FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2025-10-17
All entries: 77277
Number of unique PDB entries: 32023
FMODB ID: 2M74R
Calculation Name: 1GPE-A-Xray547
Preferred Name:
Target Type:
Ligand Name: flavin-adenine dinucleotide | 2-acetamido-2-deoxy-beta-d-glucopyranose | beta-d-mannopyranose | alpha-d-mannopyranose
Ligand 3-letter code: FAD | NAG | BMA | MAN
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1GPE
Chain ID: A
UniProt ID: P81156
Base Structure: X-ray
Registration Date: 2025-10-05
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 586 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -13211204.119226 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12986532.922754 |
| FMO2-HF: Total energy | -224671.196471 |
| FMO2-MP2: Total energy | -225328.469889 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:TYR)
Summations of interaction energy for
fragment #1(A:1:TYR)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -275.606 | -260.318 | 30.072 | -14.827 | -30.533 | -0.067 |
Interaction energy analysis for fragmet #1(A:1:TYR)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 3 | PRO | 0 | -0.012 | 0.018 | 2.485 | -4.991 | 1.250 | 3.948 | -3.061 | -7.127 | 0.021 |
| 4 | A | 4 | ALA | 0 | 0.032 | 0.020 | 3.354 | 3.216 | 2.346 | 0.156 | 1.401 | -0.686 | 0.003 |
| 6 | A | 6 | GLN | 0 | 0.018 | 0.017 | 3.634 | 3.609 | 3.841 | -0.001 | -0.039 | -0.192 | 0.000 |
| 64 | A | 64 | GLY | 0 | 0.039 | 0.028 | 2.669 | 0.201 | 1.015 | 0.813 | -0.681 | -0.946 | 0.005 |
| 65 | A | 65 | ALA | 0 | -0.008 | -0.018 | 2.269 | -2.950 | -1.092 | 2.559 | -0.903 | -3.514 | 0.008 |
| 66 | A | 66 | ILE | 0 | -0.015 | 0.003 | 3.420 | -1.731 | -2.208 | 0.132 | 1.006 | -0.663 | 0.002 |
| 68 | A | 68 | GLU | -1 | -0.796 | -0.899 | 1.720 | -69.454 | -71.192 | 16.769 | -7.783 | -7.248 | -0.073 |
| 69 | A | 69 | ASP | -1 | -0.794 | -0.885 | 2.532 | -78.872 | -74.020 | 3.757 | -2.835 | -5.773 | -0.020 |
| 70 | A | 70 | PRO | 0 | 0.041 | 0.033 | 3.491 | 4.988 | 5.420 | 0.036 | -0.055 | -0.412 | 0.001 |
| 71 | A | 71 | ASN | 0 | -0.085 | -0.068 | 3.894 | 10.560 | 10.712 | -0.001 | -0.026 | -0.126 | 0.000 |
| 182 | A | 182 | ASN | 0 | -0.067 | -0.045 | 3.732 | -7.002 | -6.859 | -0.001 | -0.024 | -0.119 | 0.000 |
| 183 | A | 183 | GLY | 0 | -0.019 | -0.005 | 4.632 | -6.192 | -6.150 | -0.001 | -0.007 | -0.035 | 0.000 |
| 226 | A | 227 | GLN | 0 | -0.060 | -0.034 | 3.272 | -15.265 | -13.486 | 0.051 | -0.719 | -1.111 | -0.006 |
| 227 | A | 228 | VAL | 0 | -0.011 | -0.005 | 2.144 | -11.216 | -9.517 | 1.854 | -1.069 | -2.483 | -0.008 |
| 228 | A | 229 | ARG | 1 | 0.798 | 0.895 | 3.967 | 33.192 | 33.321 | 0.001 | -0.032 | -0.098 | 0.000 |
| 5 | A | 5 | GLN | 0 | -0.027 | -0.023 | 5.430 | 0.708 | 0.708 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | ILE | 0 | 0.000 | 0.000 | 7.942 | 1.458 | 1.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | ASP | -1 | -0.824 | -0.901 | 10.817 | -15.843 | -15.843 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | VAL | 0 | 0.004 | 0.003 | 12.662 | 0.881 | 0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | GLN | 0 | 0.059 | 0.025 | 14.356 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | SER | 0 | -0.052 | -0.057 | 16.235 | 0.888 | 0.888 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | SER | 0 | -0.086 | -0.038 | 18.095 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | LEU | 0 | -0.058 | -0.016 | 17.235 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | LEU | 0 | -0.021 | -0.003 | 20.847 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | SER | 0 | 0.045 | 0.019 | 21.871 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | ASP | -1 | -0.821 | -0.888 | 23.918 | -8.616 | -8.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | PRO | 0 | 0.029 | 0.016 | 27.548 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | SER | 0 | -0.046 | -0.059 | 29.553 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | LYS | 1 | 0.885 | 0.947 | 28.441 | 8.864 | 8.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | VAL | 0 | 0.006 | 0.001 | 28.460 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | ALA | 0 | -0.015 | 0.001 | 31.671 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | GLY | 0 | -0.027 | -0.013 | 34.598 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | LYS | 1 | 0.813 | 0.919 | 30.856 | 8.869 | 8.869 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | THR | 0 | -0.032 | -0.019 | 36.023 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | TYR | 0 | -0.065 | -0.050 | 29.903 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | ASP | -1 | -0.811 | -0.904 | 33.604 | -7.894 | -7.894 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | TYR | 0 | 0.030 | -0.004 | 30.964 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 28 | ILE | 0 | -0.012 | 0.005 | 29.908 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 29 | ILE | 0 | -0.028 | -0.004 | 25.030 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 30 | ALA | 0 | 0.004 | 0.001 | 26.605 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 31 | GLY | 0 | 0.050 | 0.025 | 23.667 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 32 | GLY | 0 | 0.030 | -0.004 | 20.047 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | GLY | 0 | 0.024 | 0.001 | 18.713 | -0.763 | -0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 34 | LEU | 0 | -0.025 | -0.005 | 18.171 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 35 | THR | 0 | 0.029 | -0.002 | 19.278 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | GLY | 0 | 0.065 | 0.039 | 22.700 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | LEU | 0 | 0.008 | -0.003 | 17.107 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | THR | 0 | -0.009 | -0.004 | 20.291 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | VAL | 0 | 0.029 | 0.008 | 21.743 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | ALA | 0 | 0.008 | 0.002 | 22.742 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | ALA | 0 | -0.015 | 0.019 | 21.038 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | LYS | 1 | 0.865 | 0.911 | 23.177 | 11.544 | 11.544 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | LEU | 0 | 0.024 | 0.012 | 26.030 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | THR | 0 | -0.036 | -0.036 | 25.301 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | GLU | -1 | -0.826 | -0.895 | 24.880 | -11.387 | -11.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | ASN | 0 | 0.024 | 0.024 | 27.796 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | PRO | 0 | 0.011 | -0.005 | 30.354 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | LYS | 1 | 0.889 | 0.937 | 31.349 | 8.166 | 8.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | ILE | 0 | -0.011 | 0.022 | 31.533 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | LYS | 1 | 0.838 | 0.915 | 30.620 | 7.941 | 7.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | VAL | 0 | 0.007 | -0.001 | 26.998 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | LEU | 0 | -0.006 | 0.015 | 26.602 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | VAL | 0 | -0.009 | -0.007 | 21.922 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | ILE | 0 | -0.019 | -0.006 | 24.466 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 55 | GLU | -1 | -0.812 | -0.905 | 18.842 | -12.875 | -12.875 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 56 | LYS | 1 | 0.896 | 0.952 | 22.206 | 11.300 | 11.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 57 | GLY | 0 | -0.025 | -0.012 | 18.258 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | PHE | 0 | 0.015 | 0.004 | 15.851 | 0.648 | 0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | TYR | 0 | 0.008 | -0.002 | 9.975 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | GLU | -1 | -0.789 | -0.874 | 10.887 | -16.813 | -16.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | SER | 0 | -0.033 | -0.038 | 8.398 | -0.808 | -0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | ASN | 0 | -0.030 | -0.007 | 5.786 | -3.283 | -3.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | ASP | 0 | -0.054 | -0.055 | 6.377 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | ILE | 0 | 0.002 | 0.013 | 6.145 | 1.333 | 1.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 72 | ALA | 0 | -0.030 | -0.003 | 6.219 | 2.541 | 2.541 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 73 | TYR | 0 | 0.027 | 0.014 | 7.984 | 3.313 | 3.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 74 | GLY | 0 | 0.013 | 0.006 | 10.698 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 75 | GLN | 0 | -0.032 | -0.023 | 8.303 | 1.349 | 1.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 76 | ILE | 0 | 0.036 | 0.031 | 10.768 | 1.044 | 1.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 77 | PHE | 0 | -0.029 | -0.003 | 13.224 | 1.100 | 1.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 78 | GLY | 0 | -0.033 | -0.024 | 16.986 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 79 | THR | 0 | -0.036 | -0.023 | 13.807 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 80 | THR | 0 | 0.018 | -0.005 | 16.118 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | VAL | 0 | 0.058 | 0.048 | 12.398 | 0.616 | 0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | ASP | -1 | -0.738 | -0.845 | 15.672 | -14.371 | -14.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 83 | GLN | 0 | -0.047 | -0.049 | 18.283 | 1.044 | 1.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 84 | ASN | 0 | -0.017 | 0.006 | 21.625 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 85 | TYR | 0 | 0.045 | 0.023 | 23.391 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 86 | LEU | 0 | 0.006 | 0.008 | 26.673 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 87 | THR | 0 | -0.022 | -0.015 | 29.645 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 88 | VAL | 0 | 0.010 | -0.004 | 32.192 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 89 | PRO | 0 | -0.031 | -0.025 | 34.848 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 90 | LEU | 0 | 0.014 | 0.018 | 31.453 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 91 | ILE | 0 | 0.042 | 0.014 | 35.916 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 92 | ASN | 0 | -0.052 | -0.024 | 32.717 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 93 | ASN | 0 | -0.053 | -0.030 | 37.135 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 94 | ARG | 1 | 0.862 | 0.941 | 31.793 | 9.360 | 9.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 95 | THR | 0 | -0.020 | 0.012 | 32.359 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 96 | ASN | 0 | 0.018 | 0.005 | 27.340 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 97 | ASN | 0 | -0.007 | -0.008 | 24.766 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 98 | ILE | 0 | -0.002 | -0.007 | 24.255 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 99 | LYS | 1 | 0.775 | 0.890 | 19.249 | 13.833 | 13.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 100 | ALA | 0 | 0.029 | -0.006 | 20.063 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 101 | GLY | 0 | 0.021 | 0.022 | 16.954 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 102 | LYS | 1 | 0.778 | 0.884 | 17.090 | 13.806 | 13.806 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 103 | GLY | 0 | 0.071 | 0.025 | 15.525 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 104 | LEU | 0 | -0.060 | -0.024 | 15.027 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 105 | GLY | 0 | 0.063 | 0.032 | 13.946 | -1.098 | -1.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 106 | GLY | 0 | 0.019 | 0.025 | 15.494 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 107 | SER | 0 | 0.004 | -0.024 | 15.774 | -0.739 | -0.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 108 | THR | 0 | -0.038 | -0.025 | 13.734 | -0.776 | -0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 109 | LEU | 0 | -0.017 | 0.001 | 10.809 | -1.539 | -1.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 110 | ILE | 0 | -0.003 | 0.008 | 11.178 | -1.076 | -1.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 111 | ASN | 0 | -0.005 | -0.031 | 13.489 | -0.682 | -0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 112 | GLY | 0 | 0.051 | 0.014 | 12.036 | -1.386 | -1.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 113 | ASP | -1 | -0.838 | -0.935 | 9.530 | -29.033 | -29.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 114 | SER | 0 | -0.010 | 0.008 | 12.139 | -0.579 | -0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 115 | TRP | 0 | -0.059 | -0.042 | 15.071 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 116 | THR | 0 | -0.001 | -0.014 | 16.967 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 117 | ARG | 1 | 0.757 | 0.877 | 20.604 | 13.464 | 13.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 118 | PRO | 0 | 0.015 | 0.005 | 24.047 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 119 | ASP | -1 | -0.745 | -0.868 | 27.321 | -9.900 | -9.900 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 120 | LYS | 1 | 0.837 | 0.900 | 30.459 | 8.951 | 8.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 121 | VAL | 0 | 0.029 | 0.005 | 32.989 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 122 | GLN | 0 | 0.014 | 0.016 | 30.194 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 123 | ILE | 0 | -0.001 | 0.012 | 29.330 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 124 | ASP | -1 | -0.757 | -0.871 | 33.040 | -8.583 | -8.583 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | SER | 0 | -0.041 | -0.021 | 35.998 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | TRP | 0 | 0.010 | -0.013 | 29.182 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 127 | GLU | -1 | -0.763 | -0.851 | 36.789 | -7.796 | -7.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 128 | LYS | 1 | 0.798 | 0.868 | 39.297 | 7.928 | 7.928 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 129 | VAL | 0 | -0.032 | 0.001 | 40.530 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 130 | PHE | 0 | 0.002 | -0.014 | 37.755 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 131 | GLY | 0 | 0.048 | 0.031 | 40.875 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 132 | MET | 0 | -0.113 | -0.027 | 37.416 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | GLU | -1 | -0.894 | -0.961 | 38.550 | -7.467 | -7.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | GLY | 0 | 0.003 | -0.009 | 37.565 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 135 | TRP | 0 | -0.068 | -0.053 | 30.116 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 136 | ASN | 0 | -0.006 | -0.003 | 35.255 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 137 | TRP | 0 | 0.030 | 0.011 | 27.162 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 138 | ASP | -1 | -0.847 | -0.926 | 31.656 | -9.221 | -9.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 139 | ASN | 0 | -0.046 | -0.030 | 32.408 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 140 | MET | 0 | -0.012 | 0.000 | 28.472 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 141 | PHE | 0 | -0.014 | -0.002 | 27.253 | -0.577 | -0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 142 | GLU | -1 | -0.861 | -0.947 | 27.056 | -11.084 | -11.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 143 | TYR | 0 | -0.112 | -0.072 | 27.044 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 144 | MET | 0 | -0.058 | -0.020 | 23.593 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 145 | LYS | 1 | 0.838 | 0.936 | 22.405 | 10.598 | 10.598 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 146 | LYS | 1 | 0.907 | 0.954 | 23.081 | 10.394 | 10.394 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 147 | ALA | 0 | 0.002 | 0.011 | 20.534 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 148 | GLU | -1 | -0.753 | -0.855 | 17.956 | -15.922 | -15.922 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 149 | ALA | 0 | -0.011 | -0.001 | 16.411 | 0.814 | 0.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 150 | ALA | 0 | -0.015 | -0.001 | 15.652 | -1.313 | -1.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 151 | ARG | 1 | 0.796 | 0.876 | 9.417 | 29.073 | 29.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 152 | THR | 0 | -0.003 | 0.000 | 16.091 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 153 | PRO | 0 | -0.013 | -0.004 | 14.898 | -1.034 | -1.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 154 | THR | 0 | 0.008 | -0.007 | 12.645 | 1.555 | 1.555 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 155 | ALA | 0 | 0.028 | 0.001 | 15.656 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 156 | ALA | 0 | 0.005 | 0.007 | 14.084 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 157 | GLN | 0 | 0.023 | 0.019 | 10.666 | 1.896 | 1.896 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 158 | LEU | 0 | 0.024 | 0.003 | 15.073 | 0.659 | 0.659 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 159 | ALA | 0 | -0.054 | -0.023 | 18.628 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 160 | ALA | 0 | 0.017 | 0.006 | 15.874 | 0.739 | 0.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 161 | GLY | 0 | 0.010 | -0.014 | 17.794 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 162 | HIS | 0 | -0.002 | -0.004 | 13.170 | 1.195 | 1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 163 | SER | 0 | -0.046 | -0.036 | 18.376 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 164 | PHE | 0 | 0.022 | 0.000 | 18.665 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 165 | ASN | 0 | 0.032 | 0.020 | 22.157 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 166 | ALA | 0 | 0.025 | -0.003 | 24.217 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 167 | THR | 0 | -0.024 | -0.018 | 25.253 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 168 | CYS | 0 | -0.102 | -0.051 | 23.943 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 169 | HIS | 1 | 0.822 | 0.903 | 20.074 | 14.811 | 14.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 170 | GLY | 0 | 0.036 | 0.026 | 21.692 | 0.604 | 0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 171 | THR | 0 | -0.035 | -0.030 | 20.141 | -0.602 | -0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 172 | ASN | 0 | -0.032 | -0.023 | 20.522 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 173 | GLY | 0 | 0.025 | 0.026 | 20.527 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 174 | THR | 0 | -0.034 | -0.024 | 16.541 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 175 | VAL | 0 | -0.037 | -0.011 | 14.290 | -1.049 | -1.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 176 | GLN | 0 | -0.031 | -0.016 | 11.608 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 177 | SER | 0 | 0.010 | -0.001 | 12.602 | -0.663 | -0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 178 | GLY | 0 | 0.027 | 0.006 | 13.116 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 179 | ALA | 0 | -0.007 | 0.005 | 12.124 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 180 | ARG | 1 | 0.894 | 0.952 | 7.429 | 28.721 | 28.721 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 181 | ASP | -1 | -0.837 | -0.914 | 6.836 | -30.486 | -30.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 184 | GLN | 0 | -0.096 | -0.055 | 6.510 | 6.475 | 6.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 185 | PRO | 0 | -0.017 | -0.014 | 9.459 | 0.762 | 0.762 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 186 | TRP | 0 | -0.001 | 0.003 | 10.413 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 187 | SER | 0 | 0.004 | 0.006 | 14.032 | 1.559 | 1.559 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 188 | PRO | 0 | -0.015 | -0.006 | 16.493 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 189 | ILE | 0 | 0.020 | 0.004 | 18.982 | 0.782 | 0.782 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | MET | 0 | -0.012 | 0.015 | 15.151 | 0.567 | 0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | LYS | 1 | 0.903 | 0.949 | 19.832 | 14.905 | 14.905 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | ALA | 0 | -0.017 | -0.001 | 22.444 | 0.717 | 0.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 193 | LEU | 0 | 0.050 | 0.025 | 22.656 | 0.686 | 0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 194 | MET | 0 | -0.051 | -0.006 | 20.634 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 195 | ASN | 0 | 0.005 | 0.009 | 25.887 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 196 | THR | 0 | -0.046 | -0.032 | 27.848 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 197 | VAL | 0 | 0.044 | 0.012 | 27.726 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 198 | SER | 0 | -0.039 | -0.024 | 29.660 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 199 | ALA | 0 | -0.055 | -0.021 | 31.630 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 200 | LEU | 0 | -0.057 | -0.024 | 32.830 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 201 | GLY | 0 | -0.027 | -0.008 | 34.932 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 202 | VAL | 0 | -0.028 | 0.001 | 29.916 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 203 | PRO | 0 | 0.005 | -0.002 | 29.668 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 204 | VAL | 0 | 0.032 | 0.010 | 26.249 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 205 | GLN | 0 | 0.009 | -0.004 | 22.870 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 206 | GLN | 0 | -0.021 | 0.017 | 24.547 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 207 | ASP | -1 | -0.720 | -0.829 | 22.800 | -14.747 | -14.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 208 | PHE | 0 | 0.023 | -0.003 | 21.411 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 209 | LEU | 0 | -0.022 | -0.004 | 19.729 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 211 | GLY | 0 | 0.059 | 0.039 | 27.495 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 212 | HIS | 1 | 0.749 | 0.853 | 29.046 | 10.071 | 10.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 213 | PRO | 0 | -0.042 | 0.003 | 25.642 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 214 | ARG | 1 | 0.744 | 0.814 | 27.200 | 10.139 | 10.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 215 | GLY | 0 | 0.009 | 0.010 | 27.685 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 216 | VAL | 0 | -0.011 | -0.007 | 22.970 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 217 | SER | 0 | -0.018 | -0.029 | 21.395 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 218 | MET | 0 | -0.047 | 0.010 | 14.187 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 219 | ILE | 0 | -0.003 | 0.011 | 15.201 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 220 | MET | 0 | -0.033 | -0.003 | 14.635 | -1.436 | -1.436 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 221 | ASN | 0 | 0.031 | 0.004 | 10.671 | -1.470 | -1.470 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 222 | ASN | 0 | 0.009 | -0.004 | 11.476 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 223 | LEU | 0 | 0.021 | 0.021 | 6.505 | -1.218 | -1.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 224 | ASP | -1 | -0.731 | -0.848 | 6.219 | -36.475 | -36.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 225 | GLU | -1 | -0.887 | -0.954 | 8.074 | -29.699 | -29.699 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 226 | ASN | 0 | -0.118 | -0.054 | 5.284 | -1.305 | -1.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 230 | VAL | 0 | -0.030 | -0.009 | 7.057 | 0.899 | 0.899 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 231 | ASP | -1 | -0.778 | -0.865 | 9.334 | -21.099 | -21.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 232 | ALA | 0 | -0.005 | -0.013 | 11.591 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 233 | ALA | 0 | 0.005 | 0.005 | 13.024 | 1.003 | 1.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 234 | ARG | 1 | 0.853 | 0.915 | 5.818 | 30.562 | 30.562 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 235 | ALA | 0 | -0.012 | 0.001 | 11.381 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 236 | TRP | 0 | 0.013 | -0.008 | 14.127 | 0.895 | 0.895 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 237 | LEU | 0 | 0.003 | 0.014 | 15.758 | 0.837 | 0.837 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 238 | LEU | 0 | 0.000 | 0.007 | 10.396 | 0.611 | 0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 239 | PRO | 0 | -0.012 | -0.009 | 14.533 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 240 | ASN | 0 | -0.049 | -0.043 | 17.172 | 1.071 | 1.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 241 | TYR | 0 | 0.024 | 0.002 | 15.958 | 0.537 | 0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 242 | GLN | 0 | -0.022 | -0.002 | 19.553 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 243 | ARG | 1 | 0.804 | 0.908 | 22.026 | 12.227 | 12.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 244 | SER | 0 | 0.008 | -0.002 | 24.851 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 245 | ASN | 0 | -0.096 | -0.040 | 27.676 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 246 | LEU | 0 | 0.009 | 0.000 | 21.519 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 247 | GLU | -1 | -0.789 | -0.858 | 24.122 | -9.379 | -9.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 248 | ILE | 0 | 0.025 | 0.008 | 19.720 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 249 | LEU | 0 | -0.044 | -0.010 | 22.897 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 250 | THR | 0 | -0.016 | -0.013 | 18.562 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 251 | GLY | 0 | 0.022 | 0.008 | 21.148 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 252 | GLN | 0 | -0.066 | -0.039 | 22.531 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 253 | MET | 0 | -0.021 | 0.005 | 25.217 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 254 | VAL | 0 | 0.033 | 0.010 | 27.468 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 255 | GLY | 0 | 0.015 | -0.003 | 30.117 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 256 | LYS | 1 | 0.888 | 0.933 | 33.056 | 7.449 | 7.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 257 | VAL | 0 | 0.030 | 0.014 | 34.730 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 258 | LEU | 0 | -0.061 | -0.015 | 36.653 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 259 | PHE | 0 | 0.059 | 0.002 | 39.522 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 260 | LYS | 1 | 0.920 | 0.988 | 42.568 | 6.586 | 6.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 261 | GLN | 0 | 0.034 | 0.004 | 45.914 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 262 | THR | 0 | -0.045 | -0.033 | 47.214 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 263 | ALA | 0 | 0.025 | 0.002 | 49.959 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 264 | SER | 0 | -0.039 | -0.012 | 48.273 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 265 | GLY | 0 | 0.063 | 0.044 | 47.656 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 266 | PRO | 0 | 0.003 | 0.015 | 43.818 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 267 | GLN | 0 | 0.014 | -0.003 | 42.586 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 268 | ALA | 0 | -0.009 | 0.005 | 38.008 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 269 | VAL | 0 | -0.020 | -0.025 | 39.820 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 270 | GLY | 0 | 0.052 | 0.021 | 36.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 271 | VAL | 0 | -0.038 | -0.001 | 31.412 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 272 | ASN | 0 | 0.015 | 0.012 | 34.852 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 273 | PHE | 0 | -0.001 | -0.022 | 29.367 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 274 | GLY | 0 | 0.047 | 0.020 | 30.276 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 275 | THR | 0 | 0.014 | 0.001 | 27.425 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 276 | ASN | 0 | -0.010 | -0.010 | 30.139 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 277 | LYS | 1 | 1.010 | 1.025 | 33.764 | 7.428 | 7.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 278 | ALA | 0 | -0.042 | -0.023 | 37.105 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 279 | VAL | 0 | -0.039 | -0.021 | 32.391 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 280 | ASN | 0 | -0.050 | -0.020 | 33.105 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 281 | PHE | 0 | 0.016 | 0.006 | 32.083 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 282 | ASP | -1 | -0.816 | -0.889 | 34.929 | -7.502 | -7.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 283 | VAL | 0 | -0.034 | -0.013 | 31.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 284 | PHE | 0 | 0.014 | -0.002 | 35.132 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 285 | ALA | 0 | -0.021 | -0.015 | 34.747 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 286 | LYS | 1 | 0.898 | 0.956 | 36.429 | 7.465 | 7.465 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 287 | HIS | 0 | -0.044 | -0.017 | 36.306 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 288 | GLU | -1 | -0.804 | -0.883 | 34.815 | -8.129 | -8.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 289 | VAL | 0 | -0.029 | -0.006 | 32.847 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 290 | LEU | 0 | -0.001 | -0.004 | 29.739 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 291 | LEU | 0 | -0.012 | -0.013 | 29.359 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 292 | ALA | 0 | 0.018 | 0.000 | 24.894 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 293 | ALA | 0 | 0.001 | 0.006 | 24.353 | -0.528 | -0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 294 | GLY | 0 | -0.027 | -0.011 | 25.068 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 295 | SER | 0 | -0.024 | -0.026 | 25.830 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 296 | ALA | 0 | 0.027 | 0.010 | 27.018 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 297 | ILE | 0 | -0.027 | -0.014 | 26.479 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 298 | SER | 0 | -0.008 | -0.030 | 28.477 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 299 | PRO | 0 | 0.032 | 0.002 | 30.689 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 300 | LEU | 0 | -0.005 | 0.016 | 31.313 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 301 | ILE | 0 | 0.009 | 0.013 | 29.415 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 302 | LEU | 0 | -0.011 | 0.020 | 33.896 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 303 | GLU | -1 | -0.717 | -0.831 | 36.853 | -7.678 | -7.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 304 | TYR | 0 | 0.032 | 0.012 | 33.544 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 305 | SER | 0 | -0.076 | -0.062 | 37.135 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 306 | GLY | 0 | 0.008 | 0.015 | 39.716 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 307 | ILE | 0 | -0.028 | -0.016 | 39.760 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 308 | GLY | 0 | 0.044 | 0.005 | 40.213 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 309 | LEU | 0 | -0.004 | 0.007 | 42.178 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 310 | LYS | 1 | 0.902 | 0.922 | 44.774 | 5.998 | 5.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 311 | SER | 0 | -0.015 | -0.005 | 46.260 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 312 | VAL | 0 | 0.012 | 0.011 | 40.602 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 313 | LEU | 0 | -0.013 | 0.007 | 41.734 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 314 | ASP | -1 | -0.842 | -0.901 | 44.570 | -6.091 | -6.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 315 | GLN | 0 | -0.077 | -0.048 | 45.057 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 316 | ALA | 0 | -0.018 | 0.014 | 41.556 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 317 | ASN | 0 | -0.054 | -0.034 | 43.456 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 318 | VAL | 0 | -0.027 | -0.012 | 41.203 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 319 | THR | 0 | -0.048 | -0.023 | 44.642 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 320 | GLN | 0 | -0.064 | -0.037 | 45.638 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 321 | LEU | 0 | -0.052 | -0.014 | 42.945 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 322 | LEU | 0 | -0.040 | -0.034 | 43.372 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 323 | ASP | -1 | -0.819 | -0.899 | 44.687 | -6.739 | -6.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 324 | LEU | 0 | 0.001 | -0.011 | 41.039 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 325 | PRO | 0 | 0.000 | 0.014 | 41.335 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 326 | VAL | 0 | 0.002 | -0.005 | 36.755 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 327 | GLY | 0 | 0.044 | 0.017 | 35.922 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 328 | ILE | 0 | -0.107 | -0.037 | 37.004 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 329 | ASN | 0 | 0.029 | 0.007 | 37.111 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 330 | MET | 0 | -0.029 | 0.008 | 32.002 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 331 | GLN | 0 | 0.071 | 0.055 | 32.099 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 332 | ASP | -1 | -0.779 | -0.873 | 26.485 | -12.020 | -12.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 333 | GLN | 0 | -0.028 | -0.002 | 25.791 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 334 | THR | 0 | -0.041 | -0.018 | 27.707 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 335 | THR | 0 | 0.002 | -0.006 | 22.552 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 336 | THR | 0 | -0.033 | -0.007 | 25.974 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 337 | THR | 0 | -0.015 | -0.029 | 22.033 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 338 | VAL | 0 | -0.064 | -0.019 | 24.650 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 339 | SER | 0 | -0.011 | -0.026 | 21.532 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 340 | SER | 0 | 0.016 | 0.011 | 23.531 | 0.859 | 0.859 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 341 | ARG | 1 | 0.888 | 0.946 | 22.631 | 11.190 | 11.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 342 | ALA | 0 | 0.050 | 0.043 | 20.419 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 343 | SER | 0 | -0.031 | -0.032 | 22.420 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 344 | SER | 0 | 0.001 | -0.015 | 21.519 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 345 | ALA | 0 | 0.005 | 0.006 | 20.893 | -0.643 | -0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 346 | GLY | 0 | 0.039 | 0.013 | 20.614 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 347 | ALA | 0 | -0.037 | -0.007 | 16.970 | -0.719 | -0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 348 | GLY | 0 | 0.022 | 0.013 | 13.373 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 349 | GLN | 0 | -0.017 | -0.009 | 8.366 | -1.091 | -1.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 350 | GLY | 0 | 0.042 | -0.006 | 11.525 | 1.557 | 1.557 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 351 | GLN | 0 | -0.036 | -0.019 | 12.274 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 352 | ALA | 0 | -0.042 | -0.031 | 14.821 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 353 | VAL | 0 | 0.011 | 0.024 | 18.348 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 354 | PHE | 0 | -0.002 | -0.009 | 21.082 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 355 | PHE | 0 | 0.026 | 0.015 | 22.723 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 356 | ALA | 0 | 0.060 | 0.038 | 26.821 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 357 | ASN | 0 | 0.021 | 0.001 | 30.090 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 358 | PHE | 0 | 0.064 | 0.025 | 33.372 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 359 | THR | 0 | -0.007 | -0.017 | 36.206 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 360 | GLU | -1 | -0.791 | -0.870 | 32.033 | -9.837 | -9.837 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 361 | THR | 0 | -0.039 | -0.023 | 32.275 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 362 | PHE | 0 | 0.011 | -0.003 | 33.923 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 363 | GLY | 0 | 0.020 | 0.024 | 37.507 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 364 | ASP | -1 | -0.936 | -0.977 | 38.793 | -7.514 | -7.514 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 365 | TYR | 0 | -0.043 | -0.031 | 40.567 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 366 | ALA | 0 | 0.015 | 0.009 | 40.291 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 367 | PRO | 0 | -0.021 | -0.017 | 41.839 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 368 | GLN | 0 | 0.081 | 0.044 | 44.679 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 369 | ALA | 0 | 0.002 | 0.007 | 40.635 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 370 | ARG | 1 | 0.928 | 0.973 | 42.517 | 7.334 | 7.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 371 | ASP | -1 | -0.901 | -0.953 | 44.465 | -6.485 | -6.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 372 | LEU | 0 | -0.040 | -0.004 | 43.354 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 373 | LEU | 0 | 0.020 | 0.020 | 40.081 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 374 | ASN | 0 | -0.028 | -0.024 | 44.452 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 375 | THR | 0 | -0.087 | -0.056 | 47.984 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 376 | LYS | 1 | 0.867 | 0.930 | 45.960 | 6.819 | 6.819 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 377 | LEU | 0 | -0.008 | 0.010 | 43.615 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 378 | ASP | -1 | -0.818 | -0.892 | 46.465 | -6.381 | -6.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 379 | GLN | 0 | 0.049 | 0.013 | 48.589 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 380 | TRP | 0 | -0.011 | -0.032 | 42.087 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 381 | ALA | 0 | 0.005 | 0.026 | 44.703 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 382 | GLU | -1 | -0.941 | -0.987 | 45.985 | -6.143 | -6.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 383 | GLU | -1 | -0.885 | -0.944 | 46.142 | -6.763 | -6.763 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 384 | THR | 0 | -0.054 | -0.046 | 40.910 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 385 | VAL | 0 | -0.056 | -0.015 | 43.570 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 386 | ALA | 0 | -0.017 | 0.001 | 45.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 387 | ARG | 1 | 0.865 | 0.951 | 41.424 | 7.364 | 7.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 388 | GLY | 0 | 0.009 | -0.002 | 42.992 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 389 | GLY | 0 | 0.017 | 0.006 | 40.115 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 390 | PHE | 0 | -0.017 | -0.030 | 40.165 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 391 | HIS | 0 | 0.050 | 0.027 | 42.811 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 392 | ASN | 0 | -0.008 | 0.005 | 45.709 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 393 | VAL | 0 | 0.096 | 0.038 | 46.406 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 394 | THR | 0 | 0.017 | 0.005 | 47.344 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 395 | ALA | 0 | 0.004 | 0.010 | 44.830 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 396 | LEU | 0 | -0.032 | -0.003 | 40.746 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 397 | LYS | 1 | 0.844 | 0.915 | 43.000 | 6.244 | 6.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 398 | VAL | 0 | 0.026 | 0.016 | 43.307 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 399 | GLN | 0 | 0.001 | -0.003 | 38.516 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 400 | TYR | 0 | -0.015 | -0.027 | 39.896 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 401 | GLU | -1 | -0.900 | -0.962 | 41.669 | -6.736 | -6.736 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 402 | ASN | 0 | -0.010 | -0.006 | 37.659 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 403 | TYR | 0 | -0.022 | -0.039 | 34.427 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 404 | ARG | 1 | 0.907 | 0.953 | 38.484 | 6.825 | 6.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 405 | ASN | 0 | 0.025 | 0.013 | 40.959 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 406 | TRP | 0 | -0.002 | -0.014 | 33.252 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 407 | LEU | 0 | -0.032 | -0.009 | 34.808 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 408 | LEU | 0 | -0.089 | -0.043 | 37.824 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 409 | ASP | -1 | -0.910 | -0.960 | 40.897 | -7.205 | -7.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 410 | GLU | -1 | -0.947 | -0.970 | 37.637 | -8.008 | -8.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 411 | ASP | -1 | -0.817 | -0.874 | 34.712 | -9.564 | -9.564 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 412 | VAL | 0 | 0.014 | 0.006 | 32.032 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 413 | ALA | 0 | -0.026 | -0.012 | 28.877 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 414 | PHE | 0 | -0.021 | 0.002 | 30.715 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 415 | ALA | 0 | 0.044 | 0.014 | 29.094 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 416 | GLU | -1 | -0.768 | -0.888 | 21.144 | -14.503 | -14.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 417 | LEU | 0 | -0.041 | -0.021 | 24.382 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 418 | PHE | 0 | -0.035 | -0.011 | 14.734 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 419 | MET | 0 | -0.035 | -0.006 | 19.054 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 420 | ASP | -1 | -0.799 | -0.900 | 13.949 | -21.895 | -21.895 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 421 | THR | 0 | -0.014 | -0.034 | 14.664 | 0.871 | 0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 422 | GLU | -1 | -0.784 | -0.879 | 10.081 | -29.059 | -29.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 423 | GLY | 0 | -0.024 | -0.005 | 13.860 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 424 | LYS | 1 | 0.858 | 0.920 | 17.225 | 17.150 | 17.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 425 | ILE | 0 | 0.045 | 0.021 | 19.087 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 426 | ASN | 0 | -0.022 | 0.005 | 18.549 | 1.074 | 1.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 427 | PHE | 0 | 0.034 | 0.020 | 19.868 | -0.643 | -0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 428 | ASP | -1 | -0.768 | -0.848 | 19.653 | -14.558 | -14.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 429 | LEU | 0 | -0.047 | -0.026 | 21.769 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 430 | TRP | 0 | 0.015 | -0.002 | 19.677 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 431 | ASP | -1 | -0.836 | -0.915 | 26.814 | -9.608 | -9.608 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 432 | LEU | 0 | -0.062 | -0.035 | 25.409 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 433 | ILE | 0 | -0.072 | -0.025 | 29.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 434 | PRO | 0 | 0.018 | 0.030 | 31.443 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 435 | PHE | 0 | 0.046 | -0.007 | 34.347 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 436 | THR | 0 | -0.089 | -0.048 | 35.269 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 437 | ARG | 1 | 0.760 | 0.871 | 36.641 | 8.362 | 8.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 438 | GLY | 0 | 0.025 | 0.015 | 35.247 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 439 | SER | 0 | -0.053 | -0.039 | 36.301 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 440 | VAL | 0 | -0.066 | -0.039 | 31.855 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 441 | HIS | 1 | 0.806 | 0.893 | 35.178 | 7.894 | 7.894 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 442 | ILE | 0 | 0.015 | 0.011 | 35.910 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 443 | LEU | 0 | -0.047 | -0.032 | 37.779 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 444 | SER | 0 | -0.040 | -0.032 | 39.369 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 445 | SER | 0 | 0.060 | 0.020 | 39.565 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 446 | ASP | -1 | -0.885 | -0.953 | 36.594 | -7.846 | -7.846 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 447 | PRO | 0 | -0.003 | -0.002 | 34.004 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 448 | TYR | 0 | -0.073 | -0.044 | 31.102 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 449 | LEU | 0 | -0.061 | -0.016 | 32.138 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 450 | TRP | 0 | -0.021 | -0.021 | 29.548 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 451 | GLN | 0 | 0.021 | 0.038 | 32.588 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 452 | PHE | 0 | 0.008 | -0.006 | 29.124 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 453 | ALA | 0 | 0.006 | 0.011 | 34.978 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 454 | ASN | 0 | 0.004 | -0.004 | 30.407 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 455 | ASP | -1 | -0.782 | -0.890 | 33.635 | -8.375 | -8.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 456 | PRO | 0 | 0.001 | -0.008 | 30.794 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 457 | LYS | 1 | 0.834 | 0.927 | 33.621 | 7.854 | 7.854 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 458 | PHE | 0 | 0.023 | 0.019 | 28.917 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 459 | PHE | 0 | -0.008 | -0.010 | 31.946 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 460 | LEU | 0 | -0.011 | 0.004 | 36.966 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 461 | ASN | 0 | -0.006 | 0.011 | 38.724 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 462 | GLU | -1 | -0.784 | -0.882 | 39.091 | -7.179 | -7.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 463 | PHE | 0 | 0.004 | 0.004 | 37.110 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 464 | ASP | -1 | -0.708 | -0.851 | 34.677 | -8.803 | -8.803 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 465 | LEU | 0 | -0.056 | -0.020 | 34.702 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 466 | LEU | 0 | -0.001 | -0.005 | 36.163 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 467 | GLY | 0 | 0.035 | 0.018 | 34.924 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 468 | GLN | 0 | 0.029 | -0.001 | 27.699 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 469 | ALA | 0 | -0.028 | 0.003 | 32.014 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 470 | ALA | 0 | -0.022 | -0.012 | 34.242 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 471 | ALA | 0 | 0.062 | 0.031 | 29.555 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 472 | SER | 0 | -0.024 | -0.036 | 29.568 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 473 | LYS | 1 | 0.826 | 0.902 | 30.640 | 8.542 | 8.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 474 | LEU | 0 | 0.036 | 0.026 | 30.134 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 475 | ALA | 0 | 0.039 | 0.017 | 26.710 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 476 | ARG | 1 | 0.748 | 0.855 | 28.101 | 9.303 | 9.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 477 | ASP | -1 | -0.847 | -0.921 | 30.400 | -9.064 | -9.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 478 | LEU | 0 | -0.021 | -0.009 | 27.931 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 479 | THR | 0 | -0.018 | -0.019 | 26.172 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 480 | SER | 0 | -0.036 | -0.015 | 27.911 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 481 | GLN | 0 | -0.056 | -0.048 | 30.367 | 0.553 | 0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 482 | GLY | 0 | 0.017 | -0.001 | 30.220 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 483 | ALA | 0 | -0.003 | -0.004 | 27.634 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 484 | MET | 0 | -0.012 | 0.019 | 23.123 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 485 | LYS | 1 | 0.913 | 0.964 | 26.730 | 8.962 | 8.962 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 486 | GLU | -1 | -0.895 | -0.917 | 26.713 | -11.512 | -11.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 487 | TYR | 0 | -0.051 | -0.055 | 22.973 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 488 | PHE | 0 | 0.014 | 0.025 | 24.474 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 489 | ALA | 0 | -0.016 | -0.006 | 25.548 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 490 | GLY | 0 | -0.003 | 0.006 | 27.448 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 491 | GLU | -1 | -0.721 | -0.819 | 27.299 | -10.671 | -10.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 492 | THR | 0 | -0.161 | -0.104 | 25.045 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 493 | LEU | 0 | 0.005 | 0.015 | 24.859 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 494 | PRO | 0 | 0.086 | 0.038 | 27.624 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 495 | GLY | 0 | 0.002 | 0.013 | 30.599 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 496 | TYR | 0 | -0.036 | -0.046 | 31.381 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 497 | ASN | 0 | -0.067 | -0.024 | 31.011 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 498 | LEU | 0 | 0.025 | 0.018 | 34.298 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 499 | VAL | 0 | 0.003 | 0.018 | 35.597 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 500 | GLN | 0 | 0.000 | -0.024 | 32.833 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 501 | ASN | 0 | -0.014 | -0.012 | 36.666 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 502 | ALA | 0 | -0.033 | 0.006 | 37.288 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 503 | THR | 0 | 0.025 | -0.015 | 38.974 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 504 | LEU | 0 | 0.053 | 0.026 | 37.591 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 505 | SER | 0 | 0.039 | 0.036 | 39.280 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 506 | GLN | 0 | 0.048 | 0.036 | 39.911 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 507 | TRP | 0 | 0.040 | 0.011 | 31.089 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 508 | SER | 0 | 0.011 | -0.004 | 35.530 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 509 | ASP | -1 | -0.913 | -0.954 | 37.016 | -7.767 | -7.767 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 510 | TYR | 0 | -0.014 | -0.017 | 29.201 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 511 | VAL | 0 | 0.019 | 0.005 | 31.619 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 512 | LEU | 0 | 0.014 | 0.016 | 32.685 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 513 | GLN | 0 | 0.015 | -0.004 | 34.518 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 514 | ASN | 0 | -0.095 | -0.042 | 29.959 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 515 | PHE | 0 | -0.015 | 0.004 | 28.217 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 516 | ARG | 1 | 0.825 | 0.913 | 20.170 | 14.280 | 14.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 517 | PRO | 0 | 0.025 | 0.009 | 25.641 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 518 | ASN | 0 | 0.046 | 0.025 | 22.476 | -0.887 | -0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 519 | TRP | 0 | -0.083 | -0.041 | 18.873 | -0.838 | -0.838 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 520 | HIS | 0 | -0.054 | -0.030 | 19.574 | -0.718 | -0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 521 | ALA | 0 | -0.003 | -0.001 | 24.356 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 522 | VAL | 0 | 0.003 | 0.020 | 27.272 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 523 | SER | 0 | -0.010 | -0.021 | 29.562 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 524 | SER | 0 | -0.015 | -0.007 | 31.377 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 525 | CYS | 0 | -0.051 | -0.040 | 33.261 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 526 | SER | 0 | 0.020 | 0.009 | 34.879 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 527 | MET | 0 | -0.017 | 0.005 | 32.725 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 528 | MET | 0 | 0.007 | -0.005 | 36.255 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 529 | SER | 0 | 0.024 | 0.016 | 39.611 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 530 | ARG | 1 | 0.963 | 0.990 | 43.270 | 6.672 | 6.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 531 | GLU | -1 | -0.893 | -0.933 | 44.715 | -6.653 | -6.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 532 | LEU | 0 | -0.026 | -0.016 | 43.002 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 533 | GLY | 0 | -0.006 | -0.013 | 43.212 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 534 | GLY | 0 | -0.032 | -0.009 | 39.862 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 535 | VAL | 0 | -0.070 | -0.041 | 37.354 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 536 | VAL | 0 | -0.024 | -0.016 | 34.499 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 537 | ASP | -1 | -0.736 | -0.847 | 37.946 | -7.797 | -7.797 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 538 | ALA | 0 | 0.045 | 0.017 | 37.049 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 539 | THR | 0 | -0.091 | -0.050 | 35.929 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 540 | ALA | 0 | 0.048 | 0.012 | 32.979 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 541 | LYS | 1 | 0.844 | 0.918 | 34.945 | 7.565 | 7.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 542 | VAL | 0 | 0.014 | 0.012 | 36.507 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 543 | TYR | 0 | 0.015 | -0.014 | 38.965 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 544 | GLY | 0 | -0.047 | -0.036 | 42.484 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 545 | THR | 0 | -0.046 | -0.025 | 40.849 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 546 | GLN | 0 | -0.015 | -0.018 | 42.569 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 547 | GLY | 0 | 0.056 | 0.023 | 39.144 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 548 | LEU | 0 | 0.012 | 0.008 | 35.058 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 549 | ARG | 1 | 0.720 | 0.816 | 32.969 | 8.495 | 8.495 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 550 | VAL | 0 | -0.017 | 0.008 | 30.572 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 551 | ILE | 0 | 0.042 | 0.011 | 26.490 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 552 | ASP | -1 | -0.731 | -0.795 | 25.374 | -11.015 | -11.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 553 | GLY | 0 | 0.054 | 0.010 | 25.518 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 554 | SER | 0 | -0.018 | -0.058 | 26.783 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 555 | ILE | 0 | -0.026 | -0.003 | 29.940 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 556 | PRO | 0 | 0.035 | 0.025 | 28.187 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 557 | PRO | 0 | -0.031 | 0.020 | 31.461 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 558 | THR | 0 | -0.021 | -0.009 | 32.386 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 559 | GLN | 0 | -0.005 | -0.007 | 27.294 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 560 | VAL | 0 | -0.048 | -0.023 | 26.123 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 561 | SER | 0 | 0.012 | -0.012 | 27.378 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 562 | SER | 0 | -0.023 | -0.016 | 22.729 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 563 | HIS | 0 | 0.000 | -0.009 | 18.795 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 564 | VAL | 0 | 0.036 | 0.020 | 20.940 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 565 | MET | 0 | -0.027 | 0.026 | 14.360 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 566 | THR | 0 | 0.005 | -0.009 | 19.518 | 0.518 | 0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 567 | ILE | 0 | 0.076 | 0.022 | 21.172 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 568 | PHE | 0 | 0.007 | 0.002 | 22.038 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 569 | TYR | 0 | 0.067 | 0.014 | 15.182 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 570 | GLY | 0 | 0.009 | 0.002 | 22.179 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 571 | MET | 0 | -0.037 | -0.013 | 25.358 | 0.487 | 0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 572 | ALA | 0 | -0.002 | -0.006 | 23.773 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 573 | LEU | 0 | -0.031 | -0.010 | 23.511 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 574 | LYS | 1 | 0.941 | 0.988 | 26.665 | 9.274 | 9.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 575 | VAL | 0 | -0.009 | -0.012 | 29.028 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 576 | ALA | 0 | -0.001 | -0.006 | 27.460 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 577 | ASP | -1 | -0.832 | -0.890 | 29.594 | -9.696 | -9.696 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 578 | ALA | 0 | 0.012 | 0.000 | 32.063 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 579 | ILE | 0 | -0.035 | -0.003 | 30.631 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 580 | LEU | 0 | -0.025 | -0.020 | 30.333 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 581 | ASP | -1 | -0.904 | -0.949 | 34.484 | -7.897 | -7.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 582 | ASP | -1 | -0.844 | -0.902 | 37.372 | -7.453 | -7.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 583 | TYR | 0 | -0.025 | -0.009 | 36.025 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 584 | ALA | 0 | 0.026 | 0.026 | 38.093 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 585 | LYS | 1 | 0.823 | 0.916 | 39.951 | 7.636 | 7.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 586 | SER | 0 | -0.104 | -0.067 | 40.658 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 587 | ALA | -1 | -0.954 | -0.963 | 41.303 | -7.128 | -7.128 | 0.000 | 0.000 | 0.000 | 0.000 |