 77, .395 1. .00 63, .61

3932 N ALA A 504 -9. .711 59, .542 76, .302 1. .00 64 , .78

3933 CA ALA A 504 -9. .842 60, .782 75, .552 1. .00 66, .90

3934 CB ALA A 504 -11. .130 60, .762 74, .730 1. .00 66, .35

3935 C ALA A 504 -9, .827 62, .005 76, .461 1. .00 69, .11

3936 0 ALA A 504 -9, .275 63, .048 76, .099 1. .00 70, .51

3937 N ARG A 505 -10. .440 61, .884 77, .637 1, .00 71, .24

3938 CA ARG A 505 -10, .493 62, .994 78, .591 1 , .00 72, .68

3939 CB ARG A 505 -11, .557 62, .708 79, .662 1. .00 75 .10

3940 CG ARG A 505 -11, .981 63, .930 80, .474 1. .00 78, .62

3941 CD ARG A 505 -13, .149 63, .646 81. .441 1. .00 80, .22

3942 NE ARG A 505 -14, .422 63, .436 80, .750 1. .00 82, .25

3943 CZ ARG A 505 -15, .619 63, .573 81, .319 1. .00 83, .12

3944 NHl ARG A 505 -15, .714 63, .926 82, .595 1, .00 83 .41

3945 NH2 ARG A 505 -16, .723 63, .352 80, .611 1. .00 81, .99

3946 C ARG A 505 -9, .102 63, .168 79, .220 1. .00 71, .73

3947 0 ARG A 505 -8, .596 64, .290 79, .342 1. .00 69, .58

3948 N SER A 506 -8, .496 62, .039 79, .600 1. .00 71, .70

3949 CA SER A 506 -7, .153 62, .003 80, .183 1. .00 71, .69

3950 CB SER A 506 -6, .738 60, .549 80, .434 1. .00 71, .11

3951 OG SER A 506 -5, .348 60, .441 80, .674 1. .00 73, .79

3952 C SER A 506 -6, .184 62, .660 79, .197 1. .00 72, .03

3953 0 SER A 506 -5, .570 63, .690 79, .498 1. .00 73 , .33

3954 N VAL A 507 -6, .065 62, .053 78, .017 1. .00 71, .20

3955 CA VAL A 507 -5, .208 62, .548 76, .939 1. .00 69, .44

3956 CB VAL A 507 -5. .345 61, .642 75, .688 1. .00 67. .74 3957 CGI VAL A 507 -4.676 62.280 74.492 1.00 68.07

3958 CG2 VAL A 507 -4.733 60.290 75.968 1.00 67.03

3959 C VAL A 507 -5.558 63.995 76.561 1.00 68.95

3960 O VAL A 507 -4.673 64.810 76.325 1.00 69.30

3961 N ARG A 508 -6.846 64.311 76.501 1.00 69.37 3962 CA ARG A 508 -7.285 65.663 76.158 1.00 70.55

3963 CB ARG A 508 -8.813 65.759 76.240 1.00 70.15

3964 CG ARG A 508 -9.368 67.174 76.177 1.00 69.05

3965 CD ARG A 508 -10.889 67.164 76.174 1.00 68.44

3966 NE ARG A 508 -11.443 68.502 76.343 1.00 68.53

3967 CZ ARG A 508 -11.394 69.187 77.479 1.00 69.51 3968 NHl ARG A 508 -10.815 68.653 78.552 1.00 67.89 3969 NH2 ARG A 508 -11.919 70.407 77.541 1.00 70.25 3970 C ARG A 508 -6.664 66.700 77.093 1.00 71.70

3971 O ARG A 508 ^■6.649 67.896 76.785 1.00 72.51 3972 N ALA A 509 ^•6.161 66.234 78.235 1.00 71.83 3973 CA ALA A 509 -5.540 67.112 79.231 1.00 71.55 3974 CB ALA A 509 -55..663311 66.468 80.628 1.00 71.71 3975 C ALA A 509 -4.078 67.393 78.876 1.00 70.62 3976 O ALA A 509 -3.679 68.549 78.677 1.00 68.70 3977 N LYS A 510 -3.292 66.320 78.800 1.00 69.70 3978 CA LYS A 510 -1.880 66.407 78.463 1.00 69.51 3979 CB LYS A 510 -1.303 65.001 78.288 1.00 65.29 3980 CG LYS A 510 -1.637 64.044 79.418 1.00 62.95 3981 CD LYS A 510 -0.915 62.702 79.254 1.00 60.06 3982 CE LYS A 510 -1.270 61.726 80.377 1.00 57.34 3983 NZ LYS A 510 -0.498 60.452 80.291 1.00 53.12 3984 C LYS A 510 -1.691 67.203 77.169 1.00 71.88 3985 O LYS A 510 -0.566 67.549 76.805 1.00 73.63 3986 N LEU A 511 -2.799 67.479 76.481 1.00 73.57 3987 CA LEU A 511 -2.783 68.224 75.222 1.00 75.05 3988 CB LEU A 511 -3.698 67.539 74.196 1.00 75.18 3989 CG LEU A 511 -3.250 66.155 73.712 1.00 74.59 3990 CDl LEU A 511 -4.347 65.507 72.877 1.00 74.04 3991 CD2 LEU A 511 -1.969 66.304 72.905 1.00 74.05 3992 C LEU A 511 ^■3.221 69.675 75.415 1.00 75.24 3993 O LEU A 511 •2.941 70.541 74.582 1.00 75.18 3994 N LEU A 512 -3.925 69.935 76.510 1 . 00 75 . 59

3995 CA LEU A 512 -4.377 71.288 76.811 1 . 00 75 . 77

3996 CB LEU A 512 -5.646 71.238 77.663 1 . 00 74 . 80

3997 CG LEU A 512 -6.919 70.884 76.890 1 . 00 74 . 46

3998 CDl LEU A 512 -8.016 70.466 77.863 1 . 00 73 . 87

3999 CD2 LEU A 512 -7.344 72.085 76.034 1 . 00 72 . 85

4000 C LEU A 512 -3.256 72.001 77.560 1.00 75.52

4001 O LEU A 512 -3.103 73.224 77.472 1.00 76.03

4002 N SER A 513 -2.469 71.218 78.291 1.00 74.85

4003 CA SER A 513 -1.348 71.750 79.048 1.00 74.63

4004 CB SER A 513 -0.974 70.798 80.197 1.00 73.99

4005 OG SER A 513 -0.674 69.491 79.737 1.00 74.35

4006 C SER A 513 -0.151 71.977 78.128 1.00 74.47

4007 O SER A 513 00..665500 7722..888800 78.355 1.00 76.05

4008 N GLN A 514 -0.034 71.166 77.081 1.00 74.07

4009 CA GLN A 514 1.065 71.304 76.128 1.00 72.03

4010 CB GLN A 514 1.094 70.093 75.180 1.00 72.50

4011 CG GLN A 514 2.463 69.795 74.577 1.00 72.28

4012 CD GLN A 514 2.826 68.318 74.660 1.00 72.69

4013 OEl GLN A 514 2.568 67.659 75.675 1.00 71.40

4014 NE2 GLN A 514 3. .444 67 .795 73 .602 1, .00 71, .96

4015 C GLN A 514 0. .863 72 .599 75, .333 1, .00 70, .23

4016 O GLN A 514 i. .645 72 .920 74, .441 1. .00 70, .05

4017 N GLY A 515 0, .201 73 .325 75 .674 1, .00 69, .12

4018 CA GLY A 515 0, .526 74 .582 75, .021 1, .00 68, .86

4019 C GLY A 515 0. .231 74. .659 73, .537 1. .00 69, .64

4020 O GLY A 515 0. .025 73, .644 72, .872 1, .00 69, .84

4021 N GLY A 516 0. .225 75, .877 73, .012 1. .00 70, .20

4022 CA GLY A 516 0, .061 76, .073 71, .604 1, .00 71, .50

4023 C GLY A 516 0. .889 75, .361 70, .660 1. .00 72, .26

4024 O GLY A 516 2. .104 75, .553 70, .731 1. .00 73 , .09

4025 N ARG A 517 0. .334 74 , .534 69, .775 1. .00 72, .13

4026 CA ARG A 517 1. .139 73, .802 68, .798 1. .00 71. .53

4027 CB ARG A 517 0. .335 73, .593 67, .511 1. .00 72. .56

4028 CG ARG A 517 0. .179 74 , .897 66, .901 1. .00 73. .67

4029 CD ARG A 517 1, .272 74 .644 65 .872 1, .00 73, .64 4030 NE ARG A 517 0, .757 74 .064 64 .634 1, .00 72, .70 4031 CZ ARG A 517 1..291 73,.008 64..026 1..00 72..51

4032 NHl ARG A 517 2. .356 72, .402 64. .541 1. .00 71. .51

4033 NH2 ARG A 517 0. .766 72, .565 62. .894 1. .00 73. .38

4034 C ARG A 517 -1, .625 72, .462 69. .334 1. .00 70, .11

4035 0 ARG A 517 -2. .738 72, .036 69. .027 1. .00 69, .21

4036 N ALA A 518 -0. .796 71, .799 70. .135 1. .00 69, .27

4037 CA ALA A 518 -1. .181 70 .516 70. .713 1. .00 70, .13

4038 CB ALA A 518 -0, .071 69 .983 71. .612 1. .00 68, .51

4039 C ALA A 518 -2, .452 70 .733 71. .525 1. .00 71, .17

4040 0 ALA A 518 -3, .149 69 .780 71, .900 1. .00 70, .72

4041 N ALA A 519 -2, .739 72 .006 71, .786 1, .00 71, .97

4042 CA ALA A 519 -3, .905 72 .406 72, .559 1. .00 73, .47

4043 CB ALA A 519 -3, .639 73 .744 73, .257 1, .00 74 , .70

4044 C ALA A 519 -5. .153 72 .506 71, .690 1. .00 73, .50

4045 0 ALA A 519 -6. .211 71 .986 72, .067 1, .00 73, .88

4046 N ILE A 520 -5 .045 73 .175 70, .540 1, .00 73, .08

4047 CA ILE A 520 -6 .202 73 .299 69, .656 1. .00 72, .59

4048 CB ILE A 520 -5. .869 74 .057 68, .357 1. .00 70, .88

4049 CG2 ILE A 520 -7 .031 73 .946 67, .382 1, .00 70, .42

4050 CGI ILE A 520 -5. .601 75 .530 68, .672 1, .00 70, .26

4051 CDl ILE A 520 -5.437 76.403 67.446 1, .00 67, .85

4052 C ILE A 520 -6.714 71.901 69.312 1. .00 72, .77

4053 O ILE A 520 -7.898 71.719 69.023 1, .00 73, .18

4054 N CYS A 521 -5.813 70.922 69.361 1, .00 73, .05

4055 CA CYS A 521 -6.165 69.534 69.090 1, .00 74, .10

4056 CB CYS A 521 -4.904 68.671 68.937 1, .00 74, .01

4057 SG CYS A 521 -4.120 68.755 67.302 1, .00 75, .41

4058 C CYS A 521 -7.007 68.999 70.245 1, .00 73, .88

4059 O CYS A 521 -8.174 68.642 70.064 1, .00 74, .47

4060 N GLY A 522 -6.410 68.951 71.434 1, .00 73, .41

4061 CA GLY A 522 -7.122 68.460 72.599 1, .00 71, .65

4062 C GLY A 522 -8.404 69.225 72.873 1, .00 70, .88

4063 0 GLY A 522 -9.194 68.828 73.726 1, .00 71, .68

4064 N LYS A 523 -8.612 70.322 72.150 1, .00 69, .53

4065 CA LYS A 523 -9.804 71.139 72.323 1. .00 67, .91

4066 CB LYS A 523 -9.470 72.617 72.115 1, .00 67, .51

4067 CG LYS A 523 10.688 73.538 72.038 1, .00 66, .96 4068 CD LYS A 523 -10.262 74.995 71.895 1.00 66.73

4069 CE LYS A 523 -11.450 75.942 71.812 1.00 66.66

4070 NZ LYS A 523 -11.004 77.364 71.752 1.00 65.78

4071 C LYS A 523 -10.908 70.742 71.362 1.00 67.62 4072 O LYS A 523 -12.056 70.577 71.773 1.00 68.96

4073 N TYR A 524 -10.560 70.597 70.085 1.00 65.72

4074 CA TYR A 524 -11.536 70.234 69.053 1.00 64.13

4075 CB TYR A 524 -11.192 70.918 67.733 1.00 62.93

4076 CG TYR A 524 -11.461 72.400 67.690 1.00 61.39 4077 CDl TYR A 524 -10.790 73.287 68.533 1.00 61.95

4078 CEl TYR A 524 -11.003 74.669 68.439 1.00 61.68

4079 CD2 TYR A 524 -12.352 72.923 66.760 1.00 61.17

4080 CE2 TYR A 524 -12.571 74.288 6666..665577 1, .00 61.20

4081 CZ TYR A 524 ^■11.898 75.155 6677..449922 1, .00 61.29 4082 OH TYR A 524 ^•12.138 76.499 6677..336655 1, .00 60.73

4083 C TYR A 524 ^•11.684 68.738 6688..778866 1, .00 62.70

4084 O TYR A 524 ^■12.775 68.269 6688..449933 1, .00 62.27

4085 N LEU A 525 ^■10.584 67.998 6688..887722 1, .00 62.14

4086 CA LEU A 525 ^•10.612 66.561 6688..662222 1, .00 61.74 4087 CB LEU A 525 -9.237 66.060 6688..115511 1, .00 61.44

4088 CG LEU A 525 -8.516 66.767 6666..999966 1, .00 59.67

4089 CDl LEU A 525 -7.307 65.939 6666..559966 1, .00 58.28

4090 CD2 LEU A 525 -9.452 66.951 6655..881166 1, .00 59.45

4091 C LEU A 525 ^■11.019 65.778 6699..8866 22 1, .00 62.13 4092 O LEU A 525 ^■11.005 64.545 6699..8866 00 1, .00 62.40

4093 N PHE A 526 ^•11.364 66.484 7700..9933 00 1, .00 62.25

4094 CA PHE A 526 ^■11.773 65.804 7722..1155 11 1, .00 62.48

4095 CB PHE A 526 ^■10.539 65.486 7733..000077 1, .00 62.86

4096 CG PHE A 526 -9.590 64.508 7722..335599 1, .00 65.46 4097 CDl PHE A 526 ^■8.488 64.957 71.627 1, .00 66.61

4098 CD2 PHE A 526 -9.822 63.132 7722..4444 33 1. .00 65.63

4099 CEl PHE A 526 -7.632 64.045 70.989 1.00 67.09

4100 CE2 PHE A 526 -8.976 62.215 71.810 1.00 65.11

4101 CZ PHE A 526 -7.880 62.672 71.082 1.00 66.69 4102 C PHE A 526 ^•12.822 66.583 72.953 1.00 61.02

4103 O PHE A 526 ^•13.115 66.260 74.101 1.00 60.50

4104 N ASN A 527 •13.398 67.602 72.326 1.00 61.24 4105 CA ASN A 527 -14.426 68.415 72.955 1.00 61.79

4106 CB ASN A 527 -14.842 69.540 72.001 1.00 63.00

4107 CG ASN A 527 -15.680 70.611 72.677 1.00 64.44

4108 ODl ASN A 527 -15.248 71.229 73.657 1.00 64.00 4109 ND2 ASN A 527 -16.881 70.846 72.149 1.00 63.62

4110 C ASN A 527 ^■15.633 67.528 73.263 1.00 62.16

4111 O ASN A 527 ^■16.574 67.965 73.928 1.00 62.36

4112 N TRP A 528 •15.583 66.279 72.788 1.00 61.66

4113 CA TRP A 528 ^■16.670 65.317 72.972 1.00 60.20 4114 CB TRP A 528 ^■16.798 64.381 71.749 1.00 57.27

4115 CG TRP A 528 ^■15.567 63.537 71.439 1.00 53.11

4116 CD2 TRP A 528 •15.148 62.331 72.102 1.00 49.20

4117 CE2 TRP A 528 -13.926 61.930 71.513 1.00 48.37

4118 CE3 TRP A 528 -15.684 61.553 73.135 1.00 48.14 44111199 CDl TRP A 528 -14.610 63.803 70.501 1.00 53.06 4120 NEl TRP A 528 -13.623 62.845 70.540 1.00 51.00 4121 CZ2 TRP A 528 -13.229 60.785 71.923 1.00 47.79 4122 CZ3 TRP A 528 -14.987 60.408 73.543 1.00 48.75 4123 CH2 TRP A 528 -13.773 60.039 72.934 1.00 46.29 44112244 C TRP A 528 -16.590 64.460 74.224 1.00 61.86 4125 0 TRP A 528 -17.621 64.025 74.737 1.00 63.03 4126 N ALA A 529 •15.387 64.194 74.717 1.00 63.73 4127 CA ALA A 529 •15.259 63.359 75.914 1.00 68.21 4128 CB ALA A 529 ^■13.931 62.587 75.889 1.00 67.40 4129 C ALA A 529 ^■15.362 64.174 77.200 1.00 70.02 4130 O ALA A 529 -14.820 63.785 78.237 1.00 70.28 4131 N VAL A 530 -16.070 65.296 77.139 1.00 71.67 4132 CA VAL A 530 -16.199 66.144 78.312 1.00 74.61 4133 CB VAL A 530 -15.210 67.346 78.230 1.00 75.26 44113344 CGI VAL A 530 ^•13.769 66.840 78.109 1.00 75.23 4135 CG2 VAL A 530 •15.562 68.231 77.042 1.00 75.07

4136 C VAL A 530 ^•17.611 66.687 78.510 1.00 75.97

4137 O VAL A 530 ^■18.288 67.045 77.541 1.00 76.62 4138 N ARG A 531 -18.046 66.742 79.770 1.00 76.55 4139 CA ARG A 531 -19.364 67.274 80.111 1.00 76.65

4140 CB ARG A 531 •19.661 67.047 81.599 1.00 77.32 4141 CG ARG A 531 -20.822 66.083 81.901 1.00 77.72 4142 CD ARG A 531 -21.004 65.932 83.416 1.00 78.76

4143 NE ARG A 531 -22.151 65.108 83.810 1.00 81.32

4144 CZ ARG A 531 -22.289 63.806 83.554 1.00 80.56 4145 NHl ARG A 531 -23.374 63.165 83.968 1.00 79.60 4146 NH2 ARG A 531 -21.356 63.143 82.880 1.00 81.05

4147 C ARG A 531 -19.347 68.777 79.801 1.00 76.71 4148 O ARG A 531 -20.267 69.305 79.169 1.00 75.58 4149 N THR A 532 -18.287 69.456 80.240 1.00 77.53 4150 CA THR A 532 -18.130 70.896 80.000 1.00 77.95 4151 CB THR A 532 -17.083 71.531 80.957 1.00 79.08

4152 OGl THR A 532 ^■17.576 71.486 82.303 1.00 80.05

4153 CG2 THR A 532 -16.804 72.987 80.568 1.00 78.89

4154 C THR A 532 -17.670 71.137 78.567 1.00 77.15 4155 O THR A 532 -16.502 70.931 78.235 1.00 77.35 4156 N LYS A 533 -18.585 71.589 77.721 1.00 76.14 4157 CA LYS A 533 -18.239 71.826 76.332 1.00 75.76 4158 CB LYS A 533 -19.378 71.341 75.435 1.00 73.90 4159 CG LYS A 533 -19.679 69.868 75.661 1.00 71.34

4160 CD LYS A 533 -20.238 69.207 74.423 1.00 70.25

4161 CE LYS A 533 -20.412 67.713 74.644 1.00 70.70

4162 NZ LYS A 533 -19.145 67.047 75.039 1.00 68.92 4163 C LYS A 533 -17.863 73.271 76.013 1.00 75.93 4164 O LYS A 533 18.664 74.200 76.179 1.00 76.15 4165 N LEU A 534 ^■16.622 73.430 75.554 1.00 75.25

4166 CA LEU A 534 •16.047 74.721 75.195 1.00 73.63

4167 CB LEU A 534 -14.524 74.654 75.338 1.00 73.01

4168 CG LEU A 534 -13.981 73.388 76.027 1.00 72.51

4169 CDl LEU A 534 -12.474 73.332 75.883 1.00 72.25

4170 CD2 LEU A 534 -14.378 73.368 77.496 1.00 72.12

4171 C LEU A 534 -16.412 75.063 73.755 1.00 73.31

4172 O LEU A 534 -15.927 74.430 72.822 1.00 73.47

4173 N LYS A 535 -17.269 76.065 73.583 1.00 74.34

4174 CA LYS A 535 -17.704 76.498 72.258 1.00 75.54

4175 CB LYS A 535 -18.380 77.868 72.352 1.00 75.76

4176 CG LYS A 535 -19.675 77.858 73.151 1.00 77.74

4177 CD LYS A 535 -20.356 79.217 73.113 1.00 79.61

4178 CE LYS A 535 -21.693 79.196 73.846 1.00 80.01 4179 NZ LYS A 535 -22.364 80.533 73.808 1.00 79.96

4180 C LYS A 535 -16.548 76.561 71.263 1.00 75.38

4181 0 LYS A 535 -15.529 77.207 71.523 1. .00 76, .16 4182 N LEU A 536 -16.716 75.889 70.124 1, .00 75. .57 4183 CA LEU A 536 -15.691 75.844 69.080 1, .00 74. .41

4184 CB LEU A 536 -15.591 74.419 68.522 1, .00 73. .50

4185 CG LEU A 536 -15.472 73.294 69.566 1, .00 74. .92

4186 CDl LEU A 536 -15.557 71.935 68.876 1, .00 74 .68 4187 CD2 LEU A 536 -14.163 73.420 70.347 1, .00 75. .23 4188 C LEU A 536 -15.989 76.839 67.949 1, .00 74 .45 4189 0 LEU A 536 -17.095 76.872 67.396 1, .00 73 .84

4190 N THR A 537 •14.996 77.656 67.612 1, .00 74 .16

4191 CA THR A 537 ^■15.151 78.657 66.555 1, .00 73 .63

4192 CB THR A 537 ^■14.797 80.078 67.059 1, .00 74 .48

4193 OGl THR A 537 ■13.447 80.092 67.549 1 .00 74 .70

4194 CG2 THR A 537 ^■15.753 80.506 68.167 1, .00 75 .36

4195 C THR A 537 ^■14.260 78.353 65.357 1 .00 72 .17 4196 O THR A 537 -13.241 77.661 65.480 1, .00 71 .63 4197 N PRO A 538 -14.631 78.879 64.177 1 .00 70 .89

4198 CD PRO A 538 -15.799 79.734 63.899 1 .00 69 .68

4199 CA PRO A 538 -13.848 78.651 62.962 1 .00 70 .82

4200 CB PRO A 538 -14.459 79.637 61.972 1.00 70.00

4201 CG PRO A 538 -15.899 79.666 62.390 1.00 69.95

4202 C PRO A 538 ^•12.365 78.913 63.205 1. .00 71, .44

4203 O PRO A 538 ^■11.951 80.065 63.350 1. .00 72, .91 4204 N ILE A 539 ^■11.578 77.840 63.268 1. .00 71, .39

4205 CA ILE A 539 ^•10.140 77.950 63.490 1. .00 70, .91

4206 CB ILE A 539 -9.458 76.564 63.389 1. .00 69, .71

4207 CG2 ILE A 539 -7.997 76.664 63.806 1. .00 68, .90

4208 CGI ILE A 539 ^■10.182 75.562 64.289 1. .00 69, .72

4209 CDl ILE A 539 -9.625 74.148 64.214 1. .00 66, .27

4210 C ILE A 539 -9.538 78.889 62.436 1. .00 72, .26

4211 O ILE A 539 -9.965 78.888 61.276 1. .00 71, .33

4212 N PRO A 540 -8.549 79.715 62.832 1. .00 73, .26

4213 CD PRO A 540 -8.041 79.895 64.208 1. .00 73 , .13

4214 CA PRO A 540 -7.898 80.658 61.911 1. .00 73, .58

4215 CB PRO A 540 ^■6.816 81.295 62.785 1. .00 73, .75 4216 CG PRO A 540 ■7.441 81.280 64.155 1.00 73.10

4217 C PRO A 540 ^■7.312 79.999 60.653 1.00 74.24

4218 0 PRO A 540 ^■7.651 80.372 59.523 1.00 73.70 4219 N ALA A 541 ^•6.433 79.020 60.861 1.00 75.34

4220 CA ALA A 541 -5.780 78.300 59.766 1.00 76.63

4221 CB ALA A 541 -4.782 77.300 60.337 1.00 75.62

4222 C ALA A 541 -6.751 77.580 58.820 1.00 77.88

4223 0 ALA A 541 -6.459 77.415 57.633 1.00 77.61

4224 N ALA A 542 -7.897 77.153 59.349 1.00 79.20 44222255 CA ALA A 542 -8.916 76.446 58.568 1.00 80.76

4226 CB ALA A 542 10.265 76.540 59.272 1.00 80.67

4227 C ALA A 542 -9.048 76.954 57.131 1.00 81.82

4228 O ALA A 542 -9.140 76.166 56.188 1.00 82.14

4229 N SER A 543 -9.064 78.272 56.970 1.00 82.98

4230 CA SER A 543 -9.178 78.881 55.647 1.00 83.71

4231 CB SER A 543 -9.792 80.273 55.766 1.00 84.45

4232 OG SER A 543 -8.984 81.095 56.596 1.00 85.64

4233 C SER A 543 -7.796 79.009 55.020 1.00 83.87

4234 O SER A 543 -7.625 78.832 53.807 1, .00 84. .14 4235 N ARG A 544 -6.822 79.323 55.874 1, .00 83. .45 4236 CA ARG A 544 -5.422 79.517 55.490 1. .00 82 .85 4237 CB ARG A 544 -4.632 80.005 56.723 1 , .00 82. .98

4238 CG ARG A 544 -3.319 80.709 56.421 1, .00 83, .34

4239 CD ARG A 544 -2.720 81.348 57.673 1. .00 84, .72 4240 NE ARG A 544 -1.543 82.162 57.352 1, .00 87, .50

4241 CZ ARG A 544 -0.817 82.837 58.244 1. .00 88, .09

4242 NHl ARG A 544 0.236 83.548 57.846 1, .00 87, .81

4243 NH2 ARG A 544 -1.134 82.806 59.534 1. .00 88, .13

4244 C ARG A 544 -4.787 78.242 54.924 1. .00 81, .78 44224455 O ARG A 544 -3.583 78.009 55.101 1. .00 80, .78 4246 N LEU A 545 -5.592 77.422 54.244 1. .00 81, .12 4247 CA LEU A 545 -5.092 76.171 53.675 1. .00 80, .00

4248 CB LEU A 545 -4.996 75.107 54.772 1. .00 79, .29

4249 CG LEU A 545 -4.166 73.871 54.434 1. .00 78, .77 4250 CDl LEU A 545 -2.756 74.274 54.003 1. .00 77, .79

4251 CD2 LEU A 545 -4.120 72.975 55.649 1. .00 78, .11

4252 C LEU A 545 -5.914 75.616 52.511 1. .00 78. .86 4253 O LEU A 545 ^•7.106 75.315 52.658 1.00 79.18 4254 N LEU A 546 ^■5.256 75.484 51.359 1.00 77.64 4255 CA LEU A 546 ^■5.876 74.947 50.146 1.00 76.01 4256 CB LEU A 546 ^■5.296 75.636 48.891 1.00 75.29 4257 CG LEU A 546 -4.602 74.884 47.738 1.00 75.31 4258 CDl LEU A 546 -4.580 75.787 46.505 1.00 74.50 4259 CD2 LEU A 546 -3.175 74.462 48.124 1.00 73.06 4260 C LEU A 546 -5.629 73.436 50.105 1.00 75.08 4261 O LEU A 546 -4.492 7722..996611 50.240 1.00 73.97 44226622 N LEU A 547 -6.705 72.681 49.937 1.00 73.76 4263 CA LEU A 547 -6.594 71.232 49.897 1.00 73.69 4264 CB LEU A 547 -7.358 70.625 51.075 1.00 72.12

4265 CG LEU A 547 -6.888 71.028 52.471 1.00 69.49

4266 CDl LEU A 547 7. .882 70, .515 53. .496 1. .00 69. .22 4267 CD2 LEU A 547 5. .497 70. .466 52. .732 1. .00 69. .38

4268 C LEU A 547 7, .114 70. .647 48. .588 1, .00 72. .96 4269 0 LEU A 547 7, .291 69. .436 48. .480 1, .00 73. .50 4270 N SER A 548 7, .342 71. .508 47. .597 1. .00 72, .87

4271 CA SER A 548 7, .852 71. .080 46. .290 1, .00 71, .29 4272 CB SER A 548 7. .762 72. .223 45, .283 1, .00 72, .29

4273 OG SER A 548 8, .023 71. .744 43, .972 1. .00 72, .14 4274 C SER A 548 7, .167 69. .860 45, .681 1, .00 69, .79 4275 O SER A 548 7, .839 68. .954 45, .182 1. .00 70, .49 4276 N GLY A 549 5, .835 69. .849 45, .702 1, .00 67, .26 4277 CA GLY A 549 5, .094 68. .737 45. .130 1. .00 62, .93 4278 C GLY A 549 5, .522 67. .382 45. .655 1. .00 59, .58 4279 O GLY A 549 5, .475 66. .387 44. .931 1. .00 57, .16 4280 N TRP A 550 5, .941 67. .362 46. .919 1. .00 58, .62

4281 CA TRP A 550 6, .378 66. .150 47. .612 1. .00 57. .28 4282 CB TRP A 550 6, .853 66. .503 49. .024 1. .00 58. .07

4283 CG TRP A 550 ^■5.744 66.789 49.997 1.00 61.65

4284 CD2 TRP A 550 ^■5.781 66.608 51.423 1.00 62.99

4285 CE2 TRP A 550 ^•4.516 66.988 51.925 1.00 63.46

4286 CE3 TRP A 550 -6.761 66.161 52.323 1.00 62.95 4287 CDl TRP A 550 -4.499 67.262 49.706 1.00 62.40

4288 NEl TRP A 550 ^■3.754 67.382 50.858 1.00 64.13

4289 CZ2 TRP A 550 ^■4.203 66.934 53.287 1.00 64.27 4290 CZ3 TRP A 550 -6.451 66.108 53.677 1.00 62.48 4291 CH2 TRP A 550 -5.181 66.493 54.145 1.00 65.14 4292 C TRP A 550 -7.471 65.351 46.908 1.00 55.84 4293 O TRP A 550 -7.371 64.131 46.814 1.00 56.26 4294 N PHE A 551 -8.495 66.034 46.401 1.00 53.10 4295 CA PHE A 551 -9.607 65.355 45.746 1.00 50.87 4296 CB PHE A 551 ^•10.884 65.578 46.556 1.00 49.56 4297 CG PHE A 551 ^■10.738 65.220 47.998 1.00 47.81 4298 CDl PHE A 551 ^■10.576 66.205 48.955 1.00 48.01 4299 CD2 PHE A 551 ■10.677 63.889 48.392 1.00 47.56 4300 CEl PHE A 551 -10.346 65.866 50.287 1.00 49.32

4301 CE2 PHE A 551 -10.447 63.545 49.720 1.00 48.28 4302 CZ PHE A 551 -10.280 64.536 50.667 1.00 48.41 4303 C PHE A 551 -9.869 65.735 44.302 1.00 51.04 4304 0 PHE A 551 ^•10.915 66.290 43.985 1.00 52.49 4305 N VAL A 552 -8.937 65.413 43.415 1.00 51.04 4306 CA VAL A 552 -9.118 65.740 42.011 1.00 50.55 4307 CB VAL A 552 -7.933 66.594 41.484 1.00 51.24 4308 CGI VAL A 552 -8.116 66.901 40.005 1.00 50.99

4309 CG2 VAL A 552 -7.839 67.889 42.275 1.00 51.39

4310 C VAL A 552 -9.245 64.479 41.165 1.00 50.20

4311 O VAL A 552 ^■10.116 64.393 40.288 1.00 49.51 4312 N ALA A 553 -8.377 63.503 41.433 1.00 48.66 4313 CA ALA A 553 -8.386 62.250 40.678 1.00 48.45 4314 CB ALA A 553 ^■7.632 62.436 39.355 1.00 48.51 4315 C ALA A 553 ■7.774 61.100 41.471 1.00 46.63 4316 O ALA A 553 •7.237 61.310 42.554 1.00 47.65 4317 N GLY A 554 -7.869 59.885 40.929 1.00 45.58

4318 CA GLY A 554 -7.309 58.720 41.597 1.00 42.53

4319 C GLY A 554 -5.932 58.368 41.063 1.00 41.36

4320 O GLY A 554 -5.657 58.574 39.879 1.00 38.99 4321 N TYR A 555 -5.069 57.832 41.925 1.00 40.12 4322 CA TYR A 555 -3.711 57.473 41.525 1.00 39.90 4323 CB TYR A 555 -2.728 58.577 41.932 1.00 38.23 4324 CG TYR A 555 -3.088 59.962 41.438 1.00 38.16 4325 CDl TYR A 555 -3.636 60.916 42.301 1.00 38.36

4326 CEl TYR A 555 -3.951 62.207 41.852 1.00 39.28 4327 CD2 TYR A 555 -2..869 60..324 40..109 1..00 37..72

4328 CE2 TYR A 555 -3. .185 61. .604 39. .644 1, .00 39, .96

4329 CZ TYR A 555 -3. .723 62. .542 40, .520 1, .00 41, .30

4330 OH TYR A 555 -4. .012 63, .809 40, .062 1. .00 40, .58

4331 C TYR A 555 -3. .239 56, .161 42, .138 1. .00 41, .33

4332 0 TYR A 555 -2. .043 55, .937 42, .266 1, .00 42, .26

4333 N SER A 556 -4. .165 55, .296 42, .530 1. .00 42, .52

4334 CA SER A 556 -3. .783 54. .025 43, .125 1, .00 42, .96

4335 CB SER A 556 -5. .007 53, .148 43, .323 1, .00 45, .63

4336 OG SER A 556 -5. .914 53, .791 44, .192 1, .00 53, .07

4337 C SER A 556 -2. .769 53, .288 42, .268 1. .00 42, .60

4338 0 SER A 556 -2. .945 53, .141 41, .062 1, .00 41, .80

4339 N GLY A 557 -1. .713 52, .810 42, .911 1, .00 42, .21

4340 CA GLY A 557 -0. .670 52, .100 42, .193 1, .00 41, .83

4341 C GLY A 557 0. .017 52, .991 41, .173 1. .00 40, .26

4342 0 GLY A 557 0, .852 52, .525 40, .402 1. .00 40, .56

4343 N GLY A 558 -0, .325 54 , .274 41, .178 1. .00 36, .93

4344 CA GLY A 558 0. .251 55, .196 40, .221 1, .00 39, .44

4345 C GLY A 558 1. .560 55, .841 40, .633 1, .00 41, .43

4346 0 GLY A 558 2. .003 56, .790 39, .985 1. .00 39, .65

4347 N ASP A 559 2. .158 55, .345 41, .716 1. .00 42, .21

4348 CA ASP A 559 3, .429 55, .852 42 , .207 1, .00 43, .85

4349 CB ASP A 559 4. .529 55, .315 41, .301 1, .00 47, .04

4350 CG ASP A 559 5. .911 55, .638 41. .807 1, .00 49, .40

4351 ODl ASP A 559 6. .103 55, .653 43 , .042 1, .00 51, .80

4352 OD2 ASP A 559 6. .808 55, .857 40, .966 1, .00 50, .93

4353 C ASP A 559 3. .511 57, .384 42. .294 1. .00 45, .12

4354 0 ASP A 559 4. .507 57, .981 41. .888 1. .00 46, .88

4355 N ILE A 560 2. .476 58, .019 42, .839 1. .00 46, .43

4356 CA ILE A 560 2. .442 59. .481 42, .946 1. .00 48, .56

4357 CB ILE A 560 1. .102 60. .047 42. .396 1. .00 47, .04

4358 CG2 ILE A 560 1. .034 61. .556 42. .596 1. .00 46, .77

4359 CGI ILE A 560 0. .953 59. .685 40. .913 1. .00 47, .40

4360 CDl ILE A 560 2. .093 60. .164 40. .008 1. .00 44 , .47

4361 C ILE A 560 2. .671 60. .047 44. .354 1. .00 50, .15

4362 0 ILE A 560 2. .256 59. .471 45. .358 1. .00 48, .82

4363 N TYR A 561 3. .354 61. .185 44. .401 1. .00 53 , .55 4364 CA TYR A 561 3.654 61.871 45.649 1.00 56.61

4365 CB TYR A 561 5.128 61.705 46.020 1.00 57.18

4366 CG TYR A 561 5.490 62.412 47.304 1.00 59.18 4367 CDl TYR A 561 5.194 61.839 48.540 1.00 60.16

4368 CEl TYR A 561 5.459 62.509 49.732 1.00 60.98

4369 CD2 TYR A 561 6.071 63.687 47.289 1.00 59.59

4370 CE2 TYR A 561 6.339 64.370 48.477 1.00 60.00

4371 CZ TYR A 561 6.027 63.773 49.696 1.00 62.15 4372 OH TYR A 561 6.260 64.436 50.882 1.00 65.44 4373 C TYR A 561 3.361 63.352 45.474 1.00 58.84 4374 0 TYR A 561 3.819 63.971 44.515 1.00 59.72 4375 N HIS A 562 2.592 63.919 46.393 1.00 61.50

4376 CA HIS A 562 2.268 65.339 46.335 1.00 65.25

4377 CB HIS A 562 00., .774433 65, .542 46, .345 1, .00 65. .17

4378 CG HIS A 562 00., .007799 65, .238 45, .033 1, .00 65. .31

4379 CD2 HIS A 562 00., .559977 6644., .996633 43, .812 1, .00 64. .27

4380 NDl HIS A 562 ^■11., .229933 6655., .221177 44 , .878 1, .00 65. .88

4381 CEl HIS A 562 ^■11., .558899 6644., .994433 43 , .620 1, .00 65. .22 4382 NE2 HIS A 562 ^■00., .446600 64, .785 42, .952 1, .00 64. .89 4383 C HIS A 562 22., .991199 6666., .003344 47, .532 1, .00 67, .72 4384 0 HIS A 562 2 .994 65 .468 48, .626 1, .00 67, .81 4385 N SER A 563 3 .402 67, .255 47, .316 1, .00 71, .08 4386 CA SER A 563 4 .067 68 .024 48 .369 1, .00 73, .81 4387 CB SER A 563 5 .428 68, .521 47 .871 1, .00 74 , .39 4388 OG SER A 563 6 .257 67 .431 47, .495 1, .00 75, .46 4389 C SER A 563 3. .238 69 .209 48, .871 1, .00 74 , .69 4390 O SER A 563 3 .353 69 .541 50, .074 1, .00 75, .01

4391 OXT SER A 563 2 .499 69 .804 48, .057 1, .00 75. .14 4392 O HOH 2 8. .475 53 .329 41, .506 1, .00 25. .14

4393 O HOH W 3 8 .055 51 .310 56 .739 11,. .0000 5500.. .7788

4394 O HOH W 4 -19.169 51.601 61.769 1.00 26.70

4395 O HOH W 5 4.774 45.366 30.038 1.00 35.76

4396 O HOH W 6 12.205 46.959 29.399 1.00 32.91

4397 O HOH 7 -3.427 54.679 39.131 1.00 48.71

4398 O HOH W 8 -3.731 52.229 27.018 1.00 35.44

4399 O HOH W 9 -11.734 50.513 27.777 1.00 29.73

4400 O HOH W 10 3.912 44.392 25.453 1.00 29.37 4401 0 HOH W 11 -2.552 48..355 32,.016 1..00 34.06

4402 0 HOH W 12 -5 .873 52, .520 59, .902 1, .00 34 .55

4403 0 HOH W 13 -15 .505 59. .299 46, .162 1, .00 40 .51

4404 0 HOH W 15 -18 .869 50. .131 73, .179 1, .00 72 .39

4405 0 HOH W 16 -13 .571 45, .000 33, .055 1. .00 25. .11

4406 0 HOH W 17 -13 .996 65, .965 68, .598 1. .00 77, .05

4407 0 HOH W 18 -8 .939 57, .845 38, .178 1, .00 31, .86

4408 0 HOH W 19 -4 .845 56, .891 36, .645 1. .00 39, .41

4409 0 HOH W 20 -16 .185 46, .249 73, .512 1, .00 70, .81

4410 0 HOH W 21 -16 .889 60, .668 56, .622 1. .00 63, .74

4411 0 HOH W 23 -34 .936 51, .348 36, .778 1, .00 41, .28

4412 0 HOH W 24 9 .723 46, .844 37, .469 1. .00 35, .51

4413 0 HOH W 26 -3 .085 50, .953 31, .725 1, .00 43. .62

4414 0 HOH W 27 -24 .547 51, .895 59, .541 1. .00 34. .47

4415 0 HOH W 28 8, .310 33. .010 28, .312 1, .00 33. .04

4416 0 HOH W 30 -13 .886 46, .976 57, .945 1, .00 39, .58

4417 0 HOH W 32 -6 .294 59, .002 37, .516 1. .00 30, .29

4418 0 HOH W 33 -8, .142 57, .229 50. .176 1, .00 47, .56

4419 0 HOH W 35 -19 .761 56. .820 63. .011 1, .00 33, .32

4420 0 HOH W 36 -4 .316 40. .445 42. .520 1. .00 48, .21

4421 0 HOH W 37 -24, .660 53 , .999 51, .743 1. .00 33, .33

4422 0 HOH 38 -2, .915 41. .479 49. .442 1, .00 45, .37

4423 0 HOH W 39 11, .668 47, .430 26. .604 1. .00 38, .20

4424 0 HOH W 40 -22, .087 54. .005 49. .747 1. .00 34. .55

4425 0 HOH w 42 -13, .457 64. .495 64. .146 1. .00 70. .64

4426 0 HOH w 45 11, .072 30. .140 41. .675 1. .00 38. .00

4427 0 HOH 46 -7, .340 40. .938 25. .100 1. .00 39. .29

4428 0 HOH w 48 -2, .034 35. .890 28. .671 1. .00 50, .91

4429 0 HOH w 49 -19, .970 60. .688 28. .430 1. .00 54. .69

4430 0 HOH w 50 -19, .555 55. .558 49. .829 1. .00 30. .74

4431 0 HOH 52 -4. .383 52. .614 29. .672 1. .00 42. .06

4432 0 HOH w 53 -23. .871 46. .833 48. .781 1. .00 43. .18

4433 0 HOH w 54 -9. .061 42. .367 23. .516 1. .00 78. .61

4434 0 HOH w 57 -21. .829 65. .858 35. .102 1. .00 45. .59

4435 0 HOH w 58 6. .657 34. .664 30. .227 1. .00 35. .64

4436 0 HOH w 59 -24. .755 58. .390 35. .194 1. ,00 50. .95

4437 0 HOH w 60 -30. .258 59. .312 64. .536 1. .00 49. .78 4438 O HOH W 61 4.658 30..093 29,.897 1..00 40.10

4439 0 HOH W 62 -2. .621 30. .689 31. ,336 1. .00 43. .09

4440 0 HOH 64 -18, .416 49. .048 55. .184 1. .00 36. .05

4441 0 HOH W 65 -22, .261 71. .427 65. .446 1. .00 50. .48

4442 0 HOH W 66 8, .544 38, .674 43, .071 1. .00 44. .63

4443 0 HOH W 67 0, .034 29. .188 32. .082 1. .00 32 .83

4444 0 HOH W 68 11, .826 50. .626 40. ,036 1, .00 46 .06

4445 0 HOH W 70 -18. .161 47. .658 72. .340 1. .00 33 , .40

4446 0 HOH W 72 -19. .812 49. .974 44. .846 1. .00 41, .89

4447 0 HOH 74 -16. .508 67, ,570 81, .923 1, .00 67 .53

4448 0 HOH W 75 12. .411 50. .821 28. ,507 1. .00 31. .33

4449 0 HOH W 76 -18 .516 54, .695 43, .792 1 .00 48 .92

4450 0 HOH W 78 -1 .662 46, .727 39, .060 1 .00 37 .68

4451 0 HOH 81 3. .379 52. .862 39. .141 1. .00 44. .56

4452 0 HOH W 83 -31 .567 40, .785 40. .565 1. .00 39 .56

4453 0 HOH W 85 3. .877 31. .636 43, .266 1. .00 46, .33

4454 0 HOH W 87 -4 , .518 42. .883 21. .546 1. .00 54. .93

4455 0 HOH 88 -23. .734 37. .467 29. .177 1, .00 42. .96

4456 0 HOH V-J 89 -24 .744 5 .192 62 .410 1 .00 42 .78

4457 0 HOH W 91 -1 .622 29. .106 38. .816 1. .00 52. .05

4458 0 HOH W 92 3 .774 57. .114 37. .862 1. .00 27. .73

4459 0 HOH W 94 -7 .038 57. .374 52. .514 1 .00 49 .21

4460 0 HOH W 97 -8. .730 50. .824 18. .794 1. .00 49. .69

4461 0 HOH w 102 -10. .709 30, .305 31. .709 1, .00 51. .67

4462 0 HOH 105 6. .200 39, .153 46. .529 1, .00 44. .98

4463 0 HOH w 106 5. .478 67, .998 38, .955 1. .00 38. .41

4464 0 HOH w 110 -6 .456 64. .150 43, .904 1, .00 39 .71

4465 0 HOH 111 -12 .259 53 .093 53 .646 1 .00 50 .59

4466 0 HOH w 115 -19, .202 66. .357 59. .890 1. .00 57. .12

4467 0 HOH 116 9, .133 51. .251 15. .554 1. .00 38. .76

4468 0 HOH 118 -11 .824 53, .053 19, .798 1. .00 41 .60

4469 0 HOH 119 -9. .799 49. .044 52. ,788 1. .00 47. .49

4470 0 HOH w 121 -2. .311 46, .701 55, .685 1. .00 39 .85

4471 0 HOH w 129 -44 .452 43, .889 44, .218 1 .00 55 .76

4472 o HOH w 130 -9. .681 37. .892 55. .516 1. .00 64. .92

4473 0 HOH w 131 8. .033 57. .636 39. .402 1. .00 39. .84

4474 0 HOH w 133 -16 .569 66. .843 38. .080 1 , .00 46, .31 4475 0 HOH W 134 -25,.630 47,.387 63..150 1,.00 37..97

4476 0 HOH W 140 1. .859 64. .478 31. .950 1. .00 62. .48

4477 0 HOH 142 -27, .268 50. .726 59. .277 1. .00 22. .22

4478 0 HOH 144 -13, .074 46. .579 24. .080 1. .00 29. .64

4479 0 HOH 147 4. .134 54. .528 37. .090 1. .00 36. .17

4480 0 HOH W 148 3. .595 29. .710 40. .705 1. .00 54. .62

4481 0 HOH 149 -0, .875 49. .747 45. .065 1. .00 47. .96

4482 0 HOH W 150 15. .239 37. .363 47. .896 1. .00 56. .36

4483 0 HOH W 151 -34, .325 43 , .637 47. .148 1, .00 67, .18

4484 0 HOH W 152 -4 .290 71. .679 47 .461 1 .00 60, .68

4485 0 HOH W 153 -4 , .739 40. .988 38. .155 1. .00 38. .16

4486 0 HOH W 158 -23. .202 36. .632 34 , .412 1. .00 53. .97

4487 0 HOH W 161 -32. .482 59. .345 52 .743 1 .00 59. .16

4488 0 HOH 164 4 , .368 32. ,702 30. ,640 1. .00 31. .18

4489 0 HOH 167 -15. .709 45, .734 41, .624 1, .00 58. .44

4490 0 HOH W 169 -13. .653 48, .374 27, .092 1, .00 35. .89

4491 0 HOH W 170 -18. .285 65. .230 55. .887 1. .00 54. .14

4492 0 HOH 171 -6 .377 46 ,983 41 .370 1. .00 41. .93

4493 0 HOH W 172 2 .851 42 .219 24 .564 1 .00 41 .52

4494 0 HOH 173 17 .329 51, ,225 30, .284 1. .00 52. .67

4495 0 HOH 175 -22 .912 42 .194 23, .458 1. .00 53. .27

4496 0 HOH W 177 2 .038 50 .261 45 .244 1 .00 62 .98

4497 0 HOH W 178 25. .206 64 , ,019 40, .025 1. .00 43. .69

4498 0 HOH W 179 4 .215 54, .307 45, .645 1, .00 42, .67

4499 0 HOH w 181 2 .738 68 .711 63, .300 1 .00 66. .37

4500 0 HOH w 182 -16, .169 69, .376 52. .074 1. .00 64. .15

4501 0 HOH w 183 1 .287 44 .502 56, .280 1 .00 58. .89

4502 0 HOH w 186 -3 .702 48 .942 42 .266 1 .00 57 .35

4503 0 HOH w 190 -5 .321 55, .040 49, .557 1, .00 41, .45

4504 0 HOH 193 14 .263 49 .168 23, .036 1. .00 34, .80

4505 0 HOH w 194 -20 .656 71 .770 58 .901 1 .00 65 .13

4506 0 HOH 196 -3, .789 34 , .508 53. .045 1. .00 64. .98

4507 0 HOH w 198 -26 .981 52, .936 23 , .274 1 , .00 55, .93

4508 0 HOH w 201 12 .158 52 .928 26, .986 1 .00 62, .84

4509 0 HOH w 202 -26, .784 63 , .429 39. .108 1. .00 52. .10

4510 0 HOH w 204 1 .611 53 .668 44 , .281 1. .00 46. .09

4511 0 HOH w 205 12 .283 47 .839 39 .207 1 .00 49 .66 4512 0 HOH W 211 -7..492 30..629 24..897 1..00 49..71

4513 0 HOH W 212 -22. .701 43 .168 42. .954 1 , .00 35. .35

4514 0 HOH W 213 13. .152 51, .985 33. .548 1. .00 77. .08

4515 0 HOH W 217 7. .989 41 .895 49. .552 1. .00 67, .40

4516 0 HOH 220 -33. .210 61 .458 63. .477 1, .00 72 .05

4517 0 HOH W 221 -24. .282 47, .182 56. .125 1, .00 39, .84

4518 0 HOH W 222 8. .794 35 .465 55, .350 1 .00 67 .19

4519 0 HOH W 223 -24. .632 66, ,689 38, .410 1, .00 57, .71

4520 0 HOH W 226 -4. .691 43, .282 39, .796 1, .00 33 .40

4521 0 HOH 229 -1, .268 35 .288 56 .161 1, .00 76 .51

4522 0 HOH W 232 3 , .312 70, .355 26, .503 1. .00 41, .85

4523 0 HOH W 233 5, .124 31 .276 36, .890 1, .00 29, .04

4524 0 HOH W 235 -8 .677 57 .922 18, .768 1, .00 59 .71

4525 0 HOH W 238 -18, .190 47, .990 43, .027 1, .00 40, .34

4526 0 HOH W 240 -22, .314 44 .418 45, .593 1, .00 41, .57

4527 0 HOH W 242 9, .906 44, .284 18, .964 1 , .00 49, .44

4528 0 HOH W 245 -26, .858 66 .775 51, .332 1, .00 56, .53

4529 0 HOH w 246 -34 .759 38 .939 38 .847 1 .00 70 .67

4530 0 HOH w 247 -13, .516 37, .261 68. .211 1 , .00 65, .07

4531 0 HOH w 249 -10, .715 41 .370 56. .953 1, .00 66, .29

4532 0 HOH w 253 3 .463 45 .280 49 .961 1 .00 48 .91

4533 0 HOH w 256 -10, .531 51, .880 55. .451 1, .00 43, .23

4534 0 HOH w 257 -5, .793 55 .146 19 .140 1, .00 59, .66

4535 0 HOH 260 -3 , .945 66, .293 41, .929 1, .00 67, .41

4536 0 HOH w 264 23, .449 66, .223 40, .152 1. .00 66, .23

4537 0 HOH 266 -18, .374 43 .125 63. .270 1, .00 51. .88

4538 0 HOH w 269 13. .662 67, .853 30. .435 1. .00 67. .60

4539 0 HOH w 273 -36. .056 57, .309 50. .424 1. .00 41, .24

4540 0 HOH w 277 3, .830 62 .055 64. .192 1. .00 66, .91

4541 0 HOH w 282 15, .723 53. .053 21. .105 1. .00 51. .52

4542 0 HOH w 285 -22, .796 48, .987 73. .449 1. .00 45. .18

4543 0 HOH w 290 -39. .747 55, .053 40. .135 1. .00 48. .58

4544 0 HOH w 291 4 , .216 54 , .631 65. .151 1. .00 49. .32

4545 0 HOH w 298 -25, .676 44 , .885 45, .235 1. .00 43. .97

4546 0 HOH w 299 -5. .749 29. .333 36. .778 1. .00 53. .28

4547 0 HOH w 303 -19. .554 70, .995 47. .468 1. .00 55. .62

4548 0 HOH w 304 -3. .000 49. .385 53. .822 1. .00 56. .63 4549 0 HOH W 310 15.,020 62..315 26..776 1..00 61..83

4550 0 HOH W 316 -31. 578 31. ,553 37. ,692 1. ,00 41. .15

4551 0 HOH W 334 0. ,587 33. .649 55. .210 1. .00 62. .10

4552 0 HOH W 338 10. ,559 42. ,212 26. .548 1. .00 37, .36

4553 0 HOH W 339 4. 790 71. .226 65. .041 1. ,00 62. .96

4554 0 HOH w 343 -27. .906 58. .326 32. .259 1. .00 68. .80

4555 0 HOH w 346 3. .160 69. .254 38. .729 1. .00 54 , .69

4556 0 HOH w 350 3. .445 29. .421 46. ,056 1. .00 50. .21

4557 0 HOH w 354 -20. ,458 46. .490 74. .354 1. .00 48, .42

4558 0 HOH 355 13. .959 62, .202 49, .391 1. .00 47, .09

4559 0 HOH w 360 -7. .874 49. .718 43. .808 1. .00 45. .36

4560 0 HOH w 363 -16. .649 60, .664 19, .070 1. .00 44 , .67

4561 0 HOH w 370 -1. .712 42, .853 36, .812 1, .00 54. .29

4562 0 HOH w 371 -15. .378 46. .831 43. .997 1. .00 49. .86

4563 0 HOH w 373 -30. .963 49, .725 20, .820 1, .00 54. .79

4564 0 HOH w 377 16. .189 56, .402 47, .298 1. .00 53, .74

4565 0 HOH w 383 -21. .314 40. .860 68. .998 1. .00 53. .38

4566 0 HOH 386 -10. .950 46. .347 52. .947 1, .00 42, .62

4567 0 HOH 388 -14, .495 38 .315 31 .060 1 .00 51 .85

4568 0 HOH w 389 -18. .455 62. .247 55. .158 1, .00 38. .32

4569 0 HOH w 393 -19, .227 45 .791 45 .288 1 .00 63 , .99

4570 0 HOH w 394 -27, .479 39 .647 38 .455 1 .00 45 .98

4571 0 HOH w 395 -8. .932 44. .553 40. .117 1, .00 30, .79

4572 0 HOH w 399 -31, .754 54 .008 54 .754 1 .00 54 , .26

4573 0 HOH w 401 -42, .356 52 .156 35 .617 1 .00 64 , .37

4574 0 HOH w 402 -13. .677 48. .786 19, .595 1 , .00 49. .90

4575 0 HOH w 408 -5. .837 36 .105 73 .449 1 .00 64. .34

4576 0 HOH w 409 -1, .033 48 .501 57 .537 1 .00 48. .03

4577 0 HOH w 413 -26. .807 66, .407 42, .874 1, .00 55. .58

4578 0 HOH w 414 -24, .811 57 .817 32 .114 1 .00 51, .50

4579 0 HOH w 416 6, .207 25 .489 40 .485 1 .00 61, .48

4580 0 HOH w 418 -35, .900 48, .959 36, .019 1. .00 38. .33

4581 0 HOH w 421 17, .623 55 .054 23 .573 1 .00 60, .06

4582 0 HOH w 427 -7, .957 40 .127 42 .724 1 .00 59, .42

4583 0 HOH w 428 -27, .085 37, .081 37, .677 1. .00 52. .82

4584 0 HOH 429 -26 .571 53 .496 58 .903 1 .00 24 , .63

4585 0 HOH w 432 -20, .625 50 .320 54 .806 1 .00 51. .47 4586 0 HOH 433 2..424 56,.200 65,.633 1..00 52,.75

4587 0 HOH W 437 -22. .806 56, .440 72. .882 1. .00 49, .93

4588 0 HOH W 442 4. .839 66, .629 44 , .177 1. .00 40, .67

4589 0 HOH 449 14. .044 51, .154 30, .792 1. .00 48, .27

4590 0 HOH 451 13. .564 48, .202 43, .502 1, .00 72, .13

4591 0 HOH 452 -2. .050 42, .356 39, .511 1, .00 49, .77

4592 0 HOH W 454 14. .936 48, .496 27, .618 1. .00 55, .88

4593 0 HOH W 455 -31. .824 58, .192 60, .906 1, .00 58, .15

4594 0 HOH W 463 0, .690 66, .559 25, .379 1. .00 47, .97

4595 0 HOH W 464 12. .500 44 , .459 41, .142 1, .00 42 , .80

4596 0 HOH W 465 -25. .233 66, .922 40, .845 1. .00 69, .07

4597 0 HOH 488 10. .341 26, .668 39, .021 1. .00 49, .69

4598 0 HOH W 495 -24. .422 49, .567 55, .441 1. .00 42. .21

4599 0 HOH 498 -25. .741 49 .534 60, .338 1. .00 26, .31

4600 0 HOH W 499 -20. .505 66, .578 57, .808 1. .00 42, .67

4601 0 HOH w 502 -32, ,808 63, .841 67, .628 1 .00 51, .71

4602 0 HOH w 509 2, .965 30, .219 27, .199 1. .00 55, .35

4603 0 HOH w 510 6, .993 28 .407 30, .202 1. .00 61, .69

4604 0 HOH 511 9 .707 27 .458 41, .376 1, .00 58, .37

4605 0 HOH w 523 -2 .332 42 .073 70, .680 1, .00 69. .08

4606 O HOH 526 -18, .162 71 .990 53, .182 1, .00 59, .83

4607 O HOH w 527 -32, .023 58 .232 55, .190 1, .00 42, .61

4608 O HOH w 532 -21, .315 51, .374 73, .666 1. .00 59, .65

4609 0 HOH 533 10, .848 49, .239 48, .237 1, .00 53. .01

4610 0 HOH w 534 3, .309 26, .824 31, .476 1, .00 55. .64

4611 0 HOH w 535 13, .904 46. .752 41, .264 1, .00 50. .88

4612 0 HOH 536 8, .368 35. .108 52, .705 1, .00 47. .17

4613 0 HOH 537 -0, .576 34. .868 53 , .082 1, .00 55, .82

4614 0 HOH w 538 14, .536 54, .267 46, .221 1, .00 62. .86

4615 0 HOH w 539 15, .043 51, .764 27. .757 1, .00 46. .58

4616 0 HOH w 540 10, .954 48, .400 33. .283 1, .00 63. .61

4617 0 HOH w 541 1, .284 46, .942 57. .330 1, .00 55. .93

4618 0 HOH w 542 -28, .997 40, .339 40. .381 1, .00 58. .00

4619 0 HOH w 543 -25, .158 46, .673 72. .536 1. .00 46. .12

4620 OC2 INH A 600 -7, .972 51, .779 51. .479 1, .00 96. .90

4621 CC INH A 600 -8, .984 52, .598 51. .069 1. .00 97. .35

4622 OCl INH A 600 -9. .655 52, .397 50. .101 1. .00 97. .53 4623 CC2 INH A 600 -9.207 53.760 51.931 1.00 97.12

4624 CC3 INH A 600 -8.441 53.780 53.119 1.00 96.84

4625 CC4 INH A 600 -8.570 54.831 54.023 1.00 97.44

4626 CC5 INH A 600 -9.450 55.888 53.734 1.00 97.76

4627 CC6 INH A 600 -10.200 55.890 52.540 1.00 97.16

4628 CC1 INH A 600 ^•10.140 54.816 51.620 1.00 96.68 4629 NBC INH A 600 10.961 54.729 50.480 1.00 95.73

4630 CBl INH A 600 ^■12.013 55.504 49.941 1.00 94.23

4631 CB6 INH A 600 ^■13.027 56.173 50.677 1.00 93.12

4632 CB5 INH A 600 ^■14.032 56.920 50.039 1.00 92.57

4633 CB4 INH A 600 ^■14.083 56.992 48.644 1.00 92.22

4634 CB3 INH A 600 ^■13.113 56.316 47.892 1.00 92.95

4635 CB2 INH A 600 12.079 55.586 48.525 1.00 93.40

4636 NAB INH A 600 ^■11.014 54.961 47.814 1.00 92.74

4637 CA1 INH A 600 ^■10.850 54.263 46.575 1.00 93.21

4638 CA6 INH A 600 •11.927 53.699 45.862 1.00 93.40

4639 CA5 INH A 600 ^•11.697 52.944 44.690 1.00 93.97

4640 CA4 INH A 600 ^■10.393 52.740 44.213 1.00 93.25

4641 CA3 INH A 600 -9.312 53.309 44.903 1.00 93.09

4642 CA2 INH A 600 -9.524 54.076 46.074 1.00 92.93

4643 OA1 INH A 600 -8.468 55.611 47.461 1.00 92.34

4644 CA INH A 600 -8.358 54.669 46.747 1.00 92.13

4645 OA2 INH A 600 -7.166 54.087 46.525 1.00 91.02 4646 Cl GOL C 601 12.116 64.802 27.350 1.00 79.09

4647 01 GOL C 601 13.358 64.624 28.013 1.00 80.16

4648 C2 GOL C 601 11.225 65.818 28.098 1.00 77.84

4649 02 GOL C 601 11.936 67.037 28.245 1.00 77.00

4650 C3 GOL C 601 9.906 66.061 27.344 1.00 76.61

4651 03 GOL C 601 9.004 66.703 28.223 1.00 75.81

4652 CL-1 CLl B 701 -30.173 52.297 62.855 1.00 55.76 TABLE 3: Structure Coordinates of Hepatitis C Virus Polymerase/ PHA-729145 Complex 1 CB MET A 0 -10.608 32. .916 23. .058 1. .00 73 , .07 2 CG MET A 0 -12.092 32. .572 22. .907 1. .00 76, .71 3 SD MET A 0 -12.781 31. .687 24 , .347 1. .00 83, .09 4 CE MET A 0 -12.320 29. .956 23 , .963 1. .00 78, .67 5 C MET A 0 -8.828 34, .133 24 , .357 1. .00 66, .59 6 0 MET A 0 -8.047 33. .260 23. .963 1. .00 66. .58 7 N MET A 0 -10.740 35. .381 23. .310 1. .00 68. .94 8 CA MET A 0 -10.317 34. .109 23. .978 1. .00 69. .20 9 N SER A 1 -8.449 35. .135 25. .139 1. .00 61. .80 10 CA SER A 1 -7.071 35, .286 25. .565 1. .00 56. .88 11 CB SER A 1 -6.555 36, .669 25. .187 1. .00 59. .19 12 OG SER A 1 -7.168 37, .662 25. .995 1. .00 59. .51 13 C SER A 1 -6.956 35, .135 27. .065 1. .00 53. .06 14 0 SER A 1 -7.697 35, .768 27, .812 1. .00 51, .27 15 N MET A 2 -6.027 34, .297 27, .498 1. .00 48, .55 16 CA MET A 2 -5.798 34, .104 28, .917 1. .00 45. .47 17 CB MET A 2 -4.710 33, .057 29, .139 1. .00 45, .10 18 CG MET A 2 -5.146 31, .644 28, .819 1, .00 43, .40 19 SD MET A 2 -6.645 31, .190 29, .733 1 , .00 50, .52 20 CE MET A 2 -6.064 31, .173 31, .401 1, .00 39, .18 21 C MET A 2 -5.331 35, .435 29, .468 1. .00 43, .70 22 0 MET A 2 -4.720 36, .213 28, .750 1 , .00 45, .49 23 N SER A 3 -5.632 35, .711 30, .728 1, .00 41. .13 24 CA SER A 3 -5.198 36, .964 31, .336 1. .00 39. .93 25 CB SER A 3 -6.053 37, .284 32, .571 1. .00 36. .35 26 OG SER A 3 -6.063 36, .219 33, .506 1. .00 36. .38 27 C SER A 3 -3.698 36, .883 31, .709 1. .00 39, .95 28 0 SER A 3 -3.008 37, .897 31, .760 1. .00 42, .82 29 N TYR A 4 -3.212 35, .672 31, .966 1, .00 36, .89 30 CA TYR A 4 -1.811 35, .435 32, .293 1. .00 37, .56 31 CB TYR A 4 -1.531 35, .456 33, .812 1. .00 36, .41 32 CG TYR A 4 -1.752 36, .762 34 , .542 1. .00 36, .44 33 CDl TYR A 4 -2.877 36. .948 35. .344 1. .00 34. .46 34 CEl TYR A 4 -3.081 38. .136 36. .030 1. ,00 35. .03 CD2 TYR A 4 -0..834 37..806 34..444 1..00 36,.18 CE2 TYR A 4 -1. .029 39, .006 35. .127 1. .00 34, .56 CZ TYR A 4 -2. .156 39, .162 35. .920 1. ,00 34 , .98 OH TYR A 4 -2. .356 40, .333 36. .606 1. .00 34. .27

C TYR A 4 -1. .441 34, .040 31. .824 1. .00 37. .97 O TYR A 4 -2. .314 33, .205 31. .584 1. .00 38. .27

N THR A 5 -0. .136 33, .817 31. .684 1. .00 39. .10 CA THR A 5 0. .439 32. .505 31. .376 1. .00 39. .49 CB THR A 5 1, .053 32 .384 29. .942 1, .00 39. .48 OGl THR A 5 1, .859 33 .534 29. .637 1 , .00 40 .06 CG2 THR A 5 -0. .058 32. .224 28, .915 1. .00 40. .16 C THR A 5 1, .540 32. .439 32, .431 1 , .00 39. .88 0 THR A 5 2. .113 33 .468 32, .796 1, .00 40. .18 N TRP A 6 1. .826 31, .252 32. .941 1. .00 39. .56 CA TRP A 6 2. .837 31, .136 33, .964 1. .00 38. .81 CB TRP A 6 2. .169 30, .778 35, .282 1. .00 38, .85 CG TRP A 6 1. .106 31, .762 35. .696 1. .00 39. .29 CD2 TRP A 6 1, .312 33 .030 36, .330 1, .00 37. .68 CE2 TRP A 6 0. .041 33 .616 36 .509 1. .00 37 .41 CE3 TRP A 6 2. .448 33 .730 36, .761 1. .00 38. .89 CDl TRP A 6 -0. .247 31 .638 35, .521 1. .00 38, .02 NEl TRP A 6 -0, .889 32 .747 36, .005 1. .00 36, .14 CZ2 TRP A 6 -0. .126 34 , .871 37. .105 1. .00 38, .15 CZ3 TRP A 6 2. .283 34 , .975 37. .350 1. .00 38, .65 CH2 TRP A 6 1 , .004 35, .533 37. .517 1, .00 39, .10 C TRP A 6 3. .921 30, .124 33. .616 1. .00 41. .93 0 TRP A 6 3. .643 29 .069 33. .059 1 , .00 42. .34 N THR A 7 5, .164 30 .448 33 .957 1. .00 41, .57 CA THR A 7 6. .287 29, .568 33. .655 1. .00 41, .32 CB THR A 7 7. .612 30, .363 33. .585 1. .00 41, .53 OGl THR A 7 7. .889 30, .952 34 , .866 1. .00 38, .13 CG2 THR A 7 7. .518 31. .462 32. .523 1. .00 38, .40 C THR A 7 6. .445 28. .472 34. .693 1. .00 41, .96 O THR A 7 7. .023 27, .423 34. .417 1. .00 43 , .24 N GLY A 8 5. .929 28. .717 35. .889 1. ,00 41. .39 CA GLY A 8 6. .051 27, .735 36. .947 1. .00 41, .06 C GLY A 8 6. .957 28, .262 38. .042 1. .00 41, .31 72 0 GLY A 8 7..040 27..698 39..136 1..00 42..06 73 N ALA A 9 7. ,656 29. .348 37. ,749 1. ,00 38. .69 74 CA ALA A 9 8. ,531 29. , 931 38. .742 1. .00 38. .78 75 CB ALA A 9 9. .451 30. .939 38. .102 1. .00 38. .88 76 C ALA A 9 7. ,663 30. ,610 39. ,787 1. ,00 39. .48 77 0 ALA A 9 6. ,675 31. .255 39. .467 1. .00 42. .22 78 N LEU A 10 8. .050 30. .464 41, .039 1, .00 39. .16 79 CA LEU A 10 7. ,335 31. ,046 42. .149 1. .00 39. .44 80 CB LEU A 10 7, .870 30, .454 43, .448 1, .00 39. .83 81 CG LEU A 10 7, .943 28 .926 43 .459 1 .00 42. .03 82 CDl LEU A 10 8. .758 28. .429 44 , .647 1, .00 43. .85 83 CD2 LEU A 10 6, .542 28. .369 43, .497 1, .00 43. .53 84 C LEU A 10 7 .479 32 .558 42 .208 1 .00 40. .98 85 0 LEU A 10 8. .436 33. .134 41. .683 1. .00 43. .97 86 N ILE A 11 6, .506 33. .197 42. .844 1, .00 40. .17 87 CA ILE A 11 6 .530 34 .632 43 .046 1 .00 40. .25 88 CB ILE A 11 5. .098 35, .205 43 , .155 1 , .00 38. .48 89 CG2 ILE A 11 5, .126 36, .645 43 .669 1, .00 33. .97 90 CGI ILE A 11 4 .422 35 .099 41 .779 1 .00 39. .08 91 CDl ILE A 11 3 , .058 35, .748 41. .676 1 , .00 38. .59 92 C ILE A 11 7, .276 34, .714 44. .370 1, .00 42, .00 93 0 ILE A 11 6 .856 34 .138 45 .382 1 .00 43 .38 94 N THR A 12 8, .401 35, .413 44 , .357 1, .00 42. .36 95 CA THR A 12 9, .236 35, .493 45. .537 1, .00 41, .98 96 CB THR A 12 10 .667 35 .084 45 .175 1 .00 42, .06 97 OGl THR A 12 11, .175 35, .987 44. .180 1, .00 42. .67 98 CG2 THR A 12 10, .685 33, .659 44 , .602 1, .00 38. .65 99 C THR A 12 9 .278 36 .856 46 .180 1 .00 42, .73

100 0 THR A 12 8, .982 37, .863 45. .554 1. .00 43. .28

101 N PRO A 13 9, .628 36, .900 47. .465 1, .00 43 , .86

102 CD PRO A 13 9 .627 35 .787 48 .429 1 .00 41. .48

103 CA PRO A 13 9, .706 38. .181 48. .159 1, .00 46. .45

104 CB PRO A 13 9, .266 37. .820 49, .561 1, .00 44. .43

105 CG PRO A 13 9.903 36.491 49.734 1.00 41.95

106 C PRO A 13 11.159 38.634 48.121 1.00 50.36

107 O PRO A 13 12.039 37.869 47.716 1.00 50.09

108 N CYS A 14 11.404 39.871 48.529 1.00 54.31 109 CA CYS A 14 12.759 40.401 48.570 1.00 59.52

110 CB CYS A 14 12.832 41.746 47.844 1.00 61.91

111 SG CYS A 14 11.481 42.851 48.268 1. .00 68. .98

112 C CYS A 14 13.106 40.569 50.040 1. .00 60, .86

113 O CYS A 14 14.073 39.989 50.533 1. .00 62. .80

114 N ALA A 15 12.293 41.350 50.742 1. .00 61. .42

115 CA ALA A 15 12.495 41.582 52.166 1, .00 62, .50

116 CB ALA A 15 11.820 42.889 52.578 1, .00 61. .93

117 C ALA A 15 11.922 40.407 52.974 1. .00 62. .56

118 O ALA A 15 11.495 39.399 52.409 1. .00 62. .07

119 N ALA A 16 11.930 40.533 54.298 1, .00 62. .22

120 CA ALA A 16 11.397 39.483 55.164 1. .00 60. .70

121 CB ALA A 16 12.079 39.530 56.525 1, .00 61. .98

122 C ALA A 16 9.901 39.726 55.315 1, .00 58, .84

123 O ALA A 16 9.459 40.873 55.377 1. .00 59. .11

124 N GLU A 17 9.119 38.657 55.379 1. .00 56. .96

125 CA GLU A 17 7.674 38.818 55.503 1, .00 54 , .95

126 CB GLU A 17 6.978 38.110 54.338 1. .00 52. .03

127 CG GLU A 17 7.334 38.692 52.964 1. .00 46. .71

128 CD GLU A 17 6.779 37.859 51.827 1.00 46.46

129 OEl GLU A 17 6.915 36.616 51.890 1.00 44.82

130 OE2 GLU A 17 6.215 38.434 50.872 1.00 45.70

131 C GLU A 17 7.096 38.348 56.834 1.00 55.15

132 O GLU A 17 7.151 37.167 57.172 1.00 52.31

133 N GLU A 18 6.540 39.300 57.581 1.00 57.40

134 CA GLU A 18 5.929 39.033 58.883 1.00 60.85

135 CB GLU A 18 5.923 40.304 59.742 1.00 63.62

136 CG GLU A 18 7.288 40.882 60.061 1.00 67.09

137 CD GLU A 18 8.135 39.931 60.884 1.00 70.07

138 OEl GLU A 18 7.602 39.395 61.881 1.00 71.89

139 OE2 GLU A 18 9.327 39.727 60.542 1.00 71.48

140 C GLU A 18 4.489 38.555 58.714 1.00 61.25

141 O GLU A 18 3.643 39.294 58.222 1.00 62.76

142 N SER A 19 4.211 37.326 59.134 1.00 62.25

143 CA SER A 19 2.872 36.763 59.030 1.00 61.98 144 CB SER A 19 2.963 35.244 58.907 1.00 63.21 145 OG SER A 19 1.704 34.643 59.150 1.00 65.51 146 C SER A 19 1..987 37..118 60..223 1..00 62..71

147 0 SER A 19 0. .837 37. .538 60. .055 1. .00 62. .10

148 N LYS A 20 2, .528 36, .944 61. .428 1. .00 63. .43

149 CA LYS A 20 1. .785 37, .224 62. .651 1. .00 63, .70

150 CB LYS A 20 2. .053 36, .144 63. .697 1. .00 63. .75

151 CG LYS A 20 1. .753 34, .722 63. .247 1. .00 66. .38

152 CD LYS A 20 1. .786 33. .764 64. .439 1. .00 68. .44

153 CE LYS A 20 1. .334 32. .353 64. .064 1. .00 70. .10

154 NZ LYS A 20 1. .015 31, .532 65. .281 1. .00 70. .91

155 C LYS A 20 2. .112 38, .569 63. .271 1. .00 63 , .75

156 0 LYS A 20 3. .010 39, .285 62. .831 1. .00 64. .71

157 N LEU A 21 1. .367 38, .893 64. .317 1. .00 64. .99

158 CA LEU A 21 1. .543 40, .128 65. .057 1. .00 66. .23

159 CB LEU A 21 0. .233 40, .453 65. .767 1. .00 63, .98

160 CG LEU A 21 -0, .036 41 .894 66. .175 1, .00 62, .82

161 CDl LEU A 21 0, .280 42 .818 65. .022 1, .00 62 .57

162 CD2 LEU A 21 -1, .492 42 .021 66. .590 1, .00 61, .69

163 C LEU A 21 2, .674 39 .864 66. .064 1. .00 67, .70

164 0 LEU A 21 2, .822 38 .744 66. .558 1, .00 68, .06

165 N PRO A 22 3, .490 40 .887 66, .375 1, .00 69, .65

166 CD PRO A 22 3, .397 42 .260 65, .855 1, .00 70, .55

167 CA PRO A 22 4, .614 40 .770 67, .314 1. .00 72, .98

168 CB PRO A 22 5, .334 42, .101 67. .148 1. .00 71, .38

169 CG PRO A 22 4, .209 43, .030 66. .873 1. .00 71, .24

170 C PRO A 22 4, .290 40, .474 68. .779 1. .00 74. .37

171 0 PRO A 22 3, .686 39, .446 69. .097 1. .00 75. .51

172 N ILE A 23 4, .707 41, .376 69, .670 1. .00 76. .30

173 CA ILE A 23 4. .489 41, .200 71. .110 1. .00 77. .44

174 CB ILE A 23 5 .626 40 .309 71, .718 1, .00 76. .56

175 CG2 ILE A 23 6, .876 41 .150 71, .999 1, .00 75. .83

176 CGI ILE A 23 5, .130 39 .602 72, .981 1, .00 76, .02

177 CDl ILE A 23 4 , .133 38, .483 72, .698 1, .00 76, .26

178 C ILE A 23 4 , .431 42, .549 71, .863 1, .00 77, .29

179 0 ILE A 23 4 , .734 42, .621 73 , .061 1, .00 78, .60

180 N ASN A 24 4. .029 43, .605 71 , .159 1. .00 76, .02

181 CA ASN A 24 3.932 44.949 71.736 1.00 75.46

182 CB ASN A 24 3.502 45.930 70.645 1.00 74.20 183 CG ASN A 24 3.793 47.374 71.003 1.00 74.13

184 ODl ASN A 24 3.131 47.966 71.851 1.00 73.08

185 ND2 ASN A 24 4.796 47.950 70.350 1.00 74.70

118866 C ASN A 24 2.951 45.018 72.916 1.00 75.59

118877 0 ASN A 24 2.065 44.172 73.042 1.00 76.19

118888 N ALA A 25 3.115 46.027 73.775 1.00 75.10

118899 CA ALA A 25 2.245 46.216 74.945 1.00 75.21

119900 CB ALA A 25 3.091 46.444 76.206 1.00 74.62

119911 C ALA A 25 1.268 47.385 74.739 1.00 75.04

119922 0 ALA A 25 0.322 47.573 75.513 1.00 73.69

119933 N LEU A 2266 1.530 48.176 73.701 1.00 75.58

119944 CA LEU A 2266 0.679 49.307 73.316 1.00 75.50

119955 CB LEU A 26 1.497 50.409 72.623 1.00 76.18

119966 CG LEU A 26 2.284 51.438 73.440 1.00 76-98

119977 CDl LEU A 26 3.206 52.230 72.500 1.00 76.94

119988 CD2 LEU A 26 1.318 52.369 74.179 1.00 76.09

119999 C LEU A 26 ^■0.321 48.735 72.317 1.00 74.65

220000 0O LEU A 26 ^■1,457 49.197 72.215 1.00 74.25

220011 N SER A 27 0,134 47.730 71.570 1.00 73.97

220022 CA SER A 27 ^■0.697 47.057 70.582 1.00 73.35

220033 CB SER A 27 0.124 46.002 69.828 1.00 73.63

220044 OG SER A 27 0.689 45.053 70.716 1.00 74.78

220055 C SER A 27 ^•1.858 46.402 71.326 1.00 72.49

220066 0 SER A 27 -2.990 46.371 70.832 1.00 71.99

220077 N ASN A 28 -1.571 45.885 72.518 1.00 70.70

220088 CA ASN A 28 -2.608 45.269 73.328 1.00 70.87

220099 CB ASN A 2288 -22. .000011 4444.. .337777 74 .404 11., .0000 7722., .0088 210 CG ASN A 28 1 .580 43 .032 73 .865 1 .00 73 .02

211 ODl ASN A 28 0. .688 42. ,940 73. .019 1. .00 75. .08

212 ND2 ASN A 28 2, .227 41. .974 74, .345 1. .00 72. .58

213 C ASN A 28 3 .476 46, .339 7 .976 1, .00 70. .68 214 O ASN A 28 4. .571 46. .050 74, .460 1. .00 70. .24 215 N SER A 29 2 .987 47, .576 73, .993 1. .00 70, .76

216 CA SER A 29 3 .772 48 .668 74 .564 1. .00 71 .76

217 CB SER A 29 2, .922 49. .938 74 , .770 1. .00 72. .83

218 OG SER A 29 2 .835 50, .732 73 .592 1. .00 75, .15 219 SER A 29 4 .889 48 .942 73 .557 1. .00 70 .36 220 O SER A 29 -5.905 49.569 73.881 1.00 70.94 221 N LEU A 30 -4.687 48.464 72.330 1.00 67.88 222 CA LEU A 30 -5.676 48.638 71.286 1.00 65.42 223 CB LEU A 30 -5.020 49.056 69.973 1.00 62.27 224 CG LEU A 30 -6.063 49.429 68.911 1.00 60.97

225 CDl LEU A 30 -6.752 50.724 69.325 1.00 58.52

226 CD2 LEU A 30 -5.407 49.586 67.543 1.00 60.60

227 C LEU A 30 -6.440 47.336 71.076 1.00 64.90 228 0 LEU A 30 -7.643 47.272 71.311 1, .00 66, .14 229 N LEU A 31 -5.741 46.296 70.642 1, .00 63, .73 230 CA LEU A 31 -6.381 45.009 70.389 1. .00 63, .11 231 CB LEU A 31 -6.274 44.671 68.898 1, .00 61, .96 232 CG LEU A 31 -6.694 43.295 68.395 1. .00 60, .92

233 CDl LEU A 31 -7.075 43.392 66.934 1, .00 61, .38

234 CD2 LEU A 31 -5.563 42.308 68.591 1, .00 60, .89

235 C LEU A 31 -5.757 43.914 71.246 1, .00 62, .96 236 O LEU A 31 -4.544 43.866 71.421 1. .00 63, .21 237 N ARG A 32 -6.601 43.031 71.768 1. .00 63, .11 238 CA ARG A 32 -6.154 41.955 72.642 1, .00 63, .75

239 CB ARG A 32 -7.023 41.966 73.914 1. .00 65, .85

240 CG ARG A 32 -6.592 41.024 75.027 1. .00 68, .81

241 CD ARG A 32 -7.341 41.316 76.335 1. .00 70, .98 242 NE ARG A 32 -8.758 40.953 76.301 1. .00 73, .62

243 CZ ARG A 32 -9.219 39.703 76.252 1. .00 75, .94

244 NHl ARG A 32 -8.375 38.677 76.230 1. .00 77, .37

245 NH2 ARG A 32 ^■10.529 39.474 76.226 1. .00 75, .59

246 C ARG A 32 -6.184 40.581 71.960 1. .00 63. .00 247 O ARG A 32 -5.440 39.678 72.344 1. .00 61, .35 248 N HIS A 33 -7.041 40.423 70.950 1. .00 63. .57

249 CA HIS A 33 -7.138 39.153 70.227 1. .00 64. .04

250 CB HIS A 33 -8.565 38.927 69.715 1.00 66.06

251 CG HIS A 33 -9.601 38.831 70.795 1.00 68.90 252 CD2 HIS A 33 -10.252 37.761 71.313 1.00 69.80 253 NDl HIS A 33 -10.091 39.934 71.462 1.00 69.30 254 CEl HIS A 33 -10.999 39.550 72.341 1.00 69.37

255 NE2 HIS A 33 ^■11.115 38.236 72.271 1.00 70.45

256 C HIS A 33 -6.162 39.143 69.041 1.00 63.62 257 0 HIS A 33 -6..556 38.,994 67..881 1..00 64..23

258 N HIS A 34 -4 .879 39, .286 69, .349 1. .00 62. .92

259 CA HIS A 34 -3. .831 39. ,329 68. .335 1. .00 61. 93

260 CB HIS A 34 -2, .454 39. .381 69, .009 1, .00 62. .95

261 CG HIS A 34 -2. .137 38. .168 69. .828 1. .00 64. .16

262 CD2 HIS A 34 -1. .705 36. .936 69. .465 1. .00 64. .22

263 NDl HIS A 34 -2. .301 38. .128 71, .197 1. .00 64. .24

264 CEl HIS A 34 -1. .984 36. .924 71. .642 1, .00 64. .54

265 NE2 HIS A 34 -1, .620 36. .181 70. .611 1, .00 65. .16

266 C HIS A 34 -3. .831 38. .201 67, .310 1, .00 60, .22

267 0 HIS A 34 -3 .268 38, .356 66, .239 1, .00 60. .07

268 N ASN A 35 -4 , .455 37. .073 67. .626 1, .00 60. .60

269 CA ASN A 35 -4 .466 35, .941 66 .702 1 .00 61. .33

270 CB ASN A 35 -4. .792 34. .661 67. .442 1. .00 63. .94

271 CG ASN A 35 -3. .906 34, .452 68, .614 1. .00 68, .43

272 ODl ASN A 35 -2 .694 34, .266 68 .463 1. .00 70 .96

273 ND2 ASN A 35 -4 .490 34. .499 69. .811 1. .00 71. .15

274 C ASN A 35 -5 .431 36, .061 65 .553 1. .00 60, .32

275 0 ASN A 35 -5 .433 35, .215 64 .663 1, .00 60, .73

276 N LEU A 36 -6 .271 37. .087 65. .584 1, .00 59. .46

277 CA LEU A 36 -7. .249 37. .290 64. .524 1, .00 58. .34

278 CB LEU A 36 -8 .542 37, .845 65 .113 1 .00 58 .54

279 CG LEU A 36 -9. .183 37. .023 66. .236 1. .00 58. .12

280 CDl LEU A 36 -10 .495 37, .673 66 .631 1, .00 56. .37

281 CD2 LEU A 36 -9 .411 35 .586 65 .774 1 .00 57 .69

282 C LEU A 36 -6. .696 38. .261 63, .491 1. .00 58. .27

283 0 LEU A 36 -7 .284 38, .464 62 .423 1 .00 58, .45

284 N VAL A 37 -5 .562 38, .865 63 .830 1 .00 56, .39

285 CA VAL A 37 -4. .895 39, .820 62, .963 1. .00 56. .61

286 CB VAL A 37 -4. .208 40. .904 63, .794 1, .00 55, .38

287 CGI VAL A 37 -3 .622 41 .966 62 .891 1 .00 55 .41

288 CG2 VAL A 37 -5, .206 41. .507 64 , .763 1. .00 56. .65

289 C VAL A 37 -3 .844 39, .073 62, .156 1, .00 56. .38

290 0 VAL A 37 -3 .248 38 .120 62 .653 1 .00 57 .96

291 N TYR A 38 -3. .617 39. .489 60, .914 1. .00 55. .22

292 CA TYR A 38 -2 .622 38 .815 60 .096 1 .00 53, .10

293 CB TYR A 38 -3 .106 37, .407 59 .738 1 .00 53 .13 294 CG TYR A 38 -4..156 37,.363 58..654 1..00 56..72

295 CDl TYR A 38 -3, .797 37, .202 57. .317 1. .00 56. .42

296 CEl TYR A 38 -4. .761 37, .171 56. .312 1. .00 58. .57

297 CD2 TYR A 38 -5. .516 37, .495 58. .960 1. .00 57. .97

298 CE2 TYR A 38 -6. .489 37, .467 57. .961 1. .00 57. .77

299 CZ TYR A 38 -6. .105 37, .305 56. .640 1. .00 59. .28

300 OH TYR A 38 -7. .057 37, .278 55, .646 1. .00 61. .28

301 C TYR A 38 -2, .293 39, .581 58, .832 1. .00 51. .96

302 0 TYR A 38 -3 , .055 40, .454 58, .400 1. .00 52. .17

303 N SER A 39 -1, .142 39, .257 58, .250 1. .00 49. .83

304 CA SER A 39 -0, .710 39 .894 57, .021 1. .00 48, .03

305 CB SER A 39 0, .625 40 .620 57, .218 1. .00 48, .69

306 OG SER A 39 0. .948 41 .406 56, .075 1. .00 45, .72

307 C SER A 39 -0, .557 38 .819 55 .961 1, .00 48, .21

308 0 SER A 39 -0, .330 37 .654 56 .285 1. .00 49, .11

309 N THR A 40 -0, .717 39 .212 54 .703 1. .00 47, .16

310 CA THR A 40 -0, .570 38 .293 53 .584 1, .00 47, .45

311 CB THR A 40 -1, .390 38 .766 52 .363 1, .00 48, .00

312 OGl THR A 40 -1, .025 40 .114 52 .036 1. .00 47, .64

313 CG2 THR A 40 -2, .877 38 .709 52 .668 1. .00 47, .90

314 C THR A 40 0, .908 38 .249 53 .193 1, .00 46, .89

315 0 THR A 40 1, .624 39 .227 53 .375 1. .00 47, .55

316 N THR A 41 1, .357 37 .114 52 .668 1, .00 45, .65

317 CA THR A 41 2, .747 36 .948 52, .250 1. .00 45, .91

318 CB THR A 41 3, .580 36 .159 53 , .275 1. .00 44 , .59

319 OGl THR A 41 3, .351 34 .754 53 , .086 1. .00 45, .86

320 CG2 THR A 41 33,. .221100 3366. .555588 54 , .700 1. .00 44 , .41

332211 C THR A 41 22,. .779955 3366. .114400 50, .960 1. .00 47, .34

332222 O THR A 41 1, .833 35 .440 50, .619 1. .00 47. .45

332233 N SER A 42 3, .928 36 .218 50, .263 1. .00 46. .14

324 CA SER A 42 4 , .110 35 .488 49, .019 1. .00 45. .60

325 CB SER A 42 5, .516 35 .742 48, .455 1. .00 48. .61

332266 OG SER A 42 6, .518 35 .631 49. .451 1. .00 50. .65

332277 C SER A 42 3 , .852 33 .991 49, .176 1. .00 45. .80

332288 O SER A 42 3 , .843 33 .255 48, .190 1. .00 45. .16

332299 N ARG A 43 3, .629 33, .540 50. .409 1. .00 45. .79

333300 CA ARG A 43 3. .337 32 .126 50. .650 1. .00 47. .18 331 CB ARG A 43 3.318 31.821 52.158 1.00 50.20

332 CG ARG A 43 4.574 31.098 52.677 1.00 53.65

333 CD ARG A 43 4. .508 30. .775 54.177 1.00 55.81 334 NE ARG A 43 4 , .493 31, .974 55.022 1.00 59.27

335 CZ ARG A 43 5, .455 32, .896 55.044 1.00 60.44

336 NHl ARG A 43 6. .521 32, .765 54.266 1.00 61.37

337 NH2 ARG A 43 5, .353 33 .954 55.843 1.00 59.18

338 C ARG A 43 1. .985 31, .753 50.033 1.00 46.91

339 O ARG A 43 1. .797 3300., .663377 49.543 1.00 48.04

340 N SER A 44 1, .048 32, .694 50.048 1.00 45.71 341 CA SER A 44 0. .278 32 .448 49.494 1.00 45.10 342 CB SER A 44 1. .358 33 .129 50.357 1.00 44.47 343 OG SER A 44 1 .280 34 .546 50.319 1.00 40.71 344 C SER A 44 0. .397 32 .926 48.052 1.00 44.87 345 O SER A 44 •1.440 32.765 47.425 1.00 45.46 346 N ALA A 45 0.680 33.490 47.515 1.00 43.43

347 CA ALA A 45 0.655 33.998 46.149 1.00 42.05

348 CB ALA A 45 2.043 34.457 45.741 1.00 43.80

349 C ALA A 45 0.089 33.051 45.088 1.00 42.38

350 O ALA A 45 0.671 33.485 44.227 1.00 41.89

351 N SER A 46 0.425 31.768 45.131 1.00 41.86 352 CA SER A 46 0.098 30.880 44.090 1.00 43.96 353 CB SER A 46 0.542 29.486 44.172 1.00 42.80 354 OG SER A 46 0.140 28.786 45.334 1.00 45.67

355 C SER A 46 -1.631 30.749 44.063 1.00 44.53

356 O SER A 46 -2.208 30.504 43.004 1.00 44.61

357 N LEU A 47 -2.287 30.906 45.211 1.00 43.54

358 CA LEU A 47 -3.746 30.812 45.249 1.00 44.07

359 CB LEU A 47 -4.268 30.801 46.695 1.00 44.85

360 CG LEU A 47 -3.817 29.673 47.627 1.00 48.14

361 CDl LEU A 47 -4.594 29.762 48.932 1.00 48.34 362 CD2 LEU A 47 -4.052 28.316 46.973 1.00 49.41

363 C LEU A 47 -4.334 32.007 44.499 1.00 43.20

364 O LEU A 47 -5.325 31.882 43.776 1.00 41.48

365 N ARG A 48 -3.725 33.173 44.683 1.00 42.35

366 CA ARG A 48 ^•4.192 34.356 43.986 1.00 42.87

367 CB ARG A 48 ^•3.438 35.596 44.442 1.00 41.55 368 CG ARG A 48 -3..774 36..815 43..621 1.,00 43..09

369 CD ARG A 48 -5. ,227 37. .200 43. .791 1. .00 44. .66

370 NE ARG A 48 -5. .529 37. .520 45. .183 1. .00 47. .64

371 CZ ARG A 48 -6. .740 37. .831 45. .634 1. .00 50. .39

372 NHl ARG A 48 -7. ,776 37. .871 44. .800 1. .00 52. .32

373 NH2 ARG A 48 -6. .919 38. .089 46. .924 1. .00 51. .18

374 C ARG A 48 -3. .970 34. .148 42. .495 1. .00 43. .71

375 0 ARG A 48 -4. .795 34. .548 41. .675 1. .00 46. .09

376 N GLN A 49 -2. .859 33. .510 42, .146 1. .00 43, .06

377 CA GLN A 49 -2. .554 33 .258 40, .744 1. .00 42, .61

378 CB GLN A 49 -1. .231 32 .494 40, ,600 1, .00 41, .13

379 CG GLN A 49 -0. .015 33 .362 40, .913 1. .00 42, .20

380 CD GLN A 49 1. .287 32 .577 40, .969 1. .00 41, .43

381 OEl GLN A 49 1. .871 32 .224 39, .935 1. .00 40, .70

382 NE2 GLN A 49 1. .742 32 .290 42, .181 1. .00 37, .29

383 C GLN A 49 -3, .690 32 .488 40, .096 1. .00 41, .59

384 0 GLN A 49 -4. .145 32. .853 39, .011 1. .00 39, .49

385 N LYS A 50 -4. .146 31 .431 40, .762 1. .00 41, .23

386 CA LYS A 50 -5. .248 30 .636 40, .238 1. .00 43, .20

387 CB LYS A 50 -5. .716 29 .601 41, .261 1. .00 46, .29

388 CG LYS A 50 -5, .401 28 .161 40, .887 1. .00 54 , .21

389 CD LYS A 50 -4 , .086 27. .678 41, .507 1. .00 60, .17

390 CE LYS A 50 -3. .783 26 .222 41, .140 1. .00 62, .42

391 NZ LYS A 50 -2. .553 25. .694 41, .818 1. .00 64 , .69

392 C LYS A 50 -6. .397 31. .584 39, .909 1. .00 42, .54

393 0 LYS A 50 -6. .822 31, .674 38, .759 1. .00 42, .01

394 N LYS A 51 -6. .861 32, .311 40, .923 1. .00 40, .56

395 CA LYS A 51 -7. .956 33 .266 40, .777 1. .00 40, .71

396 CB LYS A 51 -8. .137 34, .070 42, .065 1. .00 43 , .76

397 CG LYS A 51 -8. .669 33, ,278 43 , .225 1. .00 48, .69

398 CD LYS A 51 -8. .834 34, .176 44 , .432 1. .00 53 , .26

399 CE LYS A 51 -9. .370 33, .412 45, .626 1. .00 55, .04

400 NZ LYS A 51 -9. .593 34, .349 46. .768 1. .00 60. .08

401 C LYS A 51 -7. .859 34 , .261 39. .622 1. .00 39. .57

402 0 LYS A 51 -8. .806 34 , .391 38. .850 1. .00 40. .06

403 N VAL A 52 -6, .734 34 .970 39. .512 1. .00 35. .40

404 CA VAL A 52 -6, .584 35 .982 38 .464 1. .00 32. .46 405 CB VAL A 52 -5.433 36.977 38.773 1.00 34.54

406 CGI VAL A 52 -5.554 37.484 40.200 1.00 30.82

407 CG2 VAL A 52 -4.086 36.319 38.535 1.00 33.28 408 C VAL A 52 -6.334 3355..441177 37.086 1.00 32.61 409 0 VAL A 52 -6.233 36.161 36.125 1.00 30.75 410 N THR A 53 -6.271 34.098 36.985 1.00 32.33 411 CA THR A 53 -5.993 33.469 35.709 1.00 32.68 412 CB THR A 53 -4.826 32.481 35.865 1.00 32.34 413 OGl THR A 53 -3.734 33.164 36.482 1.00 35.73 414 CG2 THR A 53 -4.379 31.938 34.523 1.00 27.86 415 C THR A 53 -7.156 32.753 35.030 1.00 35.71 416 O THR A 53 -7.524 31.634 35.387 1.00 34.23 417 N PHE A 54 -7.716 33.395 34.019 1.00 35.98

418 CA PHE A 54 ^■8.809 32.789 33.298 1.00 36.65

419 CB PHE A 54 -10.113 32.992 34.070 1.00 34.46

420 CG PHE A 54 -10.318 34.394 34.567 1.00 34.39

421 CDl PHE A 54 -10.883 35.365 33.746 1.00 30.69

422 CD2 PHE A 54 -9.953 34.742 35.872 1.00 35.34

423 CEl PHE A 54 -11.085 36.663 34.213 1.00 31.38

424 CE2 PHE A 54 -10.150 36.043 36.354 1.00 33.30

425 CZ PHE A 54 -10.718 37.005 35.521 1.00 32.45

426 C PHE A 54 -8.910 33.356 31.900 1.00 39.78

427 0 PHE A 54 -8.309 34.381 31.587 1.00 40.84

428 N ASP A 55 -9.650 32.665 31.046 1.00 43.11

429 CA ASP A 55 -9.844 33.128 29.681 1.00 44.85

430 CB ASP A 55 -10.318 31.963 28.807 1.00 50.42

431 CG ASP A 55 -10.195 32.258 27.321 1.00 57.27

432 ODl ASP A 55 -10.326 31.307 26.511 1.00 61.39

433 OD2 ASP A 55 -9.973 33.438 26.963 1.00 58.08

434 C ASP A 55 -10.883 34.256 29.708 1.00 42.75

435 0 ASP A 55 -11.749 34.301 30.581 1.00 41.84

436 N ARG A 56 -10.771 35.196 28.784 1.00 41.64

437 CA ARG A 5566 -11.724 36.293 28.737 1.00 40.79

438 CB ARG A 5566 -11.020 37.650 28.923 1.00 37.43

439 CG ARG A 56 ■10.548 37.942 30.361 1.00 37.31

440 CD ARG A 56 -9.173 37.319 30.648 1.00 33.95 441 NE ARG A 56 -8.242 37.715 29.594 1.00 34.91 442 CZ ARG A 56 -7.684 38.916 29.490 1.00 32.01

443 NHl ARG A 56 -7.929 39.859 30.393 1.00 31.54

444 NH2 ARG A 56 -6.931 39.196 28.441 1.00 34.74

445 C ARG A 56 -12.482 36.271 27.414 1.00 42.07

446 O ARG A 56 -11.880 36.158 26.343 1.00 43.40

447 N LEU A 57 -13.806 36.353 27.505 1.00 42.00

448 CA LEU A 57 -14.672 36.364 26.329 1.00 42.79

449 CB LEU A 57 15.753 35.280 26.447 1.00 46.15

450 CG LEU A 57 16.968 35.398 25.514 1.00 50.75

451 CDl LEU A 57 -17.486 34.003 25.166 1.00 52.22

452 CD2 LEU A 57 -18.067 36.248 26.172 1.00 50.24

453 C LEU A 57 -15.308 37.739 26.281 1.00 42.40

454 O LEU A 57 -15.899 38.193 27.265 1.00 42.38

455 N GLN A 58 -15.194 38.406 25.141 1.00 41.31

456 CA GLN A 58 ^■ 15 . 737 39.749 25.028 1.00 42.28

457 CB GLN A 58 ^■ 14 . 602 40.766 25.160 1.00 40.39

458 CG GLN A 58 ■ 15 . 037 42.216 25.216 1.00 42.69

459 CD GLN A 58 ^• 13 . 896 43.150 25.622 1.00 42.97

460 OEl GLN A 58 - 12 . 852 43.188 24.973 1.00 44.45 461 NE2 GLN A 58 ^■ 14 . 096 43.901 26.699 1.00 40.43

462 C GLN A 58 ^• 16 . 493 39.967 23.730 1.00 43.83 463 0 GLN A 58 ^■ 15 . 983 39.688 22.650 1.00 44.65 464 N VAL A 59 ^■ 17 . 722 40.454 23.846 1.00 43.69

465 CA VAL A 59 ^• 18 . 539 40.719 22.678 1.00 43.63

466 CB VAL A 59 ^• 19 . 682 39.721 22.555 1.00 44.14 467 CGI VAL A 59 -20.458 40.006 21.283 1.00 44.88

468 CG2 VAL A 59 -19.136 38.309 22.544 1.00 42.58

469 C VAL A 59 -19.132 42.108 22.772 1.00 44.51

470 O VAL A 59 -20.030 42.356 23.571 1.00 46.30 471 N LEU A 60 -18.619 43.006 21.945 1.00 43.79

472 CA LEU A 60 -19.063 44.389 21.913 1.00 44.41

473 CB LEU A 60 -17.987 45.246 21.238 1.00 45.01

474 CG LEU A 60 -16.583 45.083 21.842 1.00 47.36

475 CDl LEU A 60 -15.605 46.006 21.144 1.00 48.20

476 CD2 LEU A 60 -16.621 45.404 23.334 1.00 49.18

477 C LEU A 60 -20.388 44.536 21.173 1.00 44.21

478 O LEU A 60 -20.822 43.614 20.489 1.00 42.58 479 N ASP A 61 -21.030 45.692 21.326 1.00 44.16

480 CA ASP A 61 -22.301 45.953 20.654 1.00 45.46

481 CB ASP A 61 -23.453 45.263 21.399 1.00 43.65

482 CG ASP A 61 -23.675 45.814 22.794 1.00 44.98

483 ODl ASP A 61 -24.282 45.085 23.603 1.00 47.42 484 OD2 ASP A 61 -23.270 46.963 23.089 1.00 43.68

485 C ASP A 61 -22.581 47.450 20.486 1.00 47.15

486 O ASP A 61 -21.783 48.296 20.898 1.00 47.69

487 N ASP A 62 -23.718 47.772 19.881 1.00 47.86

488 CA ASP A 62 -24.075 49.159 19.625 1.00 48.24

489 CB ASP A 62 -25.437 49.236 18.926 1.00 51.99 490 CG ASP A 62 -25.414 48.620 17.533 1.00 54.30 491 ODl ASP A 62 -24.545 49.012 16.721 1.00 53.88 492 OD2 ASP A 62 -26.266 47.748 17.249 1.00 57.87 493 C ASP A 62 -24.073 50.064 20.838 1.00 47.23 494 0 ASP A 62 -23.657 51.214 20.740 1.00 47.81

495 N HIS A 63 ^■24.542 49.564 21.975 1.00 46.27

496 CA HIS A 63 -24.562 50.378 23.185 1.00 46.40

497 CB HIS A 63 ^■25.227 49.631 24.339 1.00 48.05

498 CG HIS A 63 ^■26.719 49.591 24.251 1.00 50.65

499 CD2 HIS A 63 ^■27.583 48.550 24.220 1.00 52.04

500 NDl HIS A 63 -27.489 50.731 24.179 1.00 50.58

501 CEl HIS A 63 -28.764 50.393 24.106 1.00 52.04

502 NE2 HIS A 63 -28.848 49.075 24.128 1.00 51.98

503 C HIS A 63 -23.141 50.724 23.572 1.00 46.29

504 O HIS A 63 -22.860 51.826 24.030 1.00 45.84

505 N TYR A 64 -22.245 49.765 23.382 1.00 46.10

506 CA TYR A 64 -20.847 49.966 23.705 1.00 47.29

507 CB TYR A 64 -20.082 48.660 23.488 1.00 46.72

508 CG TYR A 64 -18.616 48.727 23.846 1.00 47.26

509 CDl TYR A 64 -18.184 48.528 25.155 1.00 46.77

510 CEl TYR A 64 -16.831 48.577 25.482 1.00 44.56

511 CD2 TYR A 64 -17.654 48.982 22.868 1.00 46.43

512 CE2 TYR A 64 -16.300 49.036 23.183 1.00 43.66

513 CZ TYR A 64 -15.892 48.831 24.485 1.00 45.47

514 OH TYR A 64 -14.545 48.862 24.782 1.00 42.01

515 C TYR A 64 -20.280 51.083 22.812 1.00 47.97 516 0 TYR A 64 -19.852 52.132 23.307 1.00 47.96

517 N ARG A 65 -20.299 50.865 21.499 1.00 46.01

518 CA ARG A 65 -19.776 51.854 20.566 1.00 46.08

519 CB ARG A 65 -20.018 51.415 19.125 1.00 47.13

520 CG ARG A 65 -19.557 50.011 18.820 1.00 48.22

521 CD ARG A 65 -19.845 49.624 17.376 1.00 50.43

522 NE ARG A 65 -19.803 48.172 17.225 1.00 53.84

523 CZ ARG A 65 -20.868 47.380 17.284 1.00 53.23

524 NHl ARG A 65 -22. .072 47. .896 17. .476 1. .00 54. .10

525 NH2 ARG A 65 -20. .723 46, .069 17, .171 1. .00 55, .32

526 C ARG A 65 -20, .381 53 .235 20 .765 1, .00 46, .01

527 0 ARG A 65 -19. .691 54 , .244 20, .606 1. .00 46, .75

528 N ASP A 66 -21, .663 53 .292 21, .116 1, .00 44 , .78

529 CA ASP A 66 -22 .309 54 .583 21 .304 1, .00 45, .15

530 CB ASP A 66 -23. .818 54 , .420 21. .467 1. .00 47. .67

531 CG ASP A 66 -24. .498 54 , .044 20. .173 1, .00 49. .18

532 ODl ASP A 66 -24. .036 54 .507 19. .108 1. .00 51. .42

533 OD2 ASP A 66 -25. .497 53 , .301 20. .214 1, .00 52. .22

534 C ASP A 66 -21, .744 55, .342 22, .480 1, .00 44. .18

535 0 ASP A 66 -21, .402 56 .517 22 .364 1, .00 44, .71

536 N VAL A 67 -21, .641 54. .670 23, .618 1, .00 43. .22

537 CA VAL A 67 -21, .100 55 .320 24, .789 1, .00 42. .27

538 CB VAL A 67 -21, .148 54 .404 26, .001 1, .00 41, .33

539 CGI VAL A 67 -20, .495 55 .095 27, .199 1, .00 40, .64

540 CG2 VAL A 67 -22, .584 54 .066 26 .311 1, .00 39 .84

541 C VAL A 67 -19 .664 55 .703 24, .512 1, .00 43. .68

542 0 VAL A 67 -19, .233 56 .813 24, .829 1, .00 44 .30

543 N LEU A 68 -18, .922 54 .786 23 .908 1 .00 43 .20

544 CA LEU A 68 -17. .534 55, .060 23. .600 1. .00 45. .85

545 CB LEU A 68 -16. .921 53 , .919 22. .797 1. .00 44. .50

546 CG LEU A 68 -15. .519 54 , .259 22. .286 1, .00 42, .89

547 CDl LEU A 68 -14. .676 54, .809 23. .413 1. .00 39, .33

548 CD2 LEU A 68 -14. .884 53 , .027 21, .681 1. .00 43, .37

549 C LEU A 68 -17. .413 56 .347 22, .802 1. .00 48, .64

550 0 LEU A 68 -16. .686 57. .267 23. .193 1. .00 48. .80

551 N LYS A 69 -18. .133 56, .398 21, .683 1. .00 49. .90

552 CA LYS A 69 -18, .116 57 .562 20, .811 1, .00 50. .74 553 CB LYS A 69 -19..136 57,.405 19,.687 1..00 52..74

554 CG LYS A 69 -19. .193 58, .617 18, .783 1. .00 56, .87

555 CD LYS A 69 -20. .245 58, .489 17, .697 1. .00 58, .64

556 CE LYS A 69 -20. .232 59, .725 16, .807 1. .00 59, .30

557 NZ LYS A 69 -21. .293 59, .686 15, .767 1. .00 61, .05

558 C LYS A 69 -18. .414 58, .836 21, .585 1. .00 50, .51

559 0 LYS A 69 -17. .837 59, .890 21. .307 1. .00 50, .67

560 N GLU A 70 -19. .312 58, .734 22. .559 1. .00 49, .54

561 CA GLU A 70 -19. .682 59, .889 23 .366 1. .00 49, .90

562 CB GLU A 70 -20. .880 59, .559 24. .266 1. .00 50. .46

563 CG GLU A 70 -22. .143 59, .157 23 .521 1 , .00 53, .32

564 CD GLU A 70 -23. .312 58, .841 24 .455 1, .00 55, .00

565 OEl GLU A 70 -24. .365 58, .408 23 .948 1. .00 56, .21

566 OE2 GLU A 70 -23, .185 59, .027 25 .686 1. .00 54. .87

567 C GLU A 70 -18, .514 60, .325 24 .233 1. .00 48. .66

568 0 GLU A 70 -18. .286 61 .517 24 .429 1. .00 48, .23

569 N MET A 71 -17. .788 59 .343 24 .760 1. .00 48, .36

570 CA MET A 71 -16. .643 59 .608 25 .613 1. .00 47, .12

571 CB MET A 71 -16. .093 58 .290 26 .181 1. .00 47, .77

572 CG MET A 71 -17, .026 57 .606 27 .176 1. .00 46, .89

573 SD MET A 71 -16, .504 55 .957 27. .704 1. .00 50, .09

574 CE MET A 71 -15, .199 56 .374 28, ,913 1. .00 45, .66

575 C MET A 71 -15, .576 60 .332 24 , .802 1. .00 47, .57

576 0 MET A 71 -15, .095 61 .388 25, .212 1. .00 48, .10

577 N LYS A 72 -15, .224 59 .774 23, .645 1. .00 47, .05

578 CA LYS A 72 -14 , .208 60 .384 22, .782 1. .00 48, .66

579 CB LYS A 72 -14 , .092 59 .635 21, .455 1. .00 46, .48

580 CG LYS A 72 -13, .564 58 .224 21, .590 1. .00 47, .20

581 CD LYS A 72 -13. .313 57 .595 20, .238 1. .00 48. .72

582 CE LYS A 72 -12. .696 56 .215 20, .395 1. .00 51. .00

583 NZ LYS A 72 -12. .362 55, .596 19, .086 1. .00 52. .85

584 C LYS A 72 -14. .544 61, .840 22, .508 1. .00 49. .69

585 0 LYS A 72 -13. .683 62, .720 22, .591 1. .00 50. .39

586 N ALA A 73 -15. .804 62 .095 22, .184 1. .00 49. .86

587 CA ALA A 73 -16. .221 63, .455 21. .916 1. .00 51. .61

588 CB ALA A 73 -17. .725 63, .516 21. .752 1. .00 50. .93

589 C ALA A 73 -15. .772 64, .342 23. .074 1. .00 52. .28 590 0 ALA A 73 -15.105 65.350 22.867 1.00 51.91

591 N LYS A 74 -16.112 63.950 24.296 1.00 53.00

592 CA LYS A 74 -15.736 64.738 25.465 1. .00 53. .97

593 CB LYS A 74 -16.354 64.139 26.730 1. .00 55. .87

594 CG LYS A 74 -17.849 64.381 26.881 1. .00 58. .52

595 CD LYS A 74 -18.350 63.779 28.198 1. .00 63 , .61

596 CE LYS A 74 -19.871 63.888 28.359 1. .00 64. .67

597 NZ LYS A 74 -20.350 63.258 29.633 1. .00 63. .99

598 C LYS A 74 -14.228 64.860 25.655 1. .00 53. .14

599 0 LYS A 74 -13.733 65.863 26.157 1. .00 51. .72

600 N ALA A 75 -13.494 63.836 25.248 1. .00 54 , .09

601 CA ALA A 75 -12.051 63.853 25.413 1, .00 54 , .82

602 CB ALA A 75 -11.493 62.455 25.216 1. .00 53. .97

603 C ALA A 75 -11.378 64.829 24.455 1, .00 55. .12

604 O ALA A 75 -10.368 65.449 24.800 1, .00 55, .61

605 N SER A 76 -11.948 64.975 23.262 1, .00 53 , .79

606 CA SER A 76 -11.381 65.863 22.258 1. .00 53 , .40

607 CB SER A 76 -12.161 65.764 20.957 1, .00 53 , .39

608 OG SER A 76 -13.414 66.411 21.093 1. .00 58, .70

609 C SER A 76 -11.383 67.302 22.731 1. .00 53 , .63

610 0 SER A 76 -10.843 68.183 22.060 1, .00 55, .48

611 N THR A 77 -11.989 67.546 23.884 1, .00 51, .75

612 CA THR A 77 -12.034 68.893 24.427 1, .00 52, .04

613 CB THR A 77 -13.406 69.203 25.040 1. .00 52. .60

614 OGl THR A 77 -13.574 68.438 26.242 1, .00 51, .83

615 CG2 THR A 77 -14.518 68.854 24.053 1. .00 51, .38

616 C THR A 77 -10.988 69.046 25.520 1, .00 52, .33 617 O THR A 77 -11.013 70.012 26.272 1, .00 52, .51 618 N VAL A 78 ^■10.071 68.087 25.605 1. .00 53 , .45

619 CA VAL A 78 -9.023 68.109 26.627 1, .00 53 , .88

620 CB VAL A 78 -9.016 66.806 27.452 1, .00 54 , .12

621 CGI VAL A 78 -7.734 66.709 28.263 1, .00 53 , .36

622 CG2 VAL A 78 ^■10.219 66.772 28.366 1. .00 55. .33

623 C VAL A 78 -7.624 68.290 26.071 1. .00 54. .24

624 O VAL A 78 -7.224 67.592 25.141 1, .00 52. .88

625 N LYS A 79 -6.872 69.211 26.663 1. .00 54. .97

626 CA LYS A 79 -5.504 69.458 26.219 1. .00 56. .92 627 CB LYS A 79 5..322 70..922 25,.801 1..00 59..51

628 CG LYS A 79 4 .009 71, .203 25 .066 1 , .00 62. .66 629 CD LYS A 79 3. .960 72, .639 24 .548 1. .00 65, .39 630 CE LYS A 79 2. .648 72, .948 23 .822 1. .00 67, .07

631 NZ LYS A 79 1. .452 72 , .865 24 .714 1. .00 67, .64 632 C LYS A 79 4. .530 69, .108 27 .330 1. .00 56. .14 633 O LYS A 79 4 , .607 69, .641 28, .430 1. .00 ^'55. .81 634 N ALA A 80 3. .610 68. .201 27, .039 1. .00 55. .98

635 CA ALA A 80 2. .648 67. .791 28, .041 1. .00 57. .27

636 CB ALA A 80 2. .793 66. .305 28, .314 1. .00 57. .38

637 CC AALLAA AA 80 1, .230 68. .114 27, .613 1. .00 57. .09 638 0 ALA A 80 0. .899 68. .069 26, .432 1. .00 56. .61 639 N LYS A 81 0. .396 68. .425 28, .597 1. .00 57. .82 640 CA LYS A 81 00.. .999988 68. .776 28, .363 1. .00 59. .15 641 CB LYS A 81 11.. .334422 70. .053 29 .126 1. .00 60. .47 642 CG LYS A 81 11.. .119988 69. .893 30 .640 1 , .00 63 , .04 643 CD LYS A 81 11.. .776666 71, .082 31 .409 11,. .0000 6633.. .7744 644 CE LYS A 81 1.640 70.867 32.911 1.00 64.26 645 NZ LYS A 81 2.367 71.908 33.697 1.00 66.25 646 C LYS A 81 1.943 67.681 28.830 1.00 58.57 647 O LYS A 81 1.559 66.807 29.602 1.00 58.64

648 N LEU A 82 3.184 67.739 28.360 1.00 58.60

649 CA LEU A 82 4 . 196 66.776 28.769 1.00 57.57

650 CB LEU A 82 5 . 325 66.699 27.742 1.00 56.09

651 CG LEU A 82 5 . 163 65.870 26.471 1.00 56.65

652 CDl LEU A 82 6 . 376 66.074 25.577 1.00 56.13

653 CD2 LEU A 82 5.027 64.402 26.825 1.00 55.30

654 C LEU A 82 4.762 67.305 30.076 1.00 58.04

655 O LEU A 82 4.628 68.489 30.369 1.00 59.26 656 N LEU A 83 5.378 66.433 30.866 1.00 58.24

657 CA LEU A 83 5 . 995 66.848 32.119 1.00 58.28

658 CB LEU A 83 5 . 653 65.885 33.262 1.00 57.05

659 CG LEU A 83 4 . 378 66.024 34.091 1.00 54.99

660 CDl LEU A 83 4 . 493 65.113 35.300 1.00 53.72

661 CD2 LEU A 83 4 . 192 67.454 34.546 1.00 55.29

662 C LEU A 83 7 . 505 66.837 31.927 1.00 58.95

663 O LEU A 83 8 . 054 65.878 31.381 1.00 59.33 664 N SER A 84 8,.176 67,.894 32.375 1,.00 60,.23

665 CA SER A 84 9. .631 67, .965 32, .262 1 , .00 59. .97

666 CB SER A 84 10, .149 69, .312 32, .758 1. .00 60, .12

667 OG SER A 84 10, .173 69 .346 34 .178 1, .00 59, .23

668 C SER A 84 10, ,185 66, .874 33, .167 1, .00 60. .49

669 0 SER A 84 9, .609 66, .588 34 .221 1, .00 61, .64 670 N VAL A 85 11. .295 66, .269 32, .763 1, .00 60. .01 671 CA VAL A 85 11, .913 65, .217 33 .557 1, .00 59. .63 672 CB VAL A 85 13, .349 64, .960 33 .101 1, .00 59, .31 673 CGI VAL A 85 13, .998 63, .911 33 .988 1, .00 59. .14

674 CG2 VAL A 85 13, .354 64, .522 31 .652 1, .00 58, .44 675 C VAL A 85 11.950 65.640 35.015 1.00 61.05 676 0 VAL A 85 11.665 64.851 35.919 1.00 60.43 677 N GLU A 86 12.309 66.900 35.238 1.00 62.32 678 CA GLU A 86 12.383 67.423 36.594 1.00 63.40 679 CB GLU A 86 12.879 68.880 36.588 1.00 65.61 680 CG GLU A 86 12.841 69.551 37.968 1.00 69.53 681 CD GLU A 86 13.545 70.903 38.009 1.00 70.80

682 OEl GLU A 86 13.356 71.638 39.007 1.00 69.93

683 OE2 GLU A 86 14.291 71.220 37.052 1.00 72.20

684 C GLU A 86 11.016 67.324 37.272 1.00 61.63

685 0 GLU A 86 10.880 66.677 38.311 1.00 62.06

686 N GLU A 87 10.009 67.960 36.681 1.00 58.85

687 CA GLU A 87 8.667 67.925 37.240 1.00 56.35

688 CB GLU A 87 7.673 68.523 36.247 1.00 56.95

689 CG GLU A 87 7.639 70.043 36.253 1.00 58.03

690 CD GLU A 87 6.777 70.617 35.140 1.00 60.05

691 OEl GLU A 87 6 . 335 71.784 35.264 1.00 60.85

692 OE2 GLU A 87 6 . 554 69.904 34.136 1.00 58.89

693 C GLU A 87 8 . 285 66.486 37.584 1.00 54.37

694 0 GLU A 87 7 . 886 66.194 38.712 1.00 54.35

695 N ALA A 88 8 . 434 65.586 36.619 1.00 50.89 696 CA ALA A 88 8 . 112 64 . 184 36.844 1.00 49.71

697 CB ALA A 88 8.394 63.377 35.588 1.00 48.80

698 C ALA A 88 8.894 63.606 38.023 1.00 49.23

699 0 ALA A 88 8.322 62.967 38.907 1.00 49.45

700 N CYS A 89 10.204 63.828 38.031 1.00 48.97 701 CA CYS A 89 11,.050 63..321 39..098 1..00 48..41

702 CB CYS A 89 12, .488 63. .830 38. .928 1. .00 47. .45

703 SG CYS A 89 13 , .538 62. .787 37. .870 1. .00 50. .14

704 C CYS A 89 10, .513 63. .700 40. .471 1. .00 48. .49

705 0 CYS A 89 10, .601 62. .908 41. .405 1. .00 46, .78

706 N LYS A 90 9, .947 64. .898 40. .595 1. .00 49, .80

707 CA LYS A 90 99,. .441133 6655.. .333311 41, .884 1, .00 53 , .41

708 CB LYS A 90 99,. .113399 6666.. .883399 41, .886 1, .00 56, .65

709 CG LYS A 90 1100,. .339977 6677.. .668866 42, .084 1, .00 63, .21

710 CD LYS A 90 10, .163 68, .865 43, .041 1, .00 65, .62

711 CE LYS A 90 9, .100 69, .827 42, .510 1, .00 66, .92

712 NZ LYS A 90 88. .889922 70, .977 43, .432 1. .00 66, .80

713 C LYS A 90 8.156 64.579 42.321 1.00 53.19

771144 0 LYS A 90 7.879 64.473 43.520 1.00 53.57 715 N LEU A 91 7.402 64.061 41.354 1.00 51.86

716 CA LEU A 91 6.187 63.306 41.654 1.00 50.99

717 CB LEU A 91 5.270 63.242 40.435 1.00 49.97

718 CG LEU A 91 4.700 64.574 39.969 1.00 49.94

719 CDl LEU A 91 4.111 64.415 38.577 1.00 47.79

720 CD2 LEU A 91 3.666 65.063 40.971 1.00 48.45

721 C LEU A 91 6.526 61.890 42.080 1.00 49.78 722 O LEU A 91 55..663322 61. .056 42, .220 1. .00 50, .10 723 N THR A 92 7.814 61. .622 42 .278 1. .00 48 .18

724 CA THR A 92 8.263 60. .299 42, .685 1. .00 48, .68

725 CB THR A 92 99..662255 5599,. .995577 42 .056 1. .00 46, .47

726 OGl THR A 92 9.544 60.100 40.635 1.00 47.31

727 CG2 THR A 92 10.033 58.528 42.394 1.00 42.70

728 C THR A 92 8.392 60.184 44.203 1.00 51.55

729 O THR A 92 8.970 61.052 44.849 1.00 51.61

730 N PRO A 93 7.829 59.112 44.790 1.00 53.11

731 CD PRO A 93 6.737 58.348 44.163 1.00 53.92

732 CA PRO A 93 7.867 58.846 46.236 1.00 55.09

733 CB PRO A 93 6.816 57.751 46.419 1.00 54.12

734 CG PRO A 93 5.835 58.067 45.345 1.00 55.46

735 C PRO A 93 9.238 58.401 46.749 1.00 55.10

736 O PRO A 93 9.809 57.424 46.267 1.00 54.74 737 N PRO A 94 9.762 59.109 47.760 1.00 54.88 738 CD PRO A 94 9..013 60..161 48..470 1,.00 56..06

739 CA PRO A 94 11. .047 58. .876 48. .414 1. .00 55, .43 740 CB PRO A 94 10. .857 59. .543 49. .764 1, .00 54 , .77 741 CG PRO A 94 10. .048 60. .718 49. .414 1. .00 56, .35 742 C PRO A 94 11. .398 57. .414 48. .564 1. .00 56, .46

743 O PRO A 94 12. .549 57. .025 48. .399 1. .00 57, .01

744 N HIS A 95 10. .403 56. .601 48. .885 1 , .00 57, .51

745 CA HIS A 95 10. .640 55. .179 49, .083 1, .00 59, .08

746 CB HIS A 95 9. .752 54, .660 50, .212 1 , .00 62, .92 747 CG HIS A 95 8. .323 55, .090 50, .101 1 , .00 67. .86

748 CD2 HIS A 95 7. .218 54, .420 49, .692 1, .00 69. .32

749 NDl HIS A 95 7. .902 56, .362 50, .428 1, .00 70. .01

750 CEl HIS A 95 6. .598 56, .457 50, .228 1, .00 71. .09

751 NE2 HIS A 95 6. .160 55, .292 49, .781 1 , .00 70. .94 752 C HIS A 95 10. .434 54, .311 47, .848 1, .00 57 .56

753 O HIS A 95 10. .672 53, .105 47 .896 1, .00 58 .59

754 N SER A 96 10, .007 54, .913 46 .745 1, .00 53. .86

755 CA SER A 96 9, .766 54 .148 45 .531 1, .00 52 .06

756 CB SER A 96 9, .555 55 .084 44 .347 1, .00 51 .22 757 OG SER A 96 9, .230 54 .336 43 .188 1, .00 51 .90

758 C SER A 96 10. .877 53 .152 45 .205 1, .00 51 .31

759 O SER A 96 12. .063 53 .457 45 .324 1, .00 53 .24

760 N ALA A 97 10, .478 51 .954 44 .800 1, .00 49 .42

761 CA ALA A 97 11, .419 50 .895 44 .450 1, .00 48 .90 762 CB ALA A 97 10, .686 49 .768 43 .740 1, .00 47 .02

763 C ALA A 97 12, .560 51 .402 43 .570 1, .00 48 .99

764 O ALA A 97 12, .335 52 .064 42 .550 1, .00 48. .70

765 N LYS A 98 13, .781 51 .069 43 .970 1, .00 49 .47 766 CA LYS A 98 14, .986 51 .479 43 .249 1, .00 50. .85 767 CB LYS A 98 16, .236 51 .051 44 .029 1, .00 51. .49

768 CG LYS A 98 16, .344 49 .536 44 .165 1, .00 53. .01

769 CD LYS A 98 17, .673 49 .056 44 .720 1. .00 53 .93

770 CE LYS A 98 17, .684 47 .520 44 .748 1, .00 56 .51

771 NZ LYS A 98 18, .985 46 .872 45 .140 1, .00 56 .51 772 C LYS A 98 15, .072 50 .881 41 .841 1 , .00 50. .88

773 O LYS A 98 14 , .683 49 .726 41, .610 1, .00 50. .03

774 N SER A 99 15, .595 51 .677 40, .913 1, .00 50, .34 775 CA SER A 99 15.786 51.238 39.540 1.00 50.83

776 CB SER A 99 16.372 52.367 38.686 1.00 50.50

777 OG SER A 99 16.752 51.896 37.400 1.00 48.15

778 C SER A 99 16.750 50.064 39.551 1.00 51.17

779 O SER A 99 17.655 49.994 40.380 1.00 52.06

780 N LYS A 100 16.538 49.142 38.626 1.00 52.40

781 CA LYS A 100 17.364 47.958 3388..449944 1.00 54.44

782 CB LYS A 100 16.594 46.897 37.707 1.00 56.88

783 CG LYS A 100 17.221 45.520 37.680 1.00 60.12

784 CD LYS A 100 16.486 44.601 36.703 1.00 62.71

785 CE LYS A 100 16.970 43.155 36.832 1.00 64.32

786 NZ LYS A 100 16.429 42.256 35.765 1.00 68.50

787 C LYS A 100 18.632 48.359 37.742 1.00 56.07 788 O LYS A 100 19.533 47.546 37.527 1.00 56.12 789 N PHE A 101 18.696 49.621 37.333 1.00 56.84

790 CA PHE A 101 19.861 50.105 36.614 1.00 57.30

791 CB PHE A 101 19.425 50.900 3355..338822 1.00 56.83

792 CG PHE A 101 18.657 50.080 34.382 1.00 55.40

793 CDl PHE A 101 17.276 50.203 34.273 1.00 54.88

794 CD2 PHE A 101 19.313 49.152 33.576 1.00 54.61

795 CEl PHE A 101 16.557 49.414 33.374 1.00 54.33

796 CE2 PHE A 101 18.606 48.358 32.677 1.00 54.32

797 CZ PHE A 101 1177..222222 4488..448899 32.574 1.00 53.70

798 C PHE A 101 20.772 50.936 37.514 1.00 58.72

799 O PHE A 101 21.378 51.921 37.085 1.00 57.46

800 N GLY A 102 20.858 50.519 38.775 1.00 59.65

801 CA GLY A 102 21.715 51.194 39.727 1.00 60.05

802 C GLY A 102 21.419 52.653 39.994 1.00 60.60

803 0 GLY A 102 22.010 53.536 39.383 1.00 61.79

804 N TYR A 103 20.498 52.885 40.922 1.00 60.68

805 CA TYR A 103 20.085 54.210 41.371 1.00 60.40

806 CB TYR A 103 20.204 55.261 40.256 1.00 60.85

807 CG TYR A 103 19.137 55.246 39.191 1.00 61.45

808 CDl TYR A 103 17.947 55.957 39.358 1.00 62.53

809 CEl TYR A 103 16.982 55.996 38.353 1.00 62.45

810 CD2 TYR A 103 19.335 54.563 37.994 1.00 62.45

811 CE2 TYR A 103 18.379 54.592 36.983 1.00 63.61 812 CZ TYR A 103 17.205 55.311 37.168 1..00 63,.25

813 OH TYR A 103 16.263 55.339 36.166 1. .00 62, .97

814 C TYR A 103 18.658 54.103 41.883 1. .00 60, .18

815 0 TYR A 103 17.854 53.337 41.352 1. .00 61, .18

816 N GLY A 104 18.348 54.865 42.923 1. .00 58, .98

817 C CA GLY A 104 17.024 54.795 43.495 1. .00 57, .05

818 c GLY A 104 16.280 56.099 43.611 1. .00 55, .91

819 0 GLY A 104 16.641 57.105 43.004 1. .00 56, .28

820 N ALA A 105 15.234 56.056 44.426 1. .00 55, .25 821 CA ALA A 105 14.352 57.184 44.666 1. .00 55, .37

822 CB ALA A 105 13.399 56.839 45.791 1. .00 56, .98

823 C ALA A 105 15.016 58.524 44.945 1. .00 55, .04

824 O ALA A 105 14.653 59.528 44.335 1. .00 53, .89

825 N LYS A 106 15.973 58.556 45.866 1.00 55.13 826 CA LYS A 106 16.629 59.820 46.184 1.00 56.47

827 CB LYS A 106 17.566 59.672 47.380 1.00 60.02

828 CG LYS A 106 17.975 61.018 47.988 1.00 63.63

829 CD LYS A 106 18.552 60.845 49.397 1.00 66.38

830 CE LYS A 106 18.765 62.186 50.096 1.00 66.76 831 NZ LYS A 106 19.201 62.003 51.511 1.00 67.05

832 C LYS A 106 17.406 60.318 44.981 1.00 55.45

833 O LYS A 106 17.329 61.493 44.624 1.00 55.02

834 N ASP A 107 18.144 59.417 44.349 1.00 54.36

835 CA ASP A 107 18.911 59.775 43.171 1.00 54.41 836 CB ASP A 107 19.515 58.521 42.558 1.00 53.56

837 CG ASP A 107 20.366 57.757 43.546 1.00 55.95

838 ODl ASP A 107 20.655 56.563 43.309 1.00 57.11

839 OD2 ASP A 107 20.752 58.359 44.570 1.00 56.73

840 C ASP A 107 17.945 60.438 42.200 1.00 56.05 841 O ASP A 107 18.225 61.516 41.657 1.00 55.80

842 N VAL A 108 16.793 59.800 42.005 1.00 55.22

843 CA VAL A 108 15.778 60.332 41.108 1.00 54.74

844 CB VAL A 108 14.605 59.317 40.911 1.00 56.15

845 CGI VAL A 108 13.464 59.963 40.136 1.00 53.36 846 CG2 VAL A 108 15.104 58.087 40.166 1.00 55.56

847 C VAL A 108 15.223 61.659 41.621 1.00 53.94

848 O VAL A 108 15.094 62.602 40.855 1.00 53.64 849 N ARG A 109 14.912 61.737 42.913 1.00 54.33

850 CA ARG A 109 14.351 62.967 43.483 1.00 56.52

851 CB ARG A 109 13.781 62.707 44.888 1.00 56.68

852 CG ARG A 109 12.417 61.999 44.922 1.00 55.63 853 CD ARG A 109 11.788 61.993 46.327 1.00 54.95

854 NE ARG A 109 11.323 63.316 46.748 1.00 56.50

855 CZ ARG A 109 10.304 63.980 46.196 1.00 57.19

856 NHl ARG A 109 9.613 63.456 45.188 1.00 55.76

857 NH2 ARG A 109 9.975 65.186 46.648 1.00 58.21 858 C ARG A 109 15.326 64.143 43.548 1.00 57.64

859 O ARG A 109 14.912 65.306 43.484 1.00 58.15

860 N SER A 110 16.615 63.839 43.676 1.00 57.79

861 CA SER A 110 17.641 64.871 43.752 1.00 58.04

862 CB SER A 110 18.779 64.403 44.656 1.00 59.34 863 OG SER A 110 19.492 63.331 44.055 1.00 61.06

864 C SER A 110 18.201 65.204 42.367 1.00 57.52

865 O SER A 110 19.261 65.823 42.247 1.00 56.97

866 N LEU A 111 17.486 64.788 41.327 1.00 56.13

867 CA LEU A 111 17.908 65.032 39.953 1.00 53.90 868 CB LEU A 111 17.757 66.513 39.604 1.00 53.69

869 CG LEU A 111 16.353 67.113 39.750 1.00 55.07

870 CDl LEU A 111 16.302 68.468 39.046 1.00 53.63

871 CD2 LEU A 111 15.320 66.171 39.140 1.00 53.26

872 C LEU A 111 19.343 64.604 39.694 1.00 52.52 873 0 LEU A 111 20.041 65.228 38.901 1.00 53.06

874 N SER A 112 19.780 63.534 40.353 1.00 52.08

875 CA SER A 112 21.140 63.046 40.177 1.00 51.90

876 CB SER A 112 21.332 61.680 40.837 1.00 51.58

877 OG SER A 112 21.281 60.642 39.869 1.00 48.23 878 C SER A 112 21.424 62.909 38.698 1.00 53.86

879 O SER A 112 20.508 62.738 37.891 1.00 54.06

880 N SER A 113 22.701 62.971 38.346 1.00 55.10

881 CA SER A 113 23.098 62.850 36.957 1.00 56.18

882 CB SER A 113 24.613 63.053 36.807 1.00 57.32 883 OG SER A 113 24.995 64.380 37.139 1.00 60.61

884 C SER A 113 22.710 61.487 36.407 1.00 55.86

885 O SER A 113 21.919 61.392 35.471 1.00 56.01 886 N ARG A 114 23.260 60.434 36.999 1.00 54.27

887 CA ARG A 114 22.992 59.084 36.531 1.00 55.79

888 CB ARG A 114 2233.. ,449900 5588.. .006688 3377.. .555533 11.. .0000 5555.. .9988 889 CG ARG A 114 2233.. ,665577 5566.. .666666 36, .996 11.. .0000 5599.. .1111 890 CD ARG A 114 2244.. .339911 5555.. .779922 37, .999 11.. .0000 6622.. .3344

891 NE ARG A 114 2244.. .772222 5544.. .447722 37, .469 11.. .0000 6666.. .8888

892 CZ ARG A 114 2255.. .333311 53. .517 38, .174 11.. .0000 7700.. .6666 893 NHl ARG A 114 2255.. .667777 53. .738 39, .442 1. .00 71. .31 894 NH2 ARG A 114 2255.. .559966 52. .337 37, .616 1, .00 70. .68 895 C ARG A 114 2211.. .551155 58. .834 36, .230 1. .00 56. .27

896 O ARG A 114 2211.. .116611 58. .443 35, .121 1. .00 55. .99

897 N ALA A 115 2200.. .665555 59. .074 37 .211 1. .00 55. .98

898 CA ALA A 115 1199.. .222277 58. .847 37 .032 1. .00 57. .15

899 CB ALA A 115 1188.. .446688 59. .236 38 .297 1. .00 57. .52 990000 CC ALA A 115 1188.. .666644 59, .599 35 .832 1, .00 56. .98

901 0 ALA A 115 1188.. .112222 58, .984 34 .912 1, .00 56. .05

902 N VAL A 116 1188.. .779933 60, .922 35 .835 1, .00 56. .11

990033 C CA VAL A 116 18. .273 61, .716 34 .729 1, ,00 56. .03

904 CcB: VAL A 116 18, .533 63. .224 34 .933 1. .00 56. .49

905 CcGi I VAL A 116 17, .891 63, .690 36 .240 11.. .0000 5555,. .1199

906 CCGi 2 VAL A 116 20, .028 63, .503 34 .922 11.. .0000 5588.. .4400

907 Cc VAL A 116 18.855 61.290 33.385 1.00 56.23

908 0 VAL A 116 18.332 61.653 32.334 1.00 56.52

909 N ASN A 117 19.938 60.526 33.414 1.00 55.69

910 CA ASN A 117 20.533 60.062 32.171 1.00 57.95

911 CB ASN A 117 21.983 59.605 32.374 1.00 61.71

912 CG ASN A 117 22.917 60.745 32.709 1.00 65.81 913 ODl ASN A 117 22.877 61.806 32.076 1.00 67.12

914 ND2 ASN A 117 23.780 60.530 33.701 1.00 67.78 915 C ASN A 117 19.722 58.876 31.689 1.00 57.09

916 O ASN A 117 19.204 58.863 30.572 1.00 56.49 917 N HIS A 118 19.623 57.873 32.549 1.00 55.71

918 CA HIS A 118 18.886 56.679 32.207 1.00 55.54

919 CB HIS A 118 18.898 55.697 33.369 1.00 56.95 920 CG HIS A 118 18.296 54.376 33.027 1.00 58.73

921 CD2 HIS A 118 18.817 53.297 32.396 1.00 59.60

922 NDl HIS A 118 16.975 54.077 33.271 1.00 57.68 923 CEl HIS A 118 16.707 52.872 32.803 1..00 59..68

924 NE2 HIS A 118 17.807 52.377 32.266 1. .00 59, .65

925 C HIS A 118 17.459 57.022 31.825 1. .00 53. .81

926 0 HIS A 118 16.922 56.476 30.871 1. .00 53. .67

927 N ILE A 119 16.854 57.939 32.564 1. .00 51. .73

928 CA ILE A 119 15.491 58.342 32.272 1. .00 52. .23

929 CB ILE A 119 14.984 59.384 33.288 1. .00 52, .07

930 CG2 ILE A 119 13.655 59.953 32.828 1. .00 50, .59

931 CGI ILE A 119 14.843 58.726 34.665 1. .00 50 .71 932 CDl ILE A 119 14.502 59.678 35.773 1. .00 51 .04

933 C ILE A 119 15.380 58.907 30.862 1. .00 53 , .62

934 0 ILE A 119 14.451 58.565 30.122 1, .00 55 .11

935 N ARG A 120 16.323 59.760 30.474 1, .00 52 .50

936 CA ARG A 120 16.275 60.330 29.133 1. .00 50, .86 937 CB ARG A 120 17.303 61.454 28.986 1. .00 52 .40

938 CG ARG A 120 16.912 62.720 29.734 1. .00 55 .74

939 CD ARG A 120 18.000 63.778 29.674 1. .00 57, .82

940 NE ARG A 120 17.646 64.985 30.419 1. .00 60 .86

941 CZ ARG A 120 16.676 65.832 30.073 1. .00 63 .40 942 NHl ARG A 120 15.944 65.616 28.984 1. .00 62, .87

943 NH2 ARG A 120 16.433 66.902 30.821 1. .00 65 .59

944 C ARG A 120 16.492 59.253 28.076 1. .00 48 .60

945 O ARG A 120 15.911 59.312 26.995 1. .00 46, .92

946 N SER A 121 17.313 58.258 28.389 1. .00 47 .12 947 CA SER A 121 17.556 57.187 27.431 1. .00 47 .11

948 CB SER A 121 18.695 56.278 27.897 1. .00 46, .41

949 OG SER A 121 18.336 55.537 29.052 1, .00 50 .26

950 C SER A 121 16.277 56.373 27.268 1. .00 48 .56

951 O SER A 121 15.853 56.090 26.142 1. .00 48, .70 952 N VAL A 122 15.662 56.003 28.396 1. .00 49 .03

953 CA VAL A 122 14.416 55.228 28.389 1.00 48.33

954 CB VAL A 122 13.863 55.030 29.818 1.00 50.50

955 CGI VAL A 122 12.505 54.344 29.764 1.00 47.79

956 CG2 VAL A 122 14.836 54.217 30.638 1.00 49.33 957 C VAL A 122 13.365 55.970 27.569 1.00 48.37

958 0 VAL A 122 12.656 55.384 26.755 1.00 46.60

959 N TRP A 123 13.274 57.269 27.792 1.00 47.53 960 CA TRP A 123 12.325 58.056 27.052 1.00 49.21

961 CB TRP A 123 12.399 59.506 27.478 1.00 49.36

996622 CG TRP A 123 11.455 60.367 26.726 1.00 50.87

996633 CD2 TRP A 123 10.073 60.563 27.017 1.00 51.72

996644 CE2 TRP A 123 9.578 61.497 26.080 1.00 51.99

996655 CE3 TRP A 123 9.202 60.042 27.984 1.00 50.44

996666 CDl TRP A 123 11.737 61.155 25.650 1.00 51.89

996677 NEl TRP A 123 10.616 61.843 25.256 1.00 52.68

968 CZ2 TRP A 123 8.251 61.923 26.082 1.00 51.91

969 CZ3 TRP A 123 7.885 60.467 27.987 1.00 50.35

997700 CH2 TRP A 123 7.420 61.401 27.041 1.00 50.64

997711 C TRP A 123 12.625 57.945 25.570 1.00 51.26

997722 0 TRP A 123 11.768 57.535 24.787 1.00 51.71

997733 N LYS A 124 13.848 58.304 25.193 1.00 52.08

997744 CA LYS A 124 14.265 58.255 23.793 1.00 53.87

997755 CB LYS A 124 15.775 58.528 23.666 1.00 56.78

976 CG LYS A 124 16.300 58.558 22.223 1.00 58.20

977 CD LYS A 124 17.601 59.373 22.117 1.00 60.91

978 CE LYS A 124 18.221 59.296 20.725 1.00 59.90

997799 NZ LYS A 124 18.771 57.930 20.440 1.00 60.40

998800 C LYS A 124 13.933 56.900 23.197 1.00 52.85

981 0 LYS A 124 13, ,471 56 .798 22, .051 1. .00 52. .79

982 N ASP A 125 14. .154 55. .861 23. .991 1. .00 50. .77

983 CA ASP A 125 13. .881 54 , .508 23 , .549 1, .00 49. .59

984 CB ASP A 125 14, .384 53. .520 24, .584 1. .00 48. .23

985 CG. ASP A 125 14. .035 52. .109 24. .230 1. .00 48. ,72

986 ODl ASP A 125 12, ,851 51 .744 24, .348 1. .00 49. .85

987 OD2 ASP A 125 14, .940 51 .370 23 .817 1 .00 49. .39

988 C ASP A 125 12. .396 54. .257 23. .262 1. .00 49. .52

989 0 ASP A 125 12, .052 53. .445 22. .403 1, .00 48. .97

990 N LEU A 126 11 .518 54 .944 23 .982 1 .00 48. .96

991 CA LEU A 126 10. .084 54. .779 23. .758 1. .00 49. 64

992 CB LEU A 126 9, .277 55. .461 24 , .874 1, .00 50. .94

993 CG LEU A 126 9, .285 54. .739 26. .231 1. .00 51. .54

994 CDl LEU A 126 8. .651 55. .598 27. .305 1. .00 52. 61

995 CD2 LEU A 126 8, .548 53 .420 26 .096 1 .00 51. .34

996 C LEU A 126 9 .708 55 .372 22 .406 1 .00 49, .57 997 0 LEU A 126 8..901 54, .803 21..677 1..00 49..94 998 N LEU A 127 10. .308 56. .512 22. .074 1. .00 49. .25 999 CA LEU A 127 10. .044 57. .182 20. .808 1. .00 48. .53

1000 CB LEU A 127 10. .673 58, .572 20. .789 1. .00 47. .83

1001 CG LEU A 127 10, .222 59, .566 21. .852 1. .00 51. .00

1002 CDl LEU A 127 10, .960 60, .888 21, .669 1. .00 49. .10

1003 CD2 LEU A 127 8, .719 59, .773 21, .745 1. .00 52. .36

1004 C LEU A 127 10, .578 56, .419 19, .616 1. .00 48. .48

1005 O LEU A 127 10. .046 56, .525 18. .520 1. .00 50. .85

1006 N GLU A 128 11. .630 55. .645 19. .812 1. .00 49. .65

1007 CA GLU A 128 12. .203 54. .935 18. .680 1. .00 50. .76

1008 CB GLU A 128 13. .728 54. .989 18. .758 1. .00 53. .14 1009 CG GLU A 128 14. .227 56. .334 19. .259 1. .00 56. .45 1010 CD GLU A 128 15. .633 56, .662 18. .804 1. .00 58. .90 1011 OEl GLU A 128 16. .508 55, .766 18. .810 1. .00 58. .66

1012 OE2 GLU A 128 15. .860 57, .837 18. .450 1. .00 61. .83

1013 C GLU A 128 11. .726 53, .506 18. .524 1. .00 50. .33

1014 O GLU A 128 11. .597 53, .012 17, .405 1. .00 51. .85 1015 N ASP A 129 11, .473 52, .830 19, ,634 1. .00 49. .35 1016 CA ASP A 129 10, .986 51, .461 19, .564 1. .00 47. .31

1017 CB ASP A 129 11, .855 50, .532 20. .401 1. .00 46. .39

1018 CG ASP A 129 11, .331 49 .122 20. .427 1. .00 48. .30

1019 ODl ASP A 129 12, .099 48, .218 20, .800 1. .00 48. .79

1020 OD2 ASP A 129 10, .148 48, .905 20, .089 1. .00 50, .80

1021 C ASP A 129 9, .561 51, .471 20, .081 1. .00 48. .32

1022 O ASP A 129 9, .287 51, .933 21, .188 1. .00 48. .24 1023 N THR A 130 8, .653 50, .951 19, .272 1. .00 47. .88 1024 CA THR A 130 7, .245 50, .943 19, .631 1. .00 45. .90

1025 CB THR A 130 6, .404 51, .646 18, .554 1. .00 45. .38

1026 OGl THR A 130 6, .374 50, .828 17, .375 1. .00 44. .84

1027 CG2 THR A 130 7, .006 52, .995 18, .201 1. .00 45. .80

1028 C THR A 130 6, .674 49, .553 19, .777 1. .00 45. .30 1029 O THR A 130 5, .472 49, .406 19, .891 1. .00 45. .89 1030 N ASP A 131 7, .508 48, .530 19. .793 1. .00 45. .02 1031 CA ASP A 131 6, .944 47, .197 19. .870 1. .00 44. .90

1032 CB ASP A 131 7. .034 46. .526 18. .503 1. .00 47. ,17

1033 CG ASP A 131 6. .638 47. .451 17. .385 1. .00 49. .71 1034 ODl ASP A 131 5..469 47,.871 17..360 1..00 53 ,.52

1035 OD2 ASP A 131 7. .494 47, .768 16. .535 1. .00 52, .22

1036 C ASP A 131 7. .543 46, .269 20. .889 1. .00 45, .44

1037 0 ASP A 131 6. .889 45. .323 21. .308 1. .00 47, .63

1038 N THR A 132 8. .778 46, .515 21. .297 1, ,00 43, .12

1039 CA THR A 132 9. .375 45, .602 22. .235 1. .00 40, .68

1040 CB THR A 132 10. .907 45, .797 22. .305 1, .00 42. .39

1041 OGl THR A 132 11. .430 45, .984 20. .981 1, .00 41, .90

1042 CG2 THR A 132 11. .560 44 .558 22, .898 1, .00 39 .61

1043 C THR A 132 8, .749 45 .701 23, .623 1, .00 40 .38

1044 0 THR A 132 8. .757 46 .752 24 , .259 1, .00 39 .87

1045 N PRO A 133 8, .176 44 .587 24, .100 1 .00 40 .72

1046 CD PRO A 133 8. .039 43 .314 23, .365 1 .00 39 .69

1047 CA PRO A 133 7. .532 44 .506 25, .413 1 .00 41 .40

1048 CB PRO A 133 7. .123 43 .040 25, .508 1 .00 40 .17

1049 CG PRO A 133 6. .878 42 .661 24, .072 1 .00 40 .43

1050 C PRO A 133 8. .507 44 .897 26, .514 1. .00 42 .29

1051 0 PRO A 133 9, .610 44 .365 26, .600 1, .00 43 .83

1052 N ILE A 134 8, .088 45 .841 27, .342 1, .00 42 .85

1053 CA ILE A 134 8, .898 46 .321 28, .438 1, .00 42, .76

1054 CB ILE A 134 8, .440 47 .728 28, .849 1, .00 42, .21

1055 CG2 ILE A 134 9, .095 48, .141 30, .162 1, .00 41, .71

1056 CGI ILE A 134 8, .758 48, .705 27, .713 1, .00 41, .45

1057 CDl ILE A 134 8.309 50.130 27.946 1.00 39.30 1058 C ILE A 134 8.762 45.356 29.606 1.00 44.51 1059 O ILE A 134 7.670 44.922 29.933 1.00 47.24 1060 N GLN A 135 9.881 45.016 30.232 1.00 45.65 1061 CA GLN A 135 9.892 44.081 31.355 1.00 43.80 1062 CB GLN A 135 11.339 43.756 31.716 1.00 48.01 1063 CG GLN A 135 11.507 42.584 32.645 1.00 53.13

1064 CD GLN A 135 11.587 41.268 31.902 1.00 56.89

1065 OEl GLN A 135 12.612 40.946 31.290 1.00 54.17

1066 NE2 GLN A 135 10.499 40.495 31.947 1.00 58.51 1067 C GLN A 135 9.189 44.650 32.583 1.00 39.82 1068 O GLN A 135 9.177 45.859 32.780 1.00 41.06 1069 N THR A 136 8.628 43.773 33.410 1.00 35.97 1070 CA THR A 136 7.940 44.174 34.639 1.00 32.17 1071 CB THR A 136 6.396 44.227 34.471 1.00 31.94

1072 OGl THR A 136 5.906 42.922 34.149 1.00 32.10

1073 CG2 THR A 136 6.001 45.183 33.369 1.00 33.51

1074 C THR A 136 8.216 43.176 35.744 1.00 30.38

1075 O THR A 136 8.607 42.039 35.489 1.00 31.20

1076 N THR A 137 8.002 43.603 36.981 1.00 31.21

1077 CA THR A 137 8.206 42.726 38.123 1.00 31.90

1078 CB THR A 137 9.165 43.348 39.144 1.00 34.60

1079 OGl THR A 137 10.353 43.778 38.474 1.00 38.46

1080 CG2 THR A 137 9.548 42.328 40.211 1.00 30.88

1081 C THR A 137 6.868 42.488 38.800 1.00 33.00 1082 O THR A 137 6.034 43.388 38.892 1.00 35.30 1083 N ILE A 138 6.674 41.265 39.275 1.00 35.99

1084 CA ILE A 138 5.447 40.880 39.951 1.00 36.75

1085 CB ILE A 138 4.764 39.722 39.209 1. .00 36. .88

1086 CG2 ILE A 138 5.707 38.536 39.131 1. .00 36. .06

1087 CGI ILE A 138 3.461 39.338 39.906 1. .00 35. .72

1088 CDl ILE A 138 2.795 38.147 39.263 1. .00 35. .80 1089 C ILE A 138 5.755 40.438 41.371 1. .00 38, .58 1090 O ILE A 138 6.520 39.505 41.587 1. .00 40, .46 1091 N MET A 139 5.157 41.118 42.337 1. .00 40, .11

1092 CA MET A 139 5.355 40.788 43.739 1. .00 41, .95

1093 CB MET A 139 5.970 41.971 44.502 1. .00 43, .88

1094 CG MET A 139 7.368 42.399 44.060 1. .00 44 , .09

1095 SD MET A 139 8.601 41.119 44.336 1. .00 50, .99

1096 CE MET A 139 8.713 41.173 46.154 1. .00 46, .63

1097 C MET A 139 4 . 002 40 . 488 44 . 345 1 . 00 44 . 10

1098 O MET A 139 2 . 960 40 . 806 43 . 763 1 . 00 46 . 03

1099 N ALA A 140 4, .029 39, .879 45 .522 1. .00 44. .02

1100 CA ALA A 140 2 .822 39, .563 46 .258 1. .00 43. .24

1101 CB ALA A 140 2 .963 38, .215 46 .926 1. .00 41. .38

1102 C ALA A 140 2, .713 40, .655 47 .309 1. .00 43. .06

1103 O ALA A 140 3, .631 40, .818 48 .092 1. .00 44 , .72

1104 N LYS A 141 1, .611 41. .404 47. .327 1. .00 45, .33

1105 CA LYS A 141 1, .431 42. .479 48. .316 1. .00 47, .32

1106 CB LYS A 141 0, .189 43. .322 48. .003 1. .00 47 , .92

1107 CG LYS A 141 0. .123 43. .857 46. .586 1. .00 50, .79 1108 CD LYS A 141 0..907 44..970 46..450 1..00 54..06

1109 CE LYS A 141 0. .331 46, .329 46. .838 1. .00 55. .56

1110 NZ LYS A 141 0, .109 46, .411 48. .264 1. .00 57. .53

1111 C LYS A 141 1. .290 41, .921 49. .727 1. .00 48, .29

1112 O LYS A 141 0, .900 40, .766 49. .922 1. .00 49, .56

1113 N ASN A 142 1, .616 42, .739 50, .714 1. .00 48, .23

1114 CA ASN A 142 1. .507 42, .314 52, .101 1. .00 48, .83

1115 CB ASN A 142 2, .883 42. .263 52, .758 1. .00 52, .63

1116 CG ASN A 142 3, .716 41, .107 52, .256 1. .00 57, .11

1117 ODl ASN A 142 4 , .867 40, .941 52, .641 1. .00 60, .60

1118 ND2 ASN A 142 3, .129 40, .295 51, .387 1. .00 59, .89

1119 C ASN A 142 0, .614 43, .281 52, .839 1. .00 48, .10 1120 O ASN A 142 11,. .004466 4444 ,. .335599 53 , .235 1. .00 47, .98 1121 N GLU A 143 ^■ 00,. .664422 4422,. .889900 53 , .015 1. .00 47, .53

1122 CA GLU A 143 1, .598 43, .739 53, .695 1. .00 45, .73

1123 CB GLU A 143 2, .671 44 , .179 52, .703 1. .00 47, .99

1124 CG GLU A 143 2, .095 44 , .492 51, .325 1. .00 51, .37

1125 CD GLU A 143 ^■ 33,..115599 4444,..666699 50,.260 11...0000 5522,..4488

1126 OEl GLU A 143 ^■ 33,..660011 4455,..881166 50,.042 11,..0000 5533...7755

1127 OE2 GLU A 143 - 33,..556600 4433..665555 49,.646 11,..0000 5522,..1155

1128 C GLU A 143 -2.213 42.986 54.870 1.00 44.81

1129 O GLU A 143 -2.344 41.759 54.850 1.00 42.15

1130 N VAL A 144 -2.577 43.735 55.900 1.00 44.16

1131 CA VAL A 144 -3.155 43.146 57.088 1.00 44.92

1132 CB VAL A 144 -2.697 43.904 58.329 1.00 45.81

1133 CGI VAL A 144 -3.321 43.299 59.580 1.00 47.21

1134 CG2 VAL A 144 -1.193 43.857 58.404 1.00 45.38 1135 C VAL A 144 -4.672 43.127 57.047 1.00 44.76 1136 O VAL A 144 -5.310 44.080 56.599 1.00 42.55 1137 N PHE A 145 -5.227 42.016 57.519 1.00 45.39

1138 CA PHE A 145 ^■6.668 41.799 57.574 1.00 45.72

1139 CB PHE A 145 ^■7.131 40.906 56.417 1.00 44.21

1140 CG PHE A 145 ^■6.829 41.451 55.056 1.00 42.02

1141 CDl PHE A 145 ^■5.723 41.009 54.350 1.00 42.23

1142 CD2 PHE A 145 ^■7.664 42.392 54.467 1.00 41.25

1143 CEl PHE A 145 ^■5.449 41.490 53.078 1.00 41.12

1144 CE2 PHE A 145 ^■7.397 42.883 53.188 1.00 42.81 1145 CZ PHE A 145 -6.289 42.431 52.494 1..00 42..13 1146 C PHE A 145 -7.020 41.098 58.884 1. .00 47. .64 1147 O PHE A 145 -6.144 40.792 59.698 1. .00 47, .82 1148 N CYS A 146 -8.310 40.837 59.072 1. .00 50, .40 1149 CA CYS A 146 -8.792 40.151 60.260 1. .00 52, .74

1150 CB CYS A 146 -9.913 40.952 60.918 1. .00 53, .15

1151 SG CYS A 146 -10.563 40.198 62.436 1. .00 58, .57

1152 C CYS A 146 -9.309 38.774 59.861 1. .00 53, .63 1153 O CYS A 146 -10.041 38.637 58.883 1. .00 53 .00 11115544 N VAL A 147 -8.918 37.748 60.606 1, .00 56 .11

1155 CA VAL A 147 -9.382 36.408 60.283 1. .00 60 .58

1156 CB VAL A 147 -8.675 35.322 61.113 1. .00 60 .94

1157 CGI VAL A 147 -9.376 33.980 60.909 1. .00 60 .27

1158 CG2 VAL A 147 -7.213 35.216 60.698 1. .00 60 .10 11115599 C VAL A 147 ^■ 10 . 859 36 . 340 60.584 1. .00 62 .49

1160 O VAL A 147 ^• 11 . 328 36 . 910 61.566 1. .00 63 .56

1161 N GLN A 148 ^■ 11 . 593 35 . 645 59.732 1. .00 65 .25

1162 CA GLN A 148 ^■ 13 . 019 35 . 511 59.926 1. .00 68 .97

1163 CB GLN A 148 13.717 36.812 59.526 1. .00 70 .07 11116644 CG GLN A 148 13.482 37.259 58.090 1. .00 73, .58

1165 CD GLN A 148 13.978 38.678 57.839 1. .00 75 .97

1166 OEl GLN A 148 14.231 39.070 56.696 1. .00 76 .27

1167 NE2 GLN A 148 14.107 39.459 58.912 1. .00 77, .72

1168 C GLN A 148 13.538 34.323 59.122 1. .00 70, .29 1169 O GLN A 148 13.592 34.357 57.887 1. .00 70, .61

1170 N PRO A 149 13.902 33.240 59.829 1. .00 71, .67 1171 CD PRO A 149 • 13 . 647 33.107 61.276 1. .00 71, .51 1172 CA PRO A 149 ^■ 14 . 426 31.980 59.286 1. .00 73, .36 1173 CB PRO A 149 ^■ 14 . 601 31 . 117 60.534 1. .00 72, .31 1174 CG PRO A 149 • 13 . 514 31 . 614 61.434 1. .00 72, .18 1175 C PRO A 149 15.722 32.082 58.470 1. .00 73, .68 1176 O PRO A 149 15.981 31.226 57.619 1. .00 74 , .00 1177 N GLU A 150 -16.535 33.108 58.727 1. .00 74 , .41 1178 CA GLU A 150 -17.791 33.276 57.987 1. .00 75, .66 11117799 CB GLU A 150 -18.440 34.636 58.276 1. .00 75, .39 1180 CG GLU A 150 -18.206 35.171 59.679 1. .00 76. .69 1181 CD GLU A 150 -16.828 35.795 59.830 1. .00 76. .84 1182 OEl GLU A 150 -16.516 36.691 59.015 1.00 78.06

1183 OE2 GLU A 150 -16.068 35.400 60.749 1.00 74.33

1184 C GLU A 150 -17.477 33.181 56.497 1.00 75.65

1185 O GLU A 150 -18.282 32.685 55.707 1.00 76.26

1186 N LYS A 151 -16.296 33.665 56.126 1.00 74.94

1187 CA LYS A 151 -15.853 33.620 54.743 1.00 74.80

1188 CB LYS A 151 -15.051 34.876 54.406 1.00 74.33

1189 CG LYS A 151 -15. .920 36, .078 54. .052 1. .00 73, .66

1190 CD LYS A 151 -16. .926 36, .402 55. .149 1. .00 73, .29 1191 CE LYS A 151 -17. .905 37, .476 54. .695 1. .00 72, .64

1192 NZ LYS A 151 -18, .980 37, .715 55. .705 1, .00 75, .05

1193 C LYS A 151 -15, .013 32, .371 54 , .511 1, .00 75, .23

1194 O LYS A 151 -14, .794 31, .966 53, .371 1, .00 75, .37

1195 N GLY A 152 -14, .549 31, .761 55 .600 1, .00 75, .30 1196 CA GLY A 152 -13, .755 30 .550 55. .488 1, .00 75, .43

1197 C GLY A 152 -12, .257 30, .678 55 .740 1, .00 75, .98

1198 O GLY A 152 -11, .473 29 .870 55 .225 1. .00 76, .52

1199 N GLY A 153 -11, .840 31 .683 56, .510 1, .00 73, .97

1200 CA GLY A 153 -10 .423 31 .819 56 .792 1, .00 71, .73 1201 C GLY A 153 -9, .687 33 .055 56 .300 1, .00 70, .73

1202 O GLY A 153 -10 .088 34 .185 56 .600 1, .00 71, .25

1203 N ARG A 154 -8, .617 32 .836 55 .528 1, .00 66, .93

1204 CA ARG A 154 -7 .767 33 .925 55 .037 1, .00 63, .29

1205 CB ARG A 154 -6, .337 33 .684 55 .510 1. .00 63, .15 1206 CG ARG A 154 -6, .205 33 .561 57 .015 1, .00 62, .77

1207 CD ARG A 154 -5 .442 32 .308 57 .407 1, .00 63, .31

1208 NE ARG A 154 -5, .140 32 .289 58, .837 1, .00 64 , .39

1209 CZ ARG A 154 -4, .356 33 .178 59, .443 1, .00 64 , .63

1210 NHl ARG A 154 -3, ,793 34 .156 58, .742 1, .00 65, .76 1211 NH2 ARG A 154 -4, .135 33 .094 60, .751 1, .00 63. .83

1212 C ARG A 154 -7, .735 34 , .246 53, .543 1, .00 60, .54

1213 O ARG A 154 -7, .792 33, .367 52, .679 1. .00 59, .30

1214 N LYS A 155 -7, .611 35 .537 53, .260 1. .00 56, .82

1215 CA LYS A 155 -7, .554 36, .036 51, .893 1. .00 55, .01 1216 CB LYS A 155 -7, .962 37, .509 51, .865 1. .00 55, .54

1217 CG LYS A 155 -9, .048 37, .862 52, .869 1. .00 57, .14

1218 CD LYS A 155 -9, .178 39. .365 53 , .047 1. .00 58, .85 1219 CE LYS A 155 -9..860 40..019 51..854 1..00 61..77

1220 NZ LYS A 155 -11. .310 39. .653 51. .762 1. ,00 64. .35

1221 C LYS A 155 -6. .127 35. .913 51. .361 1. .00 52. .35

1222 0 LYS A 155 -5. .166 36. .252 52. .060 1. .00 50. .23

1223 N PRO A 156 -5. .965 35. .389 50. .133 1. .00 49. .82

1224 CD PRO A 156 -6. .910 34. .568 49. .360 1. .00 49. .86

1225 CA PRO A 156 -4. .616 35. .266 49. .576 1. ,00 48. .38

1226 CB PRO A 156 -4. .837 34. .455 48. .304 1. .00 47. .84

1227 CG PRO A 156 -5. .980 33 .596 48, .661 1. .00 49. .14

1228 C PRO A 156 -4. .073 36 .663 49, .288 1. .00 47, .05

1229 0 PRO A 156 -4. .825 37 .634 49, .192 1. .00 46, .02

1230 N ALA A 157 -2 .761 36 .768 49, .159 1. .00 48, .14

1231 CA ALA A 157 -2 .136 38 .055 48, .904 1. .00 46, .97

1232 CB ALA A 157 -0 .628 37 .903 48, .949 1. .00 47, .78

1233 C ALA A 157 -2. .553 38 .626 47, .562 1. .00 46, .27

1234 0 ALA A 157 -2 .899 37 .892 46, .639 1. .00 47, ,91

1235 N ARG A 158 -2 .540 39 .943 47, .458 1. .00 45, .16

1236 CA ARG A 158 -2 .860 40 .571 46, .192 1. .00 47, .67

1237 CB ARG A 158 -3 .404 41 .982 46, .413 1. .00 48, .95

1238 CG ARG A 158 -4 .758 42 .002 47, .094 1. .00 51, .91

1239 CD ARG A 158 -5 .565 43 .204 46, .648 1. .00 55, .27

1240 NE ARG A 158 -5. .082 44 .458 47, .217 1. .00 58, .32

1241 CZ ARG A 158 -5. .284 45 .650 46, .661 1. .00 60, .72

1242 NHl ARG A 158 -5, .952 45 .739 45, .517 1, .00 60. .76

1243 NH2 ARG A 158 -4 , .838 46 .753 47, .255 1. .00 60. .06

1244 C ARG A 158 -1. .553 40. .625 45, .404 1. .00 46. .76

1245 0 ARG A 158 -0. .473 40 .468 45. .973 1. .00 47. .87

1246 N LEU A 159 -1, .644 40. .825 44. .098 1. .00 45. .30

1247 CA LEU A 159 -0. .449 40, .903 43. .279 1. .00 42. .76

1248 CB LEU A 159 -0, .552 39, .969 42. .086 1. .00 41. .23

1249 CG LEU A 159 -0. .772 38, .512 42. .459 1. .00 42. .88

1250 CDl LEU A 159 -0. .594 37. .645 41. .230 1. .00 42. .75

1251 CD2 LEU A 159 0, .223 38, .114 43. .540 1. .00 44. .27

1252 C LEU A 159 -0. .266 42, .318 42. .786 1. .00 44. .31

1253 0 LEU A 159 -1, .238 43, .067 42. .641 1. .00 44. .56

1254 N ILE A 160 0 .985 42 .683 42. .536 1. .00 42. .68

1255 CA ILE A 160 1. .302 44 .009 42. .045 1. .00 42. .67 1256 CB ILE A 160 1.895 44.877 43.182 1.00 42.48

1257 CG2 ILE A 160 3.126 44.215 43.755 1.00 44.64

1258 CGI ILE A 160 2.193 46.285 42.676 1.00 43.82 1259 CDl ILE A 160 0.945 47.062 42.260 1.00 43.07 1260 C ILE A 160 2.292 43.838 40.888 1.00 42.97 1261 O ILE A 160 3.358 43.242 41.044 1.00 43.85 1262 N VAL A 161 1.912 44.321 39.712 1.00 41.34 1263 CA VAL A 161 2.767 44.208 38.543 1.00 41.68 1264 CB VAL A 161 2.011 43.530 37.393 1.00 39.94 11226655 CGI VAL A 161 2.881 43.448 36.161 1.00 40.29

1266 CG2 VAL A 161 1.603 42.137 37.821 1.00 40.40

1267 C VAL A 161 3.215 45.612 38.157 1.00 41.43

1268 O VAL A 161 2.385 46.479 37.884 1.00 41.66 1269 N PHE A 162 4.529 45.833 38.148 1.00 38.69 1270 CA PHE A 162 5.077 47.162 37.845 1.00 38.50

1271 CB PHE A 162 5.340 47.902 39.152 1.00 39.61

1272 CG PHE A 162 6.226 47.137 40.093 1.00 42.12

1273 CDl PHE A 162 7.575 47.456 40.220 1.00 43.14 1274 CD2 PHE A 162 5.735 46.017 40.767 1.00 41.82

1275 CEl PHE A 162 8.424 46.663 40.995 1.00 43.77

1276 CE2 PHE A 162 6.575 45.21 41.544 1.00 41.69

1277 CZ PHE A 162 7.921 45.538 41.656 1.00 43.82 1278 C PHE A 162 6.370 47.149 37.037 1.00 37.25 1279 O PHE A 162 7.114 46.162 37.026 1.00 36.77 11228800 N PRO A 163 6.639 48.249 36.326 1.00 37.05

1281 CD PRO A 163 5.608 49.217 35.924 1.00 34.75

1282 CA PRO A 163 7.837 48.417 35.501 1.00 37.53

1283 CB PRO A 163 7.335 49.286 34.353 1.00 37.34 1284 CG PRO A 163 6.377 50.169 35.036 1.00 34.66 11228855 C PRO A 163 8.962 49.093 36.298 1.00 37.69 1286 O PRO A 163 8.742 49.585 37.402 1.00 37.87 1287 N ASP A 164 10.164 49.121 35.726 1.00 40.24

1288 CA ASP A 164 11.308 49.723 36.389 1.00 38.20

1289 CB ASP A 164 12.578 49.467 35.584 1.00 41.19 1290 CG ASP A 164 13.816 50.051 36.252 1.00 43.45

1291 ODl ASP A 164 14.158 51.225 35.981 1.00 43.21

1292 OD2 ASP A 164 14.425 49.336 37.070 1.00 42.13 1293 C ASP A 164 11..136 51.218 36..618 1,.00 38..23

1294 0 ASP A 164 10. .446 51 .905 35. .866 1, .00 40. .08

1295 N LEU A 165 11, .771 51 .708 37. .675 1 .00 37. .52

1296 CA LEU A 165 11, .713 53 .114 38, .043 1 .00 37, .47

1297 CB LEU A 165 12. .779 53 .405 39, .101 1 .00 37, .16

1298 CG LEU A 165 12. .814 54 .826 39, .660 1 .00 39, .81

1299 CDl LEU A 165 11, .442 55 .205 40, .220 1 .00 36, .54

1300 CD2 LEU A 165 13. .883 54, .909 40. .741 1, .00 38. .98

1301 C LEU A 165 11, .918 54, .026 36. .837 1 , .00 37. .77

1302 0 LEU A 165 11, .222 55, .037 36. .680 1, .00 37. .70

1303 N GLY A 166 12, .878 53, .664 35. .988 1, .00 36, .85

1304 CA GLY A 166 13, .149 54, .466 34. .813 1, .00 36. .14

1305 C GLY A 166 11, .863 54 .698 34 , .053 1, .00 37. .49

1306 0 GLY A 166 11, .471 55 .838 33 , .788 1, .00 39. .45

1307 N VAL A 167 11.200 53.600 33.714 1.00 37.25

1308 CA VAL A 167 9.943 53.652 32.994 1.00 38.83

1309 CB VAL A 167 9.378 52.239 32.786 1.00 39.05

1310 CGI VAL A 167 8.079 52.308 32.006 1.00 36.59

1311 CG2 VAL A 167 10.399 51.382 32.061 1.00 37.91

1312 C VAL A 167 8.902 54.489 33.734 1.00 40.28

1313 O VAL A 167 8.305 55.401 33.150 1.00 41.45

1314 N ARG A 168 8.697 54.185 35.016 1.00 39.44

1315 CA ARG A 168 7.705 54.895 35.819 1.00 39.49

1316 CB ARG A 168 7.827 54.530 37.299 1.00 40.55

1317 CG ARG A 168 7.571 53.076 37.622 1.00 39.31

1318 CD ARG A 168 7.009 52.934 39.039 1.00 40.00

1319 NE ARG A 168 7.989 53.108 40.114 1.00 37.86

1320 CZ ARG A 168 9.015 52.286 40.331 1.00 35.70

1321 NHl ARG A 168 9.848 52.513 41.337 1.00 33.00

1322 NH2 ARG A 168 9.213 51.240 39.537 1.00 32.16

1323 C ARG A 168 7.781 56.404 35.685 1.00 40.65

1324 O ARG A 168 6.753 57.080 35.690 1.00 41.51

1325 N VAL A 169 8.992 56.941 35.571 1.00 41.01

1326 CA VAL A 169 9.136 58.387 35.443 1.00 42.17

1327 CB VAL A 169 10.599 58.839 35.644 1.00 43.54

1328 CGI VAL A 169 10.680 60.349 35.555 1.00 42.09

1329 CG2 VAL A 169 11.116 58.368 36.997 1.00 44.11 1330 C VAL A 169 8,.656 58..841 34..067 1..00 42..35

1331 0 VAL A 169 8. .051 59. .912 33. .919 1. .00 41. .16

1332 N CYS A 170 8. .923 58. .017 33. .061 1. .00 41. .60

1333 CA CYS A 170 8, .495 58. .345 31. .715 1. .00 42. .63

1334 CB CYS A 170 9. .018 57. .313 30. .721 1. .00 45. .57

1335 SG CYS A 170 10. .771 57. .522 30. .329 1. .00 49. .94

1336 C CYS A 170 6, .979 58. .398 31. .680 1. .00 42. .78

1337 0 CYS A 170 6. .401 59. .314 31. .089 1. .00 42. .84

1338 N GLU A 171 6. .341 57. .419 32. .319 1. .00 42, .52

1339 CA GLU A 171 4. .890 57. .391 32. .381 1. .00 42, .48

1340 CB GLU A 171 4. .392 56. .294 33. .346 1, .00 44 , .77

1341 CG GLU A 171 4. .326 54. .890 32. .744 1. .00 42. .81

1342 CD GLU A 171 3, .702 53. .857 33. .680 1. .00 42. .67

1343 OEl GLU A 171 4. .421 53, .302 34. .538 1. .00 38. .41

1344 OE2 GLU A 17i 2, .483 53 , .602 33. .554 1. .00 40, .83

1345 C GLU A 171 4 , .444 58, .755 32. .877 1. .00 41, .35

1346 0 GLU A 171 3, .637 59, .429 32. .236 1. .00 41, .71

1347 N LYS A 172 4 , .988 59. .178 34. .010 1, .00 41, .36

1348 CA LYS A 172 4 , .605 60. .472 34. .566 1, .00 42, .76

1349 CB LYS A 172 5 .481 60, .824 35, .770 1, .00 43, .12

1350 CG LYS A 172 5 .240 59, .951 36, .984 1. .00 41. .79

1351 CD LYS A 172 6 .202 60, .270 38. .088 1. .00 41. .51

1352 CE LYS A 172 5, .833 59, .558 39. .378 1. .00 44 , .70

1353 NZ LYS A 172 5, .813 58, .075 39. .245 1. .00 47. .05

1354 C LYS A 172 4 , .705 61. .577 33. .529 1, .00 44 , .13

1355 0 LYS A 172 3, .764 62. .344 33. .334 1. .00 45, .36

1356 N MET A 173 5, .846 61. .646 32. .850 1. .00 45, .34

1357 CA MET A 173 6, .064 62. .681 31. .845 1. .00 46, .05

1358 CB MET A 173 7, .466 62, .553 31. .257 1. .00 48, .05

1359 CG MET A 173 8, .564 62, .829 32. .262 1. .00 51. .31

1360 SD MET A 173 10, .194 62, .768 31. .513 1. .00 55. .19

1361 CE MET A 173 10, .405 60, .996 31. .319 1. .00 52. .60

1362 C MET A 173 5, .048 62, .680 30. .713 1. .00 45. .06

1363 0 MET A 173 4 , .579 63 , .734 30. .287 1. .00 45. .32

1364 N ALA A 174 4 , .698 61. .495 30. .235 1. .00 42. .14

1365 CA ALA A 174 3, .769 61. .391 29. .130 1. .00 40. .69

1366 CB ALA A 174 4. .151 60. .207 28. .267 1. .00 40. .76 1367 C ALA A 174 2.298 61.287 29.490 1.00 42.00 1368 O ALA A 174 1.454 61.541 28.645 1.00 41.39 1369 N LEU A 175 1.973 60.930 30.728 1.00 41.62

1370 CA LEU A 175 0.566 60.760 31.055 1.00 42.47

1371 CB LEU A 175 0.229 59.273 30.974 1.00 41.88

1372 CG LEU A 175 0.011 58.746 29.557 1.00 40.63

1373 CDl LEU A 175 0.099 57.225 29.534 1.00 38.12

1374 CD2 LEU A 175 ■1.344 59.238 29.065 1.00 37.67

1375 C LEU A 175 0.009 61.334 32.349 1.00 43.13 11337766 OO LEU A 175 -1.190 61.236 32.598 1.00 43.00

1377 N TYR A 176 0.861 61.936 33.166 1.00 45.06

1378 CA TYR A 176 0.412 62.510 34.423 1.00 46.39

1379 CB TYR A 176 1.572 63.168 35.156 1.00 47.28

1380 CG TYR A 176 1.151 63.727 36.485 1.00 48.23

1381 CDl TYR A 176 1.076 62.910 37.609 1.00 48.27

1382 CEl TYR A 176 0.611 63.401 38.823 1.00 48.18

1383 CD2 TYR A 176 0.752 65.058 36.604 1.00 48.97

1384 CE2 TYR A 176 0.284 65.560 37.810 1.00 49.51

1385 CZ TYR A 176 0.217 64.726 38.915 1.00 49.39 11338866 OH TYR A 176 ^•0.243 65.223 40.113 1.00 51.41 1387 C TYR A 176 ^■0.698 63.545 34.256 1.00 48.09 1388 O TYR A 176 ^■1.645 63.579 35.041 1.00 50.28 1389 N ASP A 177 ^■0.582 64.393 33.243 1.00 48.61

1390 CA ASP A 177 ^■1.586 65.430 33.016 1.00 49.44 1391 CB ASP A 177 ^■1.082 66.444 31.996 1.00 52.36

1392 CG ASP A 177 ^■1.706 67.808 32.183 1.00 56.49

1393 ODl ASP A 177 ^■1.648 68.623 31.236 1.00 60.33 1394 OD2 ASP A 177 •2.241 68.068 33.286 1.00 58.65 1395 C ASP A 177 2.890 64.832 32.511 1.00 48.33 1396 O ASP A 177 3, .986 6655.. .331100 32.826 1.00 46.73 1397 N VAL A 178 2 .755 63 , .780 31.718 1.00 46.49

1398 CA VAL A 178 3 .906 63 , .101 31.152 1.00 45.13

1399 CB VAL A 178 3 .455 62. .014 30.154 1.00 45.64

1400 CGI VAL A 178 -4.659 61.365 29.496 1.00 45.28 1401 CG2 VAL A 178 -2.547 62.633 29.104 1.00 46.30

1402 C VAL A 178 -4.744 62.453 32.249 1.00 44.83

1403 O VAL A 178 -5.944 62.710 32.370 1.00 43.24 1404 N VAL A 179 -4.097 61.630 33.062 1.00 43.86

1405 CA VAL A 179 -4.789 60.919 34.121 1.00 43.34

1406 CB VAL A 179 -3.909 59.803 34.689 1.00 41.26

1407 CGI VAL A 179 -3.451 58.898 33.556 1.00 37.74 1408 CG2 VAL A 179 -2.737 60.399 35.441 1.00 39.72

1409 C VAL A 179 -5.262 61.805 35.258 1.00 45.78

1410 0 VAL A 179 -5.949 61.337 36.166 1.00 46.88

1411 N SER A 180 -4.899 63.082 35.214 1.00 46.11

1412 CA SER A 180 -5.319 64.007 36.253 1.00 46.89 1413 CB SER A 180 -4.127 64.824 36.737 1.00 46.75

1414 OG SER A 180 -3.073 63.973 37.136 1.00 48.94

1415 C SER A 180 -6.393 64.943 35.719 1.00 48.11

1416 0 SER A 180 -6.958 65.751 36.463 1.00 48.62

1417 N THR A 181 -6.685 64.814 34.429 1.00 49.83 1418 CA THR A 181 -7.665 65.674 33.786 1.00 51.79

1419 CB THR A 181 -6.938 66.754 32.964 1.00 54.28

1420 OGl THR A 181 -6.118 67.536 33.842 1.00 56.09

1421 CG2 THR A 181 -7.939 67.668 32.269 1.00 55.44

1422 C THR A 181 -8.686 64.968 32.889 1.00 51.26 1423 O THR A 181 -9.863 65.325 32.890 1.00 52.66

1424 N LEU A 182 8.243 63.974 32.127 1.00 50.23

1425 CA LEU A 182 9.135 63.254 31.222 1.00 49.54

1426 CB LEU A 182 ^•8.360 62.143 30.503 1.00 45.96

1427 CG LEU A 182 ^■9.166 61.398 29.444 1.00 45.56 1428 CDl LEU A 182 -9.676 62.380 28.408 1.00 45.70

1429 CD2 LEU A 182 -8.311 60.338 28.792 1.00 46.78

1430 C LEU A 182 ^■10.400 62.666 31.875 1.00 50.43

1431 0 LEU A 182 ^•11.508 62.829 31.356 1.00 51.26

1432 N PRO A 183 •10.250 61.974 33.019 1.00 52.41 1433 CD PRO A 183 -8.997 61.673 33.734 1.00 53.35

1434 CA PRO A 183 -11.388 61.371 33.718 1.00 51.65

1435 CB PRO A 183 ^•10.776 60.919 35.036 1.00 52.54

1436 CG PRO A 183 -9.407 60.530 34.629 1.00 53.56

1437 C PRO A 183 ^■12.599 62.279 33.925 1.00 50.86 1438 O PRO A 183 ^■13.668 62.019 33.370 1.00 48.83

1439 N GLN A 184 ^■12.449 63.335 34.720 1.00 49.86

1440 CA GLN A 184 ^■13.587 64.211 34.945 1.00 50.69 1441 CB GLN A 184 ■13.247 65.349 35.907 1.00 53.73

1442 CG GLN A 184 ^•14.388 66.366 36.045 1.00 58.12

1443 CD GLN A 184 •14.180 67.325 37.194 1.00 61.63

1444 OEl GLN A 184 14.813 68.385 37.262 1.00 64.73

1445 NE2 GLN A 184 13.296 66.957 38.118 1.00 62.30

1446 C GLN A 184 14.105 64.787 33.641 1.00 49.67

1447 O GLN A 184 15.295 65.065 33.509 1.00 49.57 1448 N ALA A 185 13.218 64.952 32.671 1.00 48.19

1449 CA ALA A 185 -13.617 65.501 31.390 1.00 48.91

1450 CB ALA A 185 -12.404 65.668 30.505 1.00 50.53

1451 C ALA A 185 -14.648 64.631 30.689 1.00 50.28 1452 O ALA A 185 -15.649 65.130 30.165 1.00 51.66 1453 N VAL A 186 -14.409 63.326 30.683 1.00 48.91 1454 CA VAL A 186 -15.307 62.404 30.009 1.00 49.34

1455 CB VAL A 186 ^■14.549 61.128 29.604 1.00 49.06

1456 CGI VAL A 186 ^■15.485 60.157 28.916 1.00 48.48

1457 CG2 VAL A 186 •13.386 61.490 28.702 1.00 46.36

1458 C VAL A 186 ^■16.572 61.993 30.767 1.00 50.85 1459 O VAL A 186 ^■17.646 61.896 30.168 1.00 51.41 1460 N MET A 187 -16.458 61.766 32.074 1.00 51.07 1461 CA MET A 187 -17.606 61.314 32.863 1.00 51.75 1462 CB MET A 187 -17.246 59.993 33.562 1.00 52.83 1463 CG MET A 187 -15.791 59.870 33.960 1.00 56.07 1464 SD MET A 187 -15.250 58.149 34.187 1.00 59.63 1465 CE MET A 187 -14.953 57.680 32.533 1.00 58.73 1466 C MET A 187 -18.263 62.270 33.863 1.00 49.73 1467 O MET A 187 -19.214 61.893 34.540 1.00 49.73 1468 N GLY A 188 -17.773 63.499 33.949 1.00 47.88

1469 CA GLY A 188 ^■18.359 64.463 34.862 1.00 46.13

1470 C GLY A 188 ^■18.655 63.950 36.260 1.00 46.55

1471 O GLY A 188 ^■17.816 63.309 36.885 1.00 47.34 1472 N SER A 189 ^■19.860 64.236 36.746 1.00 45.44 1473 CA SER A 189 ^■20.290 63.839 38.082 1.00 43.15 1474 CB SER A 189 ^■21.739 64.249 38.294 1.00 43.00

1475 OG SER A 189 ^■22.520 63.896 37.170 1.00 42.27

1476 C SER A 189 -20.133 62.362 38.392 1.00 44.21

1477 O SER A 189 -20.059 61.983 39.556 1.00 46.19 1478 N SER A 190 20.091 61.520 37.367 1.00 42.52

1479 CA SER A 190 19.914 60.094 37.605 1.00 42.89

1480 CB SER A 190 -20.224 59.282 36.345 1.00 44.71

1481 OG SER A 190 -21.549 59.515 35.899 1.00 52.03 1482 C SER A 190 -18.489 59.773 38.054 1.00 42.36

1483 O SER A 190 -18.242 58.688 38.587 1.00 42.69

1484 N TYR A 191 -17.553 60.699 37.838 1.00 40.03

1485 CA TYR A 191 -16.163 60.458 38.228 1.00 40.77

1486 CB TYR A 191 -15.195 61.302 37.388 1.00 38.99 1487 CG TYR A 191 -13.734 61.029 37.699 1.00 39.55

1488 CDl TYR A 191 -13.207 59.750 37.575 1.00 39.03

1489 CEl TYR A 191 -11.882 59.486 37.869 1.00 38.58

1490 CD2 TYR A 191 -12.884 62.054 38.128 1.00 40.89

1491 CE2 TYR A 191 -11.553 61.803 38.425 1.00 38.03 1492 CZ TYR A 191 ^■11.057 60.514 38.295 1.00 39.77

1493 OH TYR A 191 -9.743 60.240 38.607 1.00 39.46

1494 C TYR A 191 15.941 60.728 39.707 1.00 40.79

1495 O TYR A 191 ^■15.830 61.876 40.135 1.00 42.36

1496 N GLY A 192 ■15.857 59.647 40.475 1.00 41.68 1497 CA GLY A 192 ^■15.696 59.739 41.918 1.00 42.88

1498 C GLY A 192 ^■14.540 60.497 42.546 1.00 43.77

1499 O GLY A 192 ■14.732 61.242 43.508 1.00 45.52

1500 N PHE A 193 -13.338 60.330 42.014 1.00 43.82

1501 CA PHE A 193 -12.177 60.982 42.608 1.00 43.70 1502 CB PHE A 193 ^■10.901 60.442 41.962 1.00 39.31

1503 CG PHE A 193 ^■10.719 58.956 42.138 1.00 33.67

1504 CDl PHE A 193 ^■10.966 58.084 41.095 1.00 31.64

1505 CD2 PHE A 193 •10.304 58.431 43.356 1.00 34.21

1506 CEl PHE A 193 ^■10.802 56.704 41.256 1.00 31.07 1507 CE2 PHE A 193 ^■10.137 57.046 43.526 1.00 32.06

1508 CZ PHE A 193 ^•10.390 56.184 42.468 1.00 26.42

1509 C PHE A 193 ^■12.156 62.513 42.650 1.00 45.36

1510 O PHE A 193 ^■11.250 63.099 43.247 1.00 47.14

1511 N GLN A 194 ^■13.156 63.159 42.055 1.00 44.82 1512 CA GLN A 194 ^■13.232 64.623 42.070 1.00 45.38

1513 CB GLN A 194 14.090 65.131 40.913 1.00 46.40

1514 CG GLN A 194 ^■15.584 64.814 41.077 1.00 47.15 1515 CD GLN A 194 -16.420 65.237 39.883 1.00 47.36

1516 OEl GLN A 194 -16.686 66.423 39.678 1.00 45.70

1517 NE2 GLN A 194 -16.836 64.261 39.082 1.00 47.51

1518 C GLN A 194 -13.872 65.106 43.370 1.00 47.33 1519 0 GLN A 194 -13.951 66.312 43.631 11..0000 4499..2288

1520 N TYR A 195 14.332 64.163 44.185 1.00 46.35

1521 CA TYR A 195 15.002 64.508 45.424 1.00 44.16

1522 CB TYR A 195 -16.329 63.757 45.527 1.00 43.07

1523 CG TYR A 195 -17.245 6633..991111 44.341 1.00 41.52 1524 CDl TYR A 195 -17.626 62.801 43.595 1.00 42.03

1525 CEl TYR A 195 -18.498 62.923 42.516 1.00 45.44

1526 CD2 TYR A 195 -17.757 6655..1155*8 43.981 1.00 41.91

1527 CE2 TYR A 195 ^■18.631 65.297 42.902 1.00 43.16

1528 CZ TYR A 195 ^■19.000 64.173 42.173 1.00 44.77 1529 OH TYR A 195 ^■19.860 64.286 41.105 1.00 44.49

1530 C TYR A 195 ^■14.213 64.225 46.680 1.00 44.00

1531 0 TYR A 195 ^■13.430 63.281 46.750 1.00 45.32

1532 N SER A 196 ^■14.436 65.061 47.681 1.00 45.02

1533 CA SER A 196 •13.809 64.878 48.977 1.00 46.69 1534 CB SER A 196 ^■13.458 66.230 49.602 1.00 45.41

1535 OG SER A 196 ^■14.611 67.028 49.757 1.00 47.21

1536 C SER A 196 ^■14.909 64.177 49.779 1.00 47.33

1537 0 SER A 196 ^■16.062 64.128 49.345 1.00 47.73

1538 N PRO A 197 •14.573 63.616 50.943 1.00 48.64 1539 CD PRO A 197 -13.288 63.645 51.660 1.00 48.48

1540 CA PRO A 197 ^■15.600 62.936 51.734 1.00 48.10

1541 CB PRO A 197 -14.948 62.829 53.101 1.00 49.30

1542 CG PRO A 197 -13.508 62.615 52.747 1.00 49.39

1543 C PRO A 197 -16.927 63.699 51.768 1.00 48.88 1544 O PRO A 197 -17.968 63.174 51.380 1.00 48.65

1545 N LYS A 198 -16.864 64.946 52.217 1.00 50.42

1546 CA LYS A 198 -18.023 65.822 52.318 1.00 51.15

1547 CB LYS A 198 -17.552 67.227 52.706 1.00 54.24

1548 CG LYS A 198 -18.654 68.184 53.059 1.00 57.00 1549 CD LYS A 198 -18.109 69.472 53.659 1.00 58.59

1550 CE LYS A 198 -19.254 70.309 54.277 1.00 61.11

1551 NZ LYS A 198 -19.980 69.620 55.412 1.00 59.59 1552 C LYS A 198 -18.793 65.883 51.004 1.00 51.21

1553 O LYS A 198 -20.019 65.924 50.987 1.00 51.39

1554 N GLN A 199 -18.055 65.898 49.901 1.00 53.69

1555 CA GLN A 199 -18.644 65.963 48.568 1.00 53.25 1556 CB GLN A 199 -17.581 66.396 47.557 1.00 55.52

1557 CG GLN A 199 -17.298 67.893 47.554 1.00 58.83

1558 CD GLN A 199 -15.991 68.238 46.868 1.00 60.50

1559 OEl GLN A 199 -14.914 68.058 47.438 1.00 61.27

1560 NE2 GLN A 199 •16.077 68.720 45.633 1.00 61.18 1561 C GLN A 199 ^■19.272 64.645 48.122 1.00 52.26

1562 O GLN A 199 -20.340 64.639 47.514 1, .00 50. .88

1563 N ARG A 200 -18.611 63.529 48.415 1, .00 51, .46

1564 CA ARG A 200 -19.150 62.234 48.022 1, .00 50. .59

1565 CB ARG A 200 -18.159 61.105 48.354 1. .00 47. .01 1566 CG ARG A 200 -18.451 59.781 47.630 1, .00 42. .67

1567 CD ARG A 200 -17.453 58.681 48.011 1 .00 38 .35

1568 NE ARG A 200 -17.907 57.367 47.575 1. .00 35. .03

1569 CZ ARG A 200 -17.790 56.894 46.342 1, .00 38. .39

1570 NHl ARG A 200 -17.219 57.625 45.392 1 .00 38. .97 1571 NH2 ARG A 200 -18.253 55.685 46.056 1. .00 37. .28

1572 C ARG A 200 -20.479 62.023 48.754 1 .00 51. .27

1573 0 ARG A 200 -21.487 61.677 48.133 1 .00 50, .67

1574 N VAL A 201 -20.479 62.241 50.068 1, .00 51. .55

1575 CA VAL A 201 -21.691 62.093 50.867 1 .00 51, .67 1576 CB VAL A 201 -21.466 62.549 52.319 1. .00 52, .34

1577 CGI VAL A 201 -22.791 62.648 53.045 1. .00 53, .19

1578 CG2 VAL A 201 -20.568 61.566 53.033 1. .00 51. .73

1579 C VAL A 201 -22.799 62.940 50.249 1. .00 52, .60

1580 O VAL A 201 -23.877 62.437 49.937 1, .00 54. .35 1581 N GLU A 202 -22.532 64.224 50.062 1. .00 51. .44

1582 CA GLU A 202 -23.523 65.105 49.467 1 .00 52, .81

1583 CB GLU A 202 -22.950 66.528 49.305 1. .00 55. .09

1584 CG GLU A 202 -23.802 67.468 48.415 1.00 59.59

1585 CD GLU A 202 -23.272 68.912 48.336 1.00 62.15 1586 OEl GLU A 202 -22.056 69.108 48.100 1.00 63.53

1587 OE2 GLU A 202 -24.080 69.856 48.497 1.00 62.99

1588 C GLU A 202 -24.002 64.579 48.107 1.00 51.81 1589 O GLU A 202 -25.192 64.665 47.782 1.00 52.63

1590 N PHE A 203 -23.093 64.028 47.310 1.00 47.97

1591 CA PHE A 203 -23.491 63.545 45.994 1.00 45.74

1592 CB PHE A 203 -22.271 63.256 45.131 1.00 43.79 1593 CG PHE A 203 -22.614 62.887 43.722 1.00 44.92

1594 CDl PHE A 203 -22.498 61.575 43.283 1.00 44.64

1595 CD2 PHE A 203 -23.067 63.853 42.832 1.00 43.32

1596 CEl PHE A 203 -22.825 61.230 41.974 1.00 44.63

1597 CE2 PHE A 203 -23.396 63.518 41.522 1.00 44.20 1598 CZ PHE A 203 -23.274 62.201 41.090 1.00 43.42

1599 C PHE A 203 -24.389 62.317 46.045 1.00 43.93 1600 O PHE A 203 ^■25.371 62.222 45.310 1.00 42.54 1601 N LEU A 204 -24.049 61.373 46.907 1.00 43.79 1602 CA LEU A 204 -24.861 60.172 47.045 1.00 43.25 1603 CB LEU A 204 -24.183 59.195 48.002 1.00 40.79

1604 CG LEU A 204 -22.833 58.636 47.553 1.00 38.66

1605 CDl LEU A 204 -22.131 57.977 48.722 1.00 31.99

1606 CD2 LEU A 204 -23.050 57.648 46.426 1.00 38.85

1607 C LEU A 204 -26.248 60.565 47.582 1.00 43.75 1608 O LEU A 204 -27.274 60.294 46.950 1.00 44.39

1609 N VAL A 205 -26.270 61.223 48.736 1.00 43.25

1610 CA VAL A 205 -27.529 61.634 49.344 1.00 44.93

1611 CB VAL A 205 ^■27.286 62.545 50.557 1.00 44.15

1612 CGI VAL A 205 -28.610 62.916 51.191 1.00 44.63 1613 CG2 VAL A 205 -26.415 61.833 51.565 1.00 43.95

1614 C VAL A 205 -28.461 62.355 48.374 1.00 45.47 1615 O VAL A 205 -29.609 61.950 48.194 1.00 46.20 1616 N ASN A 206 -27.964 63.417 47.749 1.00 46.82 1617 CA ASN A 206 -28.758 64.207 46.808 1.00 46.93 1618 CB ASN A 206 -27.917 65.357 46.237 1.00 47.65

1619 CG ASN A 206 -27.625 66.453 47.263 1.00 50.11

1620 ODl ASN A 206 -26.868 67.387 46.985 1.00 51.91

1621 ND2 ASN A 206 -28.226 66.348 48.444 1.00 50.54

1622 C ASN A 206 -29.324 63.384 45.654 1.00 47.71 1623 O ASN A 206 -30.492 63.531 45.283 1.00 48.61

1624 N THR A 207 -28.492 62.526 45.079 1.00 47.37

1625 CA THR A 207 ^•28.907 61.700 43.957 1.00 47.32 1626 CB THR A 207 27..729 60,.855 43,.448 1,.00 47.59

1627 OGl THR A 207 26. .693 61, .732 42, .995 1. .00 47. .48

1628 CG2 THR A 207 28. .160 59, .944 42, .310 1. .00 46. .70 1629 C THR A 207 30. .042 60, .781 44. .366 1. .00 47, .48 1630 0 THR A 207 31. .005 60. .596 43, .630 1, .00 48, .67 1631 N TRP A 208 29. .913 60. .211 45, .554 1. .00 47, .93 1632 CA TRP A 208 30. .911 59, .302 46, .096 1. .00 49, .86 1633 CB TRP A 208 - 3300.. .338888 5588. .771144 47 .404 1 .00 49, .57 1634 CG TRP A 208 - 3311.. .330022 5577.. .775555 48, .064 1. .00 49. .91 11663355 CD2 TRP A 208 - 3311.. .332266 5566,. .333388 47 .880 1. .00 49. .26 1636 CE2 TRP A 208 32. .321 55, .826 48 .738 1. .00 49, .75 1637 CE3 TRP A 208 30. .603 55 .450 47 .075 1 .00 49 .24

1638 CDl TRP A 208 32, .257 58 .040 48 .990 1 .00 48 .51

1639 NEl TRP A 208 32. .873 56 .888 49 .403 1 .00 49, .82 1640 CZ2 TRP A 208 32, ,613 54, .462 48 .816 11. .0000 4488,. .6622

1641 CZ3 TRP A 208 -30.893 54.092 47.151 1.00 48.83

1642 CH2 TRP A 208 -31.889 53.613 48.017 1.00 50.46 1643 C TRP A 208 -32.236 60.022 46.326 1.00 50.47 1644 O TRP A 208 -33.302 59.523 45.958 1.00 50.21 11664455 N LYS A 209 -32.162 61.205 46.920 1.00 50.64 1646 CA LYS A 209 -33.360 61.97! 47.198 1.00 53.18

1647 CB LYS A 209 -33.054 63.059 48.236 1.00 52.64

1648 CG LYS A 209 ^■32.727 62.492 49.605 1.00 54.13

1649 CD LYS A 209 -32.627 63.581 50.655 1.00 55.43

1650 CE LYS A 209 -32.385 62.977 52.030 1.00 56.85

1651 NZ LYS A 209 -32.337 64.017 53.097 1.00 58.55

1652 C LYS A 209 -34.008 62.608 45.965 1.00 53.99 1653 O LYS A 209 -35.161 63.016 46.021 1.00 55.62 1654 N ALA A 210 -33.283 62.677 44.853 1.00 53.95 1655 CA ALA A 210 ^■33.832 63.275 43.640 1.00 53.71

1656 CB ALA A 210 ^■32.711 63.726 42.727 1.00 53.56

1657 C ALA A 210 -34.736 62.303 42.897 1.00 54.51 1658 O ALA A 210 ^■35.464 62.690 41.981 1.00 55.60 1659 N LYS A 211 -34.675 61.036 43.287 1.00 54.10 1660 CA LYS A 211 -35.485 60.000 42.663 1.00 52.51

1661 CB LYS A 211 -34.763 58.662 42.756 1.00 51.33

1662 CG LYS A 211 -33.914 58.319 41.554 1.00 52.24 1663 CD LYS A 211 -32.799 59.303 41.294 1.00 52.08

1664 CE LYS A 211 -31.917 58.762 40.183 1.00 52.77

1665 NZ LYS A 211 -30.912 59.732 39.701 1.00 51.95

1666 C LYS A 211 -36.830 59.895 43.359 1.00 52.71

1667 O LYS A 211 -36.908 60.069 44.570 1.00 52.74

1668 N LYS A 212 -37.885 59.620 42.599 1.00 53.27

1669 CA LYS A 212 -39.219 59.483 43.188 1.00 54.93

1670 CB LYS A 212 -40.267 59.132 42.121 1.00 58.25

1671 CG LYS A 212 -40.229 59.971 40.844 1.00 62.47

1672 CD LYS A 212 -41.007 59.262 39.722 1.00 65.33

1673 CE LYS A 212 -40.752 59.880 38.347 1.00 65.91

1674 NZ LYS A 212 -41.349 59.054 37.254 1.00 65.11

1675 C LYS A 212 ^■39.124 58.324 44.168 1.00 53.39

1676 O LYS A 212 -39.309 58.485 45.373 1.00 53.15

1677 N CYS A 213 -38.836 57.150 43.615 1.00 52.27

1678 CA CYS A 213 -38.682 55.921 44.378 1.00 51.94

1679 CB CYS A 213 -39.754 54.913 43.970 1.00 53.45

1680 SG CYS A 213 •39.788 53.428 44.997 1.00 56.16

1681 C CYS A 213 -37.302 55.368 44.038 1.00 50.47 1682 O CYS A 213 -37.157 54.572 43.103 1.00 49.99 1683 N PRO A 214 -36.274 55.782 44.800 1.00 48.85

1684 CD PRO A 214 -36.393 56.618 46.008 1.00 48.62

1685 CA PRO A 214 -34.880 55.362 44.611 1.00 47.80

1686 CB PRO A 214 -34.128 5566..115544 45.681 1.00 47.62

1687 CG PRO A 214 -35.131 56.250 46.777 1.00 49.48

1688 C PRO A 214 -34.588 53.880 44.718 1.00 45.75

1689 O PRO A 214 -35.226 53.163 45.476 1.00 46.68

1690 N MET A 215 -33.610 53.446 43.932 1.00 44.77

1691 CA MET A 215 -33.134 52.067 43.919 1.00 43.23

1692 CB MET A 215 -33.942 51.205 42.956 1.00 41.48

1693 CG MET A 215 ^•33.477 49.757 42.903 1.00 43.22

1694 SD MET A 215 ■31.904 49.481 42.017 1.00 48.92

1695 CE MET A 215 ^■32.476 48.637 40.569 1.00 42.86

1696 C MET A 215 ^■31.676 52.121 43.473 1.00 42.23

1697 O MET A 215 ^■31.349 52.716 42.445 1.00 41.79

1698 N GLY A 216 ^•30.799 51.509 44.257 1.00 41.96

1699 CA GLY A 216 ^■29.391 51.522 43.917 1.00 39.90 1700 C GLY A 216 -28.721 50.187 44.139 1.00 40.23

1701 0 GLY A 216 -29.208 49.340 44.895 1.00 40.42

1702 N PHE A 217 -27.601 49.991 43.456 1.00 38.84

1703 CA PHE A 217 -26.845 48.764 43.594 1.00 38.44 1704 CB PHE A 217 -27.363 47.684 42.630 1.00 39.07

1705 CG PHE A 217 -27.184 48.020 41.171 1.00 39.93

1706 CDl PHE A 217 -28.138 48.760 40.489 1.00 39.81

1707 CD2 PHE A 217 -26.055 47.587 40.477 1.00 40.91

1708 CEl PHE A 217 -27.975 49.062 39.140 1.00 41.47 1709 CE2 PHE A 217 -25.883 47.886 39.130 1.00 39.49

1710 CZ PHE A 217 -26.844 48.624 38.461 1.00 40.22

1711 C PHE A 217 -25.368 48.998 43.330 1.00 38.26

1712 O PHE A 217 -24.983 49.889 42.561 1.00 39.15

1713 N SER A 218 -24.544 48.197 43.986 1.00 36.05 1714 CA SER A 218 -23.114 48.267 43.784 1.00 36.00

1715 CB SER A 218 -22.367 48.197 45.121 1.00 33.90

1716 OG SER A 218 -22.639 47.005 45.831 1.00 34.63

1717 C SER A 218 -22.797 47.056 42.916 1.00 36.88

1718 O SER A 218 -23.421 46.001 43.064 1.00 38.50 1719 N TYR A 219 -21.855 47.210 41.992 1.00 36.63

1720 CA TYR A 219 -21.489 46.102 41.123 1.00 35.51

1721 CB TYR A 219 -21.567 46.514 39.651 1.00 36.15

1722 CG TYR A 219 -21.435 45.341 38.700 1.00 35.72

1723 CDl TYR A 219 -22.516 44.488 38.453 1.00 34.06 1724 CEl TYR A 219 -22.382 43.376 37.613 1.00 32.75

1725 CD2 TYR A 219 -20.217 45.053 38.080 1.00 33.98

1726 CE2 TYR A 219 -20.077 43.950 37.245 1.00 33.96

1727 CZ TYR A 219 -21.156 43.112 37.016 1.00 32.89

1728 OH TYR A 219 -20.991 41.991 36.232 1.00 32.63 1729 C TYR A 219 -20.079 45.619 41.443 1.00 35.91

1730 O TYR A 219 -19.101 46.342 41.285 1.00 36.76

1731 N ASP A 220 -19.986 44.387 41.904 1.00 35.57

1732 CA ASP A 220 -18.707 43.807 42.232 1.00 35.26

1733 CB ASP A 220 -18.813 43.003 43.519 1.00 37.21 1734 CG ASP A 220 -17.575 42.195 43.792 1.00 42.34

1735 ODl ASP A 220 -16.464 42.767 43.678 1.00 44.64

1736 OD2 ASP A 220 -17.714 40.995 44.123 1.00 43.00 1737 C ASP A 220 -18.256 42.912 41.088 1.00 36.42 1738 O ASP A 220 -18.868 41.877 40.805 1.00 34.89 1739 N THR A 221 -17.192 43.337 40.418 1.00 34.67

1740 CA THR A 221 -16.635 42.594 39.304 1.00 35.25

1741 CB THR A 221 -15.923 43.558 38.339 1.00 37.70

1742 OGl THR A 221 -16.901 44.322 37.621 1.00 37.05

1743 CG2 THR A 221 -15.037 42.799 37.368 1.00 37.55 1744 C THR A 221 -15.627 41.565 39.817 1.00 37.69 1745 O THR A 221 -14.810 41.878 40.671 1.00 37.11 11774466 N ARG A 222 -15.686 40.335 39.320 1.00 39.27 1747 CA ARG A 222 ^■14.714 39.341 39.768 1.00 42.19

1748 CB ARG A 222 •15.066 37.944 39.238 1.00 46.49

1749 CG ARG A 222 •14.017 36.878 39.589 1.00 53.18

1750 CD ARG A 222 ^■14.151 35.583 38.759 1.00 59.45 1751 NE ARG A 222 •14.232 35.824 37.311 1.00 63.86

1752 CZ ARG A 222 ^■13.919 34.932 36.365 1.00 66.33

1753 NHl ARG A 222 -13.486 33.716 36.688 1.00 67.11

1754 NH2 ARG A 222 -14.057 35.249 35.083 1.00 66.69

1755 C ARG A 222 -13.357 39.791 39.200 1.00 41.31 1756 O ARG A 222 -13.216 39.908 37.986 1.00 40.19

1757 N CYS A 223 -12.388 40.055 40.081 1.00 38.77

1758 CA CYS A 223 -11.035 40.501 39.706 1.00 37.68

1759 CB CYS A 223 -10.092 39.302 39.546 1.00 40.73

1760 SG CYS A 223 -8.364 39.787 39.195 1.00 58.32 11776611 C CYS A 223 -10.981 41.351 38.448 1.00 32.64 1762 0 CYS A 223 -10.530 40.910 37.392 1.00 32.92 1763 N PHE A 224 -11.420 42.590 38.586 1.00 31.97 1764 CA PHE A 224 -11.475 43.524 37.483 1.00 28.90 1765 CB PHE A 224 -11.853 44.904 38.009 1.00 28.34 1766 CG PHE A 224 -12.160 45.899 36.927 1.00 31.03

1767 CDl PHE A 224 -11.133 46.522 36.214 1.00 29.28

1768 CD2 PHE A 224 -13.487 46.220 36.615 1.00 31.07

1769 CEl PHE A 224 -11.421 47.453 35.208 1.00 31.10

1770 CE2 PHE A 224 -13.782 47.150 35.611 1.00 31.84 1771 CZ PHE A 224 12.748 47.768 34.906 1.00 29.78

1772 C PHE A 224 ^•10.234 43.615 36.608 1.00 29.75

1773 O PHE A 224 -10.340 43.461 35.390 1.00 33.22 1774 N ASP A 225 -9.066 43.862 37.204 1.00 29.16

1775 CA ASP A 225 -7.818 43.982 36.420 1.00 27.45

1776 CB ASP A 225 -6.565 44.026 37.326 1.00 24.75

1777 CG ASP A 225 •6.511 45.256 38.216 1.00 23.13 1778 ODl ASP A 225 ^■6.990 46.330 37.817 1.00 27.94

1779 OD2 ASP A 225 -5.968 45.153 39.326 1.00 26.63

1780 C ASP A 225 -7.653 42.821 35.433 1.00 26.88

1781 O ASP A 225 -7.279 43.027 34.279 1.00 27.98

1782 N SER A 226 -7.937 41.604 35.884 1.00 25.46 1783 CA SER A 226 -7.799 40.452 35.005 1.00 28.88

1784 CB SER A 226 -7.884 39.150 35.799 1.00 31.93

1785 OG SER A 226 -6.780 38.989 36.670 1.00 35.05

1786 C SER A 226 -8.860 40.434 33.912 1.00 30.77

1787 O SER A 226 -8.688 39.782 32.885 1.00 31.59 1788 N THR A 227 -9.956 41.155 34.117 1.00 28.73

1789 CA THR A 227 ^■10.996 41.146 33.098 1.00 30.23

1790 CB THR A 227 ^■12.407 41.424 33.701 1.00 29.01

1791 OGl THR A 227 -12.552 42.821 33.987 1.00 27.33

1792 CG2 THR A 227 -12.597 40.610 34.985 1.00 26.05 1793 C THR A 227 -10.704 42.146 31.991 1.00 31.16

1794 O THR A 227 11.272 42.060 30.913 1.00 30.68

1795 N VAL A 228 -9.812 43.097 32.257 1.00 32.05

1796 CA VAL A 228 -9.463 44.082 31.240 1.00 30.96

1797 CB VAL A 228 -8.529 45.163 31.808 1.00 30.09 1798 CGI VAL A 228 -8.233 46.205 30.739 1.00 32.24

1799 CG2 VAL A 228 -9.170 45.819 33.010 1.00 29.47

1800 C VAL A 228 -8.773 43.365 30.077 1.00 32.85

1801 O VAL A 228 ^■7.805 42.640 30.267 1.00 35.37

1802 N THR A 229 ^■9.294 43.546 28.872 1.00 34.88 1803 CA THR A 229 •8.717 42.894 27.699 1.00 34.70

1804 CB THR A 229 -9.796 42.477 26.679 1.00 33.34

1805 OGl THR A 229 -10.325 43.645 26.038 1.00 30.65

1806 CG2 THR A 229 10.904 41.725 27.377 1.00 32.16

1807 C THR A 229 -7.747 43.801 26.965 1.00 36.90 1808 O THR A 229 ^■7.742 45.024 27.133 1.00 37.82

1809 N GLU A 230 •6.921 43.181 26.143 1.00 38.65

1810 CA GLU A 230 ^■5.960 43.922 25.356 1.00 39.97 1811 CB GLU A 230 -5.178 42.950 24.465 1.00 42.31

1812 CG GLU A 230 -4.221 42.047 25.275 1.00 44.60

1813 CD GLU A 230 -3.658 40.876 24.470 1.00 48.48

1814 OEl GLU A 230 -4.427 39.938 24.158 1.00 49.12

1815 OE2 GLU A 230 -2.446 40.896 24.148 1.00 49.56

1816 C GLU A 230 -6.740 44.953 24.545 1.00 39.23

1817 0 GLU A 230 -6.287 46.080 24.350 1.00 40.02 1818 N ASN A 231 -7.940 44.589 24.113 1.00 38.36 1819 CA ASN A 231 -8.729 45.541 23.354 1.00 39.78 1820 CB ASN A 231 -9.917 44.851 22.684 1.00 44.26 1821 CG ASN A 231 ^■10.568 45.730 21.625 1.00 49.26

1822 ODl ASN A 231 •11.391 46.608 21.930 1.00 49.31

1823 ND2 ASN A 231 10.183 45.513 20.371 1.00 51.90

1824 C ASN A 231 -9.204 46.703 24.233 1.00 38.76 1825 0 ASN A 231 -9.283 47.837 23.772 1.00 38.92 1826 N ASP A 232 -9.509 46.429 25.497 1.00 35.27 1827 CA ASP A 232 -9.937 47.491 26.404 1.00 33.31

1828 CB ASP A 232 10.248 46.919 27.791 1.00 32.94

1829 CG ASP A 232 ^•11.448 45.978 27.793 1.00 35.19

1830 ODl ASP A 232 ■11.550 45.177 28.745 1.00 33.97

1831 OD2 ASP A 232 -12.286 46.044 26.865 1.00 31.80

1832 C ASP A 232 -8.809 48.514 26.547 1.00 33.90

1833 0 ASP A 232 -9.024 49.730 26.492 1.00 33.05 1834 N ILE A 233 -7.595 48.010 26.733 1.00 32.87

1835 CA ILE A 233 -6.450 48.889 26.907 1.00 33.34

1836 CB ILE A 233 -5.225 48.079 27.375 1.00 34.76

1837 CG2 ILE A 233 -3.993 48.979 27.459 1.00 32.93

1838 CGI ILE A 233 -5.568 47.426 28.725 1.00 33.05

1839 CDl ILE A 233 -4.501 46.538 29.292 1.00 35.63

1840 C ILE A 233 -6.159 49.691 25.640 1.00 34.72

1841 O ILE A 233 -5.796 50.867 25.711 1.00 33.42

1842 N ARG A 234 -6.351 49.067 24.481 1.00 34.95

1843 CA ARG A 234 -6.137 49.780 23.229 1.00 36.36

1844 CB ARG A 234 -6.176 48.823 22.033 1.00 36.46

1845 CG ARG A 234 -5.004 47.861 21.986 1.00 36.89

1846 CD ARG A 234 -4.654 47.484 20.550 1.00 39.32

1847 NE ARG A 234 ^•3.338 46.853 20.492 1.00 40.46 1848 CZ ARG A 234 -3.114 45.560 20.692 1.00 40.69

1849 NHl ARG A 234 -4.126 44.732 20.951 1.00 40.94

1850 NH2 ARG A 234 -1.871 45.102 20.673 1.00 38.20

1851 C ARG A 234 -7.210 50.853 23.075 1.00 38.24

1852 O ARG A 234 -6.959 51.911 22.486 1.00 38.61

1853 N VAL A 235 -8.406 50.581 23.606 1.00 38.72 1854 CA VAL A 235 -9.503 51.544 23.536 1.00 39.16

1855 CB VAL A 235 ^■10.862 50.921 23.972 1.00 39.14

1856 CGI VAL A 235 •11.878 52.013 24.236 1.00 33.04

1857 CG2 VAL A 235 •11.392 50.001 22.867 1.00 35.77

1858 C VAL A 235 -9.177 52.721 24.437 1.00 40.38 1859 O VAL A 235 -9.409 53.873 24.077 1.00 42.19 1860 N GLU A 236 -8.637 52.428 25.613 1.00 43.13

1861 CA GLU A 236 -8.257 53.480 26.547 1.00 44.18

1862 CB GLU A 236 -7.597 52.875 27.790 1.00 45.42

1863 CG GLU A 236 -8.536 51.999 28.607 1.00 46.12 1864 CD GLU A 236 -7.817 51.075 29.585 1.00 48.44

1865 OEl GLU A 236 -8.525 50.353 30.316 1.00 46.97

1866 OE2 GLU A 236 -6.563 51.059 29.620 1.00 46.38

1867 C GLU A 236 -7.266 54.378 25.824 1.00 45.12

1868 O GLU A 236 -7.350 55.605 25.879 1.00 45.44

1869 N GLU A 237 -6.334 53.751 25.123 1.00 45.86

1870 CA GLU A 237 •5.324 54.490 24.392 1.00 46.04

1871 CB GLU A 237 ^■4.378 53.522 23.684 1.00 48.03

1872 CG GLU A 237 ^■3.065 54.132 23.249 1.00 51.14

1873 CD GLU A 237 -2.954 54.272 21.756 1.00 53.75

1874 OEl GLU A 237 -3.327 53.311 21.056 1.00 55.72

1875 OE2 GLU A 237 2.485 55.328 21.281 1.00 55.16

1876 C GLU A 237 5.973 55.423 23.383 1.00 46.10

1877 O GLU A 237 -5.664 56.614 23.353 1.00 46.89

1878 N SER A 238 -6.888 54.898 22.573 1.00 43.97

1879 CA SER A 238 -7.536 55.728 21.562 1.00 43.67

1880 CB SER A 238 -8.559 54.925 20.765 1.00 43.99

1881 OG SER A 238 -9.762 54.782 21.489 1.00 50.45

1882 C SER A 238 -8.219 56.922 22.208 1.00 43.14 1883 O SER A 238 ^■8.235 58.017 21.648 1.00 43.16 1884 N ILE A 239 ^■8.781 56.708 23.393 1.00 42.36 1885 CA ILE A 239 -9,.443 57..788 24..108 1.,00 40..93

1886 CB ILE A 239 -10, .164 57. .279 25. .387 1. .00 39. .63

1887 CG2 ILE A 239 -10, .782 58, .452 26. .141 1. .00 37. .70

1888 CGI ILE A 239 -11, .262 56. .281 24. .997 1. .00 39. .38

1889 CDl ILE A 239 -12, .135 55, .798 26, .151 1. .00 35. .35 1890 C ILE A 239 -8, .419 58, .854 24 , .473 1. .00 42, .68 1891 O ILE A 239 -8. .642 60. .035 24, .222 1. .00 43 , .58 1892 N TYR A 240 -7, .291 58. .442 25. .049 1. .00 42, .99 1893 CA TYR A 240 -6. .247 59. .394 25, ,410 1. .00 42. .90 1894 CB TYR A 240 -4, .991 58. .686 25. .932 1. .00 41. .46 1895 CG TYR A 240 -5, .174 57. .680 27. .042 1. .00 41. .80

1896 CDl TYR A 240 -6, .134 57. .861 28. .040 1. .00 40. .49

1897 CEl TYR A 240 -6, .233 56. .970 29, .102 1. .00 39. .76

1898 CD2 TYR A 240 -4 .324 56, .573 27, .133 1. .00 39, .24

1899 CE2 TYR A 240 -4 .413 55, .678 28, .188 1. .00 38. .52

1900 CZ TYR A 240 -5 .368 55, .881 29 .175 1. .00 39. .34

1901 OH TYR A 240 -5 .429 55, .007 30 .242 1. .00 36, .44

1902 C TYR A 240 -5 .830 60, .217 24 .178 1, .00 44 , .31 1903 O TYR A 240 -5 .659 61, .435 24 .252 1, .00 44 , .45 1904 N GLN A 241 -5 .658 59, .535 23 .052 1, .00 44 , .28

1905 CA GLN A 241 -5 .238 60, .187 21 .823 1. .00 46, .59

1906 CB GLN A 241 -4 .979 59, .146 20 .728 1. .00 46, .46

1907 CG GLN A 241 -3 .890 58, .137 21 .097 1, .00 48, .99

1908 CD GLN A 241 -2.470 58.683 20.957 1.00 47.90

1909 OEl GLN A 241 -2.236 59.893 21.030 1.00 48.87

1910 NE2 GLN A 241 - 1 . 516 57.782 20.764 1.00 48.20

1911 C GLN A 241 - 6 . 236 61.212 21.323 1.00 48.81

1912 O GLN A 241 - 5 . 910 62.008 20.443 1.00 51.21

1913 N CYS A 242 - 7 . 454 61.193 21.858 1.00 47.81

1914 CA CYS A 242 - 8 . 442 62.172 21.431 1.00 48.64

1915 CB CYS A 242 - 9 . 860 61.773 21.871 1.00 47.45

1916 SG CYS A 242 ^• 10 . 625 60 . 498 20.830 1.00 48.98

1917 C CYS A 242 -8.071 63.523 22.014 1.00 49.76

1918 O CYS A 242 -8.569 64.553 21.566 1.00 50.32

1919 N CYS A 243 -7.188 63.511 23.010 1.00 51.65 1920 CA CYS A 243 -6.731 64.740 23.656 1.00 54.81 1921 CB CYS A 243 -5.903 64.418 24.895 1.00 55.84 1922 SG CYS A 243 ^■ 6 . 816 63.676 26.235 1.00 59.84 1923 C CYS A 243 ■ 5 . 857 65.546 22.715 1.00 55.49 1924 0 CYS A 243 ^■ 5 . 428 65.040 21.687 1.00 56.74 1925 N ASP A 244 ^■ 5 . 590 66.800 23.074 1.00 57.00 1926 CA ASP A 244 -4.719 67.657 22.270 1.00 56.41

1927 CB ASP A 244 -5.152 69.118 22.364 1.00 58.67

1928 CG ASP A 244 -4.307 70.031 21.488 1.00 61.20

1929 ODl ASP A 244 -4.249 69.795 20.262 1.00 61.66

1930 OD2 ASP A 244 -3.698 70.981 22.024 1.00 61.97

11993311 C ASP A 244 -3.337 67.482 22.879 1.00 54.73 1932 O ASP A 244 -3.023 68.073 23.904 1.00 54.74 1933 N LEU A 245 -2.515 66.658 22.241 1.00 54.19 1934 CA LEU A 245 -1.190 66.366 22.758 1 . 00 54 . 13

1935 CB LEU A 245 -1.077 64.860 23.027 1 . 00 51 . 39 1936 CG LEU A 245 -2.073 64.211 23.994 1 . 00 48 . 23

1937 CDl LEU A 245 -2.058 62.707 23.816 1 . 00 44 . 40

1938 CD2 LEU A 245 -1.718 64.590 25.423 1 . 00 47 . 41 1939 C LEU A 245 -0.026 66.793 21 . 863 1 . 00 56 . 08 1940 O LEU A 245 0, .209 67, .206 20 .714 1. .00 54, .85 11994411 N ALA A 246 1, .178 66, .674 22 .421 1. .00 56, .77

1942 CA ALA A 246 2 , .405 67, .000 21 .716 1. .00 57 .55

1943 CB ALA A 246 3, .516 67, .305 22 .714 1. .00 55 .96

1944 C ALA A 246 2, .750 65, .761 20 .909 1. .00 58 .20 1945 O ALA A 246 2, .488 64, .640 21 .340 1. .00 60 .00 1946 N PRO A 247 3, .335 65, .939 19 .720 1. .00 57 .81

1947 CD PRO A 247 3, .600 67 .190 18 .989 1, .00 57 .52

1948 CA PRO A 247 3, .684 64, .772 18 .908 1. .00 57 .15

1949 CB PRO A 247 4, .415 65 .392 17 .723 1, .00 56 .18

1950 CG PRO A 247 3. .690 66, .702 17. .553 1. .00 57, .28 1951 C PRO A 247 4 , .558 63 , .801 19. .693 1. .00 56, .76

1952 O PRO A 247 4 , .509 62, .588 19, .485 1. .00 56, .85 1953 N GLU A 248 5, .355 64 , .340 20 .604 1. .00 54, .58

1954 CA GLU A 248 6, .234 63 , .508 21 .402 1. .00 54 .05

1955 CB GLU A 248 7, .265 64 , .393 22 .112 1. .00 54 .39 1956 CG GLU A 248 8, .519 63 , .661 22 .569 1. .00 56 .46

1957 CD GLU A 248 9, .685 64 , .601 22 .871 1. .00 55 .88

1958 OEl GLU A 248 9, .606 65. .388 23 .838 1. .00 57 .33 1959 OE2 GLU A 248 10.688 64.550 22.132 1.00 56.64

1960 C GLU A 248 5.399 62.711 22.411 1.00 53.71

1961 0 GLU A 248 5.613 61.509 2222.. .661155 1. .00 52. .34

1962 N ALA A 249 4.435 63.384 2233.. .002288 1. .00 52. .11

1963 CA ALA A 249 3.578 62.732 2244.. .000055 1. .00 51. .76

1964 CB ALA A 249 2.668 63.752 2244.. .666622 1. .00 52, .47

1965 C ALA A 249 2.757 61.643 2233.. .331188 1. .00 51, .71

1966 0 ALA A 249 2.575 60.558 2233., .886666 1, .00 51, .96

1967 N ARG A 250 2.280 61.920 2222.. .111111 1. .00 49, .95

1968 CA ARG A 250 1. .492 60, .932 21. .388 1. .00 51. .68

1969 CB ARG A 250 1, .024 61, .486 20. .039 1. .00 50. .68

1970 CG ARG A 250 0, .069 62, .528 20. .135 1. .00 50, ,90 1971 CD ARG A 250 0, .611 62, .866 18. .757 1. .00 51. .10

1972 NE ARG A 250 1, .589 63 .943 18, .826 1. .00 50, .84

1973 CZ ARG A 250 2, .823 63, .805 19. .293 1. .00 50, .53

1974 NHl ARG A 250 3 .245 62 .625 19, .731 1. .00 50, .49

1975 NH2 ARG A 250 3 .627 64 .854 19, .337 1. .00 50, .24

1976 C ARG A 250 2 .250 59 .632 21, .147 1. .00 51, .75

1977 0 ARG A 250 1 .722 58 .545 21, .382 1, .00 53, .34 1978 N GLN A 251 3 .486 59 .753 2200,. .667755 1, .00 51. .40 1979 CA GLN A 251 4.328 58.602 20.375 1.00 50.56

1980 CB GLN A 251 5.586 59.074 19.621 1.00 52.38

1981 CG GLN A 251 6.583 57.974 19.241 1.00 54.92

1982 CD GLN A 251 6.164 57.149 18.027 1.00 57.07 1983 OEl GLN A 251 6.843 56.183 17.660 1.00 56.92 1984 NE2 GLN A 251 5.052 57.530 17.393 1.00 55.76 1985 C GLN A 251 4.715 57.849 21.652 1.00 49.74

1986 0 GLN A 251 4.842 56.620 21.646 1.00 49.46

1987 N ALA A 252 4.902 58.585 22.745 1.00 45.94

1988 CA ALA A 252 5.264 57.960 24.012 1.00 43.96

1989 CB ALA A 252 5.713 59.013 25.003 1.00 44.37

1990 C ALA A 252 4.060 57.200 24.565 1.00 43.68

1991 0 ALA A 252 4.194 56.126 25.163 1.00 42.75

1992 N ILE A 253 2.879 57.767 24.357 1.00 41.01

1993 CA ILE A 253 1.662 57.139 24.824 1.00 39.91

1994 CB ILE A 253 0.484 58.127 24.758 1.00 38.71

1995 CG2 ILE A 253 -0.846 57.392 24.875 1.00 36.47 1996 CGI ILE A 253 0, .649 59, .150 25..880 1..00 38, .33

1997 CDl ILE A 253 0. .395 60, .222 25. .892 1, .00 41, .48

1998 C ILE A 253 1. .372 55, .886 24. .007 1. .00 41, .80

1999 O ILE A 253 1, .010 54, .851 24. .553 1. .00 42, .76

2000 N ARG A 254 1, .553 55 .964 22. .700 1, .00 41, .24

2001 CA ARG A 254 1. .297 54 .802 21, .865 1, .00 43, .30

2002 CB ARG A 254 1. .416 55 .176 20, .382 1, .00 47 .82

2003 CG ARG A 254 1, .274 54 .003 19, .433 1, .00 52 .82

2004 CD ARG A 254 0. .041 53 , .161 19. .746 1. .00 58. .14

2005 NE ARG A 254 0, .069 52, .016 18. .847 1. .00 64, .91

2006 CZ ARG A 254 0, .315 52, .116 17, .543 1. .00 68, .94

2007 NHl ARG A 254 0, .483 53, .310 16, .988 1. .00 70, .51

2008 NH2 ARG A 254 0, .388 51, .025 16, .788 1, .00 71, .60

2009 C ARG A 254 2, .266 53, .676 22, .203 1. .00 42, .16

2010 O ARG A 254 1.876 52.510 22.307 1.00 42.94

2011 N SER A 255 3.528 54.034 22.399 1.00 39.94

2012 CA SER A 255 4.556 53.052 22.714 1. .00 37. .79

2013 CB SER A 255 5.938 53.708 22.608 1. .00 39. .46 2014 OG SER A 255 6.957 52.745 22.789 1. .00 42. .73 2015 C SER A 255 4.366 52.409 24.095 1. .00 35. .69 2016 O SER A 255 4.476 51.187 24.246 1. .00 32, .20 2017 N LEU A 256 4.102 53.233 25.107 1. .00 34, .01 2018 CA LEU A 256 3.874 52.705 26.442 1. .00 33, .56

2019 CB LEU A 256 3.687 53.848 27.438 1. .00 32, .58

2020 CG LEU A 256 4.944 54.526 27.967 1. .00 30, .13

2021 CDl LEU A 256 4.543 55.751 28.746 1. .00 27, .37

2022 CD2 LEU A 256 5.737 53.560 28.841 1. .00 27, .87

2023 C LEU A 256 2.622 51.800 26.419 1. .00 35, .54

2024 O LEU A 256 2.524 50.815 27.176 1. .00 35, .46

2025 N THR A 257 1.681 52.128 25.535 1.00 33.03

2026 CA THR A 257 0.467 51.336 25.405 1.00 33.57

2027 CB THR A 257 ^■0.587 52.046 24.519 1.00 33.11

2028 OGl THR A 257 ^■1.219 53.105 25.264 1.00 31.21

2029 CG2 THR A 257 ^■1.637 51.063 24.060 1.00 31.61

2030 C THR A 257 0.780 49.975 24.809 1.00 34.22

2031 O THR A 257 0.432 48.932 25.370 1.00 35.27

2032 N GLU A 258 1.446 49.981 23.665 1.00 34.30 2033 CA GLU A 258 1.782 48.730 23.016 1.00 34.05

2034 CB GLU A 258 2.184 48.989 21.573 1.00 36.97

2035 CG GLU A 258 0.990 49.066 20.647 1.00 42.89

2036 CD GLU A 258 0.323 47.725 20.493 1.00 45.65

2037 OEl GLU A 258 ^•0.928 47.664 20.560 1.00 48.89

2038 OE2 GLU A 258 1.058 46.729 20.304 1.00 46.10

2039 C GLU A 258 2.872 47.925 23.709 1.00 34.11

2040 0 GLU A 258 2.873 46.702 23.649 1.00 32.10

2041 N ARG A 259 3.791 48.603 24.384 1. .00 35. .16

2042 CA ARG A 259 4.890 47.900 25.035 1. .00 36. .57

2043 CB ARG A 259 6.188 48.695 24.832 1. .00 38. .38

2044 CG ARG A 259 6.546 48.889 23.358 1. .00 40, .30

2045 CD ARG A 259 7.745 49.812 23.206 1. .00 42, .94

2046 NE ARG A 259 8.958 49.228 23.771 1. .00 42, .79

2047 CZ ARG A 259 100.. .110000 4499.. .888899 23. .953 1. .00 43 , .92

2048 NHl ARG A 259 100.. .119999 5511.. .117711 23. .618 1. .00 40, .73

2049 NH2 ARG A 259 111.. .114488 4499.. .226622 24. .474 1. .00 42 , .58

2050 C ARG A 259 44.. .668888 4477.. .558877 26. .517 1. .00 35, .64

2051 0 ARG A 259 5. .299 46. .655 27. .043 1 , .00 36, .36

2052 N LEU A 260 3. .822 48. .345 2277,. .118822 1. .00 33, .23

2053 CA LEU A 260 3. .587 48. .136 2288.. .660077 1. .00 32, .50

2054 CB LEU A 260 4. .065 49, .367 2299.. .337788 1. .00 30, .98

2055 CG LEU A 260 3. .880 49, .345 3300.. .889900 1. .00 30, .34

2056 CDl LEU A 260 4. .640 48, .129 31. .442 1. .00 30, .88

2057 CD2 LEU A 260 4 , .359 50, .667 31. .517 1, .00 23, .60

2058 C LEU A 260 2, .143 47, .824 2299.. .001177 1, .00 33, .36

2059 0 LEU A 260 1, .851 46, .763 2299.. .555522 1, .00 32, .95

2060 N TYR A 261 1, .246 48, .762 28. .762 1, .00 32, .93

2061 CA TYR A 261 0. .139 48, .606 29, .149 1, .00 31, .88

2062 CB TYR A 261 0, .898 49, .870 28. .768 1, .00 30 .21

2063 CG TYR A 261 0. .303 51. .077 29, .452 1 , .00 32, .20

2064 CDl TYR A 261 0, .383 50, .939 30, .669 1. .00 32 .07

2065 CEl TYR A 261 0, .956 52, .029 31, .305 1. .00 31, .85

2066 CD2 TYR A 261 ^■ 00...440022 52,.351 2288,..889922 1, .00 32, .89

2067 CE2 TYR A 261 00,..116644 53,.454 2299,..552266 1. .00 33 .29

2068 CZ TYR A 261 0.844 53.281 30.731 1 , .00 33, .90

2069 OH TYR A 261 1.418 54.360 31.353 1, .00 35, .30 2070 C TYR A 261 -0.863 47.356 28.670 1.00 33.17 2071 O TYR A 261 -1.430 46.642 29.490 1.00 32.91 2072 N VAL A 262 -0.824 47.062 27.374 1.00 32.00 2073 CA VAL A 262 -1.522 45.886 26.871 1.00 34.08

2074 CB VAL A 262 -1.494 45.786 25.317 1.00 33.42

2075 CGI VAL A 262 -2.185 46.988 24.717 1.00 33.91

2076 CG2 VAL A 262 -0.074 45.657 24.809 1.00 30.70 2077 C VAL A 262 -1.037 44.562 27.428 1.00 35.62 2078 0 VAL A 262 -1.807 43.604 27.502 1.00 38.07 22007799 N GLY A 263 0.227 44.498 27.822 1.00 37.05

2080 CA GLY A 263 0.748 43.258 28.354 1.00 37.18

2081 C GLY A 263 2.259 43.228 28.373 1.00 38.79

2082 0 GLY A 263 2.907 44.240 28.111 1.00 38.25 2083 N GLY A 264 2.821 42.065 28.682 1.00 38.20 2084 CA GLY A 264 4 , .262 41, .951 2288., .773366 1.00 40.68

2085 C GLY A 264 4 , .743 40 .919 2299,. .774400 1.00 40.60

2086 0 GLY A 264 3, .995 40, .504 3300,. .662200 1.00 40.39 2087 N PRO A 265 6, .008 40, .495 29, .633 1.00 40.17

2088 CD PRO A 265 6. .993 41, .025 28, .672 1.00 40.30 2089 CA PRO A 265 6, .629 39 .504 3300,. .551144 1.00 36.57

2090 CB PRO A 265 7, .938 39 .203 2299,. .880066 1.00 37.88

2091 CG PRO A 265 8, .301 40, .548 2299,. .225566 1.00 39.04

2092 C PRO A 265 6. .847 40, .028 3311.. .993333 1.00 35.25

2093 O PRO A 265 6, .996 41 .233 32. .159 1.00 34.18 2094 N MET A 266 6, .863 39, .107 32. .886 1.00 32.41

2095 CA MET A 266 7, .060 39, .468 3344.. .227722 1.00 32.11

2096 CB MET A 266 5, .765 39, .272 3355.. .007711 1.00 32.93

2097 CG MET A 266 4 , .502 39 .891 3344.. .447755 1.00 31.79

2098 SD MET A 266 3, .050 39, .408 3355.. .449966 1.00 36.10 2099 CE MET A 266 22...663399 37, .818 3344...772233 1.00 23.51

2100 C MET A 266 8.140 38.576 34.878 1.00 34.49

2101 O MET A 266 8.264 37.390 34.533 1.00 34.71

2102 N THR A 267 8.925 39.152 35.779 1.00 32.33

2103 CA THR A 267 9.942 38.381 36.471 1.00 34.77 2104 CB THR A 267 11.401 38.897 36.190 1.00 34.68

2105 OGl THR A 267 11.471 40.316 36.383 1.00 36.40

2106 CG2 THR A 267 11.825 38.565 34.775 1.00 35.14 2107 C THR A 267 9,.631 38,.528 37..949 1..00 34 ,.93

2108 0 THR A 267 8. .961 39, .486 38. .356 1. .00 33. .22

2109 N ASN A 268 10. .074 37. .563 38. .746 1. .00 36. .58

2110 CA ASN A 268 9. .860 37. .651 40. .177 1. .00 37, .64

2111 CB ASN A 268 9. .867 36, .262 40. .818 1. .00 37, .72

2112 CG ASN A 268 11. .078 35. .444 40. .425 1. .00 39. .60

2113 ODl ASN A 268 12. .161 35. .980 40. .215 1. .00 37. .09

2114 ND2 ASN A 268 10, .900 34. .132 40. .337 1. .00 39. .66

2115 C ASN A 268 11, .018 38. .504 40. .705 1. .00 39, ,74

2116 0 ASN A 268 11, .807 39. .042 39, .920 1. .00 39, .19

2117 N SER A 269 11, .114 38, .630 42, .025 1. .00 41, .94

2118 CA SER A 269 12, .168 39, .424 42, .650 1, .00 43, .97

2119 CB SER A 269 11 .968 39 .464 44 , .166 1, .00 42 .11

2120 OG SER A 269 12 .007 38 .161 44, .715 1. .00 41 .77

2121 C SER A 269 13, .570 38. .890 42, .337 1. .00 45, .86

2122 0 SER A 269 14 , .533 39. .660 42, .274 1. .00 46, .48

2123 N LYS A 270 13, .673 37, .576 42, .149 1. .00 45. .38

2124 CA LYS A 270 14 , .943 36, .933 41, .842 1. .00 46, .26

2125 CB LYS A 270 14 , .897 35, .453 42, .228 1. .00 48, .72

2126 CG LYS A 270 14 , .913 35, .211 43, .725 1. .00 50, .64

2127 CD LYS A 270 14 .788 33, .734 44 , .051 1, .00 53, .28

2128 CE LYS A 270 14 .820 33 .510 45 .555 1. .00 55, .35

2129 NZ LYS A 270 14 .511 32 .103 45 .895 1. .00 57 .46

2130 C LYS A 270 15 .282 37 .049 40 .369 1. .00 46 .94

2131 0 LYS A 270 16 .176 36 .366 39 .874 1. .00 48 .27

2132 N GLY A 271 14 .545 37 .895 39 .659 1. .00 46 .45

2133 CA GLY A 271 14 .805 38 .083 38 .245 1. .00 45 .17

2134 C GLY A 271 14 .454 36 .925 37 .325 1, .00 45 .21

2135 0 GLY A 271 14 , .908 36, .890 36. .177 1. .00 45, .74

2136 N GLN A 272 13, .660 35, .973 37, .802 1, .00 45, .02

2137 CA GLN A 272 13, .277 34, .856 36, .950 1. .00 45, .82

2138 CB GLN A 272 12 .944 33, .629 37, .778 1, .00 48, .95

2139 CG GLN A 272 14 .012 33, .181 38, .699 1. .00 53, .41

2140 CD GLN A 272 13 .636 31. .876 39, .360 1 , .00 58, .23

2141 OEl GLN A 272 13 .427 30 .866 38 .680 1, .00 61, .66

2142 NE2 GLN A 272 13 .535 31 .884 40, .686 1, .00 56, .32

2143 C GLN A 272 12 .057 35 .187 36, .091 1, .00 44 , .80 2144 0 GLN A 272 11,.242 36,.040 36..441 1..00 41..97

2145 N ASN A 273 11, .951 34 , .487 34. .965 1. .00 44. .60

2146 CA ASN A 273 10, .842 34, .633 34 , .022 1. .00 44. .04

2147 CB ASN A 273 11, .166 33, .835 32. .753 1, .00 41. .49

2148 CG ASN A 273 10, .110 33, .976 31. .672 1. .00 40. .14

2149 ODl ASN A 273 10, .166 33, .288 30. .657 1, .00 36. .10

2150 ND2 ASN A 273 9, .152 34, .870 31 .878 1. .00 39, .94

2151 C ASN A 273 9, .624 34. .035 34 , .730 1. .00 43, .80

2152 0 ASN A 273 9. .531 32, .823 34. .867 1. .00 46, .05

2153 N CYS A 274 8. .696 34. .867 35, .185 1. .00 43. .28

2154 CA CYS A 274 7, .536 34. .343 35, .902 1. .00 45. .08

2155 CB CYS A 274 7. .120 35. .329 37, .001 1. .00 44. .89

2156 SG CYS A 274 6. .167 34. .573 38 .347 1, .00 48, .96

2157 C CYS A 274 6. .328 33. .999 35 .010 1. .00 45, .61

2158 0 CYS A 274 5, .700 32. .953 35 .186 1. .00 46, .55

2159 N GLY A 275 6 .007 34 .870 34 .057 1. .00 44, .94

2160 CA GLY A 275 4 .885 34 .608 33 .174 1, .00 43 .79

2161 C GLY A 275 4 .617 35 .769 32 .240 1, .00 44 .05

2162 0 GLY A 275 5 .383 36 .733 32 .204 1 .00 46 .02

2163 N TYR A 276 3 .526 35 .692 31 .486 1 .00 42 .79

2164 CA TYR A 276 3 .185 36 .762 30 .551 1 .00 40 .09

2165 CB TYR A 276 3.209 36.225 29.125 1.00 36.31

2166 CG TYR A 276 3.533 37.292 28.132 1.00 38.39

2167 CDl TYR A 276 4.856 37.558 27.779 1.00 39.20

2168 CEl TYR A 276 5.168 38.587 26.910 1.00 37.74

2169 CD2 TYR A 276 2.527 38.087 27.585 1.00 39.36

2170 CE2 TYR A 276 2.827 39.115 26.718 1.00 38.94

2171 CZ TYR A 276 4.153 39.360 26.381 1.00 40.10

2172 OH TYR A 276 4.454 40.358 25.487 1.00 38.69

2173 C TYR A 276 1.810 37.379 30.854 1.00 39.75

2174 O TYR A 276 0.821 36.665 31.016 1.00 41.39

2175 N ARG A 277 1.759 38.705 30.929 1.00 38.23

2176 CA ARG A 277 0.526 39.426 31.228 1.00 39.14

2177 CB ARG A 277 0.809 40.604 32.166 1.00 38.94

2178 CG ARG A 277 ^■0.391 41.547 32.333 1.00 39.87

2179 CD ARG A 277 ^■0.041 42.715 33.218 1.00 40.09

2180 NE ARG A 277 1.059 43.453 32.627 1.00 39.92 2181 CZ ARG A 211 0.930 44.370 31.678 1.00 40.39 2182 NHl ARG A 277 ^■0.266 44.691 31.204 1.00 40.41

2183 NH2 ARG A 277 2.013 44.945 31.181 1.00 39.06

2184 C ARG A 277 0.224 39.961 30.008 1.00 39.65

2185 O ARG A 277 0.358 40.618 29.147 1.00 40.39 2186 N ARG A 278 •1.525 39.694 29.949 1.00 40.09 2187 CA ARG A 278 ^■2.337 40.175 28.843 1.00 38.50 2188 CB ARG A 278 2.699 39.022 27.917 1.00 39.09

2189 CG ARG A 278 1.483 38.424 27.245 1.00 39.61 2190 CD ARG A 278 ■1.850 37.559 2266.. .006677 1. .00 36. .96

2191 NE ARG A 278 ^•0.674 37.276 2255.. .225555 1. .00 36. .66

2192 CZ ARG A 278 0.255 36.368 25. .545 1. .00 37. .44

2193 NHl ARG A 278 0.158 35.617 26. .638 1. .00 34. .63

2194 NH2 ARG A 278 1.303 36.233 2244.. .774455 1. .00 37. .59 22119955 C ARG A 278 -3.582 40.859 2299.. .337733 1. .00 38. .63 2196 0 ARG A 278 -4.645 40.819 2288.. .776600 1. .00 40, .39 2197 N CYS A 279 -3.434 41.491 3300., .553300 1. .00 36, .11 2198 CA CYS A 279 -4.529 42.204 3311.. .115511 1. .00 35, .16 2199 CB CYS A 279 -5.217 41.331 3322.. .119944 1, .00 34 , .40 2200 SG CYS A 279 -4.172 40.791 3333., .554466 1. .00 37, .93 2201 C CYS A 279 -3.975 43.469 3311., .779911 1, .00 35, .19 2202 O CYS A 279 -2.823 43.830 3311., .555577 1. .00 33, .70 2203 N ARG A 280 ^■4.808 44.146 3322., .557766 1. .00 33, .60 2204 CA ARG A 280 -4.410 45.375 3333., .224411 1, .00 33, .88 22220055 CB ARG A 280 ^■5.568 45.910 3344. , .008855 1, .00 32, .40 2206 CG ARG A 280 ^■5.183 47.076 3344., .999900 1, .00 31, .19 2207 CD ARG A 280 -5.022 48.333 3344,. .116600 1, .00 31, .33 2208 NE ARG A 280 -6.338 48.842 3333,. .880088 1. .00 33, .14

2209 CZ ARG A 280 -6.654 49.436 3322,. .666699 1, .00 30, .40 2210 NHl ARG A 280 -5.741 49.614 31, .725 1, .00 32, .58

2211 NH2 ARG A 280 -7.898 49.852 32, .485 1. .00 29, .95

2212 C ARG A 280 -3.199 45.190 3344 ,. .116600 1, .00 34, .49

2213 O ARG A 280 -3.155 44.246 3344 ,. .993355 1, .00 36, .08

2214 N ALA A 281 -2.218 46.084 3344,. .007733 1. .00 33, .18

2215 CA ALA A 281 -1.078 45.998 3344. .998800 1. .00 34 .12

2216 CB ALA A 281 0.144 46.729 3344.. .440099 1. .00 33. .91

2217 C ALA A 281 ^■1.590 46.711 3366 ,. .223355 1. .00 33. .68 2218 O ALA A 281 ^■2.193 47.795 36.154 1.00 31.14

2219 N SER A 282 ■1.361 46.107 37.393 1.00 31.60

2220 CA SER A 282 ^■1.849 46.701 38.621 1.00 33.02

2221 CB SER A 282 ^■1.974 45.623 39.699 1.00 32.46

2222 OG SER A 282 -0. .914 44. .693 39. .595 1. .00 34 , .83

2223 C SER A 282 -1. .003 47. .847 39. .133 1. ,00 33, .94

2224 0 SER A 282 -1. .483 48. .659 39, .912 1. .00 35, .03

2225 N GLY A 283 0. .250 47. .917 38. .684 1. ,00 37, .21

2226 CA GLY A 283 1. .145 48. .959 39. .156 1. ,00 36. .09

2227 C GLY A 283 1. .731 49. .942 38. .153 1. ,00 38. .27

2228 0 GLY A 283 2. .941 50. .209 38. .177 1. .00 40. .07

2229 N VAL A 284 0. .891 50. .484 37. .276 1. .00 37. .11

2230 CA VAL A 284 1. .332 51. .482 36. .311 1. .00 34. .32

2231 CB VAL A 284 1. .028 51. .090 34. .846 1. .00 34, .18

2232 CGI VAL A 284 2. .026 50. .043 34. .372 1. .00 32, .34

2233 CG2 VAL A 284 -0. .393 50. .595 34, .716 1. .00 31, .21

2234 C VAL A 284 0. .597 52. .762 36, .629 1. .00 34, .85

2235 0 VAL A 284 -0. .280 52. .779 37, .487 1. .00 37, .26

2236 N LEU A 285 0. .946 53. .836 35, .935 1. .00 35 .48

2237 CA LEU A 285 0. .316 55. .126 36, .173 1. .00 35 .51

2238 CB LEU A 285 1. .101 56. .214 35, .452 1. .00 34 .44

2239 CG LEU A 285 0, .607 57, .642 35, .678 1, .00 34 .80

2240 CDl LEU A 285 0, .392 57, .893 37 .159 1. .00 34 .35

2241 CD2 LEU A 285 1. .626 58, .620 35 .104 1. .00 35 .34

2242 C LEU A 285 -1. .149 55, .195 35 .743 1, .00 36 .55

2243 0 LEU A 285 -1. .967 55, .862 36 .379 1, .00 38 .68

2244 N THR A 286 -1 .473 54, .502 34 .662 1. .00 35 .43

2245 CA THR A 286 -2 .826 54, .517 34 .119 1, .00 34 .59

2246 CB THR A 286 -2 .774 54, .298 32 .583 1, .00 33 .98

2247 OGl THR A 286 -1 .914 53, .194 32 .285 1, .00 32 .88

2248 CG2 THR A 286 -2 .241 55, .534 31 .889 1, .00 31 .57

2249 C THR A 286 -3 .827 53, .524 34 .751 1. ,00 36 .95

2250 0 THR A 286 -4 .989 53 .470 34 .341 1. .00 35 .75

2251 N THR A 287 -3 .389 52 .762 35 .752 1. .00 35 .18

2252 CA THR A 287 -4 .275 51 .798 36 .391 1. .00 35 .02

2253 CB THR A 287 -3. .564 51, .103 37, .573 1. .00 35 .20

2254 OGl THR A 287 -2. .396 50, .423 37, .086 1. .00 34. .12 2255 CG2 THR A 287 -4.481 50.085 38.235 1.00 30.52

2256 C THR A 287 -5.606 52.436 36.833 1.00 36.33

2257 O THR A 287 -6.658 52.087 36.307 1.00 38.09

2258 N SER A 288 -5.567 53.379 37.762 1.00 35.46

2259 CA SER A 288 -6.794 54.035 38.220 1.00 36.37

2260 CB SER A 288 -6.473 55.115 39.250 1.00 36.78

2261 OG SER A 288 -7.633 55.875 39.556 1.00 39.24

2262 C SER A 288 -7.596 54.674 37.088 1.00 37.89

2263 0 SER A 288 -8.806 54.476 36.971 1.00 40.11

2264 N CYS A 289 -6.919 55.453 36.260 1.00 37.36

2265 CA CYS A 289 -7.574 56.124 35.151 1.00 35.65

2266 CB CYS A 289 -6.582 57.012 34.415 1.00 35.18

2267 SG CYS A 289 -7.287 57.868 32.994 1.00 45.03

2268 C CYS A 289 -8.163 55.125 34.182 1.00 33.91

2269 0 CYS A 289 -9.308 55.256 33.765 1.00 36.21

2270 N GLY A 290 -7.370 54.12! 33.818 1.00 33.68

2271 CA GLY A 290 ^■7.843 53.110 32.893 1.00 32.99

2272 C GLY A 290 -9.037 52.319 33.412 1.00 32.82

2273 0 GLY A 290 ^■10.038 52.164 32.713 1.00 36.20

2274 N ASN A 291 -8.951 51.822 34.638 1.00 29.77

2275 CA ASN A 291 •10.056 51.043 35.172 1.00 30.14

2276 CB ASN A 291 -9.687 50.456 36.536 1.00 23.52

2277 CG ASN A 291 -8.664 49.325 36.429 1.00 22.93

2278 ODl ASN A 291 -8.477 48.742 35.362 1.00 22.11

2279 ND2 ASN A 291 -8.014 49.000 37.544 1.00 20.32

2280 C ASN A 291 -11.336 51.886 35.261 1.00 31.58

2281 0 ASN A 291 -12.414 51.425 34.915 1.00 31.63

2282 N THR A 292 ■11.197 53.130 35.696 1.00 32.15

2283 CA THR A 292 ^■12.325 54.040 35.811 1.00 33.22

2284 CB THR A 292 -11.873 55.389 36.381 1.00 33.51

2285 OGl THR A 292 -11.208 55.177 37.635 1.00 34.17

2286 CG2 THR A 292 -13.063 56.310 36.570 1.00 34.42

2287 C THR A 292 -12.992 54.288 34.451 1.00 35.36

2288 O THR A 292 -14.218 54.326 34.353 1.00 36.91

2289 N LEU A 293 •12.186 54.462 33.408 1.00 35.20

2290 CA LEU A 293 ^■12.726 54.705 32.077 1.00 34.55

2291 CB LEU A 293 •11.618 55.129 31.101 1.00 34.69 2292 CG LEU A 293 -11.180 56, .600 31..113 1 , .00 35, .55

2293 CDl LEU A 293 -9.947 56. .777 30. .229 1, .00 35, .37

2294 CD2 LEU A 293 -12.310 57, .479 30. .633 1, .00 30, .63

2295 C LEU A 293 -13.397 5533,. .445566 31. .547 1, .00 33 , .85 2296 O LEU A 293 -14.482 5533.. .551188 30. .979 1, .00 35, .49

2297 N THR A 294 -12.751 5522. .331177 31 .742 1 .00 31 .77 2298 CA THR A 294 -13.298 5511.. .007711 31, .246 1, .00 31, .14

2299 CB THR A 294 -12.185 5500,. .001199 31, .161 1, .00 29, .32

2300 OGl THR A 294 -11.239 5500,. .445599 30, .185 1, .00 30, .65

22330011 CG2 THR A 294 -12.712 4488,. .666633 30, .732 1, .00 27, .21 2302 C THR A 294 -14.500 50, .572 32 .047 1, .00 32 .61 2303 O THR A 294 -15.429 50, .010 31, .478 1, .00 32, .23 2304 N CYS A 295 -14.494 50, .800 33, .354 11,. .0000 3322,. .8811 2305 CA CYS A 295 -15.604 50, .384 34, .198 11,. .0000 3344 , . .0077 2306 CB CYS A 295 -15.284 50.642 35.659 1.00 32.48 2307 SG CYS A 295 -16.599 50.147 36.753 1.00 40.05

2308 C CYS A 295 -16.822 51.202 33.795 1.00 35.89

2309 O CYS A 295 -17.912 50.670 33.574 1.00 38.48

2310 N TYR A 296 -16.616 52.503 33.692 1.00 35.79 22331111 CA TYR A 296 -17.661 53.425 33.294 1.00 38.41

2312 CB TYR A 296 -17.102 54.855 33.277 1.00 38.90

2313 CG TYR A 296 -18.004 55.872 32.622 1.00 42.25

2314 CDl TYR A 296 -18.924 56.602 33.372 1.00 42.66

2315 CEl TYR A 296 -19.777 57.518 32.764 1.00 44.20

2316 CD2 TYR A 296 -17.958 56.091 31.241 1.00 41.20

2317 CE2 TYR A 296 -18.804 57.004 30.630 1.00 40.42

2318 CZ TYR A 296 -19.711 57.710 31.395 1.00 43.80

2319 OH TYR A 296 -20.583 58.594 30.794 1.00 49.72 2320 C TYR A 296 -18.225 53.089 31.907 1.00 40.20 22332211 O TYR A 296 -19.440 53.134 31.704 1.00 41.62 2322 N LEU A 297 -17.344 52.763 30.958 1.00 39.92 2323 CA LEU A 297 -17.777 52.474 29.589 1.00 38.45 2324 CB LEU A 297 -16.571 52.233 28.665 1.00 36.18 2325 CG LEU A 297 -16.855 51.784 27.221 1.00 35.75 22332266 CDl LEU A 297 -17.853 52.738 26.578 1.00 35.08

2327 CD2 LEU A 297 -15.560 51.765 26.409 1.00 37.87

2328 C LEU A 297 -18.706 51.280 29.528 1.00 38.75 2329 O LEU A 291 -19.797 51.356 28.967 1.00 37.31

2330 N LYS A 298 -18.268 50.174 30.104 1.00 36.64

2331 CA LYS A 298 -19.084 48.981 30.098 1.00 38.39

2332 CB LYS A 298 -18.274 47.815 30.651 1.00 36.38

2333 CG LYS A 298 -17.053 47.507 29.795 1.00 36.42

2334 CD LYS A 298 -16.147 46.449 30.429 1.00 35.93

2335 CE LYS A 298 -14.994 46.079 29.503 1.00 33.06

2336 NZ LYS A 298 -14. .260 44. .901 29. .997 1. .00 29. .66

2337 C LYS A 298 -20. ,368 49. .191 30. ,908 1. .00 38. .92

2338 0 LYS A 298 -21. .457 48. .880 30. .446 1. .00 40. .65

2339 N ALA A 299 -20. .232 49. .760 32. .098 1. .00 38. .82

2340 CA ALA A 299 -21. .368 49. .986 32. .972 1. .00 37. .22

2341 CB ALA A 299 -20. .893 50. .559 34. .290 1. .00 32. .48

2342 C ALA A 299 -22. .429 50. .894 32. .355 1. .00 38. .75

2343 0 ALA A 299 -23. .627 50. .648 32. .515 1. .00 38. .91

2344 N ALA A 300 -21. .999 51. .937 31. .653 1. .00 37. .92

2345 CA ALA A 300 -22. .948 52. .864 31. .041 1. .00 36. .79

2346 CB ALA A 300 -22. .235 54, .127 30. .575 1. .00 35. .92

2347 C ALA A 300 -23. .658 52, .199 29. .871 1. .00 37, .79

2348 0 ALA A 300 -24. .819 52. .475 29. .603 1. .00 39, .73

2349 N ALA A 301 -22, .954 51. .324 29. .168 1. .00 38, .22

2350 CA ALA A 301 -23, .553 50, .622 28, .047 1, .00 38, .00

2351 CB ALA A 301 -22, .479 49, .976 27, .187 1, .00 35. .64

2352 C ALA A 301 -24, .483 49, .552 28, ,614 1, .00 37, .66

2353 0 ALA A 301 -25, .547 49, .275 28, .058 1, .00 37, .28

2354 N ALA A 302 -24, .069 48, .957 29, .725 1, .00 34, .84

2355 CA ALA A 302 -24, .857 47, .910 30, .359 1, ,00 34 , .87

2356 CB ALA A 302 -24, .091 47, .307 31, .531 1. .00 32, .79

2357 C ALA A 302 -26, .177 48, .490 30, .835 1, .00 34, .95

2358 0 ALA A 302 -27, .218 47 .885 30, .652 1. .00 35, .67

2359 N CYS A 303 -26, .113 49 .663 31, .456 1. .00 34, .96

2360 CA CYS A 303 -27, .297 50, .345 31, .943 1, .00 37, .33

2361 CB CYS A 303 -26 .958 51 .783 32, .373 1. .00 33, .59

2362 SG CYS A 303 -26 .136 51 .941 33, .978 1. .00 40, .04

2363 C CYS A 303 -28 .335 50 .392 30, .823 1. .00 38, .28

2364 0 CYS A 303 -29. .516 50. .127 31, .048 1. .00 39, .25

2365 N ARG A 304 -27. .873 50. .712 29. .617 1. ,00 38, .37 2366 CA ARG A 304 -28.751 50.822 28.460 1.00 39.36

2367 CB ARG A 304 -27.993 51.396 27.258 1.00 39.14

2368 CG ARG A 304 -27.502 52.821 27.510 1.00 39.41

22336699 CD ARG A 304 -26.895 53.490 26.272 1.00 37.74

22337700 NE ARG A 304 -26.383 54.819 26.616 1.00 35.67

22337711 CZ ARG A 304 -25.854 55.683 25.749 1.00 34.20

22337722 NHl ARG A 304 -25.761 55.37 24.462 1.00 31.31

2373 NH2 ARG A 304 -25.393 56.847 26.177 1.00 28.93

2374 C ARG A 304 -29.409 49.512 28.092 1.00 40.07

22337755 0 ARG A 304 -30.609 49.474 27.845 1.00 42.29

22337766 N ALA A 305 -28.644 48.433 28.056 1.00 38.23

22337777 CA ALA A 305 -29.240 47.155 27.726 1.00 37.66

22337788 CB ALA A 305 -28.173 46.087 27.645 1.00 36.23

22337799 C ALA A 305 -30.259 46.804 28.808 1.00 38.88

22338800 0O ALA A 305 -31.290 46.200 28.537 1.00 39.44

22338811 N ALA A 306 -29.966 47.204 30.037 1.00 40.05

22338822 CA ALA A 306 -30.839 46.905 31.163 1.00 42.59

22338833 CB ALA A 306 -30.028 46.915 32.459 1.00 45.63

22338844 C ALA A 306 -32.032 47.846 31.289 1.00 42.16

22338855 0 ALA A 306 -32.957 47.582 32.044 1.00 41.94

22338866 N LYS A 307 -31.997 48.946 30.553 1.00 42.05

22338877 CA LYS A 307 33.083 49.920 30.579 1.00 43.38

22338888 CB LYS A 307 34.358 49.310 29.980 1.00 43.00

2389 CG LYS A 307 34.246 48.888 28.509 1.00 42.03

2390 CD LYS A 307 33.979 50.061 27.565 1.00 41.90

2391 CE LYS A 307 -34.973 51.194 27.760 1.00 45.13

2392 NZ LYS A 307 -34.792 52.305 26.774 1.00 48.31

2393 C LYS A 307 -33.386 50.475 31.970 1.00 44.08

2394 0 LYS A 307 -34.541 50.616 32.354 1.00 42.27

2395 N LEU A 308 -32.340 50.786 32.722 1.00 45.16

2396 CA LEU A 308 •32.511 51.353 34.049 1.00 46.02

2397 CB LEU A 308 ^•31.166 51.444 34.765 1.00 46.80

2398 CG LEU A 308 •30.507 50.102 35.098 1.00 46.15

2399 CDl LEU A 308 ^■29.219 50.334 35.868 1.00 45.82

2400 CD2 LEU A 308 ^■31.461 49.260 35.923 1.00 45.01

2401 C LEU A 308 ^•33.081 52.741 33.832 1.00 48.03

2402 O LEU A 308 ^■32.816 53.351 32.805 1.00 48.26 2403 N GLN A 309 -33.865 53.235 34.786 1.00 49.71 2404 CA GLN A 309 -34.482 54.552 34.653 1.00 51.15 2405 CB GLN A 309 -35.954 54.493 35.077 1.00 54.08

2406 CG GLN A 309 -36.796 53.470 34.328 1.00 56.64

2407 CD GLN A 309 -38.256 53.456 34.779 1.00 58.24

2408 OEl GLN A 309 -39.033 52.590 34.372 1.00 59.43

2409 NE2 GLN A 309 -38.631 54.418 35.617 1.00 58.75

2410 C GLN A 309 -33.787 55.656 35.444 1.00 52.44

2411 0 GLN A 309 -33.525 55.511 36.646 1.00 50.85

2412 N ASP A 310 -33.511 56.763 34.753 1.00 53.17

2413 CA ASP A 310 -32.864 57.932 35.343 1.00 54.76

2414 CB ASP A 310 -33.890 58.731 36.155 1.00 56.36

2415 CG ASP A 310 -33.338 60.049 36.667 1.00 58.68

2416 ODl ASP A 310 -32.687 60.771 35.880 1.00 59.34

2417 OD2 ASP A 310 -33.567 60.371 37.855 1.00 61.81

2418 C ASP A 310 -31.704 57.509 36.234 1.00 55.33

2419 O ASP A 310 -31.567 57.975 37.369 1.00 55.76 2420 N CYS A 311 -30.859 56.634 35.703 1.00 54.26 2421 CA CYS A 311 ^■29.731 56.119 36.465 1.00 54.87 2422 CB CYS A 311 -29.281 54.781 35.884 1.00 55.15 2423 SG CYS A 311 -28.619 54.936 34.241 1.00 59.14 2424 C CYS A 311 -28.528 57.048 36.563 1.00 52.96 2425 0 CYS A 311 -28.137 57.706 35.594 1.00 52.92 2426 N THR A 312 -27.946 57.079 37.754 1.00 50.31 2427 CA THR A 312 -26.779 57.890 38.029 1.00 49.29

2428 CB THR A 312 -27.077 58.915 39.124 1.00 49.44

2429 OGl THR A 312 -28.119 59.790 38.675 1.00 52.43

2430 CG2 THR A 312 -25.839 59.726 39.447 1.00 46.19

2431 C THR A 312 -25.677 56.951 38.499 1.00 47.98

2432 O THR A 312 -25.886 56.131 39.397 1.00 47.97

2433 N MET A 313 ^■24.512 57.064 37.876 1.00 45.70

2434 CA MET A 313 -23.379 56.229 38.225 1.00 44.09

2435 CB MET A 313 -22.757 55.652 36.968 1.00 45.11

2436 CG MET A 313 -23.568 54.599 36.278 1.00 44.91

2437 SD MET A 313 -22.861 54.286 34.657 1.00 49.32

2438 CE MET A 313 ^■21.279 53.714 35.091 1.00 50.83

2439 C MET A 313 ^■22.302 56.991 38.975 1.00 43.26 2440 O MET A 313 -22.112 58.183 38.763 1.00 44.41 2441 N LEU A 314 -21.597 56.288 39.851 1.00 40.76

2442 CA LEU A 314 -20.501 56.870 40.611 1.00 37.70

2443 CB LEU A 314 -20.878 57.043 42.088 1.00 37.06 2444 CG LEU A 314 -19.820 57.776 42.934 1.00 37.95

2445 CDl LEU A 314 -19.511 59.125 42.302 1.00 36.09

2446 CD2 LEU A 314 -20.288 57.955 44.357 1.00 35.67

2447 C LEU A 314 -19.376 55.855 40.460 1.00 37.60

2448 0 LEU A 314 -19.435 54.759 41 . 017 1.00 37.04 2449 N VAL A 315 • 18 . 353 56 . 214 39 . 695 1.00 37.07

2450 CA VAL A 315 ^■ 17 . 250 55 . 298 39 . 450 1.00 36.03

2451 CB VAL A 315 ^■ 17 . 061 55 . 096 37.931 1.00 36.92

2452 CGI VAL A 315 • 16 . 362 53 . 784 37.660 1.00 37.73

2453 CG2 VAL A 315 - 18 . 404 55 . 140 37.239 1.00 37.41

2454 C VAL A 315 ^■ 15 . 917 55 . 717 40.051 1.00 36.09

2455 O VAL A 315 -15.507 56.878 39.942 1.00 36.39

2456 N ASN A 316 -15.257 54.756 40.694 1.00 36.87

2457 CA ASN A 316 •13.930 54.938 41.303 1.00 36.96

2458 CB ASN A 316 -13. .994 55, .048 42, .828 1, .00 36, .44

2459 CG ASN A 316 -14, .446 56, .405 43, .306 1, .00 40. .02

2460 ODl ASN A 316 -15, .626 56, .752 43 .211 1, .00 42. .16

2461 ND2 ASN A 316 -13, .507 57, .185 43 .832 1, .00 37. .09

2462 C ASN A 316 -13 .129 53, .687 40 .967 1, .00 36, .75

2463 0 ASN A 316 -13 .199 52 .694 41 .692 1 .00 38, .91

2464 N GLY A 317 -12 .369 53, .734 39 .879 1 .00 36, .08

2465 CA GLY A 317 -11 .590 52 .580 39 .481 1 .00 34, .51

2466 C GLY A 317 -12, .555 51, .487 39, .086 1, .00 36. .07

2467 0 GLY A 317 -13, .362 51, .670 38, .176 1, .00 38, .72

2468 N ASP A 318 -12, .499 50, .357 39, .775 1, .00 33, .72

2469 CA ASP A 318 -13, .393 49, .253 39 .475 1, .00 35, .23

2470 CB ASP A 318 -12, .656 47, .927 39 .654 1, .00 33, .81

2471 CG ASP A 318 -12, .223 47, .705 41 .084 1, .00 34, .69

2472 ODl ASP A 318 -12 .224 48, .685 41 .862 1, .00 36, .75

2473 OD2 ASP A 318 -11 .872 46 .562 41 .432 1, .00 35 .29

2474 C ASP A 318 -14 .594 49 .292 40 .419 1 .00 37 .83

2475 0 ASP A 318 -15, .522 48, .494 40 .290 1 , .00 38. .40

2476 ■14.565 50.210 41.377 1.00 37.96 2477 CA ASP A 319 -15.652 50.315 42.332 1.00 39.78

2478 CB ASP A 319 -15.177 51.039 43.595 1.00 44.95

2479 CG ASP A 319 -15.894 50.556 44.841 1.00 49.38

2480 ODl ASP A 319 -15.506 49.498 45.378 1.00 54.34

2481 OD2 ASP A 319 -16.856 51.219 45.271 1.00 51.13

2482 C ASP A 319 -16.827 51.057 41.694 1.00 38.82

2483 O ASP A 319 -16.724 52.241 41.358 1.00 38.16

2484 N LEU A 320 -17.951 50.354 41.555 1.00 36.14

2485 CA LEU A 320 -19.137 50.914 40.908 1.00 34.08

2486 CB LEU A 320 -19.328 50.234 39.547 1.00 27.75

2487 CG LEU A 320 -20.613 50.509 38.762 1.00 29.18

2488 CDl LEU A 320 -20.703 51.979 38.348 1.00 27.90

2489 CD2 LEU A 320 -20.629 49.603 37.539 1.00 28.49

2490 C LEU A 320 -20.460 50.870 41.676 1.00 34.81

2491 O LEU A 320 -20.878 49.828 42.200 1.00 34.80 2492 N VAL A 321 -21.125 52.018 41.725 1.00 35.29 2493 CA VAL A 321 -22.415 52.106 42.378 1.00 36.34

2494 CB VAL A 321 -22. .297 52, .785 43 , .775 1. .00 36. .61

2495 CGI VAL A 321 -21. .933 54 , .243 43 , .644 1, .00 35. .23

2496 CG2 VAL A 321 -23, .577 52, .613 44 , .527 1, .00 35, .69

2497 C VAL A 321 -23, .380 52, .857 41, .454 1, .00 37, .91

2498 0 VAL A 321 -23, .047 53 .891 40, .880 1, .00 37, .71

2499 N VAL A 322 -24, .572 52 .293 41, .292 1, .00 40, .77

2500 CA VAL A 322 -25, .609 52 .859 40 .432 1, .00 40, .92

2501 CB VAL A 322 -25, .963 51 .880 39 .303 1, .00 41, .95

2502 CGI VAL A 322 -27, .187 52 .370 38 .551 1 .00 42 .05

2503 CG2 VAL A 322 -24 , .784 51, .726 38, .371 1, .00 40, .68

2504 C VAL A 322 -26, .892 53, .157 41, .196 1, .00 41, .71

2505 0 VAL A 322 -27, .385 52 .320 41 .941 1, .00 42, .18

2506 N ILE A 323 -27, .431 54 .355 41, .009 1, .00 43 , .44

2507 CA ILE A 323 -28, .675 54 .738 41 .661 1, .00 43 , .72

2508 CB ILE A 323 -28, .490 55 .935 42 .607 1, .00 45, .29

2509 CG2 ILE A 323 -29, .850 56 .390 43 .147 1, .00 44 .06

2510 CGI ILE A 323 -27, .554 55 .547 43 .752 1 .00 43 .42

2511 CDl ILE A 323 -27. .360 56 .642 44 .766 1 .00 44 .15

2512 C ILE A 323 -29, .661 55, .123 40, .577 1, .00 44 , .66

2513 0 ILE A 323 -29, .324 55, .853 39, .650 1, .00 46, .95 2514 N CYS A 324 30.886 54.636 40.687 1.00 46.01 2515 CA CYS A 324 31.874 54.938 39.673 1.00 46.10 2516 CB CYS A 324 31.789 53.911 38.556 1.00 47.86 2517 SG CYS A 324 32.106 52.248 39.144 1.00 50.72 2518 C CYS A 324 33.280 54.943 40.209 1.00 45.32 2519 0 CYS A 324 -33.517 54.725 4411..339977 1.00 45.41 2520 N GLU A 325 -34.213 55.183 3399..229977 1.00 44.81 2521 CA GLU A 325 -35.625 55.213 3399..662211 1.00 43.33 2522 CB GLU A 325 -36.360 56.090 3388..660088 1.00 45.01 2523 CG GLU A 325 -37.716 56.576 3399..008800 1.00 48.75 2524 CD GLU A 325 ^■37.606 57.538 4400..224455 1.00 50.13

2525 OEl GLU A 325 -37.264 58.717 4400..000066 1.00 51.31

2526 OE2 GLU A 325 •37.844 57.114 41.395 1.00 48.83

2527 C GLU A 325 -36.122 53.771 39.540 1.00 41.70 2528 O GLU A 325 -35.876 53.081 3388..555544 1.00 42.74 2529 N SER A 326 -36.804 53.306 4400..557744 1.00 39.29

2530 CA SER A 326 -37.302 51.939 4400..555577 1.00 40.23

2531 CB SER A 326 -37.685 51.496 4411..996633 1.00 40.76

2532 OG SER A 326 -38.336 50.241 4411..990044 1.00 40.93

2533 C SER A 326 -38.501 51.749 3399..663322 1.00 38.99

2534 O SER A 326 -39.286 52.661 3399..442200 1.00 41.15

2535 N ALA A 327 -38.632 50.553 3399..008800 1.00 38.63

2536 CA ALA A 327 -39.742 50.229 3388..118877 1.00 38.46

2537 CB ALA A 327 -39.207 49.818 3366..882299 1.00 35.52

2538 C ALA A 327 -40.538 49.079 3388..779922 1.00 37.48

2539 O ALA A 327 -41.208 48.334 3388..007788 1.00 40.76

2540 N GLY A 328 -40.456 48.945 4400..111111 1.00 38.58

2541 CA GLY A 328 -41.123 47.855 4400..881100 1.00 40.14

2542 C GLY A 328 -40.059 46.838 4411..221122 1.00 41.85

2543 O GLY A 328 -39.065 46.662 4400..449999 1.00 43.30

2544 N THR A 329 -40.249 46.154 4422..333322 1.00 40.30

2545 CA THR A 329 -39.247 45.203 4422..777777 1.00 41.08

2546 CB THR A 329 -39.639 44.570 4444..110099 1.00 42.77

2547 OGl THR A 329 -40.757 43.699 4433..991144 1.00 44.33

2548 CG2 THR A 329 -39.995 45.646 4455..111133 1.00 42.50

2549 C THR A 329 -38.923 44.082 4411..779944 1.00 40.84

2550 O THR A 329 ^■37.761 43.745 41.611 1.00 44.31 2551 N GLN A 330 -39.924 43.498 41.153 1.00 40.26

2552 CA GLN A 330 -39.627 42.416 40.229 1.00 39.69

2553 CB GLN A 330 -40.891 41.647 39.856 1.00 38.02

2554 CG GLN A 330 -41.470 40.885 41.021 1.00 41.71 2555 CD GLN A 330 -42.608 39.969 40.619 1.00 4 .16

2556 OEl GLN A 330 -42.546 38.757 40.825 1.00 45.83

2557 NE2 GLN A 330 -43.654 40.545 40.038 1.00 44.96

2558 C GLN A 330 -38.924 42.906 38.982 1.00 39.23

2559 O GLN A 330 -38.011 42.247 38.479 1.00 39.83 2560 N GLU A 331 -39.346 44.054 38.470 1.00 38.99

2561 CA GLU A 331 -38.700 44.594 37.286 1.00 39.19

2562 CB GLU A 331 -39.472 45.799 36.734 1.00 37.65

2563 CG GLU A 331 -40.620 45.415 35.797 1.00 39.07

2564 CD GLU A 331 -41.957 45.186 36.513 1.00 39.88 2565 OEl GLU A 331 -41.956 44.728 37.673 1.00 36.79

2566 OE2 GLU A 331 -43.013 45.452 35.896 1.00 40.94

2567 C GLU A 331 -37.259 44.986 37.617 1.00 39.20

2568 O GLU A 331 -36.365 44.800 36.807 1.00 41.21

2569 N ASP A 332 -37.045 45.513 38.818 1.00 40.09 2570 CA ASP A 332 -35.716 45.922 39.258 1.00 40.26

2571 CB ASP A 332 -35.785 46.537 40.657 1.00 40.04

2572 CG ASP A 332 -36.316 47.960 40.651 1.00 43.95

2573 ODl ASP A 332 -36.426 48.558 41.747 1.00 46.28

2574 OD2 ASP A 332 -36.623 48.485 39.559 1.00 42.13 2575 C ASP A 332 ^■34.746 44.740 39.271 1.00 40.29

2576 O ASP A 332 -33.609 44.856 38.816 1.00 39.41

2577 N ALA A 333 ■35.197 43.609 39.802 1.00 36.62

2578 CA ALA A 333 ^■34.363 42.426 39.866 1.00 35.44

2579 CB ALA A 333 -35.089 41.318 40.598 1.00 33.25 2580 C ALA A 333 -33.993 41.965 38.467 1.00 37.65

2581 O ALA A 333 -32.832 41.633 38.189 1.00 39.65

2582 N ALA A 334 -34.988 41.932 37.587 1.00 35.96

2583 CA ALA A 334 -34.764 41.507 36.218 1.00 36.89

2584 CB ALA A 334 -36.092 41.454 35.455 1.00 35.47 2585 C ALA A 334 -33.800 42.457 35.520 1.00 37.11

2586 O ALA A 334 -32.901 42.016 34.807 1.00 39.34

2587 N SER A 335 -33.986 43.757 35.724 1.00 35.60 2588 CA SER A 335 -33.124 44.748 35.092 1.00 37.75

2589 CB SER A 335 -33.573 46.151 35.459 1.00 35.44

2590 OG SER A 335 -33.672 46.260 36.860 1.00 39.30

2591 C SER A 335 -31.677 44.555 35.523 1.00 39.38 2592 O SER A 335 -30.753 44.768 34.738 1.00 38.74 2593 N LEU A 336 ^■31.492 44.150 36.775 1.00 39.05 2594 CA LEU A 336 -30.167 43.923 37.301 1.00 41.49 2595 CB LEU A 336 -30.218 43.771 38.819 1.00 42.01

2596 CG LEU A 336 -29.471 44.893 39.538 1.00 43.75

2597 CDl LEU A 336 -30.067 46.234 39.131 1.00 45.38

2598 CD2 LEU A 336 -29.545 44.695 41.035 1.00 43.96

2599 C LEU A 336 -29.549 42.693 36.666 1.00 41.04

2600 O LEU A 336 -28.363 42.668 36.372 1.00 43.57

2601 N ARG A 337 -30.359 41.674 36.436 1.00 42.47

2602 CA ARG A 337 -29.852 40.458 35.825 1.00 42.07

2603 CB ARG A 337 -30.913 39.355 35.906 1.00 44.48

2604 CG ARG A 337 -31.309 39.039 37.356 1.00 52.69

2605 CD ARG A 337 -32.278 37.863 37.510 1.00 58.46

2606 NE ARG A 337 -31.633 36.558 37.365 1.00 63.86

2607 CZ ARG A 337 -31.377 35.955 36.205 1.00 67.58

2608 NHl ARG A 337 -31.718 36.532 35.058 1.00 67.49

2609 NH2 ARG A 337 -30.766 34.773 36.193 1.00 68.81

2610 C ARG A 337 -29.428 40.727 34.379 1.00 41.08

2611 O ARG A 337 -28.544 40.055 33.847 1.00 42.92 2612 N VAL A 338 -30.036 41.722 33.744 1.00 37.44 2613 CA VAL A 338 -29.671 42.036 32.375 1.00 36.76 2614 CB VAL A 338 -30.805 42.788 31.654 1.00 34.69

2615 CGI VAL A 338 -30.369 43.225 30.276 1.00 33.60

2616 CG2 VAL A 338 -32.003 41.873 31.540 1.00 38.05

2617 C VAL A 338 ^■28.397 42.866 32.398 1.00 36.27

2618 O VAL A 338 -27.483 42.633 31.607 1.00 36.39

2619 N PHE A 339 -28.347 43.832 33.310 1.00 35.08

2620 CA PHE A 339 -27.173 44.674 33.475 1.00 35.02

2621 CB PHE A 339 -27.295 45.534 34.737 1.00 35.56

2622 CG PHE A 339 ^■26.030 46.291 35.090 1.00 37.29

2623 CDl PHE A 339 ^■25.796 47.568 34.577 1.00 36.38

2624 CD2 PHE A 339 ^■25.073 45.721 35.932 1.00 34.63 2625 CEl PHE A 339 -24.628 48.272 34.894 1.00 36.99

2626 CE2 PHE A 339 -23.905 46.416 36.252 1.00 36.53

2627 CZ PHE A 339 -23.679 47.696 35.733 1.00 34.44

2628 C PHE A 339 -25.994 43.735 33.651 1.00 36.12 2629 O PHE A 339 -24.958 43.888 33.012 1.00 34.47 2630 N THR A 340 -26.174 42.763 34.538 1.00 34.30 2631 CA THR A 340 -25.139 41.789 34.821 1.00 34.62 2632 CB THR A 340 25.586 40.827 35.940 1.00 33.18 2633 OGl THR A 340 25.841 41.585 37.131 1.00 33.45 22663344 CG2 THR A 340 -24.501 39.789 36.231 1.00 31.07 2635 C THR A 340 -24.767 40.990 33.585 1.00 36.74 2636 O THR A 340 -23.603 40.627 33.415 1.00 39.10 2637 N GLU A 341 -25.752 40.724 32.727 1.00 37.24 2638 CA GLU A 341 -25.537 39.959 31.494 1.00 38.14 2639 CB GLU A 341 -26.877 39.544 30.864 1.00 41.86 2640 CG GLU A 341 -27.346 38.144 31.266 1.00 48.20 2641 CD GLU A 341 -28.850 37.911 31.061 1.00 50.80 2642 OEl GLU A 341 -29.308 36.779 31.320 1.00 52.44

2643 OE2 GLU A 341 -29.573 38.846 30.651 1.00 51.20

2644 C GLU A 341 -24.726 40.744 30.478 1.00 36.01

2645 O GLU A 341 -23.887 40.185 29.778 1.00 37.68 2646 N ALA A 342 -24.994 42.038 30.392 1.00 31.28

2647 CA ALA A 342 -24.273 42.899 29.473 1.00 30.75

2648 CB ALA A 342 -24.984 44.232 29.357 1.00 28.23

2649 C ALA A 342 -22.820 43.094 29.966 1.00 30.52 2650 O ALA A 342 -21.873 43.038 29.178 1.00 30.23 2651 N MET A 343 ^■ 22 . 654 43.332 31 . 264 1.00 28.34 2652 CA MET A 343 - 21 . 316 43.490 31.827 1.00 30.64 2653 CB MET A 343 - 21 . 362 43.686 33.347 1.00 31.02 22665544 CG MET A 343 - 21 . 896 45.034 33.809 1.00 30.90 2655 SD MET A 343 - 20 . 996 46.451 33.110 1.00 33.85 2656 CE MET A 343 - 19 . 619 46.561 34.276 1.00 28.34 2657 C MET A 343 - 20 . 542 42.209 31.521 1.00 32.46 2658 O MET A 343 - 19 . 409 42.252 31.049 1.00 32.02 22665599 N THR A 344 - 21 . 175 41.069 31.778 1.00 31.30 2660 CA THR A 344 ^■ 20 . 535 39.786 31.542 1.00 32.23 2661 CB THR A 344 ^• 21 . 479 38.617 31.887 1.00 33.73 2662 OGl THR A 344 -21.779 38.645 33.291 1.00 35.20

2663 CG2 THR A 344 -20.838 37.276 31.503 1.00 27.68

2664 C THR A 344 -20.108 39.654 30.092 1.00 34.54

2665 O THR A 344 -19.049 39.108 29.794 1.00 35.21

2666 N ARG A 345 -20.943 40.156 29.194 1.00 35.54

2667 CA ARG A 345 -20.645 40.087 27.776 1.00 37.06

2668 CB ARG A 345 -21.861 40.513 26.943 1.00 38.96

2669 CG ARG A 345 -22.911 39.420 26.711 1.00 39.11

2670 CD ARG A 345 -23.892 39.869 25.621 1.00 39.97

2671 NE ARG A 345 -24.841 40.892 26.068 1.00 40.28

2672 CZ ARG A 345 •26.016 40.624 26.639 1.00 40.99

2673 NHl ARG A 345 ^■26.389 39.368 26.831 1.00 40.45

2674 NH2 ARG A 345 -26.829 41.607 27.008 1.00 38.64

2675 C ARG A 345 -19.468 40.988 27.449 1.00 37.87

2676 O ARG A 345 -18.663 40.665 26.587 1.00 40.25

2677 N TYR A 346 ^■19.379 42.120 28.141 1.00 37.96

2678 CA TYR A 346 ^■18.303 43.079 27.926 1.00 38.64

2679 CB TYR A 346 ^■18.699 44.463 28.450 1.00 36.84

2680 CG TYR A 346 ^■19.843 45.140 27.728 1.00 37.39

2681 CDl TYR A 346 ^■20.649 46.070 28.394 1.00 38.57

2682 CEl TYR A 346 -21.667 46.751 27.737 1.00 36.19

2683 CD2 TYR A 346 ^■20.090 44.905 26.380 1.00 34.20

2684 CE2 TYR A 346 ■21.104 45.582 25.713 1.00 35.44

2685 CZ TYR A 346 ^■21.886 46.509 26.395 1.00 36.59

2686 OH TYR A 346 ^■ 2222..885555 4477..222299 25.732 1.00 34.99 2687 C TYR A 346 ^■17.035 42.634 28.646 1.00 40.96 2688 O TYR A 346 ^■16.118 43.430 28.833 1.00 43.63 2689 N SER A 347 -16.990 41.373 29.059 1.00 40.84

2690 CA SER A 347 ^■15.832 40.859 29.764 1.00 42.77

2691 CB SER A 347 -14.557 41.149 28.981 1.00 42.51

2692 OG SER A 347 -13.434 40.835 29.771 1.00 37.92

2693 C SER A 347 15.682 41.469 31.151 1.00 45.18

2694 O SER A 347 14.644 42.074 31.464 1.00 48.47

2695 N ALA A 348 -16.711 41.322 31.977 1.00 41.37 2696 CA ALA A 348 -16.662 41.859 33.323 1.00 38.35 2697 CB ALA A 348 -16.796 43.362 33.291 1.00 36.26 2698 C ALA A 348 ^■17.735 41.245 34.207 1.00 38.12 2699 0 ALA A 348 18.587 41.942 34.748 1.00 35.59

2700 N PRO A 349 17.700 39.915 34.359 1.00 37.77

2701 CD PRO A 349 -16.749 38.967 33.761 1.00 39.95

2702 CA PRO A 349 -18.672 39.212 35.189 1.00 39.06

2703 CB PRO A 349 -18.348 37.742 34.947 1.00 40.36

2704 CG PRO A 349 -16.899 37.768 34.661 1.00 40.82

2705 C PRO A 349 -18.467 39.618 36.621 1.00 39.56

2706 0 PRO A 349 -17.456 40.218 3366.. .996677 1. .00 39. .62

2707 N PRO A 350 -19.427 39.294 3377.. .448800 1. .00 40. .27 2708 CD PRO A 350 -20.795 38.859 37. .141 1. .00 42, .44

2709 CA PRO A 350 -19.337 39.646 38. .894 1. .00 40, .27

2710 CB PRO A 350 -20.768 40.052 3399.. .220088 1. .00 42, .53 2711 CG PRO A 350 -21.530 38.986 3388.. .447777 1. .00 40, .66 2712 C PRO A 350 -18.877 38.503 3399.. .778811 1. .00 40, .39 22771133 O PRO A 350 -18.826 37.352 3399.. .335533 1. .00 41, .42 2714 N GLY A 351 -18.520 38.838 4411., .001155 1. .00 39, .65 2715 CA GLY A 351 ^■18.141 37.823 4411.. .997700 1. .00 41, .01 2716 C GLY A 351 •19.483 37.609 4422.. .663399 1. .00 43, .29 2717 O GLY A 351 •20.220 36.684 4422.. .330022 1. .00 43, .73 2718 N ASP A 352 ^•19.815 38.495 4433.. .556666 1. .00 43 .79

2719 CA ASP A 352 -21.102 38.433 4444.. .223399 1. .00 46 .74

2720 CB ASP A 352 ^■21.034 39.209 4455., .555511 1. .00 49 .51

2721 CG ASP A 352 ^■20.003 38.639 4466., .550066 1. .00 54 .28 2722 ODl ASP A 352 ^■19.575 39.359 4477., .443399 1. .00 55 .15 22772233 OD2 ASP A 352 ^■19.626 37.461 4466., .332233 1. .00 56 .16 2724 C ASP A 352 ^■ 22 . 078 39.103 4433., .226666 1. .00 47 .10 2725 O ASP A 352 - 21 . 768 4 0 . 141 4422. .668833 1. .00 48 .09 2726 N PRO A 353 - 23 . 258 38 . 504 4433. .005555 1. .00 45 .48 2727 CD PRO A 353 ^■ 23 . 718 37.204 43, .565 1. .00 44 .33 2728 CA PRO A 353 - 24 . 245 39.079 42 .134 1. .00 42 .40

2729 CB PRO A 353 - 25 . 272 37 . 955 4411. .997722 1, .00 43 .82

2730 CG PRO A 353 - 24 . 543 36 . 718 4422. .441166 1, .00 44 .39

2731 C PRO A 353 -24.887 40.337 4422. .770011 1. .00 39 .86

2732 O PRO A 353 -25.288 40.371 4433. .885599 1. .00 40 .34 2733 N PRO A 354 -25.017 41.379 4411. .888844 1. .00 37 .53

2734 CD PRO A 354 -24.832 41.427 4400., .442277 1. .00 35 .16

2735 CA PRO A 354 -25.630 42.613 4422 ,. .338811 1. .00 36, .74 2736 CB PRO A 354 -25.553 43.537 41.170 1.00 34.53

2737 CG PRO A 354 -25.726 42.590 40.026 1.00 35.19

2738 C PRO A 354 -27.077 42.398 42.881 1.00 40.63

2739 O PRO A 354 -27.808 41.537 42.371 1.00 40.02 2740 N GLN A 355 -27.473 43.185 43.877 1.00 41.68

2741 CA GLN A 355 -28.809 43.096 44.459 1.00 45.33

2742 CB GLN A 355 -28.758 42.399 45.826 1.00 48.62

2743 CG GLN A 355 -28.352 40.928 45.793 1.00 54.96

2744 CD GLN A 355 -29.472 40.019 45.306 1.00 59.94 2745 OEl GLN A 355 30. .471 39. .812 46. .005 1. ,00 63. .64

2746 NE2 GLN A 355 29. .315 39. .475 44. .101 1. ,00 61. .39

2747 C GLN A 355 29. .413 44 , .484 44. .646 1. .00 46. .07

2748 O GLN A 355 28. .756 45, .405 45. .138 1. .00 46. .12

2749 N PRO A 356 30. .677 44 , .653 44 , .251 1. .00 47. .27 2750 CD PRO A 356 31, .602 43. .674 43 , .663 1. .00 47. .88

2751 CA PRO A 356 31. .320 45, .958 44 , .406 1. .00 45, .54

2752 CB PRO A 356 32. .681 45, .757 43, .743 1. .00 46. .95

2753 CG PRO A 356 32. .942 44, .305 43 , .945 1. .00 49, .20

2754 C PRO A 356 31. .421 46 .295 45, .879 1. .00 43. .35 2755 O PRO A 356 31, .603 45 .419 46, .714 1, .00 43. .50

2756 N GLU A 357 31, .284 47 .570 46 .197 1, .00 43. .57

2757 CA GLU A 357 31, .338 48 .005 47 .582 1. .00 42, .75

2758 CB GLU A 357 29, .931 48 .373 48 .057 1, .00 41, .95

2759 CG GLU A 357 29, .730 48 .258 49 .542 1, .00 44 , .67 2760 CD GLU A 357 29, .789 46 .812 50 .028 1, .00 46 .35

2761 OEl GLU A 357 28 .896 46 .001 49 .667 1, .00 43 .45

2762 OE2 GLU A 357 30 .737 46 .491 50 .773 1, .00 44 .19

2763 C GLU A 357 32 .234 49 .224 47 .607 1. .00 42 .33

2764 O GLU A 357 32 .156 50 .050 46 .707 1, .00 44 .40 2765 N TYR A 358 33 .084 49 .348 48 .621 1. .00 41 .77

2766 CA TYR A 358 33 .979 50 .500 48 .673 1, .00 40 .54

2767 CB TYR A 358 35 .432 50 .032 48 .659 1, .00 37 .17

2768 CG TYR A 358 -35.754 49.239 47.415 1.00 37.88

2769 CDl TYR A 358 -35.593 47.851 47.382 1.00 37.90 2770 CEl TYR A 358 -35.837 47.121 46.212 1.00 36.32

2771 CD2 TYR A 358 -36.166 49.882 46.247 1.00 37.17

2772 CE2 TYR A 358 -36.411 49.170 45.077 1.00 36.87 2773 CZ TYR A 358 -36.245 47.792 45.062 1.00 37.68 2774 OH TYR A 358 -36.476 47.102 43.893 1.00 37.36 2775 C TYR A 358 -33.721 51.421 49.848 1.00 41.73 2776 O TYR A 358 -34.486 52.353 50.099 1.00 43.16 2777 N ASP A 359 -32.629 51.150 50.556 1.00 42.32 2778 CA ASP A 359 -32.194 51.940 51.702 1.00 42.55 2779 CB ASP A 359 -32.189 51.089 52.980 1.00 46.20

2780 CG ASP A 359 -33.586 50.907 53.580 1.00 51.23

2781 ODl ASP A 359 -33.953 51.705 54.479 1.00 52.31 22778822 OD2 ASP A 359 ^■34.313 49.974 53.150 1.00 50.80 2783 C ASP A 359 •30.775 52.368 51.376 1.00 41.74 2784 O ASP A 359 -29.902 51.523 51.206 1.00 41.88 2785 N LEU A 360 ^■30.539 53.671 51.290 1.00 41.72 2786 CA LEU A 360 -29.211 54.164 50.973 1.00 41.34 2787 CB LEU A 360 -29.209 55.690 50.868 1.00 42.92 2788 CG LEU A 360 -27.844 56.350 50.613 1.00 43.36

2789 CDl LEU A 360 -27.345 55.995 49.222 1.00 43.68

2790 CD2 LEU A 360 -27.971 57.856 50.741 1.00 42.24

2791 C LEU A 360 -28.160 53.735 51.986 1.00 41.43 2792 O LEU A 360 -27.031 53.434 51.614 1.00 39.89 2793 N GLU A 361 -28.531 53.693 53.261 1.00 40.53 2794 CA GLU A 361 -27.578 53.322 54.297 1.00 41.24 2795 CB GLU A 361 -28.119 53.698 55.673 1.00 41.42 2796 CG GLU A 361 -28.693 55.091 55.716 1.00 43.62 22779977 CD GLU A 361 -29.069 55.541 57. Ill 1.00 46.44

2798 OEl GLU A 361 -29.727 56.594 57.219 1.00 48.07

2799 OE2 GLU A 361 -28.705 54.855 58.093 1.00 46.57

2800 C GLU A 361 -27.199 51.847 54.277 1.00 42.03 2801 O GLU A 361 -26.302 51.428 55.009 1.00 43.20 22880022 N LEU A 362 -27.873 51.057 53.448 1.00 40.52

2803 CA LEU A 362 -27.557 49.638 53.364 1.00 40.82

2804 CB LEU A 362 -28.842 48.809 53.327 1.00 43.47

2805 CG LEU A 362 -29.784 48.952 54.523 1.00 46.18

2806 CDl LEU A 362 -30.994 48.058 54.319 1.00 44.63 2807 CD2 LEU A 362 -29.054 48.588 55.812 1.00 46.13

2808 C LEU A 362 -26.714 49.356 52.117 1.00 40.42

2809 O LEU A 362 ^■26.460 48.209 51.765 1.00 40.10 2810 N ILE A 363 -26.281 50.412 51.446 1.00 38.75 2811 CA ILE A 363 -25.472 50.240 50.251 1.00 38.44 2812 CB ILE A 363 -25.875 51.240 49.155 1.00 41.79 2813 CG2 ILE A 363 -24.870 51.194 48.020 1.00 42.43 2814 CGI ILE A 363 -27.271 50.909 48.634 1.00 40.20

2815 CDl ILE A 363 -27.736 51.835 47.544 1.00 43.85

2816 C ILE A 363 -23.989 50.418 50.538 1.00 37.65

2817 O ILE A 363 -23.598 51.334 51.235 1.00 36.26 2818 N THR A 364 -23.165 49.524 50.019 1.00 36.98 2819 CA THR A 364 -21.736 49.661 50.225 1.00 38.73 2820 CB THR A 364 -21.092 48.406 50.879 1.00 41.21

2821 OGl THR A 364 -21.626 48.206 52.194 1.00 45.14

2822 CG2 THR A 364 -19.586 48.595 50.996 1.00 39.40

2823 C THR A 364 •21.012 49.894 48.907 1.00 40.53 2824 O THR A 364 -21.043 49.039 48.018 1.00 39.60 2825 N SER A 365 -20.388 51.062 48.774 1.00 38.54 2826 CA SER A 365 -19.590 51.364 47.588 1.00 37.75 2827 CB SER A 365 -20.317 52.308 46.621 1.00 36.81

2828 OG SER A 365 -20.497 53.590 47.172 1.00 36.79

2829 C SER A 365 -18.317 52.001 48.115 1.00 37.73

2830 O SER A 365 -18.358 52.842 49.011 1.00 39.32 2831 N CYS A 366 -17.185 51.582 47.570 1.00 37.10 2832 CA CYS A 366 -15.901 52.085 48.012 1.00 37.06 2833 CB CYS A 366 -15.804 53.601 47.770 1.00 38.23 2834 SG CYS A 366 -15.438 54.046 46.020 1.00 40.52 2835 C CYS A 366 -15.743 51.726 49.493 1.00 36.34 2836 O CYS A 366 -15.348 52.544 50.328 1.00 38.70 2837 N SER A 367 -16.073 50.471 49.789 1.00 34.99

2838 CA SER A 367 -15.992 49.900 51.125 1.00 33.73

2839 CB SER A 367 -14.524 49.717 51.527 1.00 32.74

2840 OG SER A 367 -13.879 48.774 50.697 1.00 34.89

2841 C SER A 367 -16.709 50.696 52.206 1.00 33.78

2842 O SER A 367 -16.404 50.555 53.385 1.00 36.31

2843 N SER A 368 -17.688 51.502 51.830 1.00 34.08

2844 CA SER A 368 -18.357 52.310 52.827 1.00 34.51

2845 CB SER A 368 -17.702 53.693 52.870 1.00 34.64

2846 OG SER A 368 -16.296 53.603 52.731 1.00 37.50 2847 C SER A 368 -19.846 52.484 52,.592 1..00 35,.02

2848 0 SER A 368 -20.361 52.216 51, .508 1. .00 36, .12

2849 N ASN A 369 -20.527 52.957 53, .630 1. ,00 36, .57

2850 CA ASN A 369 -21.950 53.225 53, .567 1. .00 35, .50

2851 CB ASN A 369 -22.771 52.073 54 .187 1. .00 33 , .64

2852 CG ASN A 369 -22.648 51.988 5555. .771100 1. .00 33, .96

2853 ODl ASN A 369 -21.804 51.259 5566. .223388 1. .00 32, .17

2854 ND2 ASN A 369 -23.501 52.735 5566,. .442200 1. .00 32, .83

2855 C ASN A 369 -22.261 54.534 5544,. .228866 1. .00 36, .38

2856 O ASN A 369 -21.517 54.971 55, .165 1. .00 35, .87

2857 N VAL A 370 -23.362 55.154 53 .871 1. .00 37, .47

2858 CA VAL A 370 -23.853 56.394 5544. .443399 1. .00 38, .57

2859 CB VAL A 370 -24.907 57.034 5533. .550077 1. .00 38, .54

2860 CGI VAL A 370 -25.426 58.337 5544. .110011 1. .00 34 , .27

2861 CG2 VAL A 370 -24.315 57.260 5522. .112222 1. .00 40, .06

2862 C VAL A 370 -24.540 56.063 5555. .776655 1, .00 41, .80

2863 O VAL A 370 -25.185 55.015 5555. .990033 1. .00 42, .56

2864 N SER A 371 -24.388 56.953 5566..773388 1, .00 42, .65

2865 CA SER A 371 -25.019 56.793 5588..004411 1. .00 44 .19

2866 CB SER A 371 -24.093 56.085 5599..002255 1. .00 44 .03

2867 OG SER A 371 -24.799 55.776 6600..221177 1. .00 45 .45

2868 C SER A 371 ^■25.390 58.183 5588..556644 1 , .00 44 .77

2869 O SER A 371 -25.085 59.191 5577..992288 1, .00 43 .66

2870 N VAL A 372 -26.044 58.249 5599..771188 1. .00 45 .51

2871 CA VAL A 372 -26.455 59.546 6600 ..222233 1, .00 46 .64

2872 CB VAL A 372 -27.978 59.700 60.150 1.00 46.50

2873 CGI VAL A 372 -28.373 61.145 60.444 1.00 49.35

2874 CG2 VAL A 372 -28.469 59.287 58.785 1.00 44.75

2875 C VAL A 372 -26.032 59.820 61.642 1.00 47.98

2876 O VAL A 372 -25.690 58.907 62.390 1.00 49.85

2877 N ALA A 373 -26.047 61.105 61.980 1.00 49.15

2878 CA ALA A 373 -25.724 61.617 63.305 1.00 49.82

2879 CB ALA A 373 -24.235 61.656 63.518 1.00 51.25

2880 C ALA A 373 -26.302 63.028 63.328 1.00 51.16

2881 O ALA A 373 -27.020 63.411 62.399 1.00 50.98

2882 N HIS A 374 -25.993 63.803 64.367 1.00 51.46

2883 CA HIS A 374 -26.520 65.161 64.470 1.00 52.59 2884 CB HIS A 374 ■ 27 . 711 65 . 194 65..433 1.,00 54..73

2885 CG HIS A 374 - 28 . 840 64 . 306 65. .017 1. .00 57. .62

2886 CD2 HIS A 374 -30.034 64.592 64. .443 1. ,00 59. .45

2887 NDl HIS A 374 -28.786 62.933 65. .127 1. .00 57. .94

2888 CEl HIS A 374 -29.896 62.411 64. .638 1. .00 59. .28

2889 NE2 HIS A 374 -30.671 63.396 6644.. .221166 1. .00 59. .24

2890 C HIS A 374 -25.496 66.187 6644.. .991111 1. .00 52, .71

2891 0 HIS A 374 -24.546 65.872 6655.. .663300 1. .00 51. .76

2892 N ASP A 375 -25.710 67.426 6644.. .448844 1. .00 53. .69

2893 CA ASP A 375 -24.807 68.507 6644.. .883344 1. ,00 56. .34

2894 CB ASP A 375 -24.679 69.497 6633.. .667766 1. .00 54. .86

2895 CG ASP A 375 -25.931 70.307 6633., .446655 1. .00 54. .46

2896 ODl ASP A 375 -26.586 70.674 6644., .446633 1. .00 55. .37

2897 OD2 ASP A 375 ^■26.255 70.591 6622., .229999 1. .00 54. .77

2898 C ASP A 375 -25.268 69.259 6666., .007777 1. .00 58. .12

2899 O ASP A 375 -26.257 68.890 66, .715 1. .00 58. .80

2900 N ALA A 376 -24.538 70.329 66, .388 1. .00 60, .10

2901 CA ALA A 376 -24.801 71.194 67 .535 1. .00 60, .99

2902 CB ALA A 376 -24.015 72.489 6677. .339933 1. .00 60, .90

2903 C ALA A 376 -26.278 71.509 6677. .770033 1. .00 62, .20

2904 O ALA A 376 -26.888 71.124 6688. .770011 1. .00 62, .53

2905 N SER A 377 -26.848 72.215 6666. .773300 1, .00 62, .37

2906 CA SER A 377 -28.259 72.577 6666. .779922 1. .00 63 .95

2907 CB SER A 377 -28.570 73.709 6655. .880099 1, .00 64 .15

2908 OG SER A 377 -28.751 73.205 6644. .449999 1. .00 63 .83 2909 C SER A 377 -29.116 71.357 6666. .445577 1. .00 64 .63 2910 O SER A 377 -30.211 71.477 6655. .889955 1, .00 65 .02 2911 N GLY A 378 -28.595 70.182 6666. .779944 1. .00 64 .21 2912 CA GLY A 378 -29.310 68.948 6666. .554422 1, .00 63 .95 2913 C GLY A 378 -29.753 68.721 6655. .110088 1, .00 64 .50 2914 O GLY A 378 -30.754 68.036 6644..887788 1. .00 65 .08 2915 N LYS A 379 -29.031 69.277 6644..113366 1. .00 63 .45 2916 CA LYS A 379 -29.411 69.065 6622..774444 1, .00 61 .82 2917 CB LYS A 379 -28.920 70.210 6611..885544 1, .00 62 .59

2918 CG LYS A 379 -29.371 70.056 6600..440044 1 .00 65 .27

2919 CD LYS A 379 -29.090 71.296 59 .562 1, .00 66, .48

2920 CE LYS A 379 -29.672 71.138 5588. .115577 1. .00 66, .61 2921 NZ LYS A 379 -29.596 72.400 57.368 1.00 66.91

2922 C LYS A 379 -28.884 67.721 62.217 1.00 60.67

2923 O LYS A 379 -27.791 67.269 62.581 1.00 59.70

2924 N ARG A 380 -29.691 67.092 61.366 1.00 59.08 2925 CA ARG A 380 -29.393 65.790 60.766 1.00 57.61

2926 CB ARG A 380 -30.643 65.310 60.021 1.00 59.29

2927 CG ARG A 380 -30.628 63.874 59.549 1.00 62.23

2928 CD ARG A 380 -31.830 63.610 58.647 1.00 63.83

2929 NE ARG A 380 -31.878 62.233 58.169 1.00 65.52 2930 CZ ARG A 380 -31.980 61.166 58.961 1.00 68.05

2931 NHl ARG A 380 -32.042 61.313 60.284 1.00 67.15

2932 NH2 ARG A 380 -32.024 59.947 58.429 1.00 68.14

2933 C ARG A 380 -28.188 65.871 59.815 1.00 55.60

2934 O ARG A 380 -28.235 66.567 58.795 1.00 54.56 2935 N VAL A 381 -27.117 65.152 60.152 1.00 52.86

2936 CA VAL A 381 -25.896 65.167 59.348 1.00 52.24

2937 CB VAL A 381 -24.711 65.697 60.170 1.00 53.23

2938 CGI VAL A 381 -2233.. .440088 65, .546 5599.. .337711 1. .00 53, .71

2939 CG2 VAL A 381 24 .947 67 .150 60. .528 1. .00 52 .87 2940 C VAL A 381 25 .466 63, .830 58. .748 1. .00 50, .79

2941 O VAL A 381 - 2255.. .222244 62 .854 59. .463 1. .00 50 .06

2942 N TYR A 382 - 2255,. .334444 63, .795 57. .430 1. .00 48, .94

2943 CA TYR A 382 24 .920 62, .575 56, .765 1. .00 49, .14

2944 CB TYR A 382 25, .527 62, .500 55. .369 1. .00 48, .92 2945 CG TYR A 382 - 2277.. .003322 62, .369 55. .373 1. .00 51, .86

2946 CDl TYR A 382 - 2277. .884466 6633,. .440055 54 , .911 1. .00 51. .78

2947 CEl TYR A 382 - 2299,. .223333 6633,. .227777 54. .894 1. .00 52, .49

2948 CD2 TYR A 382 27 .647 61 .199 55. .824 1. .00 52, .02 2949 CE2 TYR A 382 29. .033 61. .061 5555.. .881100 1. .00 52, .63 2950 CZ TYR A 382 - 2299.. .882200 62, .101 5555.. .334422 1. .00 53, .11

2951 OH TYR A 382 -31.191 61.956 55.309 1.00 54.92

2952 C TYR A 382 23.398 62.475 56.677 1.00 48.26

2953 O TYR A 382 22.708 63.470 56.480 1.00 48.50

2954 N TYR A 383 ^■22.879 61.266 56.837 1.00 47.16 2955 CA TYR A 383 ^•21.448 61.043 56.758 1.00 45.39

2956 CB TYR A 383 -20.807 61.236 58.138 1.00 45.04

2957 CG TYR A 383 ^■21.123 60.149 59.13! 1.00 41.22 2958 CDl TYR A 383 -22.373 60.078 59.757 1.00 40.93

2959 CEl TYR A 383 -22.669 59.060 60.680 1.00 40.06

2960 CD2 TYR A 383 -20.171 59.182 59.460 1. .00 40. .47

2961 CE2 TYR A 383 -20.450 58.159 60.376 1. .00 39. .14

2962 CZ TYR A 383 -21.700 58.102 60.981 1. .00 37. .89

2963 OH TYR A 383 -21.981 57.084 61.856 1, .00 35, .29 2964 C TYR A 383 -21.202 59.627 56.252 1. .00 44 , .15 2965 0 TYR A 383 -22.130 58.832 56.184 1. .00 46, .31 2966 N LEU A 384 -19.957 59.320 55.897 1. .00 43. .03 22996677 CA LEU A 384 -19.576 57.992 55.400 1. .00 39, .45 2968 CB LEU A 384 -18.692 58.138 54.164 1. .00 39, .39

2969 CG LEU A 384 -19.515 58.330 52.898 1. .00 39, .48

2970 CDl LEU A 384 -18.689 58.951 51.808 1, .00 39, .81

2971 CD2 LEU A 384 -20.067 56.969 52.480 1. .00 40 .47 2972 C LEU A 384 ^■18.833 57.188 56.462 1.00 38.65 2973 O LEU A 384 ■18.062 57.748 57.235 1.00 38.49 2974 N THR A 385 -19.056 55.875 56.487 1.00 36.08 2975 CA THR A 385 -18.419 54.997 57.470 1.00 34.59 2976 CB THR A 385 -19.272 54.948 58.812 1.00 36.87 22997777 OGl THR A 385 -18.665 54.058 59.761 1.00 37.66

2978 CG2 THR A 385 -20.704 54.469 58.533 1.00 35.24

2979 C THR A 385 -18.278 53.586 56.888 1.00 34.88

2980 0 THR A 385 -18.625 53.342 55.727 1.00 33.58

2981 N ARG A 386 -17.774 52.663 57.704 1.00 33.57 2982 CA ARG A 386 -17.595 51.274 57.295 1.00 35.34

2983 CB ARG A 386 -16.369 51.128 56.384 1.00 34.37

2984 CG ARG A 386 -15.042 51.501 57.052 1.00 35.63

2985 CD ARG A 386 -13.827 51.038 56.221 1.00 35.21

2986 NE ARG A 386 -13.558 49.608 56.383 1.00 31.36 2987 CZ ARG A 386 -12.828 48.874 55.545 1.00 30.28

2988 NHl ARG A 386 -12.283 49.428 54.470 1.00 30.31

2989 NH2 ARG A 386 12.656 47.575 55.772 1.00 26.88

2990 C ARG A 386 ■17.360 50.462 58.547 1.00 35.34 2991 O ARG A 386 ^■17.214 51.031 59.622 1.00 35.39

2992 N ASP A 387 •17.341 49.140 58.416 1.00 36.67

2993 CA ASP A 387 -17.052 48.278 59.551 1.00 38.42

2994 CB ASP A 387 -17.228 46.812 59.152 1.00 39.33 2995 CG ASP A 387 ^■16.643 45.839 60.179 1.00 44.04

2996 ODl ASP A 387 ^■17.101 44.673 60.233 1.00 44.03

2997 OD2 ASP A 387 •15.716 46.225 60.925 1.00 44.33

2998 C ASP A 387 ^■15.575 48.601 59.845 1.00 41.46

2999 0 ASP A 387 •14.734 48.541 58.943 1.00 42.07

3000 N PRO A 388 ^■15.250 48.953 61.105 1.00 42.80

3001 CD PRO A 388 ^■16.220 49.027 62.212 1.00 42.16

3002 CA PRO A 388 ^■13.909 49.312 61.586 1.00 42.17

3003 CB PRO A 388 •14.209 50.028 62.894 1.00 42.22

3004 CG PRO A 388 ^■15.323 49.222 63.420 1.00 42.95

3005 C PRO A 388 -12.891 48.195 61.778 1.00 42.98

3006 O PRO A 388 -11.720 48.463 62.041 1.00 44.50

3007 N THR A 389 13.336 46.956 61.645 1.00 41.05

3008 CA THR A 389 12.468 45.807 61.819 1.00 40.84

3009 CB THR A 389 -13.163 44.534 61.266 1.00 42.00

3010 OGl THR A 389 -14.310 44.247 62.074 1.00 42.83

3011 CG2 THR A 389 -12.230 43.342 61.279 1.00 38.88

3012 C THR A 389 -11.081 45.978 61.187 1.00 42.26 3013 O THR A 389 -10.091 46.169 61.901 1.00 42.26 3014 N VAL A 390 -11.002 45.917 59.861 1.00 40.13

3015 CA VAL A 390 -9.711 46.055 59.189 1.00 39.61

3016 CB VAL A 390 -9.869 46.104 57.653 1.00 40.62

3017 CGI VAL A 390 -8.515 46.339 57.000 1.00 41.90

3018 CG2 VAL A 390 ■10.465 44.791 57.152 1.00 39.19

3019 C VAL A 390 -8.951 47.290 59.662 1.00 38.42 3020 O VAL A 390 -7.790 47.207 60.040 1.00 38.05 3021 N PRO A 391 -9.600 48.454 59.646 1.00 39.38 3022 CD PRO A 391 ^■10.941 48.771 59.131 1.00 38.00 3023 CA PRO A 391 -8.908 49.661 60.098 1.00 39.89 3024 CB PRO A 391 10.014 50.696 60.109 1.00 39.34

3025 CG PRO A 391 10.869 50.256 58.952 1.00 40.35

3026 C PRO A 391 -8.264 49.483 61.475 1.00 42.70

3027 O PRO A 391 -7.160 49.962 61.718 1.00 43.47 3028 N LEU A 392 -8.949 48.777 62.367 1.00 44.95

3029 CA LEU A 392 -8.433 48.558 63.706 1.00 45.22 3030 CB LEU A 392 -9.570 48.177 64.650 1.00 45.92 3031 CG LEU A 392 ^•10.536 49.333 64.918 1.00 48.65 3032 CDl LEU A 392 -11.670 48.863 65 . 814 1 . 00 4 9 . 00

3033 CD2 LEU A 392 ^■ 9 . 790 50 . 486 65 . 572 1 . 00 47 . 43

3034 C LEU A 392 ■ 7 . 33 9 47 . 506 63 . 753 1 . 00 45 . 46

3035 O LEU A 392 ^■ 6 . 381 47 . 640 6644..551166 1.00 47.54

3036 N ALA A 393 -7.475 46.450 6622..996611 1.00 44.24 3037 CA ALA A 393 -6.447 45.418 6622..994466 1.00 44.96 3038 CB ALA A 393 -6.874 44.246 6622..007711 1.00 43.70 3039 C ALA A 393 -5.176 46.054 6622..338866 1.00 46.45 3040 O ALA A 393 4. .067 45. .777 6 6 6222... .888444222 1.00 47.47 33004411 N ARG A 394 5, .346 46. .920 666111... .333999666 1.00 45.26 3042 CA ARG A 394 4, .206 47. .581 666000... .888000000 1.00 45.61 3043 CB ARG A 394 4 , .599 48. .180 555999... .444555666 1.00 42.84 3044 CG ARG A 394 4, .727 47 , .134 555888... .333777222 1.00 38.97 3045 CD ARG A 394 5, .191 47. .740 555777... .000777444 1.00 36.41 3046 NE ARG A 394 5, .269 46. .723 555666.,. .000333222 1.00 37.74

3047 CZ ARG A 394 5, .703 46. .941 555444.,. .777999444 1.00 34.76

3048 NHl ARG A 394 6, .106 48. .151 555444.,. .444222333 1.00 33.00 3049 NH2 ARG A 394 5, .745 45, .940 555333.,. .999333333 1.00 34.04

3050 C ARG A 394 3, .683 48, .657 6611,. .773355 1.00 46.94 3051 0 ARG A 394 2 .471 48, .870 6611,. .884411 1.00 47.43 3052 N ALA A 395 4 .602 49, .326 6622,. .441199 1.00 46.15 3053 CA ALA A 395 4 .225 50, .371 6633,. .334499 1.00 46.45 3054 CB ALA A 395 5 .463 51, .044 666333,.. .999000777 1.00 46.95 3055 C ALA A 395 3 .407 49, .746 666444,.. .444777111 1.00 48.31 3056 O ALA A 395 2 .515 50, .379 6655,. .003366 1.00 48.79 3057 N ALA A 396 3 .711 48 .492 6644,. .778844 1.00 48.58

3058 CA ALA A 396 2 .992 47 .788 666555,.. .888222777 1.00 47.87

3059 CB ALA A 396 3 .738 46 .523 666666,.. .222111999 1.00 47.00

3060 C ALA A 396 1 .618 47 .441 666555,.. .222888222 1.00 48.85 3061 0 ALA A 396 -0 0..660055 47.911 666555,...777999222 1.00 50.78

3062 N TRP A 397 -1.598 46.622 6644..223355 1.00 48.63 3063 CA TRP A 397 -0.360 46.188 6633..559977 1.00 48.97

3064 CB TRP A 397 0.673 45.570 6622..223388 1.00 45.93

3065 CG TRP A 397 0.522 45.035 6611..551177 1.00 44.88 3066 CD2 TRP A 397 0.848 43.656 6611..330099 1.00 44.29

3067 CE2 TRP A 397 2.052 43.616 6600..556699 1.00 43.72

3068 CE3 TRP A 397 0.239 42.450 6611..667733 1.00 44.52 3069 CDl TRP A 397 1.513 45.758 60.914 1.00 45.29

3070 NEl TRP A 397 2.436 44.909 60.338 1.00 44.77

3071 CZ2 TRP A 397 2.657 42.421 60.190 1.00 45.35

3072 CZ3 TRP A 397 0.841 41.257 61.292 1.00 47.05 3073 CH2 TRP A 397 2.039 41.253 60.558 1.00 47.13

3074 C TRP A 397 0.676 47.298 63.419 1.00 49.62

3075 O TRP A 397 1.868 47.077 63.607 1.00 49.41

3076 N GLU A 398 0.220 48.486 63.057 1.00 49.92

3077 CA GLU A 398 1, .126 49, .593 62.845 1.00 51.84 3078 CB GLU A 398 0, .437 50, .674 62.014 1.00 50.94

3079 CG GLU A 398 0, .001 50, .202 60.633 1.00 48.27

3080 CD GLU A 398 0, .795 51, .246 59.868 1.00 47.66

3081 OEl GLU A 398 1, .136 50, .968 58.705 1.00 47.58

3082 OE2 GLU A 398 1, .085 52, .335 60.417 1.00 47.82 3083 C GLU A 398 1.598 50.169 64.169 1.00 55.94

3084 O GLU A 398 2.436 51.070 64.198 1.00 58.49

3085 N THR A 399 1.050 49.661 65.268 1.00 58.44

3086 CA THR A 399 1.434 50.134 66.594 1.00 59.49

3087 CB THR A 399 0 .211 50, .160 6677..556688 1.00 59.29 3088 OGl THR A 399 0, .603 51, .307 67.287 1.00 59.95

3089 CG2 THR A 399 0 .667 50, .223 69.024 1.00 59.13

3090 C THR A 399 2 .520 49, .224 6677..115522 1.00 59.61

3091 O THR A 399 3 .326 49, .647 6677..997766 1.00 59.96

3092 N ALA A 400 2 .543 47, .983 6666..667766 1.00 59.90 3093 CA ALA A 400 3 .515 46, .987 6677..112222 1.00 62.07

3094 CB ALA A 400 2. .791 45, .704 6677..449955 1.00 61.00

3095 C ALA A 400 4, .613 46, .683 6666..009922 1.00 63.42

3096 O ALA A 400 5, .482 45. .837 6666..332222 1.00 64.44

3097 N ARG A 401 4 , .563 47, .363 6644..995533 1.00 63.53 3098 CA ARG A 401 5, .553 47. .180 6633..990033 1.00 63.66

3099 CB ARG A 401 5, .206 45. .978 6633..002222 1.00 65.18

3100 CG ARG A 401 5, .470 44. .640 6633..669944 1.00 67.56

3101 CD ARG A 401 5, .671 43. .519 6622..668833 1.00 69.36

3102 NE ARG A 401 6, .646 42. .544 6633..117700 1.00 72.22 3103 CZ ARG A 401 7. .917 42. .836 6633..445533 1.00 73.07

3104 NHl ARG A 401 8, .370 44. .076 6633..229900 1.00 71.98

3105 NH2 ARG A 401 8, .736 41. .893 6633..991122 1.00 71.95 3106 C ARG A 401 5.612 48..445 63,.067 1..00 63..51

3107 0 ARG A 401 4 .581 49. .032 62, .734 1. .00 62, .39

3108 N HIS A 402 6 .826 48, .871 62, .741 1. .00 64 .28

3109 CA HIS A 402 7.011 50.088 61.965 1.00 65.19

3110 CB HIS A 402 8.470 50.534 62.026 1.00 64.42

3111 CG HIS A 402 8.741 51.785 61.256 1.00 64.81

3112 CD2 HIS A 402 8.352 53.065 61.470 1.00 65.92

3113 NDl HIS A 402 9.468 51.795 60.085 1.00 64.52

3114 CEl HIS A 402 9.516 53.028 59.611 1.00 65.53

3115 NE2 HIS A 402 8.847 53.818 60.432 1.00 66.04

3116 C HIS A 402 6.578 49.954 60.510 1.00 64.91

3117 O HIS A 402 6.894 48.970 59.838 1.00 64.92 3118 N THR A 403 5.843 50.952 60.032 1.00 65.58

3119 CA THR A 403 5.372 50.962 58.657 1.00 67.15

3120 CB THR A 403 3.843 50.732 58.573 1.00 66.64

3121 OGl THR A 403 3.154 51.903 59.028 1.00 68.06

3122 CG2 THR A 403 3.431 49.544 59.439 1.00 63.30

3123 C THR A 403 5.700 52.336 58.103 1.00 67.20 3124 O THR A 403 5.271 53.347 58.657 1.00 67.80 3125 N PRO A 404 6.492 52.393 57.018 1.00 67.07

3126 CD PRO A 404 7.181 51.269 56.359 1.00 68.08 3127 CA PRO A 404 6, .876 53, .666 56. .399 1, .00 68. .08 3128 CB PRO A 404 7 .699 53, .224 55. .193 1. .00 68. .00

3129 CG PRO A 404 8 .340 51 .967 55. .687 1. .00 68. .13

3130 C PRO A 404 5. .639 54 .452 56. .002 1, .00 66. .61 3131 O PRO A 404 5 .639 55 .687 55. .981 1. .00 66. .80 3132 N VAL A 405 4 .584 53 .716 55. .679 1, .00 65. .64 3133 CA VAL A 405 3 .322 54 .329 55. .300 1, .00 65. .13 3134 CB VAL A 405 3 .029 54 .139 53. .801 1. .00 65. .58

3135 CGI VAL A 405 1 .676 54 .739 53. .461 1, .00 65. .39

3136 CG2 VAL A 405 4 .130 54 .805 52. .974 1. .00 66. .01

3137 C VAL A 405 2 .223 53 .694 56. .135 1, .00 63. .40 3138 O VAL A 405 1 .882 52 .524 55, .964 1, .00 63. .47 3139 N ASN A 406 1 .699 54 .486 57, .060 1. .00 60. .66 3140 CA ASN A 406 0 .655 54 .051 57, .964 1. .00 57. .98 3141 CB ASN A 406 0, .575 55, .002 59. .147 1. .00 59. .50 3142 CG ASN A 406 0, .014 56, .353 58. .749 1. .00 60. .72 3143 ODl ASN A 406 ■1.162 56.475 58.391 1.00 59.74

3144 ND2 ASN A 406 0.860 57.375 58.789 1.00 63.19

3145 C ASN A 406 ■0.668 54.098 57.236 1.00 55.54

3146 O ASN A 406 •0.732 54.475 56. .068 11.. .0000 5566.. .9900 3147 N SER A 407 1. .722 53, .735 57. .956 11.. .0000 5522.. .5511

3148 CA SER A 407 3. .070 53, .746 57. .418 1. .00 49. .84

3149 CB SER A 407 3, .544 52, .321 57. .126 1. .00 48. .52

3150 OG SER A 407 3, .646 51. .563 58. .318 1. .00 48. .01

3151 C SER A 407 3, .996 54, .404 58. .434 1. .00 48. .67 3152 0 SER A 407 -5.017 54.983 58. .065 1. .00 46. .29

3153 N TRP A 408 -3.628 54.331 59. .711 1. .00 47. .78

3154 CA TRP A 408 -4.450 54.922 60, .760 1. .00 49. .62

3155 CB TRP A 408 3. .797 54. .729 6622,, ..112277 1. .00 51. .77

3156 CG TRP A 408 2. .453 55. .380 6622,, ..228866 1. .00 53. .89 3157 CD2 TRP A 408 2. .194 56. .733 6622,, ..667733 1. .00 52. .93

3158 CE2 TRP A 408 0, .793 56. .890 6622,, ..773355 1. .00 53. .39

3159 CE3 TRP A 408 3. .011 57. .827 6622,, ..997755 1, .00 52. .84

3160 CDl TRP A 408 1. .234 54. .791 6622,, ..112277 1. .00 54. .80

3161 NEl TRP A 408 0. .231 55, .690 6622,, ..339988 1. .00 54. .09 33116622 CZ2 TRP A 408 0. .189 58, .093 6633,, ..008866 1. .00 53. .12 3163 CZ3 TRP A 408 2, .413 59, .026 6633 ..332233 1. .00 53, .54 3164 CH2 TRP A 408 1.013 59.149 6633. .337766 1. .00 54, .38 3165 C TRP A 408 -4.732 56.408 60.538 1.00 49.91 3166 0 TRP A 408 -5.867 56.869 60.703 1.00 50.81 3167 N LEU A 409 -3.692 57.150 60.173 1.00 49.22

3168 CA LEU A 409 -3.799 58.585 59.917 1.00 47.29

3169 CB LEU A 409 -2.397 59.174 59.697 1.00 47.26

3170 CG LEU A 409 -2.292 60.523 58.983 1.00 48.00

3171 CDl LEU A 409 -3.100 61.590 59.716 1.00 47.34 3172 CD2 LEU A 409 -0.829 60.907 58.891 1.00 49.11

3173 C LEU A 409 -4.669 58.825 58.691 1.00 46.18

3174 0 LEU A 409 -5.435 59.799 58.623 1.00 45.78

3175 N GLY A 410 -4.536 57.929 57.719 1.00 44.90

3176 CA GLY A 410 -5.320 58.034 56.505 1.00 43.52 3177 C GLY A 410 -6.771 57.796 56.856 1.00 43.11

3178 O GLY A 410 -7.655 58.529 56.410 1.00 44.54

3179 N ASN A 411 -7.012 56.777 57.678 1.00 42.27 3180 CA ASN A 411 -8.362 56.449 58.095 1.00 41.65

3181 CB ASN A 411 -8.365 55.128 58.863 1.00 38.52

3182 CG ASN A 411 ■8.355 53.928 57.929 1.00 38.60

3183 ODl ASN A 411 ■9.093 53.902 56.945 1.00 39.18

3184 ND2 ASN A 411 -7, .532 52. .929 58. .231 1. .00 36, .97

3185 C ASN A 411 -8, ,971 57. .582 58, .912 1. .00 43, .17

3186 0 ASN A 411 -10. .173 57. .859 58, .821 1. .00 43, .62

3187 N ILE A 412 -8. .137 58. .251 59, .698 1. .00 43. .89

3188 CA ILE A 412 -8. .608 59. .371 60. .488 1. .00 44. .35

3189 CB ILE A 412 -7. .506 59. .878 61. .435 1. .00 44. .69

3190 CG2 ILE A 412 -7. .934 61. .181 62. .091 1. .00 44. .40

3191 CGI ILE A 412 -7. .219 58. .808 62. .493 1. .00 47. .61

3192 CDl ILE A 412 -6. .074 59. .128 63. .417 1. .00 48. .33

3193 C ILE A 412 -9. .040 60. .491 59. .545 1. .00 45. .07

3194 0 ILE A 412 -10, .012 61. .188 59. .798 1. .00 46. .05

3195 N ILE A 413 -8. .323 60. .656 58, .445 1. .00 44. .80

3196 CA ILE A 413 -8, .669 61, .703 57. .498 1. .00 44. .88

3197 CB ILE A 413 -7, .505 61, .982 56. .520 1, .00 45. .50

3198 CG2 ILE A 413 -8. .001 62, .799 55, .322 1, .00 42. .85

3199 CGI ILE A 413 -6, .379 62, .709 57, .250 1, .00 44. .85

3200 CDl ILE A 413 -5, .166 62, .946 56, .377 1. .00 44, .62

3201 C ILE A 413 -9, .903 61, .344 56 .679 1. .00 45, .02

3202 0 ILE A 413 -10, .754 62. .193 56, .422 1, .00 44, .42

3203 N MET A 414 -9, .988 60. .088 56 .258 1. .00 44, .52

3204 CA MET A 414 -11, .116 59. .639 55 .448 1, .00 44. .61

3205 CB MET A 414 -10, .759 58, .340 54, .720 1, .00 45, .99

3206 CG MET A 414 -9, .801 58, .513 53 .565 1, .00 48, .15

3207 SD MET A 414 -10. .602 59, .173 52, .093 1, .00 53, .68

3208 CE MET A 414 -10, .452 60, .990 52 .400 1, .00 50, .10

3209 C MET A 414 -12, .381 59, .428 56 .265 1, .00 45, .12

3210 0 MET A 414 -13, .483 59, .635 55 .763 1, .00 43, .30

3211 N TYR A 415 -12, .219 59, .034 57 .526 1, .00 45, .61

3212 CA TYR A 415 -13, .366 58, .769 58 .387 1, .00 47, .07

3213 CB TYR A 415 -13, .414 57, .272 58, .716 1, .00 46, .90

3214 CG TYR A 415 -13, .554 56, .392 57 .491 1, .00 47, .88

3215 CDl TYR A 415 -12. .444 55, .764 56 , .921 1. .00 47. .49

3216 CEl TYR A 415 -12. .583 54. .929 55. .796 1. .00 49. .34 3217 CD2 TYR A 415 ■14.807 56.177 5566..990088 1..00 48..18

3218 CE2 TYR A 415 ■14.961 55.350 5555..779900 1. .00 49. .04

3219 CZ TYR A 415 -13.852 54.726 5555..224444 1. .00 49. .99

3220 OH TYR A 415 -14.031 53.869 5544..118877 1. .00 49, .47 3221 C TYR A 415 -13.439 59.580 5599..668822 1. .00 46, .66 3222 O TYR A 415 -13.983 59.108 6600..668844 1. .00 46, .38 3223 N ALA A 416 -12.923 60.804 5599..664488 1. .00 45, .35 3224 CA ALA A 416 -12.915 61.674 6600..882299 1. .00 44 , .41 3225 CB ALA A 416 -12.418 63.064 6600..445522 1. .00 42. .70 33222266 C ALA A 416 -14.255 61.791 6611..554477 1. .00 43. .97 3227 O ALA A 416 -14.298 61.864 6622..777733 1. .00 43. .81 3228 N PRO A 417 -15.366 61.828 6600..779966 1. .00 44. .51

3229 CD PRO A 417 -15.492 62.064 5599..334477 1. .00 43. .44

3230 CA PRO A 417 -16.667 61.940 61.459 1. .00 43. .27

3231 CB PRO A 417 -17.561 62.503 60.359 1. .00 42. .88 3232 CG PRO A 417 -16.971 61.934 5599..112277 1. .00 44. .07 3233 C PRO A 417 -17.227 60.659 6622..008833 1. .00 43, .91 3234 O PRO A 417 -18.213 60.708 6622..881166 1, .00 44 , .64 3235 N THR A 418 -16.603 59.516 6611..882244 1, .00 43, .49 3236 CA THR A 418 -17.117 58.280 62.397 1. .00 44 , .32 3237 CB THR A 418 ^■16.571 57.029 61.680 1. .00 42, .23

3238 OGl THR A 418 ^■15.152 56.968 6611..882211 1. .00 39, .58

3239 CG2 THR A 418 •16.929 57.069 6600..220088 1, .00 42 .94

3240 C THR A 418 ^■16.813 58.160 6633..888822 1. .00 47, .02 33224411 O THR A 418 ^■15.839 58.717 6644..338877 1, .00 48, .81 3242 N LEU A 419 ^■17.669 57.417 6644..557700 1. .00 47 .34 3243 CA LEU A 419 ^■17.561 57.194 6655..999988 1. .00 47, .39 3244 CB LEU A 419 ^■18.755 56.358 6666..446699 1. .00 49 .87 3245 CG LEU A 419 ^■19.240 56.600 6677..889966 1. .00 54 .17 3246 CDl LEU A 419 •20.476 55.752 6688..116677 1 .00 56 .90

3247 CD2 LEU A 419 ^•18.135 56.280 6688..888833 1, .00 54 .49

3248 C LEU A 419 ^■16.264 56.491 6666..337777 1 .00 47 .19

3249 O LEU A 419 ^■15.608 56.858 6677..335522 1 .00 45 .61

3250 N TRP A 420 -15.907 55.464 65.619 1.00 46.92 3251 CA TRP A 420 -14.691 54.727 65.905 1.00 48.66

3252 CB TRP A 420 -14.625 53.455 65.067 1.00 49.72

3253 CG TRP A 420 -14.911 53.669 63.622 1.00 52.36 3254 CD2 TRP A 420 ^■13.960 53.693 62.561 1.00 53.24

3255 CE2 TRP A 420 •14.677 53.889 61.361 1.00 52.87

3256 CE3 TRP A 420 -12.569 53.564 62.504 1.00 53.51

3257 CDl TRP A 420 -16.136 53.853 63.043 1.00 53.67 3258 NEl TRP A 420 -16.004 53.983 61.684 1.00 53.60

3259 CZ2 TRP A 420 -14.050 53.959 60.122 1.00 51.81

3260 CZ3 TRP A 420 -11.948 53.633 61.273 1.00 52.23

3261 CH2 TRP A 420 -12.688 53.829 60.098 1.00 52.63

3262 C TRP A 420 -13.451 55.566 65.644 1.00 48.87 3263 O TRP A 420 -12.494 55.518 66.415 1.00 48.56

3264 N ALA A 421 ■13.467 56.335 64.560 1.00 48.88

3265 CA ALA A 421 ^■12.323 57.172 64.217 1.00 50.35

3266 CB ALA A 421 -12.561 57.865 62.893 1.00 48.43

3267 C ALA A 421 -12.038 58.210 65.303 1.00 51.45 3268 O ALA A 421 -10.914 5588..330022 65.806 1.00 50.96

3269 N ARG A 422 -13.065 58.981 65.657 1.00 51.96

3270 CA ARG A 422 -12.951 60.025 66.670 1.00 51.85

3271 CB ARG A 422 -14.269 60.789 66.802 1.00 50.73

3272 CG ARG A 422 -14.758 61.411 65.525 1.00 52.30 3273 CD ARG A 422 -16.129 62.024 65.710 1.00 55.38

3274 NE ARG A 422 -16.097 63.206 66.566 1.00 58.05

3275 CZ ARG A 422 -17.178 63.846 67.007 1.00 59.38

3276 NHl ARG A 422 ^■18.393 63.420 66.680 1.00 59.41

3277 NH2 ARG A 422 •17.044 64.921 67.775 1.00 62.02 3278 C ARG A 422 ■12.571 59.504 68.044 1.00 52.16

3279 O ARG A 422 11.656 60.028 68.678 1.00 52.80

3280 N MET A 423 13.270 58.471 68.502 1.00 51.99

3281 CA MET A 423 ^•13.029 57.931 69.835 1.00 52.94

3282 CB MET A 423 ^■14.305 57.283 70.376 1.00 54.08 3283 CG MET A 423 •15.360 58.291 70.795 1.00 56.11

3284 SD MET A 423 ^■16.879 57.549 71.455 1.00 58.44

3285 CE MET A 423 ^■18.074 58.816 71.003 1.00 56.91

3286 C MET A 423 -11.873 56.969 70.015 1.00 52.94

3287 O MET A 423 -11.268 56.935 71.083 1.00 54.06 3288 N ILE A 424 ^■11.562 56.175 69.000 1.00 52.23

3289 CA ILE A 424 -10.462 55.229 69.148 1.00 50.08

3290 CB ILE A 424 -10.843 53.830 68.640 1.00 48.60 3291 CG2 ILE A 424 -9..672 52..879 68..839 1.,00 46..08

3292 CGI ILE A 424 -12. ,072 53 , .323 69. .393 1. .00 47. .40

3293 CDl ILE A 424 -12. .492 51. .914 69. .002 1. .00 46. .81

3294 C ILE A 424 -9. .174 55. .662 68. .455 1. .00 50. .77

3295 0 ILE A 424 -8. .209 56, .032 69. .122 1. .00 51. .02

3296 N LEU A 425 -9. .158 55, .615 67. .126 1. .00 49. .79

3297 CA LEU A 425 -7. .966 55, .987 66. .374 1. .00 48, .60

3298 CB LEU A 425 -8. .285 56. .118 64. .884 1. .00 47, .16

3299 CG LEU A 425 -8. .686 54. .808 64. .205 1. .00 47. .36

3300 CDl LEU A 425 -8. .949 55. .049 62. .731 1. .00 46 , .10

3301 CD2 LEU A 425 -7. .590 53. .775 64. .398 1. .00 45, .85

3302 C LEU A 425 -7. .372 57. .284 66. .897 1. .00 48, .59

3303 0 LEU A 425 -6. .235 57. .299 67. .381 1. .00 47, .29

3304 N MET A 426 -8. .145 58. .363 66. .807 1. .00 47, .39

3305 CA MET A 426 -7. .698 59. .666 67. .285 1. .00 48, .43

3306 CB MET A 426 -8. .852 60, .659 67, .279 1, .00 46, .35

3307 CG MET A 426 -9. .319 61, .016 65, .903 1. .00 47, .94

3308 SD MET A 426 -9. .995 62, .640 65, .928 1, .00 54 , .04

3309 CE MET A 426 -10. .941 62, .705 64, .381 1, .00 52, .54

3310 C MET A 426 -7. .120 59, .587 68, .693 1, .00 50 .15

3311 0 MET A 426 -6. .004 60 .044 68, .944 1, .00 50 .65

3312 N THR A 427 -7. .886 59 .001 69 .604 1, .00 50 .79

3313 CA THR A 427 -7. .459 58 .865 70, .979 1, .00 54 .17

3314 CB THR A 427 -8. .557 58 .167 71 .827 1, .00 54 .51

3315 OGl THR A 427 -9. .764 58 .938 71 .772 1, .00 57 .41

3316 CG2 THR A 427 -8. .124 58 .039 73 .275 1, .00 53 .50

3317 C THR A 427 -6. .158 58 .069 71 .085 1, .00 54 .11

3318 0 THR A 427 -5. .142 58 .574 71 .561 1 .00 55 .43

3319 N HIS A 428 -6. .196 56 .823 70 .638 1 .00 53 .84

3320 CA HIS A 428 -5, .037 55 .942 70 .704 1 .00 55 .01

3321 CB HIS A 428 -5. .341 54 .658 69 .944 1 .00 53 .47

3322 CG HIS A 428 -4, .172 53 .736 69 .799 1 .00 52 .84

3323 CD2 HIS A 428 -3. .486 53 .337 68 .702 1 .00 53 .64

3324 NDl HIS A 428 -3. .645 53 .029 70 .856 1 .00 52 .97

3325 CEl HIS A 428 -2 .694 52 .224 70 .416 1 .00 54 .53

3326 NE2 HIS A 428 -2. .578 52, .391 69, .110 1. .00 52 .38

3327 C HIS A 428 -3. .748 56 .548 70, .160 1, .00 56 .41 3328 0 HIS A 428 -2..691 56..446 70..791 1..00 57..57

3329 N PHE A 429 -3. .831 57. .192 69. .000 1. .00 55. .68

3330 CA PHE A 429 -2. .634 57. .737 68. .393 1. .00 55. .20

3331 CB PHE A 429 -2. .797 57. .815 66. .867 1. .00 54. .52

3332 CG PHE A 429 -2, .779 56. .455 66. .205 1. .00 53, .93

3333 CDl PHE A 429 -3. .962 55. .795 65. .897 1. .00 53, .37

3334 CD2 PHE A 429 -1. .576 55. .785 66. .003 1. .00 53, .39

3335 CEl PHE A 429 -3. .943 54. .489 65. .411 1. .00 51, .86

3336 CE2 PHE A 429 -1. .553 54. .483 65. .518 1. .00 51, .21

3337 CZ PHE A 429 -2. .739 53. .835 65. .224 1. .00 51. .92

3338 C PHE A 429 -2. .079 59. .024 68. .966 1. .00 55. .38

3339 0 PHE A 429 -0. .860 59. .180 69. .050 1. .00 55. .62

3340 N PHE A 430 -2. .926 59. .956 69. .370 1. .00 55. .41

3341 CA PHE A 430 -2. .361 61. .148 69. .963 1. .00 56, .21

3342 CB PHE A 430 -3. .416 62. .224 70. .120 1. .00 52, .88

3343 CG PHE A 430 -3. .615 63. .020 68. .881 1. .00 52, .12

3344 CDl PHE A 430 -4. .102 62. .420 67. .734 1. .00 51, .03

3345 CD2 PHE A 430 -3. .257 64. .360 68. .833 1, .00 52, .35

3346 CEl PHE A 430 -4. .228 63. .144 66. .554 1, .00 51, .15

3347 CE2 PHE A 430 -3, .380 65, .094 67, .652 1, .00 52, .10

3348 CZ PHE A 430 -3, .866 64 , .481 66, .513 1. .00 51 .45

3349 C PHE A 430 -1. .758 60, .741 71, .302 1. .00 57, .76

3350 0 PHE A 430 -0. .819 61, .365 71, .799 1, .00 59 .37

3351 N SER A 431 -2, .281 59, .660 71, .864 1, .00 59 .08

3352 CA SER A 431 -1. .773 59, .152 73, .125 1 .00 62 .28

3353 CB SER A 431 -2, .599 57, .946 73, .587 1 .00 63 .14

3354 OG SER A 431 -1. .842 57, .105 74, .446 1 .00 63 .84

3355 C SER A 431 -0. .315 58, .738 72, .945 1 .00 62 .54

3356 0 SER A 431 0. .577 59, .321 73, .561 1 .00 62 .93

3357 N ILE A 432 -0. .080 57, .739 72 .095 1 .00 63 .39

3358 CA ILE A 432 1 .271 57 .249 71 .849 1 .00 65 .05

3359 CB ILE A 432 1 .287 56 .135 70 .788 1 .00 64 .14

3360 CG2 ILE A 432 2 .721 55 .848 70 .345 1 .00 65 .35

3361 CGI ILE A 432 0 .654 54 .864 71 .352 1 .00 64 .71

3362 CDl ILE A 432 0 .642 53 .698 70 .372 1 .00 65 .20

3363 C ILE A 432 2. .216 58, .361 71, .401 1, .00 64 , .60

3364 0 ILE A 432 3. .384 58. .387 71 , .805 1, .00 64, .31 3365 N LEU A 433 1.723 59.271 70.564 1.00 65.49

3366 CA LEU A 433 2.559 60.374 70.107 1.00 66.35

3367 CB LEU A 433 1.770 61.344 69.218 1.00 64.56

3368 CG LEU A 433 1.399 60.873 67.802 1.00 63.67 3369 CDl LEU A 433 0.770 62.024 67.021 1.00 61.09

3370 CD2 LEU A 433 2.641 60.361 67.077 1.00 62.10

3371 C LEU A 433 3.077 61.100 71.338 1.00 67.12

3372 O LEU A 433 4.277 61.109 71.602 1.00 68.72

3373 N LEU A 434 2.164 61.691 72.100 1.00 68.31 3374 CA LEU A 434 2.529 62.408 73.316 1.00 68.46

3375 CB LEU A 434 1.284 62.672 74.156 1.00 68.60

3376 CG LEU A 434 0 .399 63. .806 73, .652 1.00 70.23

3377 CDl LEU A 434 0 .845 63. .912 74, .522 1.00 72.10

3378 CD2 LEU A 434 1 .181 65, .102 73 .683 1.00 70.42 3379 C LEU A 434 3, .558 61. .669 74, .163 1.00 67.84

3380 O LEU A 434 4 , .502 62. .271 74 , .672 1.00 68.16

3381 N ALA A 435 3, .370 60. .364 74, .317 1.00 67.18

3382 CA ALA A 435 4, .280 59. .546 75, .105 1.00 67.04

3383 CB ALA A 435 3 .654 58. .187 75, .362 1.00 66.98 3384 C ALA A 435 5 .634 59. .378 74 , .414 1.00 68.18

3385 O ALA A 435 6 .461 58. .562 74 , .832 1.00 68.74

3386 N GLN A 436 5 .857 60. .152 73 .357 1.00 68.08

3387 CA GLN A 436 7 .104 60. .084 72 .607 1.00 68.68

3388 CB GLN A 436 6 .991 59, .035 71 .499 1.00 69.67 3389 CG GLN A 436 6.504 57.682 71.971 1.00 71.46

3390 CD GLN A 436 6.529 56.640 70.867 1.00 74.49

3391 OEl GLN A 436 6.154 56.918 69.721 1.00 74.60

3392 NE2 GLN A 436 6.960 55.426 71.210 1.00 75.47

3393 C GLN A 436 7.440 61.442 71.991 1.00 68.17 3394 O GLN A 436 8.450 61.591 71.302 1.00 67.46

3395 N GLU A 437 6.582 62.424 72.247 1.00 68.40

3396 CA GLU A 437 6.762 63.777 71.733 1.00 69.10

3397 CB GLU A 437 7.920 64.475 72.453 1.00 70.71

3398 CG GLU A 437 8.098 64.080 73.915 1.00 71.68 3399 CD GLU A 437 9.242 64.825 74.584 1.00 72.55

3400 OEl GLU A 437 9.052 66.011 74.950 1.00 71.39

3401 OE2 GLU A 437 10.331 64.224 74.730 1.00 72.12 3402 C GLU A 437 7,.058 63 ,.727 70..240 1,.00 68,.53

3403 0 GLU A 437 8. .219 63. .752 69. .828 1, .00 69, .42

3404 N GLN A 438 6. .007 63. .649 69. .431 1, .00 67, .60

3405 CA GLN A 438 6, .161 63, .587 67, .983 1, .00 66, .07

3406 CB GLN A 438 6, .344 62, .132 67, .550 1, .00 64 , .58

3407 CG GLN A 438 7, .580 61, .506 68, .161 1, .00 67, .95

3408 CD GLN A 438 7, .857 60, .109 67, .660 1, .00 69 .60

3409 OEl GLN A 438 7.980 59.882 66.456 1.00 69.57

3410 NE2 GLN A 438 7.969 59.161 68.586 1.00 69.90 33441111 C GLN A 438 4.947 64.194 67.309 1.00 64.86 3412 O GLN A 438 4.663 63.932 66.146 1.00 63.66 3413 N LEU A 439 4.235 65.022 68.057 1.00 65.78 3414 CA LEU A 439 3.043 65.659 67.539 1.00 67.25 3415 CB LEU A 439 2.383 66.497 68.626 1.00 67.56 33441166 CG LEU A 439 2.302 65.878 70.026 1.00 69.36 3417 CDl LEU A 439 1.452 66.787 70.906 1.00 68.86 3418 CD2 LEU A 439 1.707 64.472 69.973 1.00 69.93 3419 C LEU A 439 3.368 66.539 66.348 1.00 68.48 3420 O LEU A 439 2.489 66.823 65.533 1.00 69.49 3421 N GLU A 440 4.627 66.964 66.237 1.00 69.69

3422 CA GLU A 440 5.038 67.834 65.132 1.00 69.98

3423 CB GLU A 440 6.135 68.816 65.576 1.00 71.53

3424 CG GLU A 440 5.987 69.336 66.989 1.00 74.95 3425 CD GLU A 440 6.424 68.307 68.020 1.00 76.97 3426 OEl GLU A 440 6.093 68.483 69.219 1.00 76.69 3427 OE2 GLU A 440 7.103 67.327 67.623 1.00 76.60 3428 C GLU A 440 5.546 67.059 63.919 1.00 68.16 3429 O GLU A 440 5.469 67.558 62.795 1.00 68.64 3430 N LYS A 441 6.064 65.851 64.143 1.00 65.24 33443311 CA LYS A 441 6.595 65.043 63.047 1.00 63.70 3432 CB LYS A 441 7.338 63.818 63.583 1.00 62.39 3433 CG LYS A 441 7.752 62.873 62.465 1.00 64.26

3434 CD LYS A 441 8.741 61.816 62.912 1.00 66.23

3435 CE LYS A 441 9.171 60.974 61.714 1.00 68.19 3436 NZ LYS A 441 10.272 60.024 62.036 1.00 68.32

3437 C LYS A 441 5.561 64.579 62.014 1.00 63.22

3438 O LYS A 441 4.539 63.974 62.354 1.00 63.50 3439 N ALA A 442 5.849 6644..8855 A4 60, .746 1..00 61..04

3440 CA ALA A 442 4.967 6644..446622 59. .662 1. 00 59. .70

3441 CB ALA A 442 5.224 65.334 58. .438 1. .00 59. .45

3442 C ALA A 442 5.171 6622..999911 5599.. .331155 1. .00 58. .31

3443 O ALA A 442 6. .272 6622.. .4455 55 555999.,, ..444444222 1. .00 56. .80

3444 N LEU A 443 4, .090 6622.. .3333 88 5588.. ..990033 1. ,00 57. .33

3445 CA LEU A 443 4. .149 6600.. .9933 55 5588.. ..551166 1. .00 56. .13

3446 CB LEU A 443 3. .497 6600.. .0033 77 5599,, ..557766 1. .00 55. .37

3447 CG LEU A 443 4, .051 6600.. .1144 00 6611,, ..000033 1. .00 55. .13

3448 CDl LEU A 443 3. .245 6611.. .1177 77 6611,, ..777711 1. .00 54. .86

3449 CD2 LEU A 443 3 .964 5588., .7799 i33 6611,, ..771133 1. .00 53 , .55

3450 C LEU A 443 3 .407 6600., .8822 :00 5577,, ..220022 1. .00 55. .45

3451 O LEU A 443 2 .512 6611., .6611 55 5566 ..992233 1. .00 55. .76

3452 N ASP A 444 3 .785 5599. .8844 77 5566 ..338855 1, .00 55, .49

3453 CA ASP A 444 3. .127 5599., .6677 '66 5555,, ..009966 1. .00 55. .99

3454 CB ASP A 444 4. .091 5599., .1111 ,55 5544,, ..004433 1. .00 58. .91

3455 CG ASP A 444 5. .349 5599., .9944 55 5533,, ..888811 1. .00 61. .01

3456 ODl ASP A 444 5 .235 6611., .1188 A4 555333,,. ..777333000 1. .00 61. .70

3457 OD2 ASP A 444 6 .450 5599., .3344 33 555333. ..888999111 1. .00 60. .45

3458 C ASP A 444 1.935 5588..773399 5555. .117766 1. .00 54 , .48 3459 O ASP A 444 1.918 5577..77884 5555. .995533 1, .00 54, .80 3460 N CYS A 445 0.936 5599..003300 5544. .335599 1. .00 52, .23 3461 CA CYS A 445 ^■0.250 5588..2200 122 5544. .226655 1. .00 50, .47

3462 CB CYS A 445 -1.314 5588..6622 :88 5555. .228833 1, .00 51, .02

3463 SG CYS A 445 -2.097 6600..2233 55 55 .016 1. .00 53, .75

3464 C CYS A 445 -0.739 5588..4400 ι66 52 .843 1, .00 48 .96

3465 O CYS A 445 -0.378 5599..3388 133 52 .191 1. .00 47. .32

3466 N GLN A 446 -1.539 5577..4477 ^•17 52 .344 1. .00 48 .66

3467 CA GLN A 446 ^■2.026 5577..6600 ι33 50, .990 1. .00 47, .01 3468 CB GLN A 446 ■1.774 5566..3300 ι66 50, .234 1. .00 47, .79 3469 CG GLN A 446 ^■0.286 5566..0088 99 4499. .995599 1. .00 53. .66

3470 CD GLN A 446 0.032 5544..7733 44 4499. .334466 1. .00 56, .03

3471 OEl GLN A 446 1.171 5544..4477 '88 4488. .995533 1. .00 57, .45 3472 NE2 GLN A 446 ^■0.968 5533..8855 .99 4499. .226666 1. .00 56, .56

3473 C GLN A 446 ^■3.479 5588..0000 ι33 5500. .991155 1. .00 46, .90

3474 O GLN A 446 ^■4.290 5577..6633 44 51 .765 1. .00 47, .28

3475 N ILE A 447 ^■3.783 5588..7788 ι99 4499. .889911 1. .00 45, .97 3476 CA ILE A 447 ^■5.120 59.277 49.634 1.00 46.09 3477 CB ILE A 447 ^■5.266 60.734 50.096 1.00 47.31 3478 CG2 ILE A 447 ^■6.579 61.317 49.594 1.00 46.43

3479 CGI ILE A 447 ^■5.196 60.793 51.622 1.00 49.25

3480 CDl ILE A 447 ^■5.254 62.196 52.177 1.00 49.90

3481 C ILE A 447 -5.325 59.191 48.129 1.00 46.05 3482 0 ILE A 447 -4.635 59.864 47.364 1.00 46.81 3483 N TYR A 448 --66.. .227799 58 .362 47, .717 11.. .0000 4455. .8800 3484 CA TYR A 448 --66.. .557722 58. .137 46. .307 1. .00 44 , .73 3485 CB TYR A 448 --77.. .005511 5599.. .442222 45. .635 1. .00 45, .30 3486 CG TYR A 448 --88.. .550066 5599., .776666 45. .893 1. .00 47, .85

3487 CDl TYR A 448 --99.. .006600 60, .928 45. .372 1. .00 48, .16

3488 CEl TYR A 448 -1100.. .338844 61, .262 45. .605 1, .00 50, .76

3489 CD2 TYR A 448 --99.. .333300 58 .931 46. .665 1 , .00 50, .31

3490 CE2 TYR A 448 -1100.. .666644 5599. .225588 46. .904 1, .00 49 .89

3491 CZ TYR A 448 11. .181 60 .430 46, .371 1, .00 51 .36

3492 OH TYR A 448 12. .485 60 .798 46, .613 1, .00 52 .41 3493 C TYR A 448 -5, .322 57 .610 45, .616 1, .00 44 .67 3494 0 TYR A 448 -5, .073 57 .890 44 , .445 1, .00 44 .50 3495 N GLY A 449 -4 , .532 56 .849 46, .366 1, .00 43 .81 3496 CA GLY A 449 -3, .323 56 .275 45, .818 1, .00 45 .04 3497 C GLY A 449 -2. .077 57 .146 45, .882 1, .00 46 .55 3498 O GLY A 449 -0, .964 5566. .662277 45. .846 11. .0000 4477. .5511 3499 N ALA A 450 --22...224488 5588..446600 45,.968 11..0000 4466..6677 3500 CA ALA A 450 -1.100 59.362 46.021 1.00 48.16 3501 CB ALA A 450 -1.489 60.745 45.499 1.00 48.34 3502 C ALA A 450 ^■0.541 59.477 47.431 1.00 48.80 3503 0 ALA A 450 ^■1.274 59.390 48.417 1.00 48.47 3504 N CYS A 451 0.766 59.673 47.528 1.00 49.05

3505 CA CYS A 451 1.379 59.793 48.834 1.00 50.88

3506 CB CYS A 451 2.770 59.186 48.838 1.00 51.85

3507 SG CYS A 451 3.462 59.219 50.484 1.00 61.55

3508 C CYS A 451 1.464 61.237 49.285 1.00 50.00 3509 O CYS A 451 1.670 62.142 48.482 1.00 51.03 3510 N TYR A 452 1.296 61.446 50.582 1.00 50.34 3511 CA TYR A 452 1.349 62.784 51.149 1.00 50.58 3512 CB TYR A 452 -0.055 63.353 51.355 1.00 51.62 3513 CG TYR A 452 -0..889 63..492 50..106 1..00 51..92

3514 CDl TYR A 452 -1. .432 62. .376 49. .468 1. .00 52. .29

3515 CEl TYR A 452 -2. .198 62. .514 48. .306 1. .00 53. .34

3516 CD2 TYR A 452 -1. .133 64. .745 49. .557 1. .00 52. .15

3517 CE2 TYR A 452 -1. .890 64. .894 48. .404 1. .00 52. .89

3518 CZ TYR A 452 -2. .420 63. .781 47. .782 1. .00 53. .22

3519 OH TYR A 452 -3. .166 63. .952 46. .636 1. .00 54. .66

3520 C TYR A 452 2, .040 62. .744 52. .493 1. .00 50. .97

3521 0 TYR A 452 1. .867 61. .805 53. .267 1. .00 50. .88

3522 N SER A 453 2. .835 63. .767 52. .764 1. .00 53. .31

3523 CA SER A 453 3. .525 63. .866 54. .041 1. .00 55. .29

3524 CB SER A 453 4. .934 64. .434 53. .849 1. .00 56. .76

3525 OG SER A 453 5. .594 64. .586 55. .096 1. .00 58. .05

3526 C SER A 453 2. .660 64. .832 54. .840 1. .00 55. .91

3527 0 SER A 453 2. .548 66. .009 54. .489 1. .00 55. .51

3528 N ILE A 454 2. .028 64. .340 55, .899 1, .00 56. .34

3529 CA ILE A 454 1, .156 65. .200 56, .685 1, .00 57. .07

3530 CB ILE A 454 -0. .298 64. .720 56, .600 1, .00 58, .24

3531 CG2 ILE A 454 -1, .223 65, .740 57, .248 1. .00 57, .16

3532 CGI ILE A 454 -0. .688 64 , .531 55, .133 1. .00 58. .64

3533 CDl ILE A 454 -2. .045 63, .902 54 , .938 1, .00 59. .89

3534 C ILE A 454 1, .547 65, .291 58, .145 1. .00 58. .30

3535 0 ILE A 454 2, .122 64, .352 58, .710 1, .00 57. .43

3536 N GLU A 455 1, .232 66, .437 58, .744 1. .00 58, .34

3537 CA GLU A 455 1, .527 66, .681 60, .149 1. ,00 59, .13

3538 CB GLU A 455 2, .158 68. .060 60, .329 1. .00 61. .68

3539 CG GLU A 455 3. .598 68. .155 59, .881 1, .00 65, .32

3540 CD GLU A 455 4 , .171 69. .545 60, .093 1. .00 67, .82

3541 OEl GLU A 455 3, .768 70. .484 59, .363 1. .00 67, .02

3542 OE2 GLU A 455 5. .020 69. .696 61, .001 1. .00 69, .15

3543 C GLU A 455 0. .260 66. .603 60, .986 1. .00 58, .25

3544 0 GLU A 455 -0. .695 67 .338 60, .744 1, .00 58, .62

3545 N PRO A 456 0. .235 65 .708 61, .983 1, .00 58, .32

3546 CD PRO A 456 1. .277 64 .735 62 .355 1, .00 57, .48

3547 CA PRO A 456 -0 .940 65 .566 62, .842 1, .00 57, .94

3548 CB PRO A 456 -0. .399 64. .754 64. .006 1. .00 58. .25

3549 CG PRO A 456 0. .546 63. .815 63. .317 1, .00 56. .19 3550 C PRO A 456 •1.526 66.912 63.279 1.00 60.97 3551 O PRO A 456 •2.735 67.141 63.176 1.00 61.16 3552 N LEU A 457 •0.659 67.803 63.748 1.00 62.74 3553 CA LEU A 457 ^■1.083 69.121 64.208 1.00 63.58 3554 CB LEU A 457 0.132 70.028 64.422 1.00 65.16 3555 CG LEU A 457 1.332 69.516 65.226 1.00 67.17 3556 CDl LEU A 457 2, .380 70. .637 65.324 1.00 67.48

3557 CD2 LEU A 457 0. .895 69. .054 66.610 1.00 66.43

3558 C LEU A 457 ^■2. .055 69, .835 63.270 1.00 63.45

3559 0 LEU A 457 ^■2 , .684 70, .814 63.669 1.00 64.57 3560 N ASP A 458 •2. .180 69 .363 62.032 1.00 62.67 3561 CA ASP A 458 •3.082 70.013 61.072 1.00 63.09

3562 CB ASP A 458 ^■2.417 70.123 59.694 1.00 63.52

3563 CG ASP A 458 ■1.195 71.016 59.696 1.00 64.09

3564 ODl ASP A 458 ^■1.064 71.831 58.756 1.00 63.01

3565 OD2 ASP A 458 ^■0.365 70.893 60.624 1.00 64.45

3566 C ASP A 458 ^■4.449 69.345 60.882 1.00 62.44

3567 0 ASP A 458 ^■5.315 69.883 60.173 1.00 61.48 3568 N LEU A 459 -4.645 68.180 61.497 1.00 60.90

3569 CA LEU A 459 -5.907 67.470 61.350 1.00 60.75

3570 CB LEU A 459 -5.967 66.283 62.313 1.00 60.37

3571 CG LEU A 459 -5.002 65.129 62.011 1.00 60.42

3572 CDl LEU A 459 -5.066 64.103 63.128 1.00 58.99

3573 CD2 LEU A 459 -5.362 64.485 60.683 1.00 60.46

3574 C LEU A 459 ^■7. Ill 68.388 61.555 1.00 60.79

3575 O LEU A 459 -8.023 68.422 60.723 1.00 61.71

3576 N PRO A 460 •7.127 69.156 62.657 1.00 61.48

3577 CD PRO A 460 6, .163 69. .183 63 .773 1, .00 61 .26

3578 CA PRO A 460 8, .247 70, .063 62 .924 1, .00 60 .76

3579 CB PRO A 460 7. .708 70. .937 64 , .049 1, .00 60, .80

3580 CG PRO A 460 6, .928 69. .951 64, .849 1, .00 61, .92

3581 C PRO A 460 8, .662 70. .866 61, .699 1, .00 60, .60

3582 O PRO A 460 9, .848 71. .094 61 .462 1, .00 61 .54

3583 N GLN A 461 7, .682 71, .293 60 .918 1, .00 60 .46

3584 CA GLN A 461 7, .986 72, .054 59 .725 1. .00 61 .10

3585 CB GLN A 461 6, .780 72. .890 59, .292 1. .00 63 , .70

3586 CG GLN A 461 6. .219 73. .794 60, .375 1. .00 67, .89

41 3587 CD GLN A 461 -5,.035 73,.179 61..103 1..00 70..21 3588 OEl GLN A 461 -5, .185 72, .229 61. .872 1. .00 70, .73 3589 NE2 GLN A 461 -3, .841 73 .719 60. .850 1. .00 71, .95 3590 C GLN A 461 -8, .366 71, .089 58. .615 1. .00 58, .96 3591 O GLN A 461 -9, .428 71, .219 58. .005 1. .00 58, .69 3592 N ILE A 462 -7. .494 70, .119 58. .357 1. .00 56, .97 3593 CA ILE A 462 -7, .745 69, .136 57. .311 1. .00 56, .82 3594 CB ILE A 462 -6. .773 67, .948 57. .429 1. .00 58. .47 3595 CG2 ILE A 462 -7, .163 66 .848 56. .429 1. .00 58, .13 3596 CGI ILE A 462 -5, .335 68 .433 57. .201 1. .00 58, .72 3597 CDl ILE A 462 -4 .288 67 .333 57, .254 1. .00 55, .79 3598 C ILE A 462 -9 .173 68 .608 57, .431 1. .00 55, .88 3599 O ILE A 462 -9 .976 68 .682 56, .487 1. .00 53, .46 3600 N ILE A 463 -9, .473 68, .088 58. .617 1. .00 54. .95 3601 CA ILE A 463 -10, .778 67, .532 58. .919 1. .00 54. .76

3602 CB ILE A 463 -10, .815 67, .041 60. .371 1. .00 52, .48 3603 CG2 ILE A 463 -12, .247 66, .759 60. .786 1. .00 51. .87

3604 CGI ILE A 463 -9 .917 65 .800 60 .505 1, .00 49 .62

3605 CDl ILE A 463 -9 .625 65 .379 61 .917 1. .00 44 .38

3606 C ILE A 463 -11 .922 68 .511 58 .660 1. .00 56 .10 3607 O ILE A 463 -12 .869 68 .174 57 .945 1. .00 56 .13 3608 N GLU A 464 -11, .841 69, .717 59. .221 1. .00 56, .82

3609 CA GLU A 464 -12, .903 70, .695 59, .002 1. .00 59, .25

3610 CB GLU A 464 -12 , .607 72, .034 59, .697 1. .00 61. .49

3611 CG GLU A 464 -13, .649 73, .121 59, .344 1. .00 64. .67 3612 CD GLU A 464 -13. .305 74, .515 59. .863 1. .00 67. .37

3613 OEl GLU A 464 -14 .085 75 .457 59, .591 1. .00 65, .39

3614 OE2 GLU A 464 -12 .259 74 .673 60, .537 1, .00 70, .87

3615 C GLU A 464 -13 .083 70 .953 57 .514 1. .00 58, .97 3616 O GLU A 464 -14. .186 71, .227 57. .051 1. .00 59. .58 3617 N ARG A 465 -11. .988 70, .881 56. .771 1. .00 58. .81 3618 CA ARG A 465 -12, .034 71, .110 55. .338 1. .00 59. .26 3619 CB ARG A 465 -10, .612 71, .266 54. .793 1. .00 63. .12

3620 CG ARG A 465 -10, .069 72, .695 54. .833 1. .00 67. .14

3621 CD ARG A 465 -10, .028 73, .277 53. .429 1. .00 69. .74

3622 NE ARG A 465 -11 .255 72 .965 52. .699 1, .00 73. .41 3623 CZ ARG A 465 -11, .443 73, .203 51. .404 1. .00 74. .40 3624 NHl ARG A 465 - 10 . 479 73 . 763 50.683 1.00 73.62

3625 NH2 ARG A 465 - 12 . 594 72.869 50.829 1.00 74.92

3626 C ARG A 465 - 12 . 743 69.976 54.605 1.00 57.70 3627 0 ARG A 465 - 13 . 603 70.210 53.760 1.00 57.35 3628 N LEU A 466 - 12 . 391 68.744 54.941 1.00 55.54

3629 CA LEU A 466 - 12 . 984 67.590 54.276 1.00 54.27

3630 CB LEU A 466 - 12 . 082 66.368 54.458 1.00 52.24

3631 CG LEU A 466 - 10 . 650 66.605 54.002 1.00 51.51 3632 CDl LEU A 466 -9.835 65.333 54.116 1.00 49.95 33663333 CD2 LEU A 466 -10.690 67.099 52.572 1.00 52.95 3634 C LEU A 466 -14.395 67.221 54.713 1.00 54.06 3635 0 LEU A 466 -15.182 66.738 53.909 1.00 51.58 3636 N HIS A 467 -14.718 67.453 55.979 1.00 54.11 3637 CA HIS A 467 -16.028 67.078 56.482 1.00 54.50 3638 CB HIS A 467 -15.846 66.067 57.608 1.00 51.44 3639 CG HIS A 467 -14.952 64.924 57.242 1.00 48.23

3640 CD2 HIS A 467 -13.708 64.600 57.659 1.00 46.31

3641 NDl HIS A 467 -15.310 63.961 56.324 1.00 47.47

3642 CEl HIS A 467 -14.324 63.094 56.192 1.00 43.49 3643 NE2 HIS A 467 -13.341 63.459 56.990 1.00 44.51 3644 C HIS A 467 ^■16.898 68.226 56.968 1.00 56.89 3645 0 HIS A 467 •18.112 68.063 57.132 1.00 58.43 3646 N GLY A 468 -16.289 69.384 57.197 1.00 56.83 3647 CA GLY A 468 -17.056 70.516 57.686 1.00 56.52 33664488 C GLY A 468 -16.855 70.608 59.183 1.00 56.95 3649 O GLY A 468 -16.493 69.618 59.819 1.00 56.97 3650 N LEU A 469 -17.082 71.785 59.753 1.00 56.52 3651 CA LEU A 469 -16.893 71.976 61.188 1.00 57.01 3652 CB LEU A 469 -17.238 73.419 61.556 1.00 58.07 33665533 CG LEU A 469 -16.349 74.115 62.591 1.00 58.63 3654 CDl LEU A 469 -16.889 75.515 62.862 1.00 58.57 3655 CD2 LEU A 469 ^■ 16 . 306 73.302 63.871 1.00 60.91

3656 C LEU A 469 -17.711 71.000 62.054 1.00 57.30

3657 O LEU A 469 -17.247 70.554 63.114 1.00 56.91 3658 N SER A 470 -18.919 70.668 61.596 1.00 55.67

3659 CA SER A 470 -19.806 69.750 62.313 1.00 54.48

3660 CB SER A 470 -21.019 69.405 61.448 1.00 53.70 3661 OG SER A 470 -20.,627 68..787 60..234 1..00 51,.22

3662 C SER A 470 -19. .117 68. .454 62. .742 1. .00 54 , .28

3663 0 SER A 470 -19. .412 67. .904 63, .805 1. .00 53, .85

3664 N ALA A 471 -18. .201 67. .965 61. .918 1. .00 52, .88

3665 CA ALA A 471 -17. .494 66. .732 62. .234 1. .00 54, .11

3666 CB ALA A 471 -16. .399 66. .492 61. .211 1. .00 55, .41

3667 C ALA A 471 -16. .901 66. .693 63. .642 1. .00 54, .12

3668 0 ALA A 471 -16. .573 65. .626 64 , .143 1. .00 54, .24

3669 N PHE A 472 -16. .756 67. .847 64. .283 1. .00 55. .14

3670 CA PHE A 472 -16. .185 67. .882 65. .625 1. .00 56, .14

3671 CB PHE A 472 -15. .367 69. .159 65. .823 1. .00 56. .88

3672 CG PHE A 472 -14. .228 69. .302 64 , .864 1. .00 56. .76

3673 CDl PHE A 472 -14. .141 70. .414 64. .031 1. .00 57, .12

3674 CD2 PHE A 472 -13. .241 68. .324 64 , .786 1. .00 55, .44

3675 CEl PHE A 472 -13. .084 70. .546 63 , .129 1. .00 57, .67

3676 CE2 PHE A 472 -12. .183 68. .445 63. .892 1. .00 54 , .75

3677 CZ PHE A 472 -12. .102 69. .557 63. .061 1. .00 55, .81

3678 C PHE A 472 -17. .241 67. .805 66. .714 1. .00 57, .34

3679 0 PHE A 472 -16. .928 67. .541 67. .875 1. .00 56, .21

3680 N SER A 473 -18, .496 68, .025 66. .336 1. .00 59, .77

3681 CA SER A 473 -19, .581 68, .009 67 .303 1. .00 60, .83

3682 CB SER A 473 -20, .180 69, .407 67 .402 1. .00 62 .94

3683 OG SER A 473 -19 .156 70, .366 67 .617 1, .00 68 .48

3684 C SER A 473 -20 .693 67, .007 67 .030 1. .00 60 .19

3685 0 SER A 473 -21 .734 67, .059 67 .672 1, .00 60 .39

3686 N LEU A 474 -20 .485 66, .090 66 .093 1, .00 60 .76

3687 CA LEU A 474 -21 .521 65, .105 65 .784 1. .00 59 .93

3688 CB LEU A 474 -21 .052 64, .166 64 .670 1, .00 59 .57

3689 CG LEU A 474 -20 .747 64, .825 63 .321 1. .00 59 .98

3690 CDl LEU A 474 -20 .400 63, .751 62 .307 1. .00 59 .63

3691 CD2 LEU A 474 -21 .953 65 .639 62 .849 1. .00 59 .32

3692 C LEU A 474 -21 .897 64 .283 67 .011 1. .00 59 .41

3693 0 LEU A 474 -21 .039 63 .921 67 .820 1. .00 59 .40

3694 N HIS A 475 -23 .185 63 .992 67 .145 1. .00 58 .09

3695 CA HIS A 475 -23 .679 63 .203 68 .268 1. .00 57 .91

3696 CB HIS A 475 -23, .929 64 , .112 69. .465 1. .00 59 .51

3697 CG HIS A 475 -25 .006 65, .123 69. .227 1. .00 62 .02 3698 CD2 HIS A 475 -24.957 66.369 68.696 1.00 62.75

3699 NDl HIS A 475 -26.338 64.866 69.478 1.00 61.81

3700 CEl HIS A 475 -27.061 65.909 6699..111133 1.00 63.43

3701 NE2 HIS A 475 -26.248 66.835 6688..663344 1.00 63.88

3702 C HIS A 475 -24.985 62.532 6677..885533 1.00 56.91

3703 O HIS A 475 -25.534 62.833 6666..778888 1.00 56.20 3704 N SER A 476 -25.486 61.636 6688..669988 1.00 55.19 3705 CA SER A 476 -26.728 60.928 6688..441100 1.00 53.73 3706 CB SER A 476 -27.890 61.910 6688..225511 1.00 53.94 3707 OG SER A 476 -28.150 62.586 6699..446666 1.00 55.34

3708 C SER A 476 -26.566 60.119 6677..113355 1.00 52.47 3709 O SER A 476 -27.283 60.322 6666..114477 1.00 50.85 3710 N TYR A 477 -25.600 59.210 6677..116688 1.00 51.04

3711 CA TYR A 477 -25.323 58.351 6666..003366 1.00 51.73

3712 CB TYR A 477 -23.944 57.715 6666..118833 1.00 53.44

3713 CG TYR A 477 -22.800 58.676 6655..995588 1.00 56.60

3714 CDl TYR A 477 -22.475 59.653 6666..990066 1.00 57.75

3715 CEl TYR A 477 -21.423 60.543 6666..668866 1.00 58.73

3716 CD2 TYR A 477 -22.047 58.618 6644..778866 1.00 56.92

3717 CE2 TYR A 477 -21.002 59.498 6644..5555 55 1.00 58.20

3718 CZ TYR A 477 ^•20.688 60.457 6655..5500 22 1.00 58.72

3719 OH TYR A 477 -19.631 61.309 6655..2255 99 1.00 59.04

3720 C TYR A 477 -26.375 57.264 6655..9955 66 1.00 51.45

3721 O TYR A 477 -26.921 56.842 6666..9977 66 1.00 51.74

3722 N SER A 478 -26.657 56.807 6644..7744 11 1.00 50.48

3723 CA SER A 478 -27.652 55.764 6644..5544 55 1.00 49.23

3724 CB SER A 478 -27.845 55.505 6633..0055 66 1.00 47.21

3725 OG SER A 478 -26.768 54.753 6622..5555 22 1.00 49.48

3726 C SER A 478 ^■27.230 54.472 6655..2255 99 1.00 47.91

3727 O SER A 478 ■26.087 54.031 6655..114477 1.00 45.81 3728 N PRO A 479 ^■28.165 53.857 6666..000088 1.00 47.49

3729 CD PRO A 479 •29.552 54.347 6666..1100 66 1.00 49.03

3730 CA PRO A 479 -28.009 52.620 6666..7788 44 1.00 46.72

3731 CB PRO A 479 -29.448 52.241 6677..112233 1.00 47.89

3732 CG PRO A 479 -30.093 53.566 6677..229966 1.00 49.90

3733 C PRO A 479 -27.305 51.511 6666..003333 1.00 45.27

3734 O PRO A 479 -26.426 50.850 6666..557788 1.00 47.14 3735 N GLY A 480 -27.710 51.293 64.788 1.00 42.46

3736 CA GLY A 480 -27.093 50.253 63.992 1.00 41.65

3737 C GLY A 480 -25.599 50.483 63.860 1.00 40.33

3738 0 GLY A 480 -24.801 49.544 63.916 1.00 38.74

3739 N GLU A 481 -25.221 51.743 63.679 1.00 40.45

3740 CA GLU A 481 -23.820 52.105 63.548 1. .00 41. .98

3741 CB GLU A 481 -23.695 53.554 63.087 1. .00 44. .07

3742 CG GLU A 481 -22.270 54.055 62.907 1. .00 46. .53

3743 CD GLU A 481 -21.419 53.179 62.010 1. .00 48. .27

3744 OEl GLU A 481 -21.964 52.322 61.276 1. .00 50. .26

3745 OE2 GLU A 481 -20.187 53.362 62.033 1, .00 48. .66

3746 C GLU A 481 ^■23.139 51.909 6 .889 1, .00 42. .10

3747 O GLU A 481 ^■22.079 51.290 64.963 1, .00 41 .88 3748 N ILE A 482 -23.765 52.410 65.953 1. .00 42. .32

3749 CA ILE A 482 -23.193 52.260 67.287 1. .00 42. .16

3750 CB ILE A 482 -24.055 52.907 68.390 1. .00 40. .92

3751 CG2 ILE A 482 -23.358 52.745 69.742 1. .00 40. .87

3752 CGI ILE A 482 -24.270 54.395 68.101 1, .00 40. .23

3753 CDl ILE A 482 -25.072 55.124 69.168 1. .00 37. .27

3754 C ILE A 482 -23.077 50.786 67.609 1, .00 43, .05

3755 0 ILE A 482 -22.119 50.354 68.251 1. .00 44. .59

3756 N ASN A 483 -24.051 50.009 67.154 1. .00 41. .76

3757 CA ASN A 483 -24.032 48.581 67.423 1. .00 41. .91

3758 CB ASN A 483 -25.362 47.933 67.048 1. .00 41. .20

3759 CG ASN A 483 -25.360 46.431 67.270 1. .00 41. .51

3760 ODl ASN A 483 -25.129 45.954 68.383 1, .00 40. .57

3761 ND2 ASN A 483 -25.620 45.675 66.208 1. .00 38. .63

3762 C ASN A 483 22.920 47.914 66.651 1.00 42.61

3763 0 ASN A 483 22.157 47.136 67.214 1.00 42.62

3764 N ARG A 484 -22.821 48.229 65.361 1.00 42.47

3765 CA ARG A 484 -21.790 47.626 64.531 1.00 42.45

3766 CB ARG A 484 -21.788 48.241 63.121 1.00 42.39

3767 CG ARG A 484 -20.734 47.600 62.208 1.00 40.58

3768 CD ARG A 484 -20.879 47.950 60.730 1.00 39.98

3769 NE ARG A 484 -20.777 49.383 60.449 1.00 37.61

3770 CZ ARG A 484 -20.765 49.893 59.227 1.00 35.82

3771 NHl ARG A 484 -20.838 49.082 58.184 1.00 35.30 3772 NH2 ARG A 484 -20.719 51.209 59.048 1.00 37.80 3773 C ARG A 484 -20.413 47.775 65.164 1.00 42.38 3774 0 ARG A 484 -19.652 46.814 65.245 1.00 41.74 3775 N VAL A 485 20.103 48.980 65.621 1-00 43.00 3776 CA VAL A 485 18.811 49.228 66.236 1.00 45.47 3777 CB VAL A 485 18.650 50.694 66.676 1.00 46.39 3778 CGI VAL A 485 -17.390 50.831 67.514 1.00 45.22

3779 CG2 VAL A 485 -18.587 51.609 65.460 1.00 46.55

3780 C VAL A 485 -18.576 48.367 67.458 1.00 46.90

33778811 0 VAL A 485 -17.673 47.530 67.473 1.00 47.26 3782 N ALA A 486 -19.389 48.595 68.488 1.00 47.84 3783 CA ALA A 486 -19.265 47.867 69.745 1.00 48.44 3784 CB ALA A 486 -20.429 48.217 70.676 1.00 48.83 3785 C ALA A 486 -19.201 46.367 69.519 1.00 48.24 3786 O ALA A 486 -18.608 45.638 70.307 1.00 49.20 3787 N SER A 487 -19.814 45.914 68.436 1.00 48.50 3788 CA SER A 487 -19.815 44.500 68.102 1.00 50.17 3789 CB SER A 487 -20.750 44.228 66.918 1.00 52.91 3790 OG SER A 487 -22.035 44.803 67.106 1.00 56.40 3791 C SER A 487 -18.400 44.136 67.695 1.00 50.88 3792 O SER A 487 -17.864 43.101 68.090 1.00 51.53 3793 N CYS A 488 -17.810 45.006 66.885 1.00 50.89 3794 CA CYS A 488 -16.465 44.820 66.383 1.00 50.59 3795 CB CYS A 488 -16.144 45.938 65.385 1.00 51.61 33779966 SG CYS A 488 -14.490 45.884 64.660 1.00 53.13 3797 C CYS A 488 -15.447 44.808 67.523 1.00 50.78 3798 O CYS A 488 -14.593 43.926 67.588 1.00 50.42 3799 N LEU A 489 -15.546 45.783 68.421 1.00 51.33

3800 CA LEU A 489 -14.617 45.880 69.545 1.00 53.42 3801 CB LEU A 489 15.003 47.046 70.457 1.00 50.64

3802 CG LEU A 489 15.302 48.353 69.723 1.00 51.92

3803 CDl LEU A 489 -15.356 49.498 70.714 1.00 48.43

3804 CD2 LEU A 489 -14.223 48.617 68.674 1.00 50.64

3805 C LEU A 489 -14.589 44.589 70.354 1.00 55.12 3806 O LEU A 489 -13.523 44.049 70.653 1.00 55.64

3807 N ARG A 490 -15.770 44.095 70.697 1.00 54.94

3808 CA ARG A 490 -15.879 42.872 71.471 1.00 55.26 3809 CB ARG A 490 -17.347 42.617 71.842 1.00 54.86

3810 CG ARG A 490 -17.988 43.720 72.680 1.00 54.63

3811 CD ARG A 490 -19.309 43.236 73.273 1.00 56.22

3812 NE ARG A 490 -20.273 42.881 72.231 1.00 56.03 3813 CZ ARG A 490 -21.180 43.722 71.741 1.00 55.84

3814 NHl ARG A 490 -21.257 44.968 72.206 1.00 52.92

3815 NH2 ARG A 490 -21.999 43.321 70.776 1.00 54.66

3816 C ARG A 490 -15.317 41.677 70.704 1.00 55.27

3817 O ARG A 490 -14.916 40.679 71.303 1.00 56.31 3818 N LYS A 491 -15.282 41.779 69.379 1.00 54.08

3819 CA LYS A 491 -14.771 40.693 68.555 1.00 53.55

3820 CB LYS A 491 -15.271 40.835 67.113 1.00 53.37

3821 CG LYS A 491 -14.631 39.836 66.139 1.00 53.72

3822 CD LYS A 491 -15.126 40.006 64.695 1.00 55.58 3823 CE LYS A 491 -14.746 41.366 64.103 1.00 55.12

3824 NZ LYS A 491 -15.252 41.538 62.716 1.00 52.32

3825 C LYS A 491 13.247 40.647 68.540 1.00 53.68

3826 O LYS A 491 12.650 39.568 68.478 1.00 53.56

3827 N LEU A 492 12.631 41.823 68.604 1.00 52.37 3828 CA LEU A 492 11.179 41.945 68.552 1.00 53.61

3829 CB LEU A 492 ^■10.810 43.116 67.640 1.00 52.94

3830 CG LEU A 492 ^■11.301 43.016 66.202 1.00 51.45

3831 CDl LEU A 492 ^•11.066 44.330 65.480 1.00 50.29

3832 CD2 LEU A 492 ^■10.589 41.875 65.520 1.00 51.41 3833 C LEU A 492 •10.455 42.119 69.890 1.00 53.79

3834 O LEU A 492 -9.276 41.777 70.006 1.00 54.25

3835 N GLY A 493 ■11.149 42.661 70.886 1.00 53.21 3836 CA GLY A 493 ^■10.537 42.876 72.182 1.00 51.02 3837 C GLY A 493 ^■10.218 44.341 72.415 1.00 51.48 3838 O GLY A 493 -9.238 44.679 73.075 1.00 52.60

3839 N VAL A 494 ^■11.050 45.221 71.880 1.00 50.68

3840 CA VAL A 494 ^■10.834 46.648 72.041 1.00 50.42

3841 CB VAL A 494 ^■11.100 47.404 70.731 1.00 48.26

3842 CGI VAL A 494 10.920 48.908 70.948 1.00 47.25 3843 CG2 VAL A 494 •10.185 46.890 69.648 1.00 44.68

3844 C VAL A 494 -11.746 47.230 73.109 1.00 52.97

3845 O VAL A 494 -12.963 47.114 73.032 1.00 52.54 3846 N PRO A 495 ^■11.159 47.880 7744..112200 1.00 56.98 3847 CD PRO A 495 -9.731 48.212 7744..226622 1.00 58.03 3848 CA PRO A 495 ^■11.940 48.483 7755..119999 1.00 60.03 3849 CB PRO A 495 ■10.944 49.445 75.837 1.00 60.05 3850 CG PRO A 495 -9.654 48.714 7755..668888 1.00 58.90

3851 C PRO A 495 •13.162 49.207 7744..664411 1.00 61.91 3852 O PRO A 495 •13.071 49.912 7733..663344 1.00 62.95 3853 N PRO A 496 •14.324 49.036 7755..228899 1.00 63.64 3854 CD PRO A 496 ^■14.507 48.380 7766..559966 1.00 64.15 3855 CA PRO A 496 ^■15.568 49.674 7744..885533 1.00 63.85

3856 CB PRO A 496 ■16.571 49.224 7755..991100 1.00 64.95

3857 CG PRO A 496 ^■15.716 49.100 7777..113388 1.00 64.96

3858 C PRO A 496 •15.444 51.188 7744..777777 1.00 63.81 3859 O PRO A 496 •14.572 51.788 7755..441166 1.00 64.62 33886600 N LEU A 497 ^■16.329 51.802 7744..000011 1.00 63.31

3861 CA LEU A 497 ^■16.301 53.248 7733..883311 1.00 64.71

3862 CB LEU A 497 ■17.594 53.726 7733..115599 1.00 63.58

3863 CG LEU A 497 ^■17.904 53.050 7711..881199 1.00 63.81

3864 CDl LEU A 497 -19.207 53.597 7711..224455 1.00 61.30 3865 CD2 LEU A 497 -16.745 53.283 7700..885555 1.00 63.21

3866 C LEU A 497 -16.085 53.998 7755..114422 1.00 65.14

3867 O LEU A 497 -15.501 55.083 7755..114466 1.00 65.16 3868 N ARG A 498 -16.539 53.422 7766..225544 1.00 66.25

3869 CA ARG A 498 -16.379 54.089 7777..553399 1.00 66.47

3870 CB ARG A 498 -17.219 53.407 7788..663366 1.00 68.45

3871 CG ARG A 498 -16.837 51.985 7799..003344 1.00 70.83 3872 CD ARG A 498 -17.553 51.602 8800..334444 1.00 71.75 3873 NE ARG A 498 -17.185 50.281 8800..885566 1.00 72.64 3874 CZ ARG A 498 -17.644 49.130 8800..336699 1.00 74.02 3875 NHl ARG A 498 -18.501 49.132 7799..335500 1.00 73.55

3876 NH2 ARG A 498 -17.245 47.977 8800..889988 1.00 72.52

3877 C ARG A 498 -14.919 54.164 77.951 1.00 65.84 3878 O ARG A 498 -14.424 55.239 7788..228899 1.00 65.99 3879 N VAL A 499 -14.219 53.035 7777..990011 1.00 65.24 3880 CA VAL A 499 -12.808 53.016 7788..226699 1.00 65.15

3881 CB VAL A 499 -12.181 51.627 7788..001166 1.00 65.49

3882 CGI VAL A 499 -10.733 51.617 7788..448866 1.00 66.39 3883 CG2 VAL A 499 -12..976 50..549 78..741 1.,00 64..15

3884 C VAL A 499 -12. .029 54. .064 77. .469 1. ,00 64. .60

3885 0 VAL A 499 -11. .038 54. .614 77. .947 1. .00 65. .21

3886 N TRP A 500 -12. .488 54. .336 76. .250 1. .00 64. .54

3887 CA TRP A 500 -11. .837 55. .312 75. .388 1. .00 64. .20

3888 CB TRP A 500 -12. .170 55. .048 73. .911 1. .00 63. .41

3889 CG TRP A 500 -11. .593 53. .769 73. .383 1. .00 61. .17

3890 CD2 TRP A 500 -10. .233 53. .542 72. .996 1. .00 60. .89

3891 CE2 TRP A 500 -10. .124 52. .183 72. .626 1. ,00 59. .86

3892 CE3 TRP A 500 -9. .093 54. .357 72. .931 1. ,00 60. .97

3893 CDl TRP A 500 -12. .237 52. .576 73. .232 1. .00 61. .20

3894 NEl TRP A 500 -11. .361 51. .615 72. .777 1. .00 60. .45

3895 CZ2 TRP A 500 -8. .923 51. .618 72. .200 1. .00 58. .37

3896 CZ3 TRP A 500 -7. .900 53. .796 72, .509 1. .00 59. .97

3897 CH2 TRP A 500 -7. .825 52, .436 72, .148 1. .00 59. .47

3898 C TRP A 500 -12, .259 56. .723 75, .753 1. .00 65. .15

3899 0 TRP A 500 -11, .461 57. .663 75, .661 1. .00 65. .05

3900 N ARG A 501 -13, .517 56. .877 76, .152 1, .00 66. .21

3901 CA ARG A 501 -14 , .021 58. .191 76, .534 1. .00 67. .02

3902 CB ARG A 501 -15 .491 58, .114 76, .942 1, .00 68, .42

3903 CG ARG A 501 -16 .068 59, .451 77, .382 1, .00 70, .11

3904 CD ARG A 501 -17 .522 59, .322 77, .785 1, .00 71, .03

3905 NE ARG A 501 -18 .097 60, .597 78 .213 1, .00 74 , .71

3906 CZ ARG A 501 -18 .209 61, .674 77 .437 1, .00 76, .36

3907 NHl ARG A 501 -17 .780 61, .641 76 .178 1, .00 77, .83

3908 NH2 ARG A 501 -18 .757 62, .787 77 .919 1, .00 76, .67

3909 C ARG A 501 -13 .195 58, .656 77 .715 1, .00 67, .12

3910 0 ARG A 501 -13 .086 59, .854 77 .985 1, .00 67, .36

3911 N HIS A 502 -12 .625 57, .685 78 .422 1, .00 67, .07

3912 CA HIS A 502 -11 .791 57, .966 79 .579 1, .00 68, .02

3913 CB HIS A 502 -11 .488 56 .676 80 .354 1, .00 69, .52

3914 CG HIS A 502 -12 .701 56 .013 80 .935 1 .00 71, .51

3915 CD2 HIS A 502 -13 .991 56 .421 81 .016 1 .00 72, .12

3916 NDl HIS A 502 -12 .656 54 .768 81 .527 1 .00 72, .34

3917 CEl HIS A 502 -13 .865 54 .438 81 .947 1 .00 72, .61

3918 NE2 HIS A 502 -14 .693 55, .424 81, .650 1, .00 71, .66

3919 C HIS A 502 -10, .497 58, .542 79, .044 1, .00 66. .69 3920 0 HIS A 502 -10,.208 59..737 79,.192 1..00 66..44

3921 N ARG A 503 -9. ,732 57. ,665 78. .404 1. ,00 64. .70

3922 CA ARG A 503 -8. .452 58. .023 77. .826 1. .00 61. .70

3923 CB ARG A 503 -7. .999 56. .900 76. .895 1. ,00 59. .63

3924 CG ARG A 503 -8. .059 55. .512 77. .559 1. .00 57. .56

3925 CD ARG A 503 -7. .359 54. .444 76, .721 1. .00 56. .97

3926 NE ARG A 503 -7. .461 53. .098 77, .287 1. .00 54. .45

3927 CZ ARG A 503 -6. .871 52. .029 76, .759 1. .00 55. .71

3928 NHl ARG A 503 -6, .142 52. .159 75, .661 1. .00 57. .48

3929 NH2 ARG A 503 -7. .009 50. .829 77, .311 1. .00 54 , .17

3930 C ARG A 503 -8. .542 59, .360 77, .095 1. .00 61, .56

3931 0 ARG A 503 -7 .699 60, .228 77, .278 1, .00 61, .48

3932 N ALA A 504 -9 .582 59, .544 76 .297 1. .00 63, .43

3933 CA ALA A 504 -9 .752 60, .797 75 .561 1, .00 65, .84

3934 CB ALA A 504 -11. .115 60. .827 74 , .879 1. .00 66. .05

3935 C ALA A 504 -9. .583 62. .041 76, .439 1. .00 67, .19

3936 0 ALA A 504 -8. .993 63. .028 75, .999 1. .00 68. .00

3937 N ARG A 505 -10 .111 62. .013 77, .664 1. .00 68. .95

3938 CA ARG A 505 -9. .973 63. .166 78, .564 1. .00 69. .65

3939 CB ARG A 505 -10 .922 63 , .062 79, .765 1, .00 71. .03

3940 CG ARG A 505 -12 .419 63. .085 79, .454 1. .00 74, .05

3941 CD ARG A 505 -13 .222 63, .435 80 .719 1, .00 76, .11

3942 NE ARG A 505 -14 .653 63, .153 80 .605 1, .00 78, .19

3943 CZ ARG A 505 -15 .193 61. .943 80 .744 1, .00 79, .86

3944 NHl ARG A 505 -14 .422 60, .892 81 .008 1. .00 80, .03

3945 NH2 ARG A 505 -16 .507 61, .780 80 .621 1. .00 78, .93

3946 C ARG A 505 -8 .535 63, .198 79 .077 1. .00 69, .18

3947 0 ARG A 505 -7 .856 64, .230 79 .028 1. .00 67 .42

3948 N SER A 506 -8. .093 62, .038 79, .565 1. .00 69. .52

3949 CA SER A 506 -6 .747 61. .836 80, .099 1, .00 69. .80

3950 CB SER A 506 -6 .567 60. .353 80, .479 1, .00 70, .53

3951 OG SER A 506 -5 .209 60. .023 80, .749 1, .00 72, .33

3952 C SER A 506 -5 .673 62. .245 79 .090 1, .00 69, .19

3953 0 SER A 506 -4 .529 62. .502 79, .466 1, .00 69, .07

3954 N VAL A 507 -6 .063 62, .306 77, .816 1, .00 68, .50

3955 CA VAL A 507 -5 .174 62, .653 76 .705 1, .00 67, .12

3956 CB VAL A 507 -5 .419 61. .688 75 .503 1, .00 66, .58 3957 CGI VAL A 507 -4..662 62..148 74..273 1..00 64..09

3958 CG2 VAL A 507 -4. .997 60. .274 75. .892 1. .00 65. .53

3959 C VAL A 507 -5. .390 64 , .093 76. .258 1. .00 66. .52

3960 0 VAL A 507 -4. .439 64. .835 76. .026 1. .00 67. .75

3961 N ARG A 508 -6, .650 64. .479 76, .123 1. .00 66. .11

3962 CA ARG A 508 -7, .003 65. .836 75, .731 1. .00 66. .30

3963 CB ARG A 508 -8, .521 65, .940 75, .612 1. .00 63 , .92

3964 CG ARG A 508 -9, .085 67, .335 75, .716 1. .00 61. .37

3965 CD ARG A 508 -10. .571 67. .279 75. .472 1. .00 61. .91

3966 NE ARG A 508 -11. .259 68, .504 75, .844 1. .00 61. .82

3967 CZ ARG A 508 -11. .375 68, .939 77, .093 1. .00 64. .12

3968 NHl ARG A 508 -10. .836 68, .246 78, .094 1. .00 62. .41

3969 NH2 ARG A 508 -12, .057 70, .051 77, .345 1. .00 63, .92

3970 C ARG A 508 -6, .485 66, .822 76, .783 1. .00 68. .65

3971 0 ARG A 508 -6, .366 68, .029 76, .530 1. .00 68, .90

3972 N ALA A 509 -6, .184 66, .292 77, .966 1, .00 69, .56

3973 CA ALA A 509 -5, .675 67, .099 79, .075 1, .00 71, .04

3974 CB ALA A 509 -5 .780 66, .304 80 .390 1, .00 70, .46

3975 C ALA A 509 -4 , .219 67, .492 78 .811 1. .00 71, .12

3976 0 ALA A 509 -3 .878 68, .678 78 .741 1. .00 69, .90

3977 N LYS A 510 -3 .373 66 .474 78 .667 1, .00 71 .49

3978 CA LYS A 510 -1 .955 66 .662 78 .402 1, .00 72, .24

3979 CB LYS A 510 -1 .273 65 .296 78 .256 1. .00 70 .43

3980 CG LYS A 510 -1 .628 64 .318 79 .376 1. .00 68, .51

3981 CD LYS A 510 -0 .905 62 .974 79 .250 1. .00 67 .50

3982 CE LYS A 510 -1 .339 62 .002 80 .358 1. .00 67 .21

3983 NZ LYS A 510 -0 .651 60 .675 80 .325 1. .00 64 .98

3984 C LYS A 510 -1 .773 67 .481 77 .124 1, .00 73 .38

3985 0 LYS A 510 -0 .768 68 .167 76 .957 1, .00 75 .51

3986 N LEU A 511 -2 .755 67 .414 76 .230 1 .00 74 .47

3987 CA LEU A 511 -2 .693 68 .146 74 .967 1, .00 75 .59

3988 CB LEU A 511 -3 .707 67 .570 73 .970 1 .00 75 .66

3989 CG LEU A 511 -3 .375 66 .170 73 .441 1 .00 75 .76

3990 CDl LEU A 511 -4 .548 65 .602 72 .660 1 .00 75 .11

3991 CD2 LEU A 511 -2 .130 66 .252 72 .565 1 .00 76 .07

3992 C LEU A 511 -2 .937 69 .638 75, .138 1, .00 75, .74

3993 0 LEU A 511 -2 .323 70 .458 74 , .456 1, .00 76 .61 3994 N LEU A 512 3..846 69..991 76..038 1..00 76..43

3995 CA LEU A 512 4. .153 71. .398 76. .288 1. .00 76. .95

3996 CB LEU A 512 5. .480 71. .511 77. .040 1. .00 77. .93

3997 CG LEU A 512 6. .722 71. .081 76. .246 1. .00 78. .34 3998 CDl LEU A 512 7. .825 70. .668 77. .214 1. .00 77. .62

3999 CD2 LEU A 512 7. .174 72. .217 75. .314 1. .00 76. .17

4000 C LEU A 512 3. .026 72. .054 77. .093 1. .00 76. .59

4001 O LEU A 512 2. .595 73. .179 76. .790 1, .00 75. .75

4002 N SER A 513 2. .558 71. .343 78. .118 1. .00 76. .19 4003 CA SER A 513 1. .466 71. ,828 78. .956 1. .00 75. .63

4004 CB SER A 513 1. .311 70. .957 80. .221 1. .00 75. .96

4005 OG SER A 513 0. .974 69. .608 79. .927 1. .00 74. .62

4006 C SER A 513 0. .203 71. .766 78. .110 1. .00 74. .79

4007 O SER A 513 0. .814 71. .201 78. .516 1, .00 75. .56 4008 N GLN A 514 0. .289 72. .353 76. .921 1, .00 73. .97

4009 CA GLN A 514 0. .820 72. .366 75. .983 1, .00 73, .54

4010 CB GLN A 514 0. .911 71. .010 75. .293 1, .00 73. .34

4011 CG GLN A 514 2, .025 70. .887 74. .289 1, .00 73, .76

4012 CD GLN A 514 2, .192 69. .458 73 , .806 1, .00 74 , .59 4013 OEl GLN A 514 2, .458 68. .543 74. .597 1, .00 73, .56

4014 NE2 GLN A 514 2. .035 69. .257 72, .504 1 .00 75, .80

4015 C GLN A 514 0, .596 73, .466 74 , .956 1 .00 73, .56

4016 O GLN A 514 1, .486 73, .784 74 , .161 1 .00 73, .87

4017 N GLY A 515 0, .603 74, .043 74, .991 1 .00 73, .36 4018 CA GLY A 515 0 .958 75, .115 74 , .078 1, .00 72, .80

4019 C GLY A 515 0 .354 75, .014 72, .691 1 .00 73, .01

4020 O GLY A 515 0 .075 73, .944 72, .256 1 .00 73, .21

4021 N GLY A 516 0 .336 76, .142 71, .988 1 .00 73 .54

4022 CA GLY A 516 0 .231 76, .181 70, .653 1 .00 73 .70 4023 C GLY A 516 0 .679 75, .624 69, .578 1 .00 73 .67

4024 O GLY A 516 1 .669 76, .256 69, .190 1 .00 73 .81

4025 N ARG A 517 0 .330 74 .440 69 .086 1 .00 72 .95

4026 CA ARG A 517 1 .107 73 .778 68, .047 1 .00 71 .72

4027 CB ARG A 517 0 .201 73 .360 66 .895 1 .00 71 .80 4028 CG ARG A 517 0 .809 74 .415 66 .482 1 .00 72 .27

4029 CD ARG A 517 1, .660 73 , .900 65, .337 1, .00 72, .44

4030 NE ARG A 517 0, .873 73 , .708 64 , .122 1, .00 71, .46 4031 CZ ARG A 517 1..290 73..020 63..064 1..00 72 ,.01

4032 NHl ARG A 517 2. .488 72. .446 63. .069 1. .00 72. .06

4033 NH2 ARG A 517 0. .515 72. .919 61. .992 1. .00 71. .31

4034 C ARG A 517 -1, .716 72, .543 68. .675 1. .00 71, .09

4035 0 ARG A 517 -2. .861 72, .186 68. .390 1. .00 71, .03

4036 N ALA A 518 -0, .929 71, .893 69. .527 1. .00 69, .51

4037 CA ALA A 518 -1, .366 70, .693 70. .221 1. .00 69, .65

4038 CB ALA A 518 -0, .280 70, .211 71. .163 1. .00 67, .66

4039 C ALA A 518 -2. .631 71. .011 71. .001 1. .00 70, .39

4040 0 ALA A 518 -3. .402 70. .115 71. .358 1. .00 71, .61

4041 N ALA A 519 -2. .829 72. .298 71. .261 1. .00 71, .28

4042 CA ALA A 519 -3. .991 72. .770 71. .997 1. .00 72, .16

4043 CB ALA A 519 -3. .690 74. .113 72. .653 1. .00 71, .84

4044 C ALA A 519 -5, .185 72. .904 71. .065 1. .00 72, .33

4045 0 ALA A 519 -6. .281 72. .444 71. .383 1. .00 72, .73

4046 N ILE A 520 -4 , .970 73. .535 69. .915 1. .00 72 , .28

4047 CA ILE A 520 -6. .044 73 , .722 68, .948 1. .00 73, .02

4048 CB ILE A 520 -5. .525 74 , .320 67, .631 1. .00 75, .00

4049 CG2 ILE A 520 -6. .630 75. .149 66, .978 1. .00 74, .58

4050 CGI ILE A 520 -4 .294 75, .196 67, .899 1, .00 76, .27

4051 CDl ILE A 520 -3 .550 75, .623 66, .632 1. .00 77 .75

4052 C ILE A 520 -6 .687 72, .375 68, .634 1. .00 72, .69

4053 0 ILE A 520 -7 .888 72, .304 68, .353 1. .00 72 .46

4054 N CYS A 521 -5 .879 71 .314 68, .687 1. .00 71 .31

4055 CA CYS A 521 -6 .351 69 .957 68. .421 1, .00 70 .78

4056 CB CYS A 521 -5 .171 69, .023 68. .119 1. .00 70 .97

4057 SG CYS A 521 -4 .398 69 .274 66. .503 1, .00 70 .68

4058 C CYS A 521 -7 .157 69 .376 69 .583 1, .00 70 .42

4059 0 CYS A 521 -8 .372 69 .189 69 .470 1. .00 70 .45

4060 N GLY A 522 -6 .475 69 .083 70 .690 1. .00 69 .76

4061 CA GLY A 522 -7 .134 68 .516 71 .859 1, .00 68 .45

4062 C GLY A 522 -8 .494 69 .122 72 .163 1. .00 67 .56

4063 0 GLY A 522 -9 .330 68 .511 72 .830 1. .00 67 .41

4064 N LYS A 523 -8 .707 70 .332 71 .662 1. .00 66 .71

4065 CA LYS A 523 -9 .954 71 .054 71 .853 1. .00 66 .70

4066 CB LYS A 523 -9. .682 72. .558 71. .785 1. .00 67, .00

4067 CG LYS A 523 -10. .903 73 , .425 71. .504 1. .00 67, .19 4068 CD LYS A 523 -10..480 74 ,.867 71..311 1..00 65..92

4069 CE LYS A 523 -11. .633 75. .734 70. .862 1. .00 67. .28

4070 NZ LYS A 523 -11. .190 77. .145 70. .672 1. .00 68. .40

4071 C LYS A 523 -10. .989 70. .666 70. .803 1. .00 66. .63

4072 0 LYS A 523 -12. .111 70. .299 71. .143 1. .00 69. .11

4073 N TYR A 524 -10. .608 70. .756 69. .531 1. .00 65. .02

4074 CA TYR A 524 -11. .498 70. .422 68. .420 1. .00 63 , .52

4075 CB TYR A 524 -10. .973 71, .026 67. .123 1. .00 62. .48

4076 CG TYR A 524 -11. .293 72, .480 66. .955 1. .00 61. .58

4077 CDl TYR A 524 -10. .687 73, .448 67, .751 1. .00 61. .44

4078 CEl TYR A 524 -10, .999 74, .794 67, .596 1. .00 61. .81

4079 CD2 TYR A 524 -12, .216 72 .890 66, .001 1, .00 61, .38

4080 CE2 TYR A 524 -12, .536 74 .228 65, .838 1, .00 62, .28

4081 CZ TYR A 524 -11, .928 75 .174 66, .635 1, .00 62, .00

4082 OH TYR A 524 -12, .261 76 .495 66 .465 1, .00 62, .66

4083 C TYR A 524 -11 .710 68 .931 68 .190 1, .00 62, .77

4084 0 TYR A 524 -12 .796 68 .507 67 .799 1, .00 62, .61

4085 N LEU A 525 -10 .668 68 .141 68 .416 1, .00 62, .53

4086 CA LEU A 525 -10 .749 66 .703 68 .216 1, .00 62, .91

4087 CB LEU A 525 -9 .374 66 .132 67 .861 1, .00 61, .72

4088 CG LEU A 525 -8 .665 66 .609 66 .594 1, .00 61, .70

4089 CDl LEU A 525 -7 .384 65 .800 66 .419 1, .00 61, .31

4090 CD2 LEU A 525 -9 .575 66 .441 65 .381 1, .00 62 .06

4091 C LEU A 525 -11 .288 65 .937 69 .418 1, .00 63 .91

4092 0 LEU A 525 -11 .660 64 .771 69 .289 1 .00 66 .17

4093 N PHE A 526 -11 .322 66 .562 70 .589 1 .00 63 .58

4094 CA PHE A 526 -11 .820 65 .855 71 .763 1 .00 63 .01

4095 CB PHE A 526 -10 .655 65 .498 72 .681 1 .00 64 .03

4096 CG PHE A 526 -9 .689 64 .533 72 .064 1 .00 66 .07

4097 CDl PHE A 526 -8 .741 64 .970 71 .141 1 .00 67 .42

4098 CD2 PHE A 526 -9 .755 63 .177 72 .369 1. .00 66 .69

4099 CEl PHE A 526 -7 .871 64 .068 70 .528 1 .00 68 .17

4100 CE2 PHE A 526 -8 .891 62 .263 71 .763 1 .00 67 .94

4101 CZ PHE A 526 -7 .946 62 .709 70 .839 1 .00 68 .45

4102 C PHE A 526 -12 .914 66 .575 72 .538 1 .00 61 .32

4103 0 PHE A 526 -13 .229 66 .213 73 .667 1 .00 59 .93

4104 N ASN A 527 -13 .504 67 .583 71 .909 1 .00 60 .86 4105 CA ASN A 527 ^■14.573 68.346 72..524 1..00 61..59

4106 CB ASN A 527 •15.088 69.400 71. .541 1. .00 63. .51

4107 CG ASN A 527 ■15.850 70.513 72. .228 1. .00 63. .56

4108 ODl ASN A 527 ^■15.326 71.169 73. .128 1. .00 63. .90

4109 ND2 ASN A 527 •17.089 70.735 71. .805 1. .00 64. .13

4110 C ASN A 527 ■15.700 67.393 72. .890 1. .00 61. .21 4111 0 ASN A 527 -16.518 67.685 73. .764 1. .00 62. .60 4112 N TRP A 528 -15.719 66.244 72. .219 1. .00 60. .40 4113 CA TRP A 528 -16.738 65.216 7722., .442255 1. .00 58. .44 4114 CB TRP A 528 -16.756 64.238 7711., .224411 1. .00 55. .75 4115 CG TRP A 528 -15.481 63.436 7711., .009911 1. .00 52. .17 4116 CD2 TRP A 528 -15.086 62.289 7711., .885588 1. .00 48, .75 4117 CE2 TRP A 528 •13.805 61.900 7711., .440000 1, .00 49, .30

4118 CE3 TRP A 528 ^■15.684 61.555 7722., .888866 1, .00 48, .73

4119 CDl TRP A 528 -14.452 63.684 7700., .222233 1, .00 51, .96

4120 NEl TRP A 528 -13.443 62.766 7700., .440044 1. .00 49, .62

4121 CZ2 TRP A 528 -13.113 60.808 7711. .994422 1, .00 49, .95

4122 CZ3 TRP A 528 -14.995 60.469 7733., .442244 1, .00 48, .79

4123 CH2 TRP A 528 -13.723 60.107 7722. .995500 1, .00 48, .63

4124 C TRP A 528 -16.565 64.406 7733. .669977 1, .00 58, .52

4125 O TRP A 528 -17.514 63.784 74 .170 1, .00 59, .56

4126 N ALA A 529 -15.356 64.389 74 .239 1, .00 59, .15

4127 CA ALA A 529 -15.086 63.610 75 .442 1, .00 60, .99

4128 CB ALA A 529 ^■13.694 62.996 75 .352 1. .00 59, .64

4129 C ALA A 529 15.217 64.414 76 .732 1, .00 62, .67

4130 O ALA A 529 ^•14.575 64.100 77 .738 1, .00 62 .42

4131 N VAL A 530 ^■16.062 65.438 76 .717 1, .00 64 .99

4132 CA VAL A 530 ^•16.226 66.272 77 .898 1, .00 67 .06

4133 CB VAL A 530 ^■15.224 67.446 7777. .886633 1, .00 67 .64

4134 CGI VAL A 530 •13.794 66.917 77 .949 1, .00 66, .99 4135 CG2 VAL A 530 ^■15.412 68.247 76 .579 1, .00 68 .30 4136 C VAL A 530 ^■17.627 66.845 78 .081 1, .00 68, .59

4137 O VAL A 530 ^■18.155 67.516 7777. .119900 1, .00 69, .44 4138 N ARG A 531 ^■18.231 66.579 7799. .223377 1, .00 70, .45

4139 CA ARG A 531 ^■19.563 67.111 79 .527 1, .00 71. .89

4140 CB ARG A 531 ^■19.947 66.812 80 .986 1, .00 73, .18 4141 CG ARG A 531 ^■20.764 65.522 81 .210 1, .00 73 , .89 4142 CD ARG A 531 -20.531 64.961 82.625 1.00 75.37

4143 NE ARG A 531 -21.751 64.515 83.305 1.00 77.49

4144 CZ ARG A 531 -22.568 63.558 82.863 1.00 78.62

4145 NHl ARG A 531 -23.647 63.236 83.567 1.00 77.53 4146 NH2 ARG A 531 -22.315 62.924 81.721 1.00 78.25

4147 C ARG A 531 -19.489 68.626 79.290 1.00 71.98 4148 O ARG A 531 -20.341 69.214 78.618 1.00 70.48 4149 N THR A 532 -18.451 69.245 79.843 1.00 72.76

4150 CA THR A 532 -18.238 70.678 79.674 1.00 73.62

4151 CB THR A 532 -17.112 71.198 80.597 1.00 74.25

4152 OGl THR A 532 -17.427 70.884 81.961 1.00 74.27

4153 CG2 THR A 532 -16.954 72.711 80.448 1.00 73.52

4154 C THR A 532 -17.810 70.862 78.231 1.00 73.09 4155 O THR A 532 -16.729 70.423 77.842 1.00 73.71 4156 N LYS A 533 -18.652 71.508 77.436 1.00 72.91 4157 CA LYS A 533 -18.333 71.699 76.029 1.00 73.23

4158 CB LYS A 533 -19.417 71.058 75.160 1.00 72.81

4159 CG LYS A 533 -19. ,579 69. .571 75, .401 1. .00 73. .00

4160 CD LYS A 533 -20. .496 68, .932 74 , .372 1. .00 73. .32

4161 CE LYS A 533 -20. .598 67, .427 74 , .603 1. .00 74. .05

4162 NZ LYS A 533 -19. .275 66, .740 74 , .535 1. .00 73 .76

4163 C LYS A 533 -18. .133 73, .143 75, .598 1. .00 73 .58

4164 0 LYS A 533 -19. .091 73. .918 75, .516 1. .00 73 .24

4165 N LEU A 534 -16. .881 73. .490 75, .312 1. .00 73 .87

4166 CA LEU A 534 -16. .539 74. .830 74 , .864 1. .00 74 .28

4167 CB LEU A 534 -15. .051 75, .114 75, .090 1. .00 73 .44

4168 CG LEU A 534 -14. .067 73, .989 74 , .772 1. .00 74 .24

4169 CDl LEU A 534 -12. .667 74 , .566 74, .662 1. .00 74 .47

4170 CD2 LEU A 534 -14. .128 72, .912 75 .858 1. .00 74 .70

4171 C LEU A 534 -16. .886 74 , .968 73 .386 1. .00 74 .61

4172 0 LEU A 534 -16. .707 74 , .037 72 .599 1. .00 74 .63

4173 N LYS A 535 -17, .392 76, .139 73 .022 1. .00 75 .31

4174 CA LYS A 535 -17. .797 76, .416 71 .652 1. .00 76 .55

4175 CB LYS A 535 -18. .471 77, .791 71 .595 1. .00 76 .86

4176 CG LYS A 535 -19, .621 77 .916 72 .588 1. .00 77 .36

4177 CD LYS A 535 -20, .277 79 .281 72 .530 1. .00 78 .56

4178 CE LYS A 535 -21, .383 79 .408 73 .572 1. .00 78 .54 4179 NZ LYS A 535 ■22.053 80.745 73.511 1.00 78.31

4180 C LYS A 535 ■16.651 76.338 70.642 1.00 75.96

4181 O LYS A 535 ■15.567 76.881 70.869 1.00 76.93 4182 N LEU A 536 ■16.911 75.648 69.531 1.00 75.14 4183 CA LEU A 536 -15.936 75.470 68.456 1.00 72.63 4184 CB LEU A 536 -15.854 73.993 68.062 1.00 70.92 4185 CG LEU A 536 -15.684 72.994 69.212 1.00 70.06

4186 CDl LEU A 536 -15.667 71.569 68.669 1.00 69.97

4187 CD2 LEU A 536 -14.402 73.292 69.963 1.00 70.79

4188 C LEU A 536 -16.364 76.308 67.249 1.00 72.02 4189 O LEU A 536 -17.521 76.270 66.822 1.00 71.58 4190 N THR A 537 -15.423 77.067 66.704 1.00 71.61 4191 CA THR A 537 ^■15.709 77.926 65.565 1.00 70.76 4192 CB THR A 537 ^■15.806 79.389 66.013 1.00 71.41

4193 OGl THR A 537 -14.693 79.694 66.867 1.00 72.51

4194 CG2 THR A 537 -17.115 79.634 66.760 1.00 71.03

4195 C THR A 537 -14.622 77.804 64.511 1.00 69.18 4196 O THR A 537 -13.537 77.290 64.781 1.00 69.51 4197 N PRO A 538 -14.900 78.279 63.289 1.00 69.10

4198 CD PRO A 538 -16.108 79.021 62.887 1.00 68.93

4199 CA PRO A 538 -13.940 78.220 62.187 1.00 69.64

4200 CB PRO A 538 -14.434 79.314 61.256 1.00 69.26

4201 CG PRO A 538 ^■15.915 79.176 61.390 1.00 69.82 4202 C PRO A 538 •12.499 78.438 62.630 1.00 70.18 4203 O PRO A 538 ^■12.141 79.504 63.148 1.00 70.59 4204 N ILE A 539 ^■11.681 77.411 62.433 1.00 70.25 4205 CA ILE A 539 ^■10.277 77.472 62.799 1.00 71.30

4206 CB ILE A 539 -9.616 76.086 62.660 1.00 69.31

4207 CG2 ILE A 539 -8.185 76.130 63.186 1.00 69.52

4208 CGI ILE A 539 ^■10.434 75.057 63.442 1.00 68.21

4209 CDl ILE A 539 ^■9.857 73.660 63.433 1.00 66.83

4210 C ILE A 539 9.578 78.477 61.886 1.00 72.06

4211 O ILE A 539 -9.867 78.546 60.688 1.00 71.16

4212 N PRO A 540 -8.662 79.288 62.448 1.00 73.39

4213 CD PRO A 540 -8.339 79.375 63.887 1.00 74.55

4214 CA PRO A 540 -7.920 80.300 61.683 1.00 75.75

4215 CB PRO A 540 -6.971 80.888 62.726 1.00 74.77 4216 CG PRO A 540 ■7.772 80.770 64.008 1.00 74.76

4217 C PRO A 540 ■7.176 79.724 60.475 1.00 76.47

4218 0 PRO A 540 •7.531 79.994 59.322 1.00 75.38

4219 N ALA A 541 •6.145 78.929 60.757 1.00 77.58

4220 CA ALA A 541 ^■5.337 78.310 59.715 1.00 79.00

4221 CB ALA A 541 ^■3.970 77.919 60.274 1.00 79.22

4222 C ALA A 541 ^■6.036 77.087 59.119 1.00 80.21

4223 0 ALA A 541 ^■5.386 76.091 58.775 1.00 80.04

4224 N ALA A 542 •7.363 77.170 59.011 1.00 81.07

4225 CA ALA A 542 ^■8.177 76.098 58.431 1.00 81.10

4226 CB ALA A 542 9. .612 76. .172 58. .969 1.00 79.85

4227 C ALA A 542 8. .163 76. .343 56. .922 1.00 81.60

4228 O ALA A 542 8. .312 75. .420 56. .107 1.00 81.14

4229 N SER A 543 7. .968 77. .613 56. .576 1.00 81.82

4230 CA SER A 543 7. .904 78. .064 55. .194 1.00 81.37

4231 CB SER A 543 8. .589 79. .429 55. .071 1.00 81.89

4232 OG SER A 543 8, .147 80. .308 56. .096 1.00 81.49

4233 C SER A 543 6. .442 78, .163 54. .750 1.00 80.71

4234 O SER A 543 6. .106 77, .849 53 , .605 1.00 80.06

4235 N ARG A 544 5, .580 78. .594 55, .670 1.00 80.25

4236 CA ARG A 544 4 , .154 78, .740 55, .386 1.00 79.29

4237 CB ARG A 544 3. .428 79, .398 56, .571 1.00 79.78

4238 CG ARG A 544 3. .645 80, .898 56, .703 1.00 80.85

4239 CD ARG A 544 2 .595 81, .527 57, .624 1.00 82.72

4240 NE ARG A 544 2 .553 82, .988 57, .493 1.00 84.05

4241 CZ ARG A 544 1.662 83.780 58.090 1.00 83.67

4242 NHl ARG A 544 1.713 85.096 57.902 1.00 82.32

4243 NH2 ARG A 544 ^■0.720 83.262 58.873 1.00 82.40

4244 C ARG A 544 ^■3.493 77.401 55.084 1.00 77.89

4245 O ARG A 544 ^■2.835 76.824 55.955 1.00 77.79

4246 N LEU A 545 ^■3.676 76.915 53.855 1.00 76.65

4247 CA LEU A 545 ^■3.086 75.646 53.414 1.00 75.27

4248 CB LEU A 545 ^■3.275 74.567 54.485 1.00 75.23

4249 CG LEU A 545 ^■2.349 73.353 54.400 1.00 75.06

4250 CDl LEU A 545 -0.886 73.819 54.338 1.00 73.86

4251 CD2 LEU A 545 -2.591 72.454 55.610 1.00 74.33

4252 C LEU A 545 -3.673 75.151 52.086 1.00 74.52 4253 0 LEU A 545 -4.897 75.144 51..890 1..00 73..45

4254 N LEU A 546 -2.790 74.742 51. .176 1. .00 72. ,81

4255 CA LEU A 546 -3.217 74.244 4499.. .887711 1. .00 71. ,32

4256 CB LEU A 546 -2.078 74.339 4488.. .884433 1. ,00 70. .42

4257 CG LEU A 546 -2.235 73.503 4477.. .556600 1. .00 69. .89

4258 CDl LEU A 546 ^■3.591 73.789 4466.. .991177 1. ,00 68. .62

4259 CD2 LEU A 546 ^■1.085 73.807 4466.. .559922 1. .00 68. .39

4260 C LEU A 546 ^■3.673 72.802 4499., .998822 1. .00 70. .02

4261 0 LEU A 546 -2.960 71.950 5500,. .551188 1. .00 68. .74

4262 N LEU A 547 -4.863 72.532 4499,. .446644 1, .00 68. .87

4263 CA LEU A 547 -5.399 71.188 4499. .552222 1. .00 69. .51

4264 CB LEU A 547 -6.433 71.092 5500. .663388 1. .00 67. .56

4265 CG LEU A 547 -5.866 71.136 5522. .005544 1, .00 65, .94

4266 CDl LEU A 547 -7.014 71.089 5533. .004433 1. .00 65, .53

4267 CD2 LEU A 547 -4.910 69.966 52 .275 1. .00 64. .68

44226688 C LEU A 547 -6.016 70.724 48 .214 1. .00 70. .01

44226699 0 LEU A 547 -6.748 69.734 4488. .119922 1. .00 69. .68

44227700 N SER A 548 •5.724 71.419 4477. .112211 1, .00 70. .20

44227711 CA SER A 548 ^•6.298 71.002 4455..885555 1. .00 70. .85

44227722 CB SER A 548 ^■5.877 71.931 4444. .772244 1. .00 72. .55 4273 OG SER A 548 ^■6.493 71.516 4433..551100 1. .00 74. .30 4274 C SER A 548 ^■5.882 69.576 4455..551144 1, .00 70, .27 4275 O SER A 548 ^■6.690 68.648 4455..661166 1 .00 71, .49 4276 N GLY A 549 ^■4.621 69.408 4455 ..112211 1, .00 67, .68

4277 CA GLY A 549 ^■4.116 68.094 4444 ..775500 1 .00 65. .70

4278 C GLY A 549 -4.810 66.906 4455..339966 1 .00 63. .01

4279 0 GLY A 549 -4.986 65.858 4444..777733 1 .00 62 .56

4280 N TRP A 550 5.219 67.091 46.645 1.00 60.19

4281 CA TRP A 550 5.880 66.060 47.432 1.00 59.22

4282 CB TRP A 550 ^■6.345 66.663 48.753 1.00 59.70

4283 CG TRP A 550 ^■5.263 66.710 49.764 1.00 60.57

4284 CD2 TRP A 550 ^■5.351 66.292 51.127 1.00 60.41

4285 CE2 TRP A 550 ^■4.082 66.494 51.709 1.00 61.24

4286 CE3 TRP A 550 ^■6.379 65.767 51.914 1.00 60.09

4287 CDl TRP A 550 ^■3.980 67.140 49.575 1.00 61.48

4288 NEl TRP A 550 ^■3.262 67.011 50.742 1.00 62.29

4289 CZ2 TRP A 550 ^■3.817 66.187 53.042 1.00 61.80 4290 CZ3 TRP A 550 -6.115 65.462 53.236 1.00 60.84

4291 CH2 TRP A 550 -4.845 65.673 53.787 1.00 61.46

4292 C TRP A 550 -7.024 65.272 46.804 1.00 57.34

4293 O TRP A 550 -6.967 64.050 46.740 1.00 56.70 4294 N PHE A 551 -8.073 65.944 46.353 1.00 55.08

4295 CA PHE A 551 -9.175 65.203 45.772 1.00 53.10

4296 CB PHE A 551 ^■10.415 65.319 46.666 1.00 54.15

4297 CG PHE A 551 ^■10.183 64.829 48.074 1.00 54.39

4298 CDl PHE A 551 -9.556 65.638 49.011 1.00 55.44 4299 CD2 PHE A 551 ^■10.513 63.531 48.436 1.00 56.32

4300 CEl PHE A 551 -9.256 65.158 50.289 1.00 56.38

4301 CE2 PHE A 551 ^•10.218 63.040 49.714 1.00 56.86

4302 CZ PHE A 551 -9.586 63.857 50.639 1.00 57.46 4303 C PHE A 551 -9.475 65.655 44.366 1.00 52.87 44330044 0 PHE A 551 -10.412 66.415 44.128 1.00 54.17 4305 N VAL A 552 -8.668 65.172 43.430 1.00 50.72

4306 CA VAL A 552 -8.844 65.526 42.035 1.00 49.30

4307 CB VAL A 552 ^■7.701 66.458 41.550 1.00 52.21

4308 CGI VAL A 552 ■7.907 66.821 40.073 1.00 51.03

4309 CG2 VAL A 552 -7. .650 67. .721 42. .422 1.00 51.07

4310 C VAL A 552 -8, .892 64. .299 41. .136 1.00 46.97

4311 0 VAL A 552 -9. .673 64. .254 40, .184 1.00 45.13 4312 N ALA A 553 -8, .055 63 , .306 41, .428 1.00 43.68 4313 CA ALA A 553 -8, .040 62. .106 40, .606 1.00 42.31 44331144 CB ALA A 553 -7, .270 62. .366 39, .315 1.00 42.92 4315 C ALA A 553 -7, .458 60. .912 41, .334 1.00 41.21 4316 O ALA A 553 -6, .904 61. .043 42, .413 1.00 42.49 4317 N GLY A 554 -7, .604 59. .737 40, .737 1.00 40.68

4318 CA GLY A 554 -7, .089 58. .536 41, .354 1.00 39.93 4319 C GLY A 554 -5. .719 58. .193 40, .812 1.00 39.81

4320 O GLY A 554 -5, .469 58. .322 39, .610 1.00 38.72

4321 N TYR A 555 -4.838 57.749 41.702 1.00 37.41

4322 CA TYR A 555 -3.482 57.381 41.325 1.00 38.13

4323 CB TYR A 555 -2.509 58.464 41.763 1.00 35.27 4324 CG TYR A 555 -2.804 59.828 41.201 1.00 35.18

4325 CDl TYR A 555 -3.468 60.790 41.968 1.00 34.52

4326 CEl TYR A 555 -3.695 62.073 41.474 1.00 36.18 4327 CD2 TYR A 555 -2,.380 60,.179 39,.920 1,.00 32,.82

4328 CE2 TYR A 555 -2. .600 61. .461 39, .413 1. .00 34. .97

4329 CZ TYR A 555 -3. .256 62. .402 40. .196 1. .00 36. .37

4330 OH TYR A 555 -3, .470 63, .671 39. .712 1. .00 37. .08

4331 C TYR A 555 -3. .046 56. .066 41. .957 1 , .00 38. .36

4332 0 TYR A 555 -1, .857 55. .777 42. .034 1. .00 38. .94

4333 N SER A 556 -4 , .004 55, .277 42, .419 1. .00 37. .42

4334 CA SER A 556 -3, .679 54. .020 43, .061 1. .00 36. .76

4335 CB SER A 556 -4, .958 53, .259 43, .396 1, .00 38, .36

4336 OG SER A 556 -4, .658 52, .086 44 .130 1 , .00 43, .35

4337 C SER A 556 -2 .777 53, .179 42 .167 1. .00 36, .76

4338 0 SER A 556 -3. .049 53, .002 40 .981 1. .00 37, .38

4339 N GLY A 557 -1 .694 52, .667 42 .738 1, .00 34. .43

4340 CA GLY A 557 -0 .773 51, .863 41 .958 1, .00 33, .07

4341 C GLY A 557 0, .074 52. .709 41, .009 1, .00 35. .39

4342 0 GLY A 557 0. .925 52. .178 40 .295 1, .00 37. .34

4343 N GLY A 558 -0, .133 54. .023 41 .015 1. .00 33. .16

4344 CA GLY A 558 0, .611 54. .882 40 .109 1, .00 36. .54

4345 C GLY A 558 1, .930 55, .485 40 .583 1 , .00 37. .63

4346 0 GLY A 558 2, .483 56, .337 39 .905 1 , .00 37. .30

4347 N ASP A 559 2 .430 55, .067 41 .738 1, .00 37. .43

4348 CA ASP A 559 3, .684 55. .590 42 .237 1, .00 39. .86

4349 CB ASP A 559 4 , .818 55, .022 41 .393 1, .00 42, .59

4350 CG ASP A 559 6, .175 55, .416 41 .910 1, .00 44 , .53

4351 ODl ASP A 559 6 .375 55, .382 43 .145 1, .00 45, .57

4352 OD2 ASP A 559 7 .045 55, .741 41 .082 1, .00 47, .65

4353 C ASP A 559 3 .757 57, .124 42 .250 1, .00 41, .88

4354 0 ASP A 559 4 .705 57, .719 41 .721 1, .00 41, .52

4355 N ILE A 560 2, .764 57. .761 42, .863 1. .00 43. .56

4356 CA ILE A 560 2, .713 59. .220 42, .937 1. .00 46. .33

4357 CB ILE A 560 1, .370 59. .752 42 .367 1. .00 46. .92

4358 CG2 ILE A 560 1, .287 61, .275 42, .505 1. .00 48. .01

4359 CGI ILE A 560 1, .238 59. .335 40 .899 1. .00 46. .83

4360 CDl ILE A 560 2, .414 59, .749 40 .020 1. .00 44. .40

4361 C ILE A 560 2, .912 59, .763 44 .353 1. .00 47. .83

4362 0 ILE A 560 2, .498 59, .146 45 .338 1. .00 48. .89

4363 N TYR A 561 3, .552 60, .926 44 .435 1, .00 50. .67 4364 CA TYR A 561 3..849 61..596 45..704 1..00 53..88

4365 CB TYR A 561 5. .329 61. .401 46. .053 1. .00 55, .61

4366 CG TYR A 561 5, .777 62. .104 47. .312 1. .00 57, .43

4367 CDl TYR A 561 5. .738 61. .455 48. .548 1. .00 58. .86

4368 CEl TYR A 561 6. .134 62, .105 49. .719 1. .00 58. .41

4369 CD2 TYR A 561 6 .222 63, .428 47. .274 1. .00 57. .33

4370 CE2 TYR A 561 6 .617 64, .090 48. .440 1. .00 57. .85

4371 CZ TYR A 561 6 .572 63. .422 49. .660 1. .00 58, .49

4372 OH TYR A 561 6. .966 64. .064 50. .817 1. .00 59. .54

4373 C TYR A 561 3, .559 63, .090 45. .575 1. .00 55. .04

4374 0 TYR A 561 33.. .995577 6633,. .771111 44. .598 1. .00 54. .67

4375 N HIS A 562 22.. .888822 63, .670 46. .562 1. ,00 58, .57

4376 CA HIS A 562 22.. .556622 65. .102 46. .533 1. .00 61, .69

4377 CB HIS A 562 11.. .004444 65, .294 46. .411 1. .00 60, .88

4378 CG HIS A 562 00.. .448822 6644,. .889955 45. .078 1. .00 59, .99

4379 CD2 HIS A 562 11.. .004488 64, .839 43. .849 1. .00 59, .50

4380 NDl HIS A 562 ^• 00,. .884400 64 .538 44. .904 1. .00 60, .44

4381 CEl HIS A 562 ^■ 11.. .006611 64 .280 43. .627 1. .00 59, .14

4382 NE2 HIS A 562 00,. .006688 64 .455 42. .965 1. .00 58, .91

4383 C HIS A 562 33.. .009933 65 .814 47. .790 1. .00 64, .62

4384 0 HIS A 562 3, .155 65 .219 48. .867 1. .00 65, .56

4385 N SER A 563 3, .474 67 .084 47. .653 1. .00 68, .60

4386 CA SER A 563 4 , .018 67 .862 48. .779 1. .00 71, .34

4387 CB SER A 563 5, .393 68 .432 48. .412 1. .00 71, .93

4388 OG SER A 563 6. .367 67 .406 48. .316 1. .00 72, .23

4389 C SER A 563 33,. .112288 6699. .000011 49. .304 1. .00 73, .13

4390 0 SER A 563 33.. .118811 6699. .226611 50. .531 1, .00 73 .08

4391 OXT SER A 563 2. .411 69 .636 48. .492 1, .00 73, .64

4392 C2 INH A 600 - 88.. .662222 54 .764 47, .579 1, .00 43 .00

4393 N INH A 600 - 88.. .446655 54 .728 49, .040 1, .00 42 .68 4394 C INH A 600 - 88,. .117788 55 .822 49, .802 1, .00 44 .36 4395 O INH A 600 - 88,. .005577 56 .956 49, .342 1, .00 43 .13

4396 Cl INH A 600 - 99..773399 5555..111177 46,.892 11,..0000 4433..4444

4397 CB2 INH A 600 -11.038 55.611 47.382 1.00 42.54

4398 CB3 INH A 600 -12.167 55.743 46.544 1.00 42.45

4399 CB6 INH A 600 -13.432 56.768 48.378 1.00 44.27

4400 CBl INH A 600 -11.145 56.049 48.691 1.00 43.02 4401 CB5 INH A 600 -12.306 56.613 49.189 1.00 44.55 4402 CA1 INH A 600 -14.812 57.569 50.235 1.00 46.57

4403 CA2 INH A 600 -14.571 58.868 50.725 1.00 47.78

4404 CA3 INH A 600 -14.809 59.178 52.093 1.00 47.17

4405 CA4 INH A 600 -15.333 58.195 52.956 1.00 46.50

4406 CA5 INH A 600 -15.620 56.902 52.472 1.00 46.36

4407 CA6 INH A 600 -15, .348 56, .597 51. .126 1.00 47.31

4408 C02 INH A 600 -7, .450 54, .282 46. .796 1.00 44.37

4409 OCl INH A 600 -7, .497 54. .388 45. .553 1.00 46.97

4410 OC2 INH A 600 -6, .491 53, .729 47. .378 1.00 43.18

4411 CC1 INH A 600 -8, .046 55, .536 51. .227 1.00 46.73

4412 CC2 INH A 600 -7, .272 56, .390 52, .039 1.00 46.77

4413 CC3 INH A 600 -7 .311 56 .244 53, .437 1.00 47.78 4414 CC4 INH A 600 -8 .128 55 .241 54, .021 1.00 49.73 4415 CC5 INH A 600 -8, .860 54, .344 53. .208 1.00 48.58 4416 CC6 INH A 600 -8, .801 54, .478 51, .809 1.00 48.67

4417 CB4 INH A 600 -13.346 56.360 47.040 1.00 43.29

4418 OAB INH A 600 -14.612 57.286 48.873 1.00 46.29

4419 BRA2 INH A 600 -14.095 60.210 49.516 1.00 59.46

4420 CL-1 CLl B 701 -30.214 52.287 62.855 1.00 56.10

4421 P P04 B 702 -25.851 49.590 59.740 1.00 74.29

4422 01 P04 B 702 -24.647 50.244 59.161 1.00 73.97

4423 02 P04 B 702 -25.584 49.247 61.158 1.00 71.49

4424 03 P04 B 702 -27.005 50.519 59.657 1.00 73.83

4425 04 P04 B 702 -26.167 48.349 58.979 1.00 72.32

4426 Cl GOL C 600 6.255 48.631 44.722 1.00 60.86

4427 01 GOL C 600 5.370 47.646 45.295 1.00 60.64

4428 C2 GOL C 600 6.034 49.288 43.295 1.00 60.88

4429 02 GOL C 600 4.723 49.481 42.786 1.00 59.15

4430 C3 GOL C 600 6.657 50.699 43.240 1.00 60.51

4431 03 GOL C 600 6.247 51.273 42.021 1.00 60.84

4432 Cl GOL C 601 11.498 64.974 26.685 1.00 69.99

4433 Ol GOL C 601 12.751 64.839 27.327 1.00 69.41

4434 C2 GOL C 601 10.395 65.334 27.707 1.00 69.78

4435 02 GOL C 601 10.899 65.446 29.019 1.00 69.16

4436 C3 GOL C 601 9.637 66.623 27.422 1.00 70.72

4437 03 GOL C 601 9.112 67.109 28.650 1.00 70.37 4438 Cl GOL C 602 -11.438 51.994 49.609 1.00 66.25

4439 01 GOL C 602 -10.733 51.469 50.748 1.00 66.88

4440 C2 GOL C 602 -11.642 51.060 48.353 1.00 65.88

4441 02 GOL C 602 -11.368 51.655 47.090 1.00 62.49 4442 C3 GOL C 602 -13.029 50.384 48.294 1.00 65.60 4443 03 GOL C 602 -13.342 49.749 47.061 1.00 67.00 4444 Cl GOL C 605 -21.006 56.235 72.353 1.00 68.84 4445 Ol GOL C 605 -22.321 56.046 71.835 1.00 70.04 4446 C2 GOL C 605 -21.050 56.165 73.890 1.00 69.31 4447 02 GOL C 605 -21.865 55.052 74.261 1.00 69.74

4448 CC33 GOL C 605 -19.659 56.206 74.599 1.00 68.88

4449 0033 GOL C 605 -19.684 56.815 75.887 1.00 67.72

4450 OO HOH W 1 -14.836 59.010 45.854 1.00 41.04 4451 OO HOH W 2 •16.117 59.868 56.350 1.00 40.11 4452 OO HOH W 3 •11.754 52.515 53.927 1.00 57.53 4453 OO HOH W 4 -6.384 51.949 53.850 1.00 57.20 4454 OO HOH W 5 -25.713 47.109 63.664 1.00 26.91 4455 OO HOH W 6 -9.883 51.616 55.659 1.00 41.63 4456 OO HOH W 7 -9.665 52.951 44.249 1.00 37.61 4457 OO HOH W 8 -26.439 52.610 58.372 1.00 39.04 4458 OO HOH W 9 -24.264 52.580 59.623 1.00 46.27 4459 OO HOH W 10 -24.197 48.771 55.796 1.00 41.03

4460 OO HOH W 11 -7.054 55.475 43.025 1.00 40.95

4461 OO HOH W 12 -2.524 47.966 31.762 1.00 26.24

4462 OO HOH W 13 ^•18.390 60.744 82.120 1.00 37.82 4463 Oo HOH W 14 ^■17.919 48.199 43.003 1.00 33.60 4464 Oo HOH W 15 -6.479 63.424 43.915 1.00 41.43 4465 O0 HOH W 16 13.644 48.305 27.159 1.00 34.59

4466 OO HOH W 17 3.864 57.073 37.516 1.00 27.44

4467 OO HOH w 18 23.851 46.305 56.034 1.00 42.36

4468 OO HOH w 19 0.035 34.970 53.162 1.00 43.86 4469 O0 HOH w 20 4.833 45.026 29.926 1.00 30.72 4470 Oo HOH w 21 -13.494 44.922 32.789 1.00 26.36 4471 Oo HOH w 22 -7.239 40.855 25.341 1.00 38.43 4472 Oo HOH w 23 1.035 66.349 25.005 1.00 58.33 4473 Oo HOH w 24 -12.930 46.417 24.256 1.00 34.71 4474 Oo HOH w 25 14.730 53.234 46.062 1.00 57.08 4475 0 HOH W 26 -13.772 45.902 58.474 1.00 37.97

4476 O HOH 27 12.155 47.106 29.138 1.00 31.16

4477 O HOH W 28 -2.805 41.338 49.567 1.00 52.48

4478 O HOH W 29 ^■23.648 46.835 48.675 1.00 24.57

4479 O HOH 30 -24.342 53.664 51.670 1.00 30.65

4480 O HOH 31 -23.899 37.580 29.401 1.00 33.94

4481 O HOH 32 8.564 38.060 43.010 1.00 33.62 4482 o HOH W 33 -17.571 73.629 57.745 1.00 52.15 4483 o HOH 34 6.782 34.532 30.255 1.00 29.38 4484 o HOH W 35 -6.298 58.966 3377.. .005511 1. .00 31. .37 4485 0 HOH W 36 8.192 57.385 3399.. .552299 1. .00 41. .34 4486 O HOH 37 -2.821 76.981 7711.. .996655 1. .00 77, .60 4487 0 HOH 38 14.162 49.171 2233.. .111122 1. .00 32, .46 4488 o HOH 39 3.681 42.665 3322.. .336699 1. .00 34, .17

4489 O HOH W 40 31.344 44.425 5522.. .222288 1. .00 43, .59

4490 O HOH W 41 19.314 65.773 6699.. .221122 1. .00 56, .39 4491 O HOH W 42 10.527 41.534 2266.. .228822 1. .00 43 , .84 4492 O HOH 43 5.125 31.012 3366.. .994499 1. .00 46, .37 4493 O HOH 44 -9.555 76.386 5533.. .662266 1. .00 72, .98 4494 O HOH 45 -13.674 77.877 6699.. .553399 1. .00 60, .38 4495 O HOH W 46 -4.902 70.485 7733.. .447700 1. .00 79, .57 4496 O HOH W 47 6.309 38.636 4466.. .775555 1. .00 36, .70 4497 O HOH 48 -8.510 43.837 4400.. .222299 1. .00 29 .49 4498 O HOH W 49 -4.601 35.624 7722,. .991133 1. .00 51, .25 4499 O HOH 50 0.957 69.285 5577,. .998866 1. .00 64, .42 4500 O HOH 51 -4.840 40.394 3377,. .883344 1. .00 35 .40 4501 O HOH W 52 24.332 60.715 39, .335 1, .00 61 .32 4502 O HOH W 53 16.443 32.503 39, .804 1. .00 63 .70 4503 O HOH W 54 9.606 26.204 4400.. .440055 1. .00 41. .06 4504 O HOH 55 -4.721 56.861 3366., .990033 1. .00 43. .12 4505 O HOH 56 11.502 46.991 2266.. .331122 1. .00 47. .07 4506 O HOH 57 4.399 32.470 3300.. .663355 1. .00 29. .18 4507 O HOH 58 -2.750 70.158 4477.. .110033 1. .00 77, .23 4508 O HOH 59 ^■31.342 40.563 4400.. .332222 1. .00 43. .53 4509 O HOH 60 ^■10.814 46.237 5533.. .227700 1. .00 46. .73 4510 O HOH 61 -3.005 50.702 31, .729 1. .00 35. .69 4511 O HOH 62 -0.628 51.902 64 , .398 1. .00 92. .61 4512 0 HOH W 63 -3..318 55,.672 54..121 1,.00 49,.49

4513 0 HOH W 64 -0. .159 45, .306 66. .407 1. .00 74, .81

4514 0 HOH W 65 -3. .106 54 , .220 38. .854 1. .00 37, .13

4515 0 HOH W 66 -4. .880 74. .200 75. .808 1. .00 63, .67

4516 0 HOH W 67 -17. .721 46, .680 38. .858 1. .00 30, .38

4517 0 HOH W 68 -0. .514 73, .040 51. .302 1. .00 79, .56

4518 0 HOH W 69 -5, .206 74 , .144 56. .681 1. .00 62, .71

4519 0 HOH W 70 5, .370 66, .450 70. .897 1, .00 55, .98

4520 0 HOH W 71 -3. .556 52. .078 27. .022 1. .00 28. .80

4521 0 HOH W 72 -7. .953 74. .034 51, .486 1. .00 70. .55

4522 0 HOH W 73 -19. .072 51. .085 61. .818 1. .00 38. .57

4523 0 HOH W 74 3. .693 44. .343 25. .130 1. .00 34. .77

4524 0 HOH W 75 -27. .366 39. .703 38. .563 1. .00 33. .89

4525 0 HOH W 76 -21. .539 44. .605 45. .147 1. .00 32. .58

4526 0 HOH W 77 -5. .270 62, .239 46. .128 1. .00 43. .64

4527 0 HOH W 78 -2. .593 30, .476 31. .099 1, .00 43. .41

4528 0 HOH W 79 -11. .517 50, .167 27. .623 1. .00 32, .91

4529 0 HOH 80 -13. .328 70, .202 74. .591 1, .00 79, .37

4530 0 HOH W 81 -5. .419 74 , .844 44 , .996 1. .00 74 , .93

4531 0 HOH W 82 -38. .121 50, .514 32, .422 1. .00 41, .81

4532 0 HOH W 83 -4 , .297 52, .532 29, .641 1. .00 46, .52

4533 0 HOH w 84 -16, .973 54 , .232 81, .600 1. .00 68, .24

4534 0 HOH w 85 -31, .577 53. .649 54, .542 1 .00 37, .08

4535 0 HOH w 86 -6, .224 74. .337 53, .965 1. .00 49, .38

4536 0 HOH w 87 -26, .742 66. .161 51, .688 1, .00 54 , .48

4537 0 HOH w 88 -8, .011 49. .873 56, .254 1 .00 50, .82

4538 0 HOH w 89 -2, .175 40, .430 72, .164 1 .00 55, .14

4539 0 HOH w 90 -29. .303 40, .245 28, .387 1, .00 50, .29

4540 0 HOH w 91 -1. .929 42, .468 38, .710 1, .00 55, .23

4541 0 HOH w 92 -19, .777 49, .472 54 , .804 1, .00 39, .12

4542 0 HOH w 93 -17, .312 39, .540 58. .254 1 .00 58, .33

4543 0 HOH w 94 2, .633 41, .931 24. .689 1, .00 26, .76

4544 0 HOH w 95 2, .004 72, .765 59, .376 1. .00 63, .75

4545 0 HOH w 96 2, .207 73 , .524 69, .636 1 .00 55, .06

4546 0 HOH w 97 -10, .578 30. .137 31, .911 1, .00 55, .46

4547 0 HOH w 98 -3. .856 70. .048 81. .392 1. .00 43. .62

4548 0 HOH w 99 -0. .990 53. .272 14. .325 1. .00 59. .60 4549 0 HOH W 100 -12..954 36..479 75..778 1.,00 69,.25

4550 0 HOH W 101 22. .563 56. .392 33. .615 1. .00 67, .82

4551 0 HOH W 102 -26. .028 45. .409 49. .025 1. .00 36, .68

4552 0 HOH W 103 11. .556 42, .849 35. .555 1. .00 54, .00

4553 0 HOH W 104 -26. .855 53, .486 23. .026 1. .00 43, .09

4554 0 HOH W 105 -33, .599 47, .164 51. .101 1. .00 64, .10

4555 0 HOH W 106 -10. .608 40, .954 57. .112 1. .00 43, .25

4556 0 HOH W 107 25. .375 63. .738 39. .910 1. .00 46, .67

4557 0 HOH 108 -22. .709 36. .269 34. .282 1. .00 40. .37

4558 0 HOH W 109 20. .916 63. .632 29. .986 1. ,00 60. .48

4559 0 HOH W 110 -0. .174 56. .574 68. .547 1. .00 61. .42

4560 0 HOH W 111 -6. .747 36. .395 73. .875 1. .00 62. .69

4561 0 HOH W 112 16. .307 55. .693 47. .053 1. .00 48. .28

4562 0 HOH W 113 -32. .029 59, .261 54. .377 1. .00 47. .80

4563 0 HOH W 114 23, .270 56, .264 45, .150 1. .00 52, .03

4564 0 HOH 115 2, .361 67, .760 63. .168 1. .00 67, .63

4565 0 HOH W 116 -0, .078 78, .535 68, .910 1. .00 72, .46

4566 0 HOH 117 -4 , .723 77, .706 63, .101 1. .00 65, .26

4567 0 HOH W 118 -25, .374 64, .745 81. .588 1. .00 64, .67

4568 0 HOH W 119 -20, .165 65 .185 57, .196 1. .00 41, .53

4569 0 HOH W 120 -4 , .076 40 .754 42, .640 1, .00 39 .48

4570 0 HOH W 121 12, .684 43 .644 40, .316 1. .00 48, .86

4571 0 HOH W 122 -31, .591 36 .176 40, .101 1. .00 73 .38

4572 0 HOH W 123 -14, .265 35 .408 63, .345 1. .00 68 .43

4573 0 HOH w 124 5, .962 53 .182 70, .255 1, .00 59 .86

4574 0 HOH w 125 -11, .495 52 .875 19, .813 1. .00 41 .38

4575 0 HOH w 126 14 , .948 30 .059 47, .213 1. .00 46 .64

4576 0 HOH w 127 9, .841 37 .431 32, .000 1. .00 45 .53

4577 0 HOH 128 -0, .917 37 .381 64 , .619 1. .00 61 .36

4578 0 HOH w 129 19, .903 45 .338 35, .323 1, .00 73 .84

4579 0 HOH 130 -14, .470 38 .112 36, .160 1. .00 70 .50

4580 0 HOH w 131 1, .746 64 .550 80. .162 1, .00 55 .72

4581 0 HOH w 132 9, .873 46 .585 37 .266 1. .00 41 .82

4582 0 HOH w 133 27, .170 50 .199 38 .787 1, .00 59 .52

4583 0 HOH w 134 -1, .875 35 .700 28. .572 1. .00 57 .24

4584 0 HOH w 135 -14. .118 72, .345 79, .278 1. .00 63, .72

4585 0 HOH 136 -10. .788 65, .377 38. .167 1. .00 58, .54 4586 0 HOH W 137 -1..771 43..239 70..528 1..00 62..47

4587 0 HOH W 138 15. .636 68. .167 34. .399 1. .00 53. .37

4588 0 HOH W 139 -8. .486 53. .467 41. .281 1. .00 39. .11

4589 0 HOH W 140 -24. .903 58. .566 69, .609 1. .00 56. .85

4590 0 HOH W 141 5. .516 58. .057 57, .786 1. .00 54. .69

4591 0 HOH W 142 -31. .379 58. .014 61, .333 1. .00 54. .98

4592 0 HOH W 143 0. .775 70. .094 35, .614 1. .00 53. .48

4593 0 HOH 144 -14. .847 66, .425 69, .090 1. .00 52. .76

4594 0 HOH W 145 -37. .444 54. .149 26, .825 1. .00 53. .27

4595 0 HOH w 146 13. .355 51, .666 33, .469 1. .00 48. .72

4596 0 HOH w 147 -32. .007 63, .727 67, .697 1. .00 47. .00

4597 0 HOH w 148 -18. .718 59, .675 74, .558 1. .00 62. .29

4598 0 HOH w 149 4 , .204 31. .671 43, .475 1. .00 35. .76

4599 0 HOH w 150 -23, .354 67, .678 80, .728 1. .00 72. .95

4600 0 HOH w 151 8, .454 34, .094 52 .914 1. .00 46. .53

4601 0 HOH w 152 4, .665 70, .789 32 .789 1. .00 62. .93

4602 0 HOH w 153 -32, .290 34, .043 34 .137 1. .00 56, .13

4603 0 HOH 154 0, .555 66, .203 17 .926 1. .00 73 , .31

4604 0 HOH 155 -7 .671 70, .585 28 .901 1. .00 60, .48

4605 0 HOH w 156 -17 .831 71, .990 48 .287 1. .00 56, .64

4606 0 HOH w 157 -31 .123 62, .439 37 .145 1. .00 52, .30

4607 0 HOH w 158 -17 .735 64, .432 55 .096 1. .00 60, .32

4608 0 HOH w 159 -0 .608 75, .321 62 .530 1. .00 61, .42

4609 0 HOH 160 1 .928 42 .834 69 .420 1. .00 62, .02

4610 0 HOH w 161 -14 .310 37 .526 31 .167 1. .00 62, .44

4611 0 HOH w 162 6 .325 70, .991 44 .343 1. .00 54, .95

4612 0 HOH w 163 3, .237 69 .831 26 .165 1. .00 50, .49

4613 0 HOH w 164 18 .720 56, .919 45 .899 1, .00 66, .91

4614 0 HOH w 165 7 .724 62 .240 52 .624 1, .00 53, .75

4615 0 HOH w 166 -13 .586 81 .973 64 .482 1, .00 66, .98

4616 0 HOH w 167 -3 .232 52 .476 76 .605 1, .00 59, .65

4617 0 HOH w 168 -19 .182 46 .157 44 .993 1. .00 45, .32

4618 0 HOH 169 -26 .296 42 .974 66 .082 1. .00 43, .47

4619 0 HOH w 170 -2 .619 48 .181 47 .460 1. .00 51, .05

4620 0 HOH w 171 3 .676 56 .306 48 .569 1. .00 57, .24

4621 0 HOH w 172 -4 .204 53 .867 52 .043 1 , .00 49, .64

4622 0 HOH w 173 5 .230 73 .814 33 .249 1. .00 69, .77 4623 0 HOH W 174 -18,.308 54.683 43,.644 1..00 45..06

4624 0 HOH W 175 4 , .357 44 .875 50, .884 1, .00 59, .74

4625 0 HOH W 176 -14, .175 34 .561 32, .394 1, .00 51, .87

4626 0 HOH W 177 -0, .669 35 .798 66, .836 1, .00 62, .37

4627 0 HOH W 178 -21. .009 45 .951 58 .414 1. .00 52, .64

4628 0 HOH 179 8, .687 46 .713 64 .407 1. .00 67, .65

4629 0 HOH W 180 -33, .614 63 .265 63 .903 1. .00 66, .28

4630 0 HOH W 181 -9, .887 63 .684 36 .009 1. .00 57, .88

4631 0 HOH W 182 -5. .467 52, .254 20, .154 1. .00 43, .47

4632 0 HOH 183 -19. .036 30, .538 57, .998 1. .00 56. .32

4633 0 HOH W 184 4. .975 37, .760 62, .321 1. .00 53. .96

4634 0 HOH W 185 -31. .012 32, .582 37, .829 1. .00 54 , .53

4635 0 HOH 186 -1. .596 70, .463 66, .832 1, .00 88, .47

4636 0 HOH W 187 -15. .603 46, .649 73, .668 1. .00 61, .92

4637 0 HOH w 188 10. .464 62, .715 28, .703 1, .00 82, .06

4638 0 HOH w 189 -8. .775 57 .948 38, .020 1. .00 35, .51

4639 0 HOH w 190 6. .629 62, .248 56, .089 1, .00 43. .07

4640 0 HOH w 191 10. .431 71, .756 37, .383 1. .00 60, .73

4641 0 HOH w 192 -14. .963 28 .646 58 .458 1. .00 67, .24

4642 0 HOH w 193 -43. .808 58, .729 38 .022 1, .00 76, .09

4643 0 HOH w 194 -0. .238 75 .374 24 .795 1. .00 53, .23

4644 0 HOH w 195 -19. .946 60, .326 28 .332 1. .00 44, .53

4645 0 HOH w 196 5. .568 25, .992 40 .578 1, .00 46, .32

4646 0 HOH w 197 -19, .379 65, .835 59 .757 1. .00 44 , .46

4647 0 HOH w 198 -24 , .355 57 .245 33 .450 1. .00 57, .17

4648 0 HOH w 199 -39, .236 54 .876 40 .607 1, .00 41, .77

4649 0 HOH w 200 13 , .580 66 .968 29 .747 1. .00 73, .88

4650 0 HOH w 201 -12, .095 35 .428 53 .801 1. .00 56, .22

4651 0 HOH w 202 -1, .146 28, .019 40 .587 1, .00 50, .30

4652 0 HOH w 203 -15, .766 48, .255 84, .686 1. .00 54, .85

4653 0 HOH w 204 -20, .395 83 .034 73 .318 1, .00 57, .04

4654 0 HOH w 205 -2. .657 54 .372 18 .345 1. .00 48, .73

4655 0 HOH 206 -1, .080 29, .085 38 .120 1. .00 50, .49

4656 0 HOH w 207 -19, .991 64, .497 76 .013 1. .00 51, .93

4657 0 HOH w 208 6, .005 38, .301 69, .625 1. .00 70, .47

4658 0 HOH w 209 17. .784 47. .323 35. .269 1. .00 79. .35

4659 0 HOH w 210 0. .071 71. .198 49. .286 1. .00 92. .86 4660 0 HOH W 211 -10..795 36,.808 40..657 1..00 45..66

4661 0 HOH W 212 -10, .224 81, .893 61. .491 1. .00 61. .47

4662 0 HOH W 213 2, .590 72, .642 50. .124 1. .00 57. .19

4663 0 HOH 214 -23, .435 41, .672 69. .331 1. .00 53. .59

4664 0 HOH W 215 -18, .062 61, .301 55, .087 1. .00 40. .12

4665 0 HOH W 216 18, .883 60, .351 25, .775 1. .00 34 , .61

4666 0 HOH 217 -18, .042 53 .597 67, .705 1, .00 70, ,34

4667 0 HOH W 218 -8, .039 30, .811 22. .996 1. .00 55, .59

4668 0 HOH W 219 14 , .254 50. .557 31. .060 1. .00 36. .74

4669 0 HOH W 220 1, .042 62. .945 82. .081 1. .00 59. .69

4670 0 HOH W 221 -8, .269 38. .610 73. .471 1. .00 83. .96

4671 0 HOH W 222 -17, .503 36, .135 45, .309 1. .00 47. .04

4672 0 HOH W 223 -16, .644 44 , .999 45, .067 1. .00 52. .56

4673 0 HOH W 224 1, .324 66, .921 81, .135 1. .00 51. .68

4674 0 HOH W 225 -25, .677 36, .978 27, .098 1. .00 42. .66

4675 0 HOH W 226 -11, .088 71, .434 75, .564 1. .00 56. .10

4676 0 HOH 227 2, .339 56, .783 51, .522 1. .00 79. .45

4677 0 HOH W 228 -8, .462 50, .280 43, .922 1. .00 46. .28

Claims

What is claimed is:

1. A crystal of hepatitis C virus polymerase having trigonal space group symmetry P3₂21 and having a unit cell defined by the dimensions a, b, c, α, β, and γ, wherein a is about 70 A to about 110 A, b is about 70 A to about 110 A, c is about 170 A to about 210 A, and α=β=90° and γ^l20°.

2. A method for crystallizing a hepatitis C virus polymerase molecule or molecular complex comprising: preparing purified hepatitis C virus polymerase; and crystallizing the hepatitis C virus polymerase from a solution comprising the hepatitis C virus polymerase, 2% to 15% polyethylene glycol, 5% to 20% glycerol, and 5 mM to 15 mM of a salt selected from the group consisting of magnesium chloride, manganese chloride, and combinations thereof.

3. A method of preparing a crystal of hepatitis C virus polymerase complex comprising exposing a crystal of hepatitis C virus polymerase having trigonal space group symmetry P3₂21 to a fluid comprising a potential modifier.

4. A method of identifying the ability for a potential modifier to bind to hepatitis C virus polymerase, the method comprising: exposing a crystal of hepatitis C virus polymerase having trigonal space group symmetry P3₂21 to one or more samples comprising a potential modifier of hepatitis C virus polymerase; and determining whether a potential modifier-hepatitis C virus polymerase molecular complex is formed.

5. A method of acquiring structural information for designing potential modifiers for forming molecular complexes with hepatitis C virus polymerase, the method comprising: exposing a crystal of hepatitis C virus polymerase having trigonal space group symmetry P3₂21 to a library of potential modifiers having diverse shapes; and determining whether a potential modifier-hepatitis C virus polymerase molecular complex is formed.

6. A molecule or molecular complex having trigonal space group symmetry P3₂21 comprising at least a portion of a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site, wherein the binding site comprises the amino acids listed in Table 4 and the binding site is defined by a set of points having a root mean square deviation of less than about 0.65 A from points representing the backbone atoms of said amino acids as represented by the structure coordinates listed in Table 1, Table 2, or Table 3.

7. A molecular complex comprising at least a portion of a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site, wherein the binding site comprises the amino acids listed in Table 4 and the binding site is defined by a set of points having a root mean square deviation of less than about

0.65 A from points representing the backbone atoms of said amino acids as represented by the structure coordinates listed in Table 2 or Table 3.

8. A method for obtaining structural information about a molecular complex of unknown structure comprising: crystallizing the molecular complex; generating an x-ray diffraction pattern from the crystallized molecular complex; and applying to the x-ray diffraction pattern at least a portion of the structure coordinates as set forth in Table 2 or Table 3 for hepatitis C virus polymerase to generate a three-dimensional electron density map of at least a portion of the molecular complex whose structure is unknown.

9. A method for homology modeling a hepatitis C virus polymerase homolog comprising: aligning the amino acid sequence of a hepatitis C virus polymerase homolog with an amino acid sequence of hepatitis C virus polymerase and incorporating the sequence of the hepatitis C virus polymerase homolog into a model of hepatitis C virus polymerase formed from structure coordinates as set forth in Table 1, Table 2, or Table 3 for hepatitis C virus polymerase to yield a preliminary model of the hepatitis C virus polymerase homolog; subjecting the preliminary model to energy minimization to yield an energy minimized model; and remodeling regions of the energy minimized model where stereochemistry restraints are violated to yield a final model of the hepatitis C virus polymerase homolog.

10. A computer-assisted method for identifying a potential modifier of hepatitis C virus polymerase activity comprising: supplying a computer modeling application with a set of structure coordinates of a molecule or molecular having trigonal space group symmetry P3₂21 complex comprising at least a portion of a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site, wherein the binding site comprises the amino acids listed in Table 4 and is defined by a set of points having a root mean square deviation of less than about 0.65 A from points representing the backbone atoms of said amino acids as represented by structure coordinates listed in Table 1, Table 2, or Table 3; supplying the computer modeling application with a set of structure coordinates of a chemical entity; and determining whether the chemical entity is expected to bind to or interfere with the molecule or molecular complex, wherein binding to or interfering with the molecule or molecular complex is indicative of potential modification of hepatitis C virus polymerase activity.

11. A computer-assisted method for designing a potential modifier of hepatitis C virus polymerase activity comprising: supplying a computer modeling application with a set of structure coordinates of a molecule or molecular complex having trigonal space group symmetry P3₂21 comprising at least a portion of a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site, wherein the binding site comprises the amino acids listed in Table 4 and is defined by a set of points having a root mean square deviation of less than about 0.65 A from points representing the backbone atoms of said amino acids as represented by structure coordinates listed in Table 1, Table 2, or Table 3; supplying the computer modeling application with a set of structure coordinates for a chemical entity; evaluating the potential binding interactions between the chemical entity and binding site of the molecule or molecular complex; structurally modifying the chemical entity to yield a set of structure coordinates for a modified chemical entity; and determining whether the modified chemical entity is expected to bind to or interfere with the molecule or molecular complex, wherein binding to or interfering with the molecule or molecular complex is indicative of potential modification of hepatitis C virus polymerase activity.

12. A computer-assisted method for designing a potential modifier of hepatitis C virus polymerase activity de novo comprising: supplying a computer modeling application with a set of structure coordinates of a molecule or molecular complex having trigonal space group symmetry P3₂21 comprising at least a portion of a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site, wherein the binding site comprises the amino acids listed in Table 4 and is defined by a set of points having a root mean square deviation of less than about 0.65 A from points representing the backbone atoms of said amino acids as represented by structure coordinates listed in Table 1, Table 2, or Table 3; forming a chemical entity represented by set of structure coordinates; and determining whether the chemical entity is expected to bind to or interfere with the molecule or molecular complex, wherein binding to or interfering with the molecule or molecular complex is indicative of potential modification of hepatitis C virus polymerase activity.

13. A method for making a potential modifier of hepatitis C virus polymerase activity, the method comprising chemically or enzymatically synthesizing a chemical entity to yield a potential modifier of hepatitis C virus polymerase activity, the chemical entity having been designed during a computer-assisted process comprising: supplying a computer modeling application with a set of structure coordinates of a molecule or molecular complex having trigonal space group symmetry P3₂21 comprising at least a portion of a hepatitis C virus polymerase or hepatitis C virus polymerase-like binding site; supplying the computer modeling application with a set of structure coordinates for a chemical entity; evaluating the potential binding interactions between the chemical entity and a binding site of the molecule or molecular complex; structurally modifying the chemical entity to yield a set of structure coordinates for a modified chemical entity; and determining whether the chemical entity is expected to bind to or interfere with the molecule or molecular complex at the binding site, wherein binding to or interfering with the molecule or molecular complex is indicative of potential modification of hepatitis C virus polymerase activity.

14. A method of using the crystal of claim 1 in a drug screening assay comprising: selecting a potential modifier by performing rational drug design with a three-dimensional structure determined for the crystal, wherein selecting is performed in conjunction with computer modeling; contacting the potential modifier with a binding site of hepatitis C virus polymerase; and detecting an affinity for binding of the potential modifier with the binding site, wherein a potential drug is selected on the basis of its having greater affinity for the binding site of hepatitis C virus polymerase than that of a known modifier for the binding site of hepatitis C virus polymerase.

15. A method of using the crystal of claim 1 in a drug screening assay comprising: selecting a potential modifier by performing rational drug design with a three-dimensional structure determined for the crystal, wherein selecting is performed in conjunction with computer modeling; adding the potential modifier to a binding assay; and detecting a measure of binding, wherein a potential modifier that binds is selected as a potential drug.