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: 9QJG2
Calculation Name: 1V4A-A-Xray549
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1V4A
Chain ID: A
UniProt ID: P30870
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 | 437 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -8284022.850251 |
|---|---|
| FMO2-HF: Nuclear repulsion | 8107767.160243 |
| FMO2-HF: Total energy | -176255.690008 |
| FMO2-MP2: Total energy | -176767.520236 |
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. |
| -312.879 | -304.023 | 13.386 | -10.019 | -12.221 | -0.114 |
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 | PRO | 0 | 0.007 | -0.008 | 3.293 | -1.273 | 0.801 | 0.093 | -0.885 | -1.281 | 0.000 |
| 4 | A | 4 | LEU | 0 | 0.043 | 0.042 | 4.902 | -0.135 | 0.015 | -0.001 | -0.012 | -0.137 | 0.000 |
| 30 | A | 30 | ALA | 0 | -0.046 | -0.045 | 3.850 | -0.680 | -0.518 | 0.001 | -0.023 | -0.139 | 0.000 |
| 31 | A | 31 | GLN | 0 | 0.032 | 0.018 | 2.386 | -6.653 | -5.233 | 1.056 | -0.495 | -1.980 | -0.003 |
| 32 | A | 32 | ALA | 0 | 0.096 | 0.063 | 4.162 | -0.457 | -0.329 | 0.001 | 0.039 | -0.169 | 0.000 |
| 34 | A | 34 | SER | 0 | -0.102 | -0.044 | 3.842 | -1.985 | -0.883 | 0.212 | -0.503 | -0.812 | -0.004 |
| 35 | A | 35 | VAL | 0 | 0.047 | 0.011 | 5.993 | -0.122 | -0.087 | -0.001 | -0.007 | -0.027 | 0.000 |
| 107 | A | 107 | LEU | 0 | -0.044 | -0.023 | 3.370 | -7.318 | -6.719 | 0.778 | -0.225 | -1.152 | -0.001 |
| 108 | A | 108 | ALA | 0 | -0.084 | -0.037 | 4.350 | -7.853 | -7.657 | -0.001 | -0.037 | -0.157 | 0.000 |
| 407 | A | 407 | TRP | 0 | -0.052 | -0.031 | 2.272 | -3.888 | -2.618 | 0.941 | -0.597 | -1.614 | -0.006 |
| 408 | A | 408 | ALA | 0 | 0.052 | 0.031 | 4.972 | -8.205 | -8.123 | -0.001 | -0.003 | -0.078 | 0.000 |
| 410 | A | 410 | ASP | -1 | -0.841 | -0.900 | 1.805 | -119.150 | -117.503 | 10.309 | -7.268 | -4.688 | -0.100 |
| 411 | A | 411 | PHE | 0 | -0.019 | 0.004 | 5.061 | 1.563 | 1.554 | -0.001 | -0.003 | 0.013 | 0.000 |
| 5 | A | 5 | SER | 0 | 0.070 | 0.032 | 7.101 | 2.179 | 2.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 6 | SER | 0 | 0.046 | 0.014 | 10.430 | 0.905 | 0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | PRO | 0 | 0.007 | 0.000 | 13.076 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | LEU | 0 | 0.003 | 0.016 | 8.003 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | GLN | 0 | -0.073 | -0.042 | 9.991 | 1.729 | 1.729 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | GLN | 0 | 0.008 | -0.006 | 12.277 | 0.734 | 0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | TYR | 0 | -0.004 | -0.011 | 12.866 | 0.817 | 0.817 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | TRP | 0 | 0.080 | 0.038 | 11.229 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | GLN | 0 | -0.041 | -0.032 | 13.364 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | THR | 0 | -0.069 | -0.042 | 16.549 | 0.875 | 0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | VAL | 0 | -0.053 | -0.018 | 14.098 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | VAL | 0 | 0.030 | 0.013 | 14.540 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | GLU | -1 | -0.979 | -0.981 | 16.899 | -11.367 | -11.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | ARG | 1 | 0.839 | 0.915 | 18.690 | 14.245 | 14.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | LEU | 0 | -0.027 | 0.007 | 14.425 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | PRO | 0 | -0.029 | 0.000 | 19.130 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | GLU | -1 | -0.871 | -0.935 | 20.274 | -11.749 | -11.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | PRO | 0 | -0.080 | -0.052 | 19.284 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | LEU | 0 | -0.055 | -0.030 | 15.500 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | ALA | 0 | 0.102 | 0.058 | 16.675 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | GLU | -1 | -0.835 | -0.937 | 13.959 | -15.944 | -15.944 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | GLU | -1 | -0.978 | -0.991 | 13.116 | -14.429 | -14.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | SER | 0 | -0.105 | -0.058 | 14.582 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 28 | LEU | 0 | -0.015 | 0.003 | 10.358 | -0.833 | -0.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 29 | SER | 0 | -0.021 | -0.038 | 6.861 | -1.358 | -1.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | LYS | 1 | 0.918 | 0.973 | 5.381 | 28.642 | 28.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | LEU | 0 | 0.015 | 0.023 | 7.937 | 1.171 | 1.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | THR | 0 | -0.033 | -0.027 | 8.341 | 1.354 | 1.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | PHE | 0 | -0.043 | -0.031 | 7.705 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | SER | 0 | 0.004 | -0.018 | 9.760 | 1.344 | 1.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | ASP | -1 | -0.728 | -0.819 | 12.807 | -16.746 | -16.746 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | PHE | 0 | 0.023 | 0.016 | 15.859 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | VAL | 0 | 0.001 | -0.003 | 12.035 | 0.577 | 0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | GLN | 0 | -0.015 | -0.012 | 14.070 | 1.330 | 1.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | ASP | -1 | -0.886 | -0.947 | 16.159 | -13.126 | -13.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | SER | 0 | -0.077 | -0.050 | 17.795 | 0.860 | 0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | VAL | 0 | -0.048 | -0.024 | 14.984 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | ILE | 0 | -0.036 | -0.015 | 17.758 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | ALA | 0 | -0.044 | -0.019 | 20.387 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | HIS | 1 | 0.798 | 0.898 | 20.681 | 12.389 | 12.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | PRO | 0 | 0.096 | 0.053 | 18.533 | -0.659 | -0.659 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | GLU | -1 | -0.823 | -0.910 | 17.885 | -12.765 | -12.765 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | TRP | 0 | 0.016 | -0.005 | 17.533 | -0.547 | -0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | LEU | 0 | 0.042 | 0.027 | 10.689 | -0.829 | -0.829 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | THR | 0 | 0.005 | -0.001 | 13.216 | -0.766 | -0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 55 | GLU | -1 | -0.840 | -0.901 | 15.115 | -14.201 | -14.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 56 | LEU | 0 | -0.027 | -0.006 | 11.444 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 57 | GLU | -1 | -0.813 | -0.891 | 8.259 | -24.283 | -24.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | SER | 0 | -0.084 | -0.043 | 11.587 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | GLN | 0 | -0.018 | -0.007 | 14.661 | 1.108 | 1.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | PRO | 0 | 0.003 | 0.022 | 10.464 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | PRO | 0 | -0.018 | 0.012 | 11.390 | 0.783 | 0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | GLN | 0 | -0.049 | -0.028 | 13.052 | -1.364 | -1.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | ALA | 0 | 0.012 | -0.017 | 15.024 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 64 | ASP | -1 | -0.866 | -0.935 | 16.354 | -15.032 | -15.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 65 | GLU | -1 | -0.781 | -0.867 | 17.499 | -15.990 | -15.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 66 | TRP | 0 | 0.032 | 0.000 | 19.880 | 0.977 | 0.977 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | GLN | 0 | -0.064 | -0.032 | 22.147 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 68 | HIS | 0 | 0.013 | 0.012 | 22.454 | 0.857 | 0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 69 | TYR | 0 | -0.018 | 0.007 | 18.641 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 70 | ALA | 0 | 0.042 | 0.011 | 25.329 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 71 | ALA | 0 | 0.004 | 0.006 | 28.617 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 72 | TRP | 0 | 0.002 | -0.013 | 20.540 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 73 | LEU | 0 | -0.008 | 0.010 | 27.968 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 74 | GLN | 0 | 0.010 | -0.012 | 29.495 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 75 | GLU | -1 | -0.956 | -0.968 | 30.319 | -8.847 | -8.847 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 76 | ALA | 0 | -0.027 | -0.011 | 29.182 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 77 | LEU | 0 | -0.034 | -0.032 | 31.330 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 78 | CYS | 0 | -0.013 | 0.012 | 34.523 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 79 | ASN | 0 | -0.043 | -0.021 | 35.751 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 80 | VAL | 0 | -0.036 | -0.001 | 35.010 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | SER | 0 | -0.002 | -0.007 | 38.024 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | ASP | -1 | -0.885 | -0.957 | 40.164 | -7.434 | -7.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 83 | GLU | -1 | -0.746 | -0.851 | 39.553 | -7.601 | -7.601 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 84 | ALA | 0 | -0.003 | -0.001 | 38.114 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 85 | GLY | 0 | -0.025 | -0.022 | 36.172 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 86 | LEU | 0 | 0.013 | 0.021 | 34.753 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 87 | MET | 0 | -0.041 | -0.029 | 33.966 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 88 | ARG | 1 | 0.932 | 0.991 | 31.655 | 8.224 | 8.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 89 | GLU | -1 | -0.839 | -0.927 | 28.452 | -10.723 | -10.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 90 | LEU | 0 | 0.017 | 0.003 | 28.913 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 91 | ARG | 1 | 0.729 | 0.852 | 28.073 | 8.943 | 8.943 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 92 | LEU | 0 | -0.047 | -0.010 | 25.440 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 93 | PHE | 0 | 0.030 | 0.010 | 24.352 | -0.663 | -0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 94 | ARG | 1 | 0.834 | 0.916 | 21.988 | 12.326 | 12.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 95 | ARG | 1 | 0.891 | 0.946 | 21.283 | 10.986 | 10.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 96 | ARG | 1 | 0.865 | 0.901 | 19.958 | 12.209 | 12.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 97 | ILE | 0 | 0.016 | -0.001 | 18.603 | -0.896 | -0.896 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 98 | MET | 0 | 0.014 | 0.017 | 17.939 | -1.089 | -1.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 99 | VAL | 0 | -0.010 | 0.001 | 14.469 | -1.153 | -1.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 100 | ARG | 1 | 0.776 | 0.859 | 13.839 | 15.351 | 15.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 101 | ILE | 0 | 0.004 | 0.003 | 13.374 | -1.561 | -1.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 102 | ALA | 0 | 0.033 | 0.012 | 12.743 | -1.633 | -1.633 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 103 | TRP | 0 | -0.001 | 0.017 | 8.146 | -2.931 | -2.931 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 104 | ALA | 0 | 0.011 | 0.000 | 8.446 | -3.289 | -3.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 105 | GLN | 0 | -0.056 | -0.055 | 8.907 | -2.332 | -2.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 106 | THR | 0 | -0.066 | -0.048 | 6.060 | -2.941 | -2.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 109 | LEU | 0 | -0.010 | 0.008 | 6.280 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 110 | VAL | 0 | -0.007 | 0.008 | 8.416 | 3.106 | 3.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 111 | THR | 0 | 0.017 | 0.010 | 10.259 | -1.503 | -1.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 112 | GLU | -1 | -0.734 | -0.862 | 12.354 | -20.976 | -20.976 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 113 | GLU | -1 | -0.823 | -0.891 | 13.895 | -15.890 | -15.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 114 | SER | 0 | -0.018 | -0.008 | 14.754 | 1.311 | 1.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 115 | ILE | 0 | 0.017 | 0.019 | 12.401 | 0.768 | 0.768 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 116 | LEU | 0 | -0.036 | -0.011 | 16.012 | 1.121 | 1.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 117 | GLN | 0 | 0.034 | 0.035 | 19.148 | 0.930 | 0.930 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 118 | GLN | 0 | -0.047 | -0.026 | 15.877 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 119 | LEU | 0 | 0.019 | 0.015 | 17.928 | 0.649 | 0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 120 | SER | 0 | -0.040 | -0.024 | 20.952 | 0.823 | 0.823 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 121 | TYR | 0 | 0.034 | 0.011 | 23.512 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 122 | LEU | 0 | 0.001 | 0.019 | 21.240 | 0.489 | 0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 123 | ALA | 0 | 0.034 | 0.013 | 24.365 | 0.514 | 0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 124 | GLU | -1 | -0.828 | -0.894 | 26.821 | -10.031 | -10.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | THR | 0 | -0.014 | -0.016 | 27.135 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | LEU | 0 | -0.026 | -0.010 | 26.037 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 127 | ILE | 0 | -0.009 | -0.006 | 30.037 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 128 | VAL | 0 | -0.049 | -0.010 | 32.395 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 129 | ALA | 0 | 0.055 | 0.028 | 32.725 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 130 | ALA | 0 | -0.014 | -0.004 | 34.120 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 131 | ARG | 1 | 0.799 | 0.880 | 35.859 | 8.561 | 8.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 132 | ASP | -1 | -0.831 | -0.910 | 37.483 | -8.070 | -8.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | TRP | 0 | 0.026 | 0.013 | 38.215 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | LEU | 0 | -0.002 | -0.012 | 39.288 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 135 | TYR | 0 | -0.012 | 0.003 | 41.854 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 136 | ASP | -1 | -0.840 | -0.914 | 43.498 | -6.936 | -6.936 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 137 | ALA | 0 | -0.084 | -0.037 | 43.924 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 138 | CYS | 0 | -0.040 | -0.033 | 44.974 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 139 | CYS | 0 | -0.042 | -0.025 | 47.321 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 140 | ARG | 1 | 0.889 | 0.946 | 46.534 | 6.758 | 6.758 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 141 | GLU | -1 | -0.931 | -0.918 | 48.322 | -6.418 | -6.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 142 | TRP | 0 | -0.042 | -0.046 | 47.599 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 143 | GLY | 0 | -0.017 | -0.019 | 52.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 144 | THR | 0 | -0.002 | -0.018 | 53.992 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 145 | PRO | 0 | -0.006 | -0.021 | 50.393 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 146 | CYS | 0 | 0.011 | 0.053 | 49.716 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 147 | ASN | 0 | -0.023 | -0.018 | 52.220 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 148 | ALA | 0 | 0.048 | -0.004 | 54.468 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 149 | GLN | 0 | -0.106 | -0.062 | 56.196 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 150 | GLY | 0 | -0.032 | -0.004 | 57.549 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 151 | GLU | -1 | -0.880 | -0.932 | 53.434 | -5.722 | -5.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 152 | ALA | 0 | -0.010 | -0.002 | 50.367 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 153 | GLN | 0 | 0.020 | 0.007 | 49.689 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 154 | PRO | 0 | 0.012 | 0.014 | 44.015 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 155 | LEU | 0 | 0.019 | 0.002 | 41.405 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 156 | LEU | 0 | -0.032 | -0.015 | 40.959 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 157 | ILE | 0 | 0.030 | 0.005 | 35.837 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 158 | LEU | 0 | -0.027 | -0.007 | 36.621 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 159 | GLY | 0 | 0.086 | 0.038 | 32.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 160 | MET | 0 | -0.028 | -0.019 | 33.059 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 161 | GLY | 0 | 0.043 | 0.011 | 30.693 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 162 | LYS | 1 | 0.878 | 0.917 | 23.842 | 12.604 | 12.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 163 | LEU | 0 | 0.040 | 0.037 | 26.231 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 164 | GLY | 0 | 0.026 | 0.012 | 27.950 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 165 | GLY | 0 | 0.004 | -0.011 | 27.751 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 166 | GLY | 0 | -0.044 | -0.002 | 25.728 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 167 | GLU | -1 | -0.780 | -0.877 | 22.212 | -13.010 | -13.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 168 | LEU | 0 | 0.058 | 0.014 | 22.853 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 169 | ASN | 0 | -0.056 | -0.024 | 21.149 | -0.853 | -0.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 170 | PHE | 0 | 0.019 | 0.011 | 15.466 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 171 | SER | 0 | -0.012 | -0.011 | 19.700 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 172 | SER | 0 | -0.094 | -0.072 | 22.324 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 173 | ASP | -1 | -0.850 | -0.894 | 25.724 | -10.301 | -10.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 174 | ILE | 0 | -0.050 | -0.019 | 28.452 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 175 | ASP | -1 | -0.864 | -0.935 | 30.588 | -9.628 | -9.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 176 | LEU | 0 | -0.038 | -0.030 | 32.997 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 177 | ILE | 0 | -0.020 | -0.011 | 36.001 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 178 | PHE | 0 | -0.011 | -0.004 | 37.570 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 179 | ALA | 0 | 0.000 | -0.013 | 41.654 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 180 | TRP | 0 | 0.020 | 0.009 | 44.506 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 181 | PRO | 0 | 0.039 | 0.009 | 47.296 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 182 | GLU | -1 | -0.756 | -0.860 | 49.499 | -5.706 | -5.706 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 183 | HIS | 0 | 0.012 | -0.018 | 53.142 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 184 | GLY | 0 | -0.011 | 0.001 | 55.280 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 185 | CYS | 0 | -0.050 | -0.037 | 56.319 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 186 | THR | -1 | -0.788 | -0.867 | 54.463 | -5.751 | -5.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 187 | GLN | 0 | -0.034 | -0.023 | 57.832 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 188 | GLY | 0 | -0.027 | 0.000 | 60.111 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 189 | GLY | 0 | -0.002 | -0.004 | 60.492 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | ARG | 1 | 0.826 | 0.895 | 57.768 | 5.352 | 5.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | ARG | 1 | 0.783 | 0.903 | 56.872 | 5.298 | 5.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | GLU | -1 | -0.795 | -0.871 | 56.132 | -5.532 | -5.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 193 | LEU | 0 | -0.040 | -0.032 | 54.230 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 194 | ASP | -1 | -0.796 | -0.874 | 56.025 | -5.730 | -5.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 195 | ASN | 0 | 0.026 | -0.008 | 52.435 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 196 | ALA | 0 | 0.030 | 0.022 | 51.383 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 197 | GLN | 0 | -0.089 | -0.045 | 51.181 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 198 | PHE | 0 | 0.016 | 0.002 | 47.595 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 199 | PHE | 0 | 0.057 | 0.007 | 46.192 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 200 | THR | 0 | -0.046 | -0.019 | 46.091 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 201 | ARG | 1 | 0.879 | 0.947 | 46.381 | 5.897 | 5.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 202 | MET | 0 | 0.012 | 0.019 | 41.971 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 203 | GLY | 0 | 0.024 | 0.016 | 42.022 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 204 | GLN | 0 | -0.026 | -0.015 | 41.315 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 205 | ARG | 1 | 0.795 | 0.871 | 41.486 | 6.853 | 6.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 206 | LEU | 0 | 0.027 | 0.011 | 36.476 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 207 | ILE | 0 | 0.008 | 0.003 | 36.998 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 208 | LYS | 1 | 0.874 | 0.939 | 36.465 | 7.263 | 7.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 209 | VAL | 0 | 0.023 | -0.008 | 35.500 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 210 | LEU | 0 | -0.004 | 0.009 | 31.622 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 211 | ASP | -1 | -0.889 | -0.961 | 31.968 | -9.076 | -9.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 212 | GLN | 0 | -0.028 | -0.005 | 33.297 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 213 | PRO | 0 | -0.027 | -0.011 | 32.748 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 214 | THR | 0 | -0.034 | -0.007 | 32.548 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 215 | GLN | 0 | 0.034 | 0.007 | 32.135 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 216 | ASP | -1 | -0.887 | -0.940 | 29.280 | -9.812 | -9.812 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 217 | GLY | 0 | 0.014 | 0.011 | 28.221 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 218 | PHE | 0 | 0.009 | -0.016 | 26.734 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 219 | VAL | 0 | -0.033 | 0.000 | 27.842 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 220 | TYR | 0 | 0.044 | -0.006 | 23.790 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 221 | ARG | 1 | 0.921 | 0.989 | 29.084 | 10.587 | 10.587 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 222 | VAL | 0 | 0.047 | 0.011 | 31.291 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 223 | ASP | -1 | -0.816 | -0.890 | 34.018 | -8.546 | -8.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 224 | MET | 0 | 0.021 | 0.017 | 35.618 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 225 | ARG | 1 | 0.836 | 0.907 | 36.546 | 8.655 | 8.655 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 226 | LEU | 0 | -0.033 | -0.011 | 34.799 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 227 | ARG | 1 | 0.790 | 0.883 | 39.356 | 7.341 | 7.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 228 | PRO | 0 | 0.038 | 0.014 | 42.317 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 229 | PHE | 0 | -0.024 | -0.024 | 45.727 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 230 | GLY | 0 | 0.010 | 0.028 | 43.803 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 231 | GLU | -1 | -0.944 | -0.991 | 42.966 | -7.439 | -7.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 232 | SER | 0 | -0.020 | -0.013 | 44.566 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 233 | GLY | 0 | 0.027 | 0.042 | 47.320 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 234 | PRO | 0 | 0.012 | 0.015 | 47.817 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 235 | LEU | 0 | 0.006 | 0.002 | 42.274 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 236 | VAL | 0 | -0.025 | -0.002 | 44.020 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 237 | LEU | 0 | -0.011 | -0.002 | 46.003 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 238 | SER | 0 | 0.045 | 0.035 | 47.644 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 239 | PHE | 0 | -0.017 | -0.009 | 45.208 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 240 | ALA | 0 | 0.082 | 0.053 | 49.446 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 241 | ALA | 0 | -0.006 | 0.003 | 50.916 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 242 | LEU | 0 | -0.045 | -0.027 | 44.545 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 243 | GLU | -1 | -0.880 | -0.971 | 48.250 | -6.512 | -6.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 244 | ASP | -1 | -0.896 | -0.938 | 50.009 | -5.934 | -5.934 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 245 | TYR | 0 | -0.061 | -0.052 | 45.650 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 246 | TYR | 0 | 0.000 | -0.038 | 42.448 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 247 | GLN | 0 | -0.082 | -0.029 | 48.055 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 248 | GLU | -1 | -0.976 | -0.983 | 51.197 | -5.754 | -5.754 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 249 | GLN | 0 | -0.070 | -0.041 | 50.417 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 250 | GLY | 0 | 0.002 | 0.031 | 46.829 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 251 | ARG | 1 | 0.920 | 0.946 | 44.156 | 7.086 | 7.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 252 | ASP | -1 | -0.737 | -0.859 | 42.635 | -7.331 | -7.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 253 | TRP | 0 | 0.009 | -0.021 | 36.359 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 254 | GLU | -1 | -0.785 | -0.851 | 39.289 | -7.415 | -7.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 255 | ARG | 1 | 0.833 | 0.920 | 39.926 | 6.895 | 6.895 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 256 | TYR | 0 | 0.024 | -0.001 | 32.398 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 257 | ALA | 0 | 0.021 | 0.007 | 35.414 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 258 | MET | 0 | 0.013 | 0.006 | 35.520 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 259 | VAL | 0 | -0.075 | -0.025 | 33.437 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 260 | LYS | 1 | 0.784 | 0.883 | 27.849 | 10.887 | 10.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 261 | ALA | 0 | 0.015 | 0.026 | 32.557 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 262 | ARG | 1 | 0.758 | 0.856 | 28.550 | 10.697 | 10.697 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 263 | ILE | 0 | -0.012 | 0.004 | 34.458 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 264 | MET | 0 | -0.009 | 0.009 | 29.929 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 265 | GLY | 0 | 0.007 | -0.012 | 33.253 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 266 | ASP | -1 | -0.927 | -0.959 | 34.554 | -8.330 | -8.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 267 | SER | 0 | -0.026 | -0.012 | 36.251 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 268 | GLU | -1 | -0.793 | -0.863 | 38.136 | -7.499 | -7.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 269 | GLY | 0 | 0.031 | 0.018 | 41.330 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 270 | VAL | 0 | -0.018 | -0.018 | 45.080 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 271 | TYR | 0 | 0.071 | 0.024 | 45.834 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 272 | ALA | 0 | 0.042 | 0.023 | 41.082 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 273 | ASN | 0 | -0.090 | -0.062 | 42.340 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 274 | GLU | -1 | -0.897 | -0.948 | 44.580 | -6.433 | -6.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 275 | LEU | 0 | 0.051 | 0.024 | 41.584 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 276 | ARG | 1 | 0.796 | 0.863 | 38.998 | 7.764 | 7.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 277 | ALA | 0 | -0.059 | -0.027 | 42.672 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 278 | MET | 0 | 0.007 | 0.023 | 45.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 279 | LEU | 0 | 0.020 | 0.004 | 39.944 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 280 | ARG | 1 | 0.839 | 0.949 | 41.508 | 7.433 | 7.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 281 | PRO | 0 | -0.029 | -0.031 | 43.145 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 282 | PHE | 0 | 0.008 | 0.032 | 42.761 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 283 | VAL | 0 | 0.003 | 0.000 | 38.684 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 284 | PHE | 0 | -0.007 | 0.003 | 36.440 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 285 | ARG | 1 | 0.919 | 0.950 | 42.411 | 7.363 | 7.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 286 | ARG | 1 | 0.915 | 0.947 | 45.091 | 6.756 | 6.756 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 287 | TYR | 0 | -0.022 | -0.010 | 47.394 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 288 | ILE | 0 | 0.045 | 0.029 | 44.543 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 289 | ASP | -1 | -0.789 | -0.866 | 47.871 | -6.281 | -6.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 290 | PHE | 0 | 0.033 | -0.003 | 48.372 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 291 | SER | 0 | -0.051 | -0.038 | 48.877 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 292 | VAL | 0 | 0.021 | 0.010 | 44.422 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 293 | ILE | 0 | 0.019 | 0.003 | 43.474 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 294 | GLN | 0 | 0.004 | 0.000 | 44.159 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 295 | SER | 0 | -0.034 | -0.027 | 45.325 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 296 | LEU | 0 | 0.022 | 0.002 | 39.481 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 297 | ARG | 1 | 0.854 | 0.913 | 40.620 | 7.060 | 7.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 298 | ASN | 0 | -0.040 | -0.017 | 42.009 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 299 | MET | 0 | -0.065 | -0.018 | 39.250 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 300 | LYS | 1 | 0.873 | 0.942 | 36.805 | 8.470 | 8.470 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 301 | GLY | 0 | 0.004 | -0.011 | 38.031 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 302 | MET | 0 | -0.087 | -0.037 | 39.706 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 303 | ILE | 0 | 0.091 | 0.054 | 33.388 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 304 | ALA | 0 | -0.008 | 0.000 | 35.972 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 305 | ARG | 1 | 0.893 | 0.932 | 37.291 | 7.558 | 7.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 306 | GLU | -1 | -0.874 | -0.903 | 33.830 | -9.303 | -9.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 307 | VAL | 0 | 0.096 | 0.054 | 31.874 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 308 | ARG | 1 | 0.883 | 0.934 | 34.280 | 8.063 | 8.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 309 | ARG | 1 | 0.874 | 0.958 | 36.811 | 8.315 | 8.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 310 | ARG | 0 | -0.076 | -0.059 | 30.286 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 311 | GLY | 0 | -0.013 | 0.006 | 33.931 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 312 | LEU | 0 | -0.035 | -0.024 | 28.354 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 313 | THR | 0 | -0.007 | -0.004 | 27.960 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 314 | ASP | -1 | -0.848 | -0.918 | 23.190 | -13.275 | -13.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 315 | ASN | 0 | -0.013 | -0.008 | 23.126 | -0.850 | -0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 316 | ILE | 0 | 0.056 | 0.020 | 18.434 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 317 | LYS | 1 | 0.948 | 0.989 | 22.689 | 11.401 | 11.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 318 | LEU | 0 | -0.019 | -0.019 | 25.325 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 319 | GLY | 0 | 0.058 | 0.046 | 26.722 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 320 | ALA | 0 | -0.041 | -0.031 | 27.818 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 321 | GLY | 0 | 0.003 | 0.000 | 26.705 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 322 | GLY | 0 | 0.028 | 0.024 | 24.325 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 323 | ILE | 0 | -0.010 | -0.020 | 21.171 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 324 | ARG | 0 | -0.032 | -0.033 | 24.822 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 325 | GLU | -1 | -0.803 | -0.904 | 28.091 | -10.114 | -10.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 326 | ILE | 0 | 0.005 | 0.009 | 23.149 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 327 | GLU | -1 | -0.861 | -0.922 | 26.733 | -11.575 | -11.575 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 328 | PHE | 0 | -0.029 | -0.010 | 29.011 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 329 | ILE | 0 | -0.008 | -0.012 | 29.077 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 330 | VAL | 0 | 0.003 | 0.005 | 27.887 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 331 | GLN | 0 | 0.017 | -0.006 | 31.126 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 332 | VAL | 0 | -0.003 | 0.004 | 33.810 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 333 | PHE | 0 | 0.020 | 0.001 | 32.968 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 334 | GLN | 0 | -0.061 | -0.044 | 32.329 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 335 | LEU | 0 | -0.004 | -0.010 | 36.370 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 336 | ILE | 0 | -0.056 | -0.009 | 39.267 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 337 | ARG | 1 | 0.859 | 0.901 | 38.529 | 7.892 | 7.892 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 338 | GLY | 0 | 0.082 | 0.058 | 38.728 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 339 | GLY | 0 | -0.002 | 0.010 | 39.322 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 340 | ARG | 1 | 0.735 | 0.832 | 42.455 | 6.921 | 6.921 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 341 | GLU | -1 | -0.779 | -0.858 | 38.159 | -7.880 | -7.880 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 342 | PRO | 0 | 0.003 | -0.014 | 38.312 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 343 | SER | 0 | 0.031 | 0.023 | 33.666 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 344 | LEU | 0 | -0.002 | 0.005 | 33.259 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 345 | GLN | 0 | -0.012 | -0.019 | 35.000 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 346 | SER | 0 | -0.018 | 0.004 | 29.365 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 347 | ARG | 1 | 0.953 | 0.981 | 30.771 | 9.403 | 9.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 348 | SER | 0 | 0.006 | 0.004 | 25.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 349 | LEU | 0 | -0.027 | -0.011 | 24.160 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 350 | LEU | 0 | 0.019 | 0.006 | 19.814 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 351 | PRO | 0 | 0.007 | 0.010 | 24.242 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 352 | THR | 0 | 0.005 | -0.005 | 26.763 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 353 | LEU | 0 | 0.000 | -0.009 | 24.480 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 354 | SER | 0 | -0.023 | 0.000 | 25.719 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 355 | ALA | 0 | 0.045 | 0.022 | 27.878 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 356 | ILE | 0 | -0.027 | -0.020 | 30.533 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 357 | ALA | 0 | 0.031 | 0.030 | 28.846 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 358 | GLU | -1 | -0.945 | -0.966 | 30.396 | -9.939 | -9.939 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 359 | LEU | 0 | -0.069 | -0.040 | 32.963 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 360 | HIS | 1 | 0.801 | 0.888 | 34.157 | 9.510 | 9.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 361 | LEU | 0 | -0.027 | -0.001 | 34.818 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 362 | LEU | 0 | -0.017 | 0.001 | 29.683 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 363 | SER | 0 | -0.033 | -0.038 | 31.259 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 364 | GLU | -1 | -0.879 | -0.954 | 28.380 | -10.803 | -10.803 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 365 | ASN | 0 | 0.032 | 0.014 | 26.692 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 366 | ASP | -1 | -0.797 | -0.870 | 26.183 | -10.895 | -10.895 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 367 | ALA | 0 | 0.011 | 0.006 | 26.532 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 368 | GLU | -1 | -0.946 | -0.976 | 22.678 | -13.582 | -13.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 369 | GLN | 0 | 0.013 | 0.011 | 21.782 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 370 | LEU | 0 | 0.009 | 0.001 | 21.988 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 371 | ARG | 1 | 0.828 | 0.886 | 18.014 | 15.823 | 15.823 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 372 | VAL | 0 | -0.002 | -0.005 | 16.226 | -0.747 | -0.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 373 | ALA | 0 | 0.016 | 0.007 | 17.516 | -0.926 | -0.926 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 374 | TYR | 0 | -0.004 | -0.018 | 19.267 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 375 | LEU | 0 | -0.012 | -0.010 | 15.332 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 376 | PHE | 0 | -0.004 | 0.000 | 13.372 | -1.327 | -1.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 377 | LEU | 0 | -0.018 | -0.019 | 15.559 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 378 | ARG | 1 | 0.783 | 0.883 | 17.767 | 14.985 | 14.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 379 | ARG | 1 | 0.978 | 1.006 | 6.237 | 37.139 | 37.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 380 | LEU | 0 | 0.010 | 0.003 | 13.741 | -0.722 | -0.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 381 | GLU | -1 | -0.815 | -0.926 | 14.779 | -14.051 | -14.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 382 | ASN | 0 | -0.023 | -0.017 | 15.733 | 1.168 | 1.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 383 | LEU | 0 | -0.001 | 0.007 | 9.606 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 384 | LEU | 0 | -0.009 | -0.009 | 13.389 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 385 | GLN | 0 | -0.029 | -0.007 | 16.013 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 386 | SER | 0 | -0.048 | -0.031 | 13.303 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 387 | ILE | 0 | -0.002 | 0.016 | 12.995 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 388 | ASN | 0 | -0.037 | -0.050 | 14.930 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 389 | ASP | -1 | -0.834 | -0.877 | 18.382 | -13.105 | -13.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 390 | GLU | -1 | -0.887 | -0.941 | 20.245 | -12.508 | -12.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 391 | GLN | 0 | -0.033 | -0.047 | 21.613 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 392 | THR | 0 | -0.009 | 0.010 | 20.311 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 393 | GLN | 0 | 0.024 | 0.001 | 21.856 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 394 | THR | 0 | -0.071 | -0.033 | 22.581 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 395 | LEU | 0 | -0.014 | -0.002 | 18.114 | -0.589 | -0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 396 | PRO | 0 | 0.020 | 0.031 | 16.676 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 397 | SER | 0 | 0.001 | -0.005 | 19.983 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 398 | ASP | -1 | -0.811 | -0.886 | 18.473 | -15.539 | -15.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 399 | GLU | -1 | -0.831 | -0.941 | 17.879 | -16.563 | -16.563 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 400 | LEU | 0 | -0.028 | 0.009 | 13.621 | -1.118 | -1.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 401 | ASN | 0 | 0.064 | -0.007 | 13.843 | -2.425 | -2.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 402 | ARG | 1 | 0.832 | 0.913 | 14.073 | 13.697 | 13.697 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 403 | ALA | 0 | -0.013 | -0.007 | 12.121 | -1.520 | -1.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 404 | ARG | 1 | 0.740 | 0.850 | 9.680 | 16.664 | 16.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 405 | LEU | 0 | 0.039 | 0.018 | 9.129 | -3.114 | -3.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 406 | ALA | 0 | -0.034 | -0.021 | 9.792 | -1.824 | -1.824 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 409 | MET | 0 | -0.070 | -0.035 | 6.453 | -2.354 | -2.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 412 | ALA | 0 | -0.034 | -0.015 | 7.719 | -2.890 | -2.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 413 | ASP | -1 | -0.836 | -0.931 | 10.346 | -20.355 | -20.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 414 | TRP | 0 | 0.120 | 0.049 | 13.063 | -0.713 | -0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 415 | PRO | 0 | -0.002 | 0.002 | 15.301 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 416 | GLN | 0 | -0.039 | -0.012 | 12.458 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 417 | LEU | 0 | -0.003 | 0.014 | 11.911 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 418 | THR | 0 | 0.013 | -0.007 | 14.488 | 0.861 | 0.861 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 419 | GLY | 0 | 0.022 | 0.025 | 18.257 | 0.857 | 0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 420 | ALA | 0 | 0.003 | -0.007 | 14.990 | 0.619 | 0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 421 | LEU | 0 | 0.012 | 0.016 | 16.944 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 422 | THR | 0 | -0.009 | -0.017 | 18.401 | 0.893 | 0.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 423 | ALA | 0 | -0.020 | 0.007 | 19.647 | 0.742 | 0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 424 | HIS | 0 | -0.045 | -0.029 | 15.994 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 425 | MET | 0 | 0.013 | 0.009 | 20.899 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 426 | THR | 0 | -0.034 | -0.033 | 23.680 | 0.833 | 0.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 427 | ASN | 0 | -0.002 | 0.001 | 22.524 | 1.000 | 1.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 428 | VAL | 0 | -0.003 | 0.013 | 23.993 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 429 | ARG | 1 | 0.833 | 0.894 | 26.715 | 10.429 | 10.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 430 | ARG | 1 | 0.785 | 0.893 | 27.179 | 11.525 | 11.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 431 | VAL | 0 | 0.068 | 0.035 | 28.743 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 432 | PHE | 0 | 0.011 | 0.004 | 30.808 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 433 | ASN | 0 | -0.045 | -0.025 | 32.588 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 434 | GLU | -1 | -0.909 | -0.955 | 33.975 | -9.155 | -9.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 435 | LEU | 0 | -0.023 | 0.001 | 34.108 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 436 | ILE | 0 | -0.070 | -0.046 | 36.390 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 437 | GLY | -1 | -0.825 | -0.878 | 40.005 | -7.252 | -7.252 | 0.000 | 0.000 | 0.000 | 0.000 |