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: 8K1KY
Calculation Name: 2EWF-A-Xray549
Preferred Name:
Target Type:
Ligand Name: bromide ion
Ligand 3-letter code: BR
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2EWF
Chain ID: A
UniProt ID: A3FEV7
Base Structure: X-ray
Registration Date: 2025-10-11
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 | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | ac.sh, 23 2024 Oct |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 604 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -14536513.182817 |
|---|---|
| FMO2-HF: Nuclear repulsion | 14290371.798552 |
| FMO2-HF: Total energy | -246141.384265 |
| FMO2-MP2: Total energy | -246867.162238 |
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:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
| 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. |
| 123.262 | 128.603 | 7.011 | -3.675 | -8.674 | -0.026 |
Interaction energy analysis for fragmet #1(A:1:MET)
| 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 | LYS | 1 | 0.837 | 0.925 | 1.992 | 47.617 | 49.953 | 6.313 | -2.433 | -6.216 | -0.016 |
| 4 | A | 4 | LYS | 1 | 0.814 | 0.894 | 3.974 | 24.364 | 24.609 | 0.001 | -0.090 | -0.155 | -0.001 |
| 210 | A | 210 | ASN | 0 | 0.037 | 0.022 | 2.739 | -1.910 | -0.352 | 0.383 | -0.657 | -1.283 | -0.005 |
| 211 | A | 211 | VAL | 0 | 0.005 | -0.010 | 2.513 | 3.456 | 4.529 | 0.315 | -0.450 | -0.937 | -0.004 |
| 212 | A | 212 | GLY | 0 | 0.035 | 0.034 | 4.214 | 6.478 | 6.607 | -0.001 | -0.045 | -0.083 | 0.000 |
| 5 | A | 5 | VAL | 0 | 0.001 | -0.010 | 4.911 | -1.290 | -1.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 6 | ASN | 0 | -0.012 | 0.001 | 7.689 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | TRP | 0 | 0.015 | 0.040 | 11.277 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | TYR | 0 | -0.040 | -0.039 | 13.798 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | VAL | 0 | 0.026 | 0.030 | 17.119 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | SER | 0 | 0.000 | 0.006 | 20.588 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | CYS | 0 | -0.007 | -0.023 | 21.928 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | SER | 0 | -0.069 | -0.020 | 23.865 | 0.616 | 0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | PRO | 0 | 0.013 | 0.013 | 25.639 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | ARG | 1 | 0.817 | 0.878 | 24.955 | 11.820 | 11.820 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | SER | 0 | -0.067 | -0.067 | 27.068 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | PRO | 0 | 0.033 | 0.042 | 29.294 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | GLU | -1 | -0.740 | -0.865 | 30.454 | -9.349 | -9.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | LYS | 1 | 0.886 | 0.944 | 31.965 | 9.659 | 9.659 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | ILE | 0 | 0.037 | 0.018 | 27.457 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | GLN | 0 | -0.058 | -0.008 | 31.878 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | PRO | 0 | 0.040 | 0.008 | 35.347 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | GLU | -1 | -0.798 | -0.898 | 30.268 | -10.495 | -10.495 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | LEU | 0 | 0.017 | -0.001 | 31.605 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | LYS | 1 | 0.919 | 0.960 | 33.928 | 7.676 | 7.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | VAL | 0 | -0.013 | 0.008 | 36.063 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | LEU | 0 | -0.020 | -0.026 | 30.113 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | ALA | 0 | -0.015 | -0.019 | 34.707 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 28 | ASN | 0 | -0.063 | -0.031 | 36.772 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 29 | PHE | 0 | -0.018 | -0.011 | 35.145 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 30 | GLU | -1 | -0.858 | -0.918 | 35.459 | -8.801 | -8.801 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 31 | GLY | 0 | 0.029 | 0.026 | 35.598 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 32 | SER | 0 | -0.030 | -0.006 | 35.354 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | TYR | 0 | -0.038 | -0.037 | 31.246 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 34 | TRP | 0 | -0.003 | -0.015 | 27.896 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 35 | LYS | 1 | 0.916 | 0.977 | 26.313 | 10.535 | 10.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | GLY | 0 | 0.018 | 0.005 | 27.125 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | VAL | 0 | 0.044 | 0.005 | 28.333 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | LYS | 1 | 0.869 | 0.948 | 31.347 | 9.556 | 9.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | GLY | 0 | 0.010 | 0.026 | 30.927 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | TYR | 0 | 0.001 | -0.001 | 28.379 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | LYS | 1 | 0.981 | 0.992 | 32.822 | 7.910 | 7.910 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | ALA | 0 | 0.043 | 0.031 | 34.387 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | GLN | 0 | 0.015 | 0.000 | 28.072 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | GLU | -1 | -0.829 | -0.921 | 32.599 | -9.323 | -9.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | ALA | 0 | -0.076 | -0.023 | 34.712 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | PHE | 0 | 0.054 | 0.026 | 30.529 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | ALA | 0 | -0.017 | 0.000 | 32.775 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | LYS | 1 | 0.863 | 0.923 | 34.203 | 8.591 | 8.591 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | GLU | -1 | -0.839 | -0.911 | 37.891 | -7.916 | -7.916 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | LEU | 0 | -0.034 | -0.019 | 31.439 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | ALA | 0 | -0.027 | -0.018 | 35.837 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | ALA | 0 | 0.003 | 0.013 | 36.806 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | LEU | 0 | 0.007 | 0.007 | 35.508 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | PRO | 0 | 0.017 | -0.020 | 38.517 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 55 | GLN | 0 | -0.084 | -0.038 | 33.371 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 56 | PHE | 0 | -0.026 | -0.018 | 31.082 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 57 | LEU | 0 | 0.031 | 0.044 | 36.034 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | GLY | 0 | -0.019 | -0.020 | 39.550 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | THR | 0 | 0.037 | 0.016 | 41.133 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | THR | 0 | -0.064 | -0.014 | 37.678 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | TYR | 0 | 0.080 | 0.034 | 39.268 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | LYS | 1 | 0.819 | 0.879 | 35.627 | 8.688 | 8.688 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | LYS | 1 | 0.869 | 0.943 | 33.720 | 8.668 | 8.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 64 | GLU | -1 | -0.786 | -0.880 | 30.964 | -9.143 | -9.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 65 | ALA | 0 | 0.046 | 0.018 | 31.651 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 66 | ALA | 0 | -0.023 | 0.004 | 29.575 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | PHE | 0 | -0.014 | -0.008 | 26.545 | -0.579 | -0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 68 | SER | 0 | -0.008 | -0.019 | 24.897 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 69 | THR | 0 | 0.047 | 0.003 | 27.083 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 70 | ARG | 1 | 0.861 | 0.930 | 20.606 | 14.890 | 14.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 71 | ASP | -1 | -0.821 | -0.905 | 21.994 | -14.468 | -14.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 72 | ARG | 1 | 0.859 | 0.924 | 23.779 | 10.886 | 10.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 73 | VAL | 0 | 0.022 | 0.010 | 25.682 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 74 | ALA | 0 | -0.019 | 0.005 | 20.865 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 75 | PRO | 0 | 0.011 | 0.016 | 22.544 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 76 | MET | 0 | 0.016 | 0.023 | 24.011 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 77 | LYS | 1 | 0.954 | 0.990 | 22.953 | 13.333 | 13.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 78 | THR | 0 | -0.065 | -0.031 | 19.695 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 79 | TYR | 0 | 0.015 | 0.019 | 21.637 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 80 | GLY | 0 | 0.081 | 0.057 | 24.976 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | PHE | 0 | -0.006 | 0.007 | 26.547 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | VAL | 0 | -0.001 | -0.009 | 27.496 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 83 | PHE | 0 | -0.023 | -0.012 | 26.106 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 84 | VAL | 0 | -0.062 | -0.033 | 26.173 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 85 | ASP | -1 | -0.645 | -0.795 | 26.734 | -10.135 | -10.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 86 | GLU | -1 | -0.793 | -0.876 | 25.904 | -11.787 | -11.787 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 87 | GLU | -1 | -0.878 | -0.941 | 28.177 | -9.869 | -9.869 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 88 | GLY | 0 | -0.132 | -0.081 | 29.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 89 | TYR | 0 | -0.010 | -0.022 | 30.210 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 90 | LEU | 0 | -0.037 | -0.015 | 29.824 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 91 | ARG | 1 | 0.833 | 0.903 | 30.766 | 9.420 | 9.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 92 | ILE | 0 | 0.013 | 0.010 | 31.032 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 93 | THR | 0 | -0.017 | -0.019 | 29.318 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 94 | GLU | -1 | -0.783 | -0.880 | 32.683 | -8.087 | -8.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 95 | ALA | 0 | -0.002 | 0.012 | 31.415 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 96 | GLY | 0 | 0.018 | -0.003 | 32.803 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 97 | LYS | 1 | 0.825 | 0.890 | 33.545 | 8.704 | 8.704 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 98 | MET | 0 | -0.053 | -0.014 | 36.416 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 99 | LEU | 0 | 0.026 | 0.033 | 32.635 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 100 | ALA | 0 | 0.022 | 0.009 | 36.431 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 101 | ASN | 0 | -0.090 | -0.048 | 37.948 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 102 | ASN | 0 | 0.005 | -0.004 | 39.500 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 103 | ARG | 1 | 0.954 | 0.969 | 40.148 | 7.731 | 7.731 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 104 | ARG | 1 | 0.816 | 0.866 | 39.056 | 7.238 | 7.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 105 | PRO | 0 | 0.016 | 0.019 | 36.539 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 106 | LYS | 1 | 0.942 | 0.967 | 35.068 | 7.812 | 7.812 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 107 | ASP | -1 | -0.777 | -0.885 | 34.517 | -8.283 | -8.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 108 | VAL | 0 | -0.038 | -0.009 | 32.855 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 109 | PHE | 0 | -0.019 | -0.031 | 28.533 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 110 | LEU | 0 | -0.007 | 0.010 | 29.781 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 111 | LYS | 1 | 0.800 | 0.885 | 29.987 | 8.388 | 8.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 112 | GLN | 0 | -0.084 | -0.050 | 27.644 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 113 | LEU | 0 | -0.032 | -0.035 | 24.666 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 114 | VAL | 0 | -0.006 | 0.007 | 25.173 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 115 | LYS | 1 | 0.797 | 0.899 | 25.562 | 9.987 | 9.987 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 116 | TRP | 0 | -0.040 | -0.012 | 18.952 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 117 | GLN | 0 | -0.026 | -0.026 | 19.030 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 118 | TYR | 0 | -0.044 | 0.003 | 13.452 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 119 | PRO | 0 | 0.046 | 0.010 | 12.720 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 120 | SER | 0 | 0.007 | 0.004 | 15.109 | 1.084 | 1.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 121 | PHE | 0 | 0.015 | 0.020 | 17.041 | -0.775 | -0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 122 | GLN | 0 | -0.029 | -0.021 | 18.183 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 123 | HIS | 0 | -0.016 | 0.009 | 13.763 | -1.804 | -1.804 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 124 | LYS | 1 | 0.904 | 0.961 | 12.939 | 16.515 | 16.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | GLY | 0 | 0.028 | 0.020 | 11.589 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | LYS | 1 | 0.954 | 0.952 | 7.328 | 24.446 | 24.446 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 127 | GLU | -1 | -0.854 | -0.908 | 6.045 | -33.928 | -33.928 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 128 | TYR | 0 | -0.011 | -0.002 | 7.214 | -2.255 | -2.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 129 | PRO | 0 | 0.030 | 0.032 | 4.969 | 1.888 | 1.888 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 130 | GLU | -1 | -0.736 | -0.850 | 8.273 | -17.097 | -17.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 131 | GLU | -1 | -0.940 | -0.969 | 7.057 | -25.643 | -25.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 132 | GLU | -1 | -0.856 | -0.898 | 5.827 | -38.767 | -38.767 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | TRP | 0 | -0.066 | -0.033 | 7.625 | 2.720 | 2.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | SER | 0 | 0.034 | -0.002 | 11.401 | 0.966 | 0.966 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 135 | ILE | 0 | -0.022 | 0.014 | 14.938 | 0.766 | 0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 136 | ASN | 0 | 0.038 | 0.005 | 17.250 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 137 | PRO | 0 | -0.026 | -0.009 | 17.867 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 138 | LEU | 0 | 0.017 | 0.009 | 20.207 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 139 | VAL | 0 | 0.062 | 0.019 | 23.578 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 140 | PHE | 0 | 0.034 | 0.031 | 18.805 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 141 | VAL | 0 | -0.008 | -0.015 | 21.703 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 142 | LEU | 0 | -0.009 | 0.004 | 23.857 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 143 | SER | 0 | 0.014 | -0.011 | 24.345 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 144 | LEU | 0 | -0.008 | 0.003 | 21.441 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 145 | LEU | 0 | -0.043 | -0.013 | 25.012 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 146 | LYS | 1 | 0.843 | 0.908 | 28.287 | 9.484 | 9.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 147 | LYS | 1 | 0.873 | 0.950 | 26.568 | 10.958 | 10.958 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 148 | VAL | 0 | 0.004 | -0.007 | 25.523 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 149 | GLY | 0 | 0.030 | 0.031 | 28.813 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 150 | GLY | 0 | -0.040 | -0.040 | 30.274 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 151 | LEU | 0 | -0.017 | 0.014 | 24.249 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 152 | SER | 0 | -0.016 | -0.015 | 26.763 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 153 | LYS | 1 | 0.873 | 0.910 | 25.204 | 10.371 | 10.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 154 | LEU | 0 | -0.019 | -0.007 | 22.319 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 155 | ASP | -1 | -0.711 | -0.832 | 22.118 | -12.124 | -12.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 156 | ILE | 0 | 0.010 | -0.009 | 21.023 | -0.616 | -0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 157 | ALA | 0 | -0.039 | -0.020 | 19.014 | -0.750 | -0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 158 | MET | 0 | -0.073 | -0.026 | 17.475 | -0.812 | -0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 159 | PHE | 0 | 0.043 | 0.013 | 16.938 | -0.950 | -0.950 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 160 | CYS | 0 | -0.025 | 0.018 | 17.540 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 161 | LEU | 0 | -0.019 | -0.009 | 15.621 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 162 | THR | 0 | -0.020 | -0.020 | 11.756 | -0.752 | -0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 163 | ALA | 0 | 0.018 | 0.046 | 12.144 | -1.180 | -1.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 164 | THR | 0 | -0.028 | -0.042 | 9.040 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 165 | ASN | 0 | 0.001 | -0.011 | 12.438 | 1.342 | 1.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 166 | ASN | 0 | 0.071 | 0.018 | 14.946 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 167 | ASN | 0 | -0.022 | -0.010 | 15.155 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 168 | GLN | 0 | 0.023 | 0.004 | 13.058 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 169 | VAL | 0 | -0.019 | -0.003 | 17.655 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 170 | ASP | -1 | -0.821 | -0.913 | 21.314 | -11.293 | -11.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 171 | GLU | -1 | -0.876 | -0.925 | 15.414 | -17.517 | -17.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 172 | ILE | 0 | 0.011 | -0.006 | 15.858 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 173 | ALA | 0 | -0.016 | -0.012 | 20.175 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 174 | GLU | -1 | -0.904 | -0.955 | 23.165 | -10.639 | -10.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 175 | GLU | 0 | -0.045 | -0.062 | 17.774 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 176 | ILE | 0 | -0.007 | -0.006 | 22.108 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 177 | MET | 0 | -0.021 | -0.007 | 24.361 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 178 | GLN | 0 | 0.033 | 0.022 | 24.336 | 0.651 | 0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 179 | PHE | 0 | -0.011 | -0.011 | 23.736 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 180 | ARG | 1 | 0.782 | 0.855 | 25.804 | 11.084 | 11.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 181 | ASN | 0 | 0.024 | 0.021 | 29.166 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 182 | GLU | -1 | -0.800 | -0.894 | 28.119 | -9.698 | -9.698 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 183 | ARG | 1 | 0.877 | 0.945 | 28.306 | 10.678 | 10.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 184 | GLU | -1 | -0.864 | -0.945 | 30.496 | -8.210 | -8.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 185 | LYS | 1 | 0.847 | 0.914 | 32.363 | 9.795 | 9.795 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 186 | ILE | 0 | -0.031 | 0.006 | 30.468 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 187 | LYS | 1 | 0.865 | 0.933 | 33.955 | 8.456 | 8.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 188 | GLY | 0 | 0.061 | 0.025 | 36.764 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 189 | GLN | 0 | 0.016 | -0.008 | 34.008 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | ASN | 0 | 0.007 | -0.009 | 33.490 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | LYS | 1 | 0.992 | 1.011 | 32.130 | 8.803 | 8.803 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | LYS | 1 | 0.859 | 0.948 | 30.833 | 8.690 | 8.690 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 193 | LEU | 0 | -0.062 | -0.013 | 29.296 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 194 | GLU | -1 | -0.855 | -0.938 | 27.584 | -10.425 | -10.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 195 | PHE | 0 | 0.009 | 0.006 | 26.347 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 196 | THR | 0 | 0.002 | -0.005 | 24.831 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 197 | GLU | -1 | -0.753 | -0.851 | 22.903 | -14.197 | -14.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 198 | ASN | 0 | -0.036 | -0.020 | 21.672 | -0.700 | -0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 199 | TYR | -1 | -0.808 | -0.913 | 20.146 | -14.957 | -14.957 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 200 | PHE | 0 | -0.014 | -0.011 | 17.240 | -0.845 | -0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 201 | PHE | 0 | 0.001 | -0.017 | 17.172 | -1.312 | -1.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 202 | LYS | 0 | 0.009 | -0.016 | 16.117 | -1.401 | -1.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 203 | ARG | 0 | 0.029 | 0.084 | 14.876 | -1.199 | -1.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 204 | PHE | 0 | -0.003 | -0.021 | 12.717 | -1.997 | -1.997 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 205 | GLU | 0 | -0.074 | -0.051 | 11.492 | -2.748 | -2.748 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 206 | LYS | 0 | -0.003 | 0.005 | 10.801 | -1.830 | -1.830 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 207 | ILE | 0 | -0.002 | 0.022 | 8.708 | -2.651 | -2.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 208 | TYR | 0 | -0.058 | -0.066 | 6.957 | -4.721 | -4.721 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 209 | GLY | 0 | -0.054 | -0.019 | 7.951 | -0.942 | -0.942 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 213 | LYS | 1 | 0.910 | 0.942 | 7.305 | 29.546 | 29.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 214 | ILE | 0 | -0.004 | -0.010 | 8.091 | 2.897 | 2.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 215 | ARG | 1 | 0.965 | 0.984 | 5.884 | 44.219 | 44.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 216 | GLU | -1 | -0.881 | -0.947 | 9.279 | -26.487 | -26.487 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 217 | GLY | 0 | -0.005 | -0.009 | 12.309 | 1.620 | 1.620 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 218 | LYS | 1 | 0.826 | 0.914 | 14.266 | 19.083 | 19.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 219 | SER | 0 | 0.019 | -0.001 | 17.751 | 0.910 | 0.910 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 220 | ASP | -1 | -0.758 | -0.858 | 16.439 | -18.287 | -18.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 221 | SER | 0 | 0.069 | 0.046 | 16.215 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 222 | SER | 0 | -0.054 | -0.039 | 15.944 | -1.181 | -1.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 223 | HIS | 0 | 0.102 | 0.051 | 10.767 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 224 | LYS | 1 | 0.890 | 0.925 | 14.724 | 13.569 | 13.569 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 225 | SER | 0 | 0.015 | 0.017 | 16.954 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 226 | LYS | 1 | 0.770 | 0.900 | 11.925 | 21.294 | 21.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 227 | ILE | 0 | 0.032 | 0.009 | 12.292 | -0.453 | -0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 228 | GLU | -1 | -0.733 | -0.860 | 14.296 | -14.485 | -14.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 229 | THR | 0 | -0.083 | -0.048 | 15.540 | 1.266 | 1.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 230 | LYS | 1 | 0.882 | 0.965 | 10.181 | 26.931 | 26.931 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 231 | MET | 0 | 0.027 | 0.042 | 14.603 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 232 | ARG | 1 | 0.867 | 0.942 | 17.533 | 16.249 | 16.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 233 | ASN | 0 | 0.007 | -0.011 | 15.345 | 1.264 | 1.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 234 | ALA | 0 | 0.036 | 0.030 | 15.964 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 235 | ARG | 1 | 0.810 | 0.858 | 17.821 | 14.440 | 14.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 236 | ASP | -1 | -0.843 | -0.885 | 20.934 | -12.669 | -12.669 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 237 | VAL | 0 | 0.038 | 0.009 | 17.554 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 238 | ALA | 0 | 0.030 | 0.041 | 20.585 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 239 | ASP | -1 | -0.815 | -0.883 | 22.279 | -10.447 | -10.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 240 | ALA | 0 | 0.008 | 0.006 | 23.039 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 241 | THR | 0 | -0.006 | -0.020 | 21.637 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 242 | THR | 0 | -0.030 | -0.019 | 24.041 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 243 | ARG | 1 | 0.791 | 0.894 | 27.360 | 10.791 | 10.791 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 244 | TYR | 0 | -0.004 | -0.034 | 25.986 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 245 | PHE | 0 | 0.024 | 0.013 | 22.562 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 246 | ARG | 1 | 0.770 | 0.880 | 28.499 | 9.489 | 9.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 247 | TYR | 0 | -0.014 | 0.003 | 31.571 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 248 | THR | 0 | -0.039 | -0.033 | 29.988 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 249 | GLY | 0 | 0.035 | 0.015 | 33.108 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 250 | LEU | 0 | 0.031 | 0.004 | 30.663 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 251 | PHE | 0 | -0.015 | -0.015 | 27.020 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 252 | VAL | 0 | 0.005 | 0.008 | 32.676 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 253 | ALA | 0 | -0.047 | -0.025 | 33.315 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 254 | ARG | 1 | 0.973 | 0.990 | 34.054 | 9.074 | 9.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 255 | GLY | 0 | 0.036 | 0.024 | 35.800 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 256 | ASN | 0 | -0.061 | -0.055 | 32.269 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 257 | GLN | 0 | 0.005 | -0.005 | 30.382 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 258 | LEU | 0 | -0.023 | -0.003 | 26.887 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 259 | VAL | 0 | 0.005 | -0.012 | 30.311 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 260 | LEU | 0 | 0.030 | 0.017 | 29.996 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 261 | ASN | 0 | 0.000 | 0.000 | 33.029 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 262 | PRO | 0 | 0.047 | 0.029 | 36.285 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 263 | GLU | -1 | -0.812 | -0.885 | 38.794 | -7.212 | -7.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 264 | LYS | 1 | 0.821 | 0.914 | 35.999 | 7.954 | 7.954 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 265 | SER | 0 | -0.007 | -0.008 | 36.414 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 266 | ASP | -1 | -0.834 | -0.915 | 36.085 | -7.755 | -7.755 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 267 | LEU | 0 | -0.035 | -0.010 | 34.694 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 268 | ILE | 0 | -0.033 | -0.021 | 31.045 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 269 | ASP | -1 | -0.812 | -0.883 | 31.582 | -9.133 | -9.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 270 | GLU | -1 | -0.779 | -0.858 | 32.544 | -8.485 | -8.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 271 | ILE | 0 | -0.028 | -0.005 | 28.615 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 272 | ILE | 0 | -0.029 | -0.013 | 27.280 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 273 | SER | 0 | -0.047 | -0.006 | 27.913 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 274 | SER | 0 | -0.035 | -0.026 | 29.740 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 275 | SER | 0 | -0.048 | -0.043 | 25.065 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 276 | LYS | 1 | 0.923 | 0.965 | 22.942 | 10.798 | 10.798 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 277 | VAL | 0 | -0.005 | 0.017 | 16.981 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 278 | VAL | 0 | -0.037 | -0.016 | 20.443 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 279 | LYS | 1 | 0.936 | 0.936 | 16.498 | 14.775 | 14.775 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 280 | ASN | 0 | 0.031 | 0.040 | 20.190 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 281 | TYR | 0 | -0.072 | -0.078 | 14.823 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 282 | THR | 0 | -0.017 | -0.021 | 17.568 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 283 | ARG | 1 | 0.880 | 0.892 | 19.889 | 10.936 | 10.936 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 284 | VAL | 0 | -0.012 | 0.005 | 23.210 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 285 | GLU | -1 | -0.816 | -0.918 | 24.899 | -10.093 | -10.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 286 | GLU | -1 | -0.885 | -0.946 | 25.819 | -11.258 | -11.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 287 | PHE | 0 | -0.003 | 0.009 | 21.504 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 288 | HIS | 0 | -0.092 | -0.067 | 23.663 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 289 | GLU | -1 | -0.901 | -0.931 | 27.602 | -9.149 | -9.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 290 | TYR | 0 | 0.005 | -0.005 | 24.390 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 291 | TYR | 0 | -0.057 | -0.057 | 23.081 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 292 | GLY | 0 | 0.051 | 0.013 | 27.142 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 293 | ASN | 0 | 0.063 | 0.031 | 29.930 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 294 | PRO | 0 | 0.000 | -0.004 | 32.358 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 295 | SER | 0 | -0.001 | -0.003 | 34.038 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 296 | LEU | 0 | -0.036 | 0.014 | 31.428 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 297 | PRO | 0 | 0.019 | -0.004 | 29.781 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 298 | GLN | 0 | -0.042 | -0.016 | 32.299 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 299 | PHE | 0 | -0.010 | -0.012 | 32.611 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 300 | SER | 0 | -0.013 | -0.049 | 37.080 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 301 | PHE | 0 | 0.045 | 0.021 | 38.204 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 302 | GLU | -1 | -0.845 | -0.913 | 37.881 | -8.033 | -8.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 303 | THR | 0 | -0.009 | -0.024 | 42.021 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 304 | LYS | 1 | 0.961 | 0.976 | 45.201 | 5.954 | 5.954 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 305 | GLU | -1 | -0.853 | -0.920 | 48.598 | -6.276 | -6.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 306 | GLN | 0 | 0.042 | 0.022 | 43.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 307 | LEU | 0 | -0.030 | -0.011 | 43.202 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 308 | LEU | 0 | -0.016 | -0.009 | 47.067 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 309 | ASP | -1 | -0.859 | -0.924 | 48.724 | -6.141 | -6.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 310 | LEU | 0 | -0.089 | -0.037 | 42.963 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 311 | ALA | 0 | 0.019 | 0.003 | 47.407 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 312 | HIS | 0 | 0.039 | 0.020 | 49.605 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 313 | ARG | 1 | 0.935 | 0.987 | 44.900 | 6.761 | 6.761 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 314 | ILE | 0 | 0.029 | 0.017 | 45.058 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 315 | ARG | 1 | 0.857 | 0.919 | 49.379 | 5.595 | 5.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 316 | ASP | -1 | -0.824 | -0.899 | 53.010 | -5.641 | -5.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 317 | GLU | -1 | -0.963 | -0.979 | 47.396 | -6.608 | -6.608 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 318 | ASN | 0 | 0.010 | -0.016 | 49.415 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 319 | THR | 0 | -0.034 | -0.023 | 52.591 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 320 | ARG | 1 | 0.911 | 0.947 | 52.674 | 5.883 | 5.883 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 321 | LEU | 0 | -0.037 | -0.013 | 50.129 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 322 | ALA | 0 | 0.027 | 0.009 | 54.380 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 323 | GLU | -1 | -0.927 | -0.975 | 56.922 | -5.164 | -5.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 324 | GLN | 0 | -0.069 | -0.037 | 54.571 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 325 | LEU | 0 | -0.031 | -0.006 | 54.155 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 326 | VAL | 0 | -0.031 | -0.023 | 58.853 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 327 | GLU | -1 | -0.894 | -0.930 | 61.632 | -4.733 | -4.733 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 328 | HIS | 0 | -0.042 | -0.031 | 61.770 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 329 | PHE | 0 | -0.045 | -0.016 | 58.563 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 330 | PRO | 0 | 0.081 | 0.045 | 59.948 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 331 | ASN | 0 | -0.065 | -0.060 | 57.538 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 332 | VAL | 0 | 0.025 | 0.022 | 56.022 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 333 | LYS | 1 | 0.885 | 0.947 | 58.018 | 5.077 | 5.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 334 | VAL | 0 | -0.038 | -0.010 | 55.570 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 335 | GLU | -1 | -0.750 | -0.877 | 52.849 | -5.886 | -5.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 336 | ILE | 0 | 0.010 | 0.001 | 55.391 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 337 | GLN | 0 | -0.038 | -0.013 | 58.202 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 338 | VAL | 0 | 0.032 | 0.009 | 52.774 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 339 | LEU | 0 | -0.021 | -0.016 | 52.757 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 340 | GLU | -1 | -0.780 | -0.870 | 55.061 | -5.339 | -5.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 341 | ASP | -1 | -0.897 | -0.938 | 56.518 | -5.424 | -5.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 342 | ILE | 0 | -0.062 | -0.029 | 50.555 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 343 | TYR | 0 | -0.012 | -0.042 | 50.688 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 344 | ASN | 0 | 0.008 | 0.008 | 55.124 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 345 | SER | 0 | -0.070 | -0.027 | 53.650 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 346 | LEU | 0 | -0.012 | -0.015 | 51.816 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 347 | ASN | 0 | -0.027 | -0.006 | 55.686 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 348 | LYS | 1 | 0.828 | 0.909 | 57.693 | 5.450 | 5.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 349 | LYS | 1 | 0.892 | 0.949 | 52.328 | 6.008 | 6.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 350 | VAL | 0 | 0.031 | 0.021 | 52.981 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 351 | ASP | -1 | -0.818 | -0.891 | 49.676 | -6.268 | -6.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 352 | VAL | 0 | 0.041 | 0.000 | 43.824 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 353 | GLU | -1 | -0.818 | -0.872 | 43.370 | -7.444 | -7.444 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 354 | THR | 0 | -0.012 | -0.034 | 46.152 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 355 | LEU | 0 | -0.006 | 0.000 | 47.781 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 356 | LYS | 1 | 0.907 | 0.971 | 39.833 | 7.635 | 7.635 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 357 | ASP | -1 | -0.859 | -0.923 | 44.556 | -7.113 | -7.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 358 | VAL | 0 | -0.047 | -0.017 | 46.261 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 359 | ILE | 0 | 0.016 | 0.008 | 43.635 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 360 | TYR | 0 | -0.056 | -0.028 | 39.366 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 361 | HIS | 1 | 0.871 | 0.911 | 44.154 | 6.783 | 6.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 362 | ALA | 0 | 0.045 | 0.043 | 47.063 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 363 | LYS | 1 | 0.877 | 0.931 | 39.654 | 7.777 | 7.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 364 | GLU | -1 | -0.877 | -0.938 | 43.193 | -7.220 | -7.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 365 | LEU | 0 | -0.003 | 0.001 | 45.232 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 366 | GLN | 0 | 0.001 | 0.001 | 45.772 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 367 | LEU | 0 | -0.040 | -0.007 | 42.002 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 368 | GLU | -1 | -0.828 | -0.898 | 46.026 | -6.621 | -6.621 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 369 | LEU | 0 | 0.025 | 0.011 | 49.234 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 370 | LYS | 1 | 0.801 | 0.884 | 43.602 | 7.177 | 7.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 371 | LYS | 1 | 0.762 | 0.873 | 45.984 | 6.768 | 6.768 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 372 | LYS | 1 | 0.738 | 0.840 | 49.363 | 5.870 | 5.870 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 373 | LYS | 1 | 0.952 | 0.984 | 49.938 | 6.369 | 6.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 374 | LEU | 0 | 0.021 | 0.023 | 46.817 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 375 | GLN | 0 | -0.033 | 0.009 | 51.376 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 376 | ALA | 0 | -0.010 | -0.001 | 54.912 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 377 | ASP | -1 | -0.863 | -0.937 | 50.594 | -6.163 | -6.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 378 | PHE | 0 | -0.054 | -0.049 | 49.060 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 379 | ASN | 0 | 0.051 | 0.028 | 54.545 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 380 | ASP | -1 | -0.852 | -0.909 | 54.477 | -5.707 | -5.707 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 381 | PRO | 0 | 0.008 | -0.010 | 55.380 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 382 | ARG | 1 | 0.884 | 0.940 | 50.965 | 6.008 | 6.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 383 | GLN | 0 | 0.028 | 0.007 | 47.737 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 384 | LEU | 0 | -0.012 | 0.003 | 51.150 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 385 | GLU | -1 | -0.800 | -0.859 | 52.963 | -5.829 | -5.829 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 386 | GLU | -1 | -0.923 | -0.957 | 47.975 | -6.627 | -6.627 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 387 | VAL | 0 | -0.015 | -0.006 | 48.004 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 388 | ILE | 0 | 0.012 | 0.024 | 49.391 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 389 | ASP | 0 | 0.000 | -0.035 | 49.599 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 390 | LEU | 0 | -0.060 | -0.041 | 43.392 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 391 | LEU | 0 | -0.015 | -0.005 | 45.993 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 392 | GLU | -1 | -0.842 | -0.930 | 48.284 | -6.066 | -6.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 393 | VAL | 0 | -0.051 | -0.018 | 43.008 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 394 | TYR | 0 | -0.084 | -0.075 | 41.018 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 395 | HIS | 0 | 0.013 | 0.006 | 46.125 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 396 | GLU | -1 | -0.894 | -0.928 | 44.937 | -6.802 | -6.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 397 | LYS | 1 | 0.960 | 0.972 | 43.531 | 6.839 | 6.839 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 398 | LYS | 1 | 0.911 | 0.931 | 35.628 | 8.623 | 8.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 399 | ASN | 0 | 0.012 | -0.010 | 37.963 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 400 | VAL | 0 | 0.022 | 0.022 | 38.609 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 401 | ILE | 0 | 0.014 | 0.017 | 40.301 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 402 | GLU | -1 | -0.854 | -0.932 | 34.855 | -9.181 | -9.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 403 | GLU | -1 | -0.945 | -0.970 | 36.024 | -8.212 | -8.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 404 | LYS | 1 | 0.920 | 0.967 | 37.127 | 6.992 | 6.992 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 405 | ILE | 0 | 0.029 | 0.026 | 36.408 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 406 | LYS | 1 | 0.887 | 0.945 | 31.769 | 9.459 | 9.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 407 | ALA | 0 | -0.027 | -0.010 | 33.591 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 408 | ARG | 1 | 0.871 | 0.937 | 35.865 | 7.778 | 7.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 409 | PHE | 0 | 0.041 | 0.030 | 35.782 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 410 | ILE | 0 | 0.012 | 0.019 | 29.891 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 411 | ALA | 0 | -0.022 | 0.009 | 31.637 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 412 | ASN | 0 | 0.002 | 0.001 | 33.128 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 413 | LYS | 1 | 0.962 | 0.975 | 34.747 | 8.267 | 8.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 414 | ASN | 0 | 0.012 | 0.012 | 37.685 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 415 | THR | 0 | 0.028 | -0.002 | 36.490 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 416 | VAL | 0 | -0.011 | 0.003 | 37.801 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 417 | PHE | 0 | 0.006 | 0.016 | 40.426 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 418 | GLU | -1 | -0.721 | -0.878 | 40.319 | -7.668 | -7.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 419 | TRP | 0 | 0.001 | -0.012 | 41.524 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 420 | LEU | 0 | 0.013 | 0.012 | 43.626 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 421 | THR | 0 | -0.007 | -0.007 | 46.104 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 422 | TRP | 0 | -0.026 | -0.036 | 44.871 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 423 | ASN | 0 | 0.027 | -0.009 | 45.331 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 424 | GLY | 0 | 0.011 | 0.010 | 49.056 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 425 | PHE | 0 | -0.023 | -0.032 | 50.989 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 426 | ILE | 0 | 0.004 | 0.012 | 48.949 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 427 | ILE | 0 | -0.020 | 0.002 | 51.930 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 428 | LEU | 0 | -0.035 | -0.013 | 54.942 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 429 | GLY | 0 | 0.062 | 0.042 | 56.401 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 430 | ASN | 0 | -0.067 | -0.070 | 57.805 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 431 | ALA | 0 | -0.039 | 0.002 | 55.631 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 432 | LEU | 0 | -0.040 | -0.017 | 57.222 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 433 | GLU | -1 | -0.865 | -0.935 | 50.701 | -6.268 | -6.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 434 | TYR | 0 | 0.038 | 0.000 | 50.183 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 435 | LYS | 1 | 0.882 | 0.950 | 47.796 | 6.413 | 6.413 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 436 | ASN | 0 | -0.006 | -0.012 | 42.429 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 437 | ASN | 0 | -0.018 | -0.014 | 43.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 438 | PHE | 0 | -0.057 | -0.010 | 39.747 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 439 | VAL | 0 | -0.034 | -0.015 | 35.591 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 440 | ILE | 0 | 0.017 | -0.001 | 37.962 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 441 | ASP | -1 | -0.749 | -0.875 | 35.694 | -8.643 | -8.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 442 | GLU | -1 | -0.840 | -0.931 | 37.686 | -7.723 | -7.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 443 | GLU | -1 | -0.899 | -0.947 | 39.188 | -7.729 | -7.729 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 444 | LEU | 0 | 0.004 | 0.003 | 40.889 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 445 | GLN | 0 | 0.009 | 0.026 | 37.598 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 446 | PRO | 0 | 0.008 | 0.005 | 37.515 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 447 | VAL | 0 | -0.042 | -0.010 | 32.480 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 448 | THR | 0 | -0.051 | -0.049 | 33.248 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 449 | HIS | 1 | 0.791 | 0.918 | 35.170 | 8.026 | 8.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 450 | ALA | 0 | 0.022 | 0.035 | 37.806 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 451 | ALA | 0 | 0.000 | 0.011 | 39.021 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 452 | GLY | 0 | 0.066 | 0.018 | 39.862 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 453 | ASN | 0 | -0.027 | -0.021 | 41.828 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 454 | GLN | 0 | -0.023 | -0.006 | 43.499 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 455 | PRO | 0 | 0.036 | 0.034 | 44.974 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 456 | ASP | -1 | -0.782 | -0.905 | 43.592 | -7.298 | -7.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 457 | MET | 0 | -0.080 | -0.018 | 45.045 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 458 | GLU | -1 | -0.797 | -0.902 | 47.811 | -6.101 | -6.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 459 | ILE | 0 | -0.018 | 0.003 | 50.675 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 460 | ILE | 0 | 0.005 | 0.016 | 53.704 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 461 | TYR | 0 | 0.072 | 0.033 | 56.444 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 462 | GLU | -1 | -0.823 | -0.924 | 59.884 | -5.081 | -5.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 463 | ASP | -1 | -0.823 | -0.912 | 63.010 | -4.843 | -4.843 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 464 | PHE | 0 | -0.032 | -0.016 | 60.480 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 465 | ILE | 0 | 0.021 | 0.007 | 55.756 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 466 | VAL | 0 | 0.000 | 0.000 | 55.189 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 467 | LEU | 0 | 0.000 | -0.003 | 51.445 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 468 | GLY | 0 | 0.024 | 0.008 | 50.508 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 469 | GLU | -1 | -0.792 | -0.896 | 47.925 | -6.768 | -6.768 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 470 | VAL | 0 | 0.005 | 0.002 | 44.686 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 471 | THR | 0 | -0.037 | -0.035 | 44.532 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 472 | THR | 0 | -0.026 | -0.029 | 41.639 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 473 | SER | 0 | -0.038 | -0.019 | 43.818 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 474 | LYS | 1 | 1.023 | 1.006 | 44.707 | 7.031 | 7.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 475 | GLY | 0 | 0.036 | 0.018 | 47.259 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 476 | ALA | 0 | 0.030 | 0.004 | 48.222 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 477 | THR | 0 | 0.005 | -0.007 | 43.350 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 478 | GLN | 0 | -0.008 | -0.009 | 45.364 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 479 | PHE | 0 | 0.017 | 0.018 | 47.612 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 480 | LYS | 0 | -0.033 | -0.003 | 41.514 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 481 | MET | 0 | -0.107 | -0.036 | 42.195 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 482 | GLU | -1 | -0.761 | -0.880 | 45.146 | -7.083 | -7.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 483 | SER | 0 | -0.028 | -0.027 | 48.082 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 484 | GLU | -1 | -0.800 | -0.865 | 47.235 | -6.727 | -6.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 485 | PRO | 0 | -0.010 | 0.001 | 45.213 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 486 | VAL | 0 | 0.026 | 0.020 | 47.872 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 487 | THR | 0 | -0.017 | -0.018 | 50.577 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 488 | ARG | 1 | 0.803 | 0.887 | 45.223 | 6.950 | 6.950 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 489 | HIS | 1 | 0.739 | 0.836 | 45.434 | 6.860 | 6.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 490 | TYR | 0 | 0.021 | 0.000 | 50.587 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 491 | LEU | 0 | 0.021 | 0.003 | 54.263 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 492 | ASN | 0 | -0.071 | -0.042 | 49.712 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 493 | LYS | 1 | 0.835 | 0.924 | 51.743 | 6.148 | 6.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 494 | LYS | 1 | 0.906 | 0.969 | 54.172 | 5.239 | 5.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 495 | LYS | 1 | 0.996 | 0.993 | 55.861 | 5.791 | 5.791 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 496 | GLU | -1 | -0.937 | -0.961 | 51.333 | -6.180 | -6.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 497 | LEU | 0 | 0.031 | 0.010 | 55.784 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 498 | GLU | -1 | -0.883 | -0.946 | 58.386 | -5.134 | -5.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 499 | LYS | 1 | 0.857 | 0.928 | 57.334 | 5.539 | 5.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 500 | GLN | 0 | -0.054 | -0.036 | 54.104 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 501 | GLY | 0 | 0.009 | 0.025 | 59.468 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 502 | VAL | 0 | -0.027 | -0.020 | 58.701 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 503 | GLU | -1 | -0.931 | -0.954 | 61.978 | -4.753 | -4.753 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 504 | LYS | 1 | 0.792 | 0.899 | 60.294 | 5.294 | 5.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 505 | GLU | -1 | -0.818 | -0.886 | 62.088 | -4.955 | -4.955 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 506 | LEU | 0 | -0.001 | 0.010 | 55.661 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 507 | TYR | 0 | 0.022 | 0.007 | 58.569 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 508 | CYS | 0 | -0.028 | -0.006 | 53.144 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 509 | LEU | 0 | 0.020 | 0.026 | 54.404 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 510 | PHE | 0 | 0.000 | -0.004 | 49.078 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 511 | ILE | 0 | 0.034 | 0.018 | 50.199 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 512 | ALA | 0 | 0.037 | 0.006 | 48.894 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 513 | PRO | 0 | -0.060 | -0.029 | 46.840 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 514 | GLU | -1 | -0.936 | -0.962 | 50.110 | -6.169 | -6.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 515 | ILE | 0 | -0.004 | 0.022 | 51.015 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 516 | ASN | 0 | -0.003 | -0.003 | 51.671 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 517 | LYS | 1 | 0.868 | 0.922 | 53.650 | 5.366 | 5.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 518 | ASN | 0 | 0.043 | 0.023 | 54.546 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 519 | THR | 0 | 0.011 | -0.003 | 51.404 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 520 | PHE | 0 | 0.025 | 0.016 | 54.274 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 521 | GLU | -1 | -0.840 | -0.924 | 57.320 | -5.252 | -5.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 522 | GLU | -1 | -0.871 | -0.918 | 54.897 | -5.577 | -5.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 523 | PHE | 0 | 0.037 | 0.004 | 51.634 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 524 | MET | 0 | -0.029 | 0.004 | 57.859 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 525 | LYS | 1 | 0.850 | 0.923 | 58.826 | 5.556 | 5.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 526 | TYR | 0 | 0.000 | -0.018 | 56.008 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 527 | ASN | 0 | 0.019 | 0.009 | 60.344 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 528 | ILE | 0 | -0.022 | -0.006 | 62.526 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 529 | VAL | 0 | -0.063 | -0.023 | 63.295 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 530 | GLN | 0 | -0.031 | -0.015 | 59.574 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 531 | ASN | 0 | -0.031 | -0.001 | 61.948 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 532 | THR | 0 | -0.003 | -0.017 | 57.933 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 533 | ARG | 1 | 0.795 | 0.885 | 59.566 | 5.060 | 5.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 534 | ILE | 0 | -0.001 | -0.009 | 55.108 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 535 | ILE | 0 | 0.035 | 0.024 | 57.457 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 536 | PRO | 0 | -0.059 | -0.033 | 55.803 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 537 | LEU | 0 | 0.033 | 0.030 | 55.519 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 538 | SER | 0 | -0.031 | -0.035 | 54.105 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 539 | LEU | 0 | 0.003 | -0.005 | 48.822 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 540 | LYS | 1 | 0.959 | 0.977 | 52.659 | 5.466 | 5.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 541 | GLN | 0 | 0.022 | 0.007 | 55.653 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 542 | PHE | 0 | 0.019 | 0.013 | 51.454 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 543 | ASN | 0 | -0.016 | -0.039 | 52.110 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 544 | MET | 0 | 0.003 | 0.008 | 55.375 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 545 | LEU | 0 | 0.009 | 0.012 | 57.441 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 546 | LEU | 0 | -0.026 | 0.005 | 52.713 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 547 | MET | 0 | -0.017 | -0.009 | 56.192 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 548 | VAL | 0 | 0.006 | 0.008 | 59.473 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 549 | GLN | 0 | 0.040 | 0.012 | 58.571 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 550 | LYS | 1 | 0.828 | 0.904 | 57.395 | 5.559 | 5.559 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 551 | LYS | 1 | 0.860 | 0.931 | 60.407 | 5.090 | 5.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 552 | LEU | 0 | -0.009 | 0.005 | 63.798 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 553 | ILE | 0 | 0.024 | 0.024 | 59.527 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 554 | GLU | -1 | -0.885 | -0.934 | 62.002 | -5.060 | -5.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 555 | LYS | 0 | -0.074 | -0.031 | 64.640 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 556 | GLY | 0 | -0.014 | 0.003 | 66.485 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 557 | ARG | 1 | 0.855 | 0.927 | 67.077 | 4.605 | 4.605 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 558 | ARG | 1 | 0.908 | 0.930 | 59.698 | 5.131 | 5.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 559 | LEU | 0 | -0.010 | 0.003 | 61.058 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 560 | SER | 0 | -0.002 | -0.016 | 63.510 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 561 | SER | 0 | 0.026 | -0.011 | 63.115 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 562 | TYR | 0 | 0.023 | 0.016 | 64.159 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 563 | ASP | -1 | -0.741 | -0.842 | 65.262 | -4.758 | -4.758 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 564 | ILE | 0 | 0.013 | 0.011 | 59.384 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 565 | LYS | 1 | 0.855 | 0.924 | 62.865 | 4.772 | 4.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 566 | ASN | 0 | 0.025 | 0.006 | 64.663 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 567 | LEU | 0 | 0.016 | 0.026 | 61.097 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 568 | MET | 0 | -0.034 | -0.019 | 59.537 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 569 | VAL | 0 | 0.009 | 0.001 | 63.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 570 | SER | 0 | 0.030 | 0.019 | 66.432 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 571 | LEU | 0 | 0.011 | 0.012 | 61.471 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 572 | TYR | 0 | 0.024 | 0.008 | 63.524 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 573 | ARG | 1 | 0.851 | 0.926 | 64.782 | 4.584 | 4.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 574 | THR | 0 | 0.046 | 0.022 | 66.364 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 575 | THR | 0 | -0.093 | -0.072 | 61.981 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 576 | ILE | 0 | -0.089 | -0.042 | 65.197 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 577 | GLU | -1 | -0.799 | -0.879 | 67.846 | -4.446 | -4.446 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 578 | CYS | 0 | -0.048 | 0.012 | 68.594 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 579 | GLU | -1 | -0.744 | -0.872 | 70.224 | -4.535 | -4.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 580 | ARG | 1 | 0.804 | 0.889 | 65.985 | 4.720 | 4.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 581 | LYS | 1 | 0.957 | 0.955 | 67.021 | 4.687 | 4.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 582 | TYR | 0 | 0.015 | 0.013 | 58.374 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 583 | THR | 0 | -0.023 | -0.021 | 64.165 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 584 | GLN | 0 | -0.032 | -0.006 | 65.797 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 585 | ILE | 0 | 0.060 | 0.021 | 64.364 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 586 | LYS | 1 | 0.918 | 0.959 | 60.287 | 5.211 | 5.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 587 | ALA | 0 | -0.027 | -0.008 | 63.781 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 588 | GLY | 0 | 0.117 | 0.056 | 66.813 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 589 | LEU | 0 | -0.047 | -0.030 | 61.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 590 | GLU | -1 | -0.899 | -0.933 | 62.524 | -5.183 | -5.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 591 | GLU | -1 | -0.932 | -0.956 | 65.059 | -4.464 | -4.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 592 | THR | 0 | -0.015 | -0.021 | 66.712 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 593 | LEU | 0 | -0.037 | -0.012 | 61.379 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 594 | ASN | 0 | 0.028 | 0.002 | 65.394 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 595 | ASN | 0 | -0.005 | -0.005 | 67.657 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 596 | TRP | 0 | -0.014 | -0.017 | 62.633 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 597 | VAL | 0 | -0.012 | -0.014 | 64.288 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 598 | VAL | 0 | -0.013 | -0.005 | 67.071 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 599 | ASP | -1 | -0.869 | -0.909 | 70.614 | -4.477 | -4.477 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 600 | LYS | 1 | 0.761 | 0.874 | 66.322 | 4.743 | 4.743 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 601 | GLU | -1 | -0.941 | -0.959 | 69.557 | -4.317 | -4.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 602 | VAL | 0 | -0.056 | -0.037 | 65.923 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 603 | ARG | 1 | 0.791 | 0.863 | 65.361 | 4.831 | 4.831 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 604 | PHE | -1 | -0.860 | -0.915 | 61.529 | -4.859 | -4.859 | 0.000 | 0.000 | 0.000 | 0.000 |