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: 928Y2
Calculation Name: 3S8R-A-Xray549
Preferred Name:
Target Type:
Ligand Name: glycerol
Ligand 3-letter code: GOL
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3S8R
Chain ID: A
UniProt ID: P07662
Base Structure: X-ray
Registration Date: 2025-10-12
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 | 684 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -16936065.613533 |
|---|---|
| FMO2-HF: Nuclear repulsion | 16671845.937165 |
| FMO2-HF: Total energy | -264219.676368 |
| FMO2-MP2: Total energy | -265002.447746 |
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:6:PRO)
Summations of interaction energy for
fragment #1(A:6:PRO)
| 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. |
| -216.624 | -207.236 | 2.712 | -5.046 | -7.057 | -0.033 |
Interaction energy analysis for fragmet #1(A:6:PRO)
| 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 | 8 | ALA | 0 | 0.032 | 0.043 | 3.233 | 6.690 | 11.022 | -0.018 | -2.030 | -2.284 | -0.008 |
| 4 | A | 9 | PRO | 0 | 0.035 | 0.009 | 3.487 | -10.498 | -9.864 | 0.014 | -0.315 | -0.334 | -0.002 |
| 348 | A | 353 | ARG | 1 | 0.868 | 0.943 | 3.461 | 51.142 | 51.434 | 0.000 | -0.071 | -0.222 | 0.000 |
| 629 | A | 634 | THR | 0 | -0.099 | -0.040 | 2.324 | -8.455 | -6.675 | 2.260 | -1.352 | -2.689 | -0.007 |
| 630 | A | 635 | PRO | 0 | 0.018 | -0.012 | 2.726 | -11.321 | -8.971 | 0.456 | -1.278 | -1.528 | -0.016 |
| 5 | A | 10 | ILE | 0 | -0.016 | 0.001 | 5.399 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 11 | ALA | 0 | -0.022 | -0.018 | 6.841 | 2.168 | 2.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 12 | ALA | 0 | 0.038 | 0.027 | 10.143 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 13 | TYR | 0 | 0.008 | -0.003 | 12.897 | 0.848 | 0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 14 | LYS | 1 | 0.904 | 0.944 | 15.871 | 17.422 | 17.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 15 | PRO | 0 | -0.029 | -0.005 | 18.949 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 16 | ARG | 1 | 0.943 | 0.959 | 21.570 | 13.339 | 13.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 17 | SER | 0 | -0.052 | -0.021 | 25.238 | 0.546 | 0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 18 | ASN | 0 | 0.073 | 0.050 | 26.509 | -0.795 | -0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 19 | GLU | -1 | -0.782 | -0.884 | 24.930 | -11.568 | -11.568 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 20 | ILE | 0 | -0.018 | 0.004 | 26.389 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 21 | LEU | 0 | -0.056 | -0.021 | 22.508 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 22 | TRP | 0 | 0.030 | 0.013 | 25.349 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 23 | ASP | -1 | -0.723 | -0.858 | 23.719 | -12.378 | -12.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 24 | GLY | 0 | 0.002 | -0.011 | 26.281 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 25 | TYR | 0 | -0.039 | -0.013 | 25.823 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 26 | GLY | 0 | -0.002 | 0.005 | 28.596 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 27 | VAL | 0 | -0.027 | -0.006 | 23.244 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 28 | PRO | 0 | -0.053 | -0.005 | 25.758 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 29 | HIS | 1 | 0.825 | 0.880 | 19.991 | 13.776 | 13.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 30 | ILE | 0 | -0.039 | -0.004 | 23.280 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 31 | TYR | 0 | 0.036 | -0.001 | 18.949 | -0.895 | -0.895 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 32 | GLY | 0 | 0.031 | 0.014 | 23.836 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 33 | VAL | 0 | -0.023 | -0.038 | 24.112 | -0.561 | -0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 34 | ASP | -1 | -0.819 | -0.891 | 25.506 | -10.772 | -10.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 35 | ALA | 0 | 0.038 | 0.018 | 25.545 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 36 | PRO | 0 | 0.054 | 0.028 | 26.648 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 37 | SER | 0 | -0.021 | -0.018 | 28.047 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 38 | ALA | 0 | 0.016 | 0.001 | 25.133 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 39 | PHE | 0 | -0.020 | -0.004 | 26.846 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 40 | TYR | 0 | 0.019 | 0.014 | 29.594 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 41 | GLY | 0 | 0.023 | -0.001 | 29.353 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 42 | TYR | 0 | 0.009 | -0.008 | 27.577 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 43 | GLY | 0 | 0.025 | 0.017 | 29.566 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 44 | TRP | 0 | -0.034 | -0.026 | 33.033 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 45 | ALA | 0 | -0.002 | -0.010 | 30.154 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 46 | GLN | 0 | 0.022 | 0.000 | 30.272 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 47 | ALA | 0 | -0.032 | -0.013 | 33.391 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 48 | ARG | 1 | 0.837 | 0.884 | 32.833 | 9.288 | 9.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 49 | SER | 0 | -0.060 | -0.017 | 32.751 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 50 | HIS | 0 | 0.002 | -0.008 | 32.623 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 51 | GLY | 0 | 0.076 | 0.045 | 37.220 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 52 | ASP | -1 | -0.807 | -0.894 | 39.401 | -7.201 | -7.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 53 | ASN | 0 | 0.030 | 0.006 | 39.876 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 54 | ILE | 0 | -0.020 | 0.008 | 35.533 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 55 | LEU | 0 | 0.022 | 0.012 | 39.896 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 56 | ARG | 1 | 0.891 | 0.921 | 43.210 | 7.269 | 7.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 57 | LEU | 0 | -0.025 | -0.007 | 39.138 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 58 | TYR | 0 | -0.023 | -0.036 | 36.528 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 59 | GLY | 0 | 0.012 | 0.003 | 43.106 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 60 | GLU | -1 | -0.814 | -0.925 | 45.303 | -6.861 | -6.861 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 61 | ALA | 0 | -0.025 | -0.005 | 42.922 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 62 | ARG | 1 | 0.712 | 0.813 | 44.943 | 6.988 | 6.988 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 63 | GLY | 0 | -0.009 | -0.005 | 47.529 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 64 | LYS | 1 | 0.845 | 0.912 | 49.672 | 6.234 | 6.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 65 | GLY | 0 | 0.068 | 0.035 | 50.324 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 66 | ALA | 0 | 0.003 | 0.006 | 50.896 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 67 | GLU | -1 | -0.773 | -0.853 | 54.134 | -5.752 | -5.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 68 | TYR | 0 | -0.061 | -0.016 | 49.235 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 69 | TRP | 0 | -0.001 | -0.015 | 47.580 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 70 | GLY | 0 | 0.015 | 0.037 | 53.793 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 71 | PRO | 0 | 0.022 | -0.022 | 55.190 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 72 | ASP | -1 | -0.895 | -0.926 | 52.768 | -5.927 | -5.927 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 73 | TYR | 0 | 0.019 | 0.011 | 47.815 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 74 | GLU | -1 | -0.787 | -0.842 | 52.107 | -5.525 | -5.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 75 | GLN | 0 | 0.001 | 0.005 | 51.559 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 76 | THR | 0 | 0.008 | -0.003 | 47.038 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 77 | THR | 0 | -0.034 | -0.015 | 49.890 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 78 | VAL | 0 | 0.035 | 0.013 | 51.940 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 79 | TRP | 0 | -0.012 | 0.010 | 45.867 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 80 | LEU | 0 | 0.021 | 0.002 | 45.443 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 81 | LEU | 0 | -0.002 | 0.005 | 48.930 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 82 | THR | 0 | -0.037 | -0.030 | 51.983 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 83 | ASN | 0 | -0.037 | -0.023 | 47.788 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 84 | GLY | 0 | 0.004 | 0.006 | 48.444 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 85 | VAL | 0 | -0.027 | -0.009 | 43.885 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 86 | PRO | 0 | 0.034 | 0.011 | 45.348 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 87 | GLU | -1 | -0.878 | -0.928 | 46.555 | -6.598 | -6.598 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 88 | ARG | 1 | 0.831 | 0.900 | 43.427 | 6.942 | 6.942 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 89 | ALA | 0 | 0.021 | 0.027 | 42.115 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 90 | GLN | 0 | 0.025 | 0.012 | 42.294 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 91 | GLN | 0 | -0.085 | -0.044 | 43.887 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 92 | TRP | 0 | -0.009 | -0.018 | 37.790 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 93 | TYR | 0 | -0.056 | -0.038 | 39.009 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 94 | ALA | 0 | -0.016 | -0.010 | 39.773 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 95 | GLN | 0 | -0.057 | -0.038 | 39.828 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 96 | GLN | 0 | -0.069 | -0.031 | 34.596 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 97 | SER | 0 | -0.003 | -0.025 | 31.734 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 98 | PRO | 0 | -0.025 | -0.034 | 34.880 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 99 | ASP | -1 | -0.862 | -0.919 | 30.120 | -10.079 | -10.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 100 | PHE | 0 | -0.004 | -0.004 | 28.258 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 101 | ARG | 1 | 0.842 | 0.926 | 32.181 | 8.303 | 8.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 102 | ALA | 0 | 0.044 | 0.022 | 33.498 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 103 | ASN | 0 | 0.014 | 0.002 | 28.621 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 104 | LEU | 0 | -0.017 | -0.005 | 32.081 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 105 | ASP | -1 | -0.831 | -0.913 | 34.715 | -8.060 | -8.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 106 | ALA | 0 | -0.008 | 0.006 | 32.825 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 107 | PHE | 0 | -0.026 | 0.000 | 31.182 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 108 | ALA | 0 | 0.000 | -0.009 | 34.163 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 109 | ALA | 0 | -0.010 | -0.008 | 37.201 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 110 | GLY | 0 | 0.033 | 0.017 | 34.973 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 111 | ILE | 0 | -0.040 | -0.018 | 35.999 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 112 | ASN | 0 | -0.022 | -0.021 | 38.027 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 113 | ALA | 0 | -0.014 | 0.006 | 37.959 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 114 | TYR | 0 | -0.043 | -0.032 | 37.171 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 115 | ALA | 0 | 0.035 | 0.008 | 39.205 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 116 | GLN | 0 | -0.053 | -0.031 | 42.557 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 117 | GLN | 0 | -0.028 | -0.010 | 38.808 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 118 | ASN | 0 | -0.054 | -0.021 | 39.670 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 119 | PRO | 0 | -0.009 | -0.002 | 43.392 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 120 | ASP | -1 | -0.953 | -0.990 | 46.401 | -6.334 | -6.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 121 | ASP | -1 | -0.827 | -0.884 | 41.343 | -7.509 | -7.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 122 | ILE | 0 | -0.066 | -0.019 | 41.685 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 123 | SER | 0 | 0.015 | -0.020 | 45.004 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 124 | PRO | 0 | -0.015 | -0.034 | 47.563 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 125 | ASP | -1 | -0.850 | -0.897 | 49.353 | -6.493 | -6.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 126 | VAL | 0 | -0.005 | 0.008 | 45.357 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 127 | ARG | 1 | 0.855 | 0.939 | 47.553 | 6.408 | 6.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 128 | GLN | 0 | -0.080 | -0.046 | 48.880 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 129 | VAL | 0 | -0.052 | -0.017 | 45.619 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 130 | LEU | 0 | -0.020 | 0.029 | 43.625 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 131 | PRO | 0 | -0.023 | -0.014 | 45.244 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 132 | VAL | 0 | -0.005 | -0.008 | 40.216 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 133 | SER | 0 | -0.001 | -0.016 | 42.161 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 134 | GLY | 0 | 0.080 | 0.028 | 38.414 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 135 | ALA | 0 | 0.015 | -0.001 | 38.871 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 136 | ASP | -1 | -0.763 | -0.840 | 41.579 | -7.245 | -7.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 137 | VAL | 0 | -0.018 | 0.002 | 34.875 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 138 | VAL | 0 | 0.006 | 0.003 | 36.823 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 139 | ALA | 0 | 0.008 | 0.002 | 38.401 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 140 | HIS | 0 | -0.026 | -0.020 | 36.545 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 141 | ALA | 0 | 0.024 | 0.014 | 35.120 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 142 | HIS | 0 | -0.002 | 0.001 | 36.751 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 143 | ARG | 1 | 0.874 | 0.917 | 39.389 | 7.412 | 7.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 144 | LEU | 0 | -0.008 | 0.001 | 34.756 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 145 | MET | 0 | 0.002 | 0.002 | 32.310 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 146 | ASN | 0 | -0.007 | -0.006 | 37.141 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 147 | PHE | 0 | -0.040 | -0.020 | 40.386 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 148 | LEU | 0 | 0.043 | 0.041 | 40.220 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 149 | TYR | 0 | 0.037 | 0.010 | 34.302 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 150 | VAL | 0 | -0.024 | 0.003 | 37.866 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 151 | ALA | 0 | -0.035 | -0.018 | 40.379 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 152 | SER | 0 | -0.029 | -0.059 | 43.657 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 153 | PRO | 0 | 0.030 | 0.024 | 46.065 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 154 | GLY | 0 | 0.111 | 0.056 | 48.710 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 155 | ARG | 1 | 0.752 | 0.869 | 41.947 | 7.579 | 7.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 156 | THR | 0 | -0.039 | -0.022 | 48.930 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 157 | LEU | 0 | -0.002 | -0.014 | 51.193 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 158 | GLY | 0 | -0.064 | -0.032 | 52.463 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 159 | GLU | -1 | -0.935 | -0.961 | 53.074 | -5.818 | -5.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 160 | GLY | 0 | -0.019 | -0.004 | 49.588 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 161 | ASP | -1 | -0.781 | -0.854 | 44.671 | -7.085 | -7.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 162 | PRO | 0 | 0.029 | 0.016 | 46.297 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 163 | PRO | 0 | 0.066 | 0.020 | 44.254 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 164 | ASP | -1 | -0.924 | -0.947 | 42.422 | -7.396 | -7.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 165 | LEU | 0 | -0.027 | -0.004 | 40.713 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 166 | ALA | 0 | -0.020 | -0.017 | 40.748 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 167 | ASP | -1 | -0.918 | -0.959 | 39.559 | -7.796 | -7.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 168 | GLN | 0 | -0.059 | -0.055 | 36.051 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 169 | GLY | 0 | 0.006 | -0.017 | 33.767 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 170 | ALA | 0 | -0.035 | -0.012 | 28.184 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 171 | ASN | 0 | -0.021 | 0.008 | 26.544 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 172 | SER | 0 | -0.032 | -0.010 | 23.612 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 173 | TRP | 0 | -0.002 | -0.026 | 20.917 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 174 | ALA | 0 | 0.038 | 0.020 | 17.360 | -0.469 | -0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 175 | VAL | 0 | -0.012 | -0.004 | 15.736 | 0.956 | 0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 176 | ALA | 0 | 0.052 | 0.022 | 14.118 | -1.395 | -1.395 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 177 | PRO | 0 | 0.024 | 0.014 | 9.807 | 0.823 | 0.823 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 178 | GLY | 0 | -0.016 | -0.006 | 11.623 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 179 | LYS | 1 | 0.847 | 0.967 | 14.377 | 15.766 | 15.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 180 | THR | 0 | -0.057 | -0.044 | 11.762 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 181 | ALA | 0 | 0.039 | 0.033 | 12.959 | -0.853 | -0.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 182 | ASN | 0 | -0.118 | -0.078 | 7.593 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 183 | GLY | 0 | -0.023 | 0.007 | 7.347 | -4.672 | -4.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 184 | ASN | 0 | -0.051 | -0.042 | 5.533 | -8.006 | -8.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 185 | ALA | 0 | 0.040 | 0.027 | 8.568 | 2.856 | 2.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 186 | LEU | 0 | -0.023 | -0.007 | 11.536 | -0.884 | -0.884 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 187 | LEU | 0 | -0.011 | -0.003 | 14.158 | 0.903 | 0.903 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 188 | LEU | 0 | -0.051 | -0.012 | 16.990 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 189 | GLN | 0 | 0.001 | -0.003 | 19.745 | 0.699 | 0.699 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 190 | ASN | 0 | -0.005 | -0.007 | 22.471 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 191 | PRO | 0 | 0.032 | 0.026 | 25.854 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 192 | HIS | 0 | -0.101 | -0.038 | 28.970 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 193 | LEU | 0 | 0.005 | 0.008 | 32.463 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 194 | SER | 0 | 0.056 | 0.014 | 35.275 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 195 | TRP | 0 | -0.016 | -0.025 | 33.696 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 196 | THR | 0 | 0.008 | 0.013 | 37.868 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 197 | THR | 0 | -0.008 | -0.006 | 39.496 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 198 | ASP | -1 | -0.747 | -0.848 | 38.791 | -7.800 | -7.800 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 199 | TYR | 0 | 0.007 | -0.013 | 37.831 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 200 | PHE | 0 | -0.033 | -0.039 | 35.456 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 201 | THR | 0 | -0.033 | -0.006 | 34.545 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 202 | TYR | 0 | -0.022 | -0.027 | 29.121 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 203 | TYR | 0 | -0.011 | -0.021 | 29.703 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 204 | GLU | -1 | -0.705 | -0.819 | 22.818 | -13.512 | -13.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 205 | ALA | 0 | 0.006 | -0.003 | 24.447 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 206 | HIS | 0 | -0.021 | -0.013 | 16.827 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 207 | LEU | 0 | 0.006 | 0.014 | 21.259 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 208 | VAL | 0 | -0.003 | -0.005 | 17.906 | -0.867 | -0.867 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 209 | THR | 0 | 0.027 | 0.015 | 19.813 | 0.870 | 0.870 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 210 | PRO | 0 | -0.054 | -0.038 | 19.191 | -0.922 | -0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 211 | ASP | -1 | -0.911 | -0.939 | 18.337 | -14.966 | -14.966 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 212 | PHE | 0 | 0.029 | 0.017 | 17.740 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 213 | GLU | -1 | -0.800 | -0.908 | 13.987 | -20.551 | -20.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 214 | ILE | 0 | -0.021 | -0.004 | 17.596 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 215 | TYR | 0 | -0.012 | -0.036 | 17.618 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 216 | GLY | 0 | 0.019 | 0.020 | 19.416 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 217 | ALA | 0 | 0.021 | 0.013 | 21.961 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 218 | THR | 0 | -0.054 | -0.035 | 25.500 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 219 | GLN | 0 | 0.061 | 0.053 | 28.425 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 220 | ILE | 0 | 0.017 | 0.009 | 32.229 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 221 | GLY | 0 | 0.046 | 0.019 | 34.267 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 222 | LEU | 0 | -0.020 | 0.005 | 31.379 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 223 | PRO | 0 | 0.004 | 0.010 | 30.976 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 224 | VAL | 0 | 0.007 | 0.001 | 26.463 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 225 | ILE | 0 | -0.013 | 0.010 | 22.314 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 226 | ARG | 1 | 0.890 | 0.935 | 23.957 | 10.410 | 10.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 227 | PHE | 0 | -0.048 | -0.015 | 22.884 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 228 | ALA | 0 | 0.057 | 0.028 | 19.933 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 229 | PHE | 0 | 0.002 | -0.019 | 14.024 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 230 | ASN | 0 | 0.038 | 0.019 | 13.696 | -0.641 | -0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 231 | GLN | 0 | 0.025 | -0.007 | 8.941 | -4.076 | -4.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 232 | ARG | 1 | 0.734 | 0.851 | 8.681 | 18.487 | 18.487 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 233 | MET | 0 | 0.006 | 0.022 | 10.446 | -1.186 | -1.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 234 | GLY | 0 | 0.042 | 0.001 | 13.175 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 235 | ILE | 0 | -0.028 | -0.004 | 16.334 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 236 | THR | 0 | -0.031 | -0.013 | 19.806 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 237 | ASN | 0 | 0.001 | -0.004 | 22.687 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 238 | THR | 0 | -0.029 | -0.015 | 26.389 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 239 | VAL | 0 | 0.027 | 0.026 | 29.402 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 240 | ASN | 0 | 0.025 | 0.004 | 32.246 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 241 | GLY | 0 | -0.004 | 0.005 | 34.139 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 242 | MET | 0 | -0.022 | 0.020 | 34.666 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 243 | VAL | 0 | 0.014 | 0.019 | 37.540 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 244 | GLY | 0 | 0.037 | 0.011 | 40.052 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 245 | ALA | 0 | 0.003 | -0.002 | 40.875 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 246 | THR | 0 | -0.038 | -0.021 | 44.488 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 247 | ASN | 0 | 0.062 | 0.050 | 48.015 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 248 | TYR | 0 | -0.011 | -0.047 | 50.355 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 249 | ARG | 1 | 0.970 | 0.991 | 54.308 | 5.565 | 5.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 250 | LEU | 0 | -0.047 | -0.026 | 57.601 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 251 | THR | 0 | 0.030 | 0.018 | 60.182 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 252 | LEU | 0 | -0.006 | -0.002 | 62.913 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 253 | GLN | 0 | -0.033 | -0.038 | 65.539 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 254 | ASP | -1 | -0.844 | -0.915 | 68.242 | -4.552 | -4.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 255 | GLY | 0 | -0.009 | 0.004 | 69.017 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 256 | GLY | 0 | -0.037 | -0.025 | 65.107 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 257 | TYR | 0 | -0.007 | -0.009 | 59.570 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 258 | LEU | 0 | -0.002 | 0.013 | 64.075 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 259 | TYR | 0 | -0.021 | -0.035 | 55.934 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 260 | ASP | -1 | -0.795 | -0.862 | 60.051 | -5.389 | -5.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 261 | GLY | 0 | -0.015 | -0.004 | 63.045 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 262 | GLN | 0 | -0.064 | -0.031 | 64.382 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 263 | VAL | 0 | 0.026 | 0.018 | 65.607 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 264 | ARG | 1 | 0.912 | 0.962 | 59.335 | 5.312 | 5.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 265 | PRO | 0 | 0.032 | 0.013 | 63.213 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 266 | PHE | 0 | -0.044 | -0.030 | 60.023 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 267 | GLU | -1 | -0.886 | -0.925 | 57.253 | -5.373 | -5.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 268 | ARG | 1 | 0.833 | 0.878 | 59.853 | 4.986 | 4.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 269 | PRO | 0 | 0.022 | 0.019 | 56.435 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 270 | GLN | 0 | -0.034 | -0.022 | 59.559 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 271 | ALA | 0 | 0.008 | 0.011 | 57.537 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 272 | SER | 0 | -0.042 | -0.026 | 58.957 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 273 | TYR | 0 | -0.051 | -0.051 | 56.168 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 274 | ARG | 1 | 0.874 | 0.929 | 57.465 | 5.597 | 5.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 275 | LEU | 0 | -0.026 | -0.014 | 57.386 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 276 | ARG | 1 | 0.798 | 0.878 | 56.246 | 5.771 | 5.771 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 277 | GLN | 0 | -0.003 | -0.004 | 59.072 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 278 | ALA | 0 | 0.014 | -0.008 | 61.034 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 279 | ASP | -1 | -0.851 | -0.893 | 62.234 | -5.001 | -5.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 280 | GLY | 0 | 0.015 | 0.013 | 60.182 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 281 | THR | 0 | -0.086 | -0.058 | 60.913 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 282 | THR | 0 | 0.007 | -0.009 | 59.376 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 283 | VAL | 0 | -0.023 | 0.002 | 62.387 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 284 | ASP | -1 | -0.882 | -0.943 | 62.217 | -5.239 | -5.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 285 | LYS | 1 | 0.821 | 0.894 | 60.413 | 5.389 | 5.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 286 | PRO | 0 | -0.004 | -0.009 | 61.181 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 287 | LEU | 0 | -0.012 | -0.017 | 55.807 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 288 | GLU | -1 | -0.797 | -0.877 | 60.074 | -5.074 | -5.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 289 | ILE | 0 | -0.014 | 0.005 | 54.674 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 290 | ARG | 1 | 0.925 | 0.978 | 57.972 | 5.250 | 5.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 291 | SER | 0 | 0.026 | 0.008 | 54.969 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 292 | SER | 0 | -0.039 | -0.007 | 55.824 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 293 | VAL | 0 | -0.003 | -0.012 | 55.002 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 294 | HIS | 1 | 0.846 | 0.923 | 52.546 | 5.709 | 5.709 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 295 | GLY | 0 | 0.049 | 0.041 | 51.048 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 296 | PRO | 0 | 0.053 | 0.029 | 50.638 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 297 | VAL | 0 | -0.066 | -0.034 | 53.541 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 298 | PHE | 0 | 0.014 | 0.012 | 51.693 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 299 | GLU | -1 | -0.962 | -0.989 | 56.661 | -5.068 | -5.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 300 | ARG | 1 | 0.869 | 0.946 | 53.062 | 5.850 | 5.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 301 | ALA | 0 | 0.055 | 0.026 | 59.073 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 302 | ASP | -1 | -0.898 | -0.924 | 59.857 | -5.319 | -5.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 303 | GLY | 0 | 0.030 | 0.018 | 62.648 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 304 | THR | 0 | -0.118 | -0.083 | 59.008 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 305 | ALA | 0 | 0.014 | 0.009 | 59.747 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 306 | VAL | 0 | -0.016 | -0.019 | 53.720 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 307 | ALA | 0 | -0.029 | -0.005 | 54.537 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 308 | VAL | 0 | 0.000 | 0.008 | 48.130 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 309 | ARG | 1 | 0.800 | 0.898 | 47.389 | 6.583 | 6.583 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 310 | VAL | 0 | 0.002 | -0.008 | 42.554 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 311 | ALA | 0 | 0.004 | 0.002 | 40.950 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 312 | GLY | 0 | 0.034 | 0.001 | 39.043 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 313 | LEU | 0 | -0.033 | -0.018 | 39.675 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 314 | ASP | -1 | -0.832 | -0.919 | 41.131 | -7.812 | -7.812 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 315 | ARG | 1 | 0.738 | 0.877 | 36.123 | 8.300 | 8.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 316 | PRO | 0 | 0.071 | 0.046 | 36.880 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 317 | GLY | 0 | 0.048 | 0.034 | 33.448 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 318 | MET | 0 | -0.036 | -0.007 | 31.647 | -0.521 | -0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 319 | LEU | 0 | 0.010 | -0.017 | 30.387 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 320 | GLU | -1 | -0.783 | -0.860 | 28.725 | -10.616 | -10.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 321 | GLN | 0 | 0.031 | 0.016 | 27.310 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 322 | TYR | 0 | -0.012 | -0.036 | 25.261 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 323 | PHE | 0 | -0.005 | -0.003 | 24.029 | -0.552 | -0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 324 | ASP | -1 | -0.740 | -0.839 | 22.851 | -12.858 | -12.858 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 325 | MET | 0 | -0.077 | -0.035 | 21.487 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 326 | ILE | 0 | -0.063 | -0.032 | 19.575 | -0.788 | -0.788 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 327 | THR | 0 | -0.047 | -0.042 | 18.376 | -0.814 | -0.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 328 | ALA | 0 | 0.003 | 0.030 | 17.983 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 329 | ASP | -1 | -0.847 | -0.924 | 14.973 | -20.016 | -20.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 330 | SER | 0 | -0.086 | -0.075 | 14.073 | -1.512 | -1.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 331 | PHE | 0 | 0.021 | -0.005 | 15.737 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 332 | ASP | -1 | -0.865 | -0.934 | 17.288 | -15.205 | -15.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 333 | ASP | -1 | -0.861 | -0.900 | 18.881 | -15.141 | -15.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 334 | TYR | 0 | -0.036 | -0.013 | 19.075 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 335 | GLU | -1 | -0.823 | -0.903 | 20.857 | -12.703 | -12.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 336 | ALA | 0 | -0.009 | -0.005 | 23.372 | 0.715 | 0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 337 | ALA | 0 | -0.033 | -0.016 | 23.724 | 0.604 | 0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 338 | LEU | 0 | -0.017 | -0.021 | 24.502 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 339 | ALA | 0 | 0.003 | -0.011 | 26.534 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 340 | ARG | 1 | 0.786 | 0.882 | 26.770 | 11.906 | 11.906 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 341 | MET | 0 | -0.064 | 0.002 | 31.007 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 342 | GLN | 0 | 0.032 | -0.008 | 31.861 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 343 | VAL | 0 | 0.005 | 0.019 | 28.885 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 344 | PRO | 0 | 0.014 | 0.006 | 32.136 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 345 | THR | 0 | -0.021 | -0.018 | 33.387 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 346 | PHE | 0 | 0.038 | 0.016 | 29.711 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 347 | ASN | 0 | -0.005 | 0.017 | 28.080 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 348 | ILE | 0 | -0.009 | -0.009 | 23.470 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 349 | VAL | 0 | -0.020 | -0.010 | 20.497 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 350 | TYR | 0 | -0.030 | -0.037 | 14.791 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 351 | ALA | 0 | 0.022 | -0.004 | 13.964 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 352 | ASP | -1 | -0.734 | -0.830 | 11.513 | -23.677 | -23.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 354 | GLU | -1 | -0.882 | -0.936 | 6.973 | -36.361 | -36.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 355 | GLY | 0 | -0.037 | -0.016 | 9.312 | 0.591 | 0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 356 | THR | 0 | -0.059 | -0.023 | 10.847 | 2.396 | 2.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 357 | ILE | 0 | -0.035 | -0.019 | 14.405 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 358 | ASN | 0 | 0.022 | -0.011 | 17.033 | 0.881 | 0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 359 | TYR | 0 | -0.021 | -0.021 | 20.555 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 360 | SER | 0 | 0.030 | 0.018 | 23.913 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 361 | PHE | 0 | 0.012 | 0.000 | 26.840 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 362 | ASN | 0 | 0.001 | -0.021 | 28.663 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 363 | GLY | 0 | 0.016 | 0.001 | 30.691 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 364 | VAL | 0 | -0.041 | -0.012 | 33.863 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 365 | ALA | 0 | 0.054 | 0.018 | 36.819 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 366 | PRO | 0 | -0.047 | -0.019 | 38.823 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 367 | LYS | 1 | 0.864 | 0.943 | 40.595 | 7.674 | 7.674 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 368 | ARG | 1 | 0.811 | 0.899 | 42.157 | 7.514 | 7.514 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 369 | ALA | 0 | 0.023 | 0.014 | 46.656 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 370 | GLU | -1 | -0.818 | -0.868 | 49.383 | -5.835 | -5.835 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 371 | GLY | 0 | 0.040 | 0.028 | 49.449 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 372 | ASP | -1 | -0.849 | -0.924 | 46.418 | -6.776 | -6.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 373 | ILE | 0 | 0.041 | 0.006 | 40.902 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 374 | ALA | 0 | -0.018 | -0.004 | 44.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 375 | PHE | 0 | -0.045 | -0.026 | 47.830 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 376 | TRP | 0 | -0.055 | -0.053 | 46.011 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 377 | GLN | 0 | -0.027 | -0.002 | 42.483 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 378 | GLY | 0 | -0.006 | 0.013 | 47.222 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 379 | LEU | 0 | -0.067 | -0.037 | 51.050 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 380 | VAL | 0 | 0.012 | 0.022 | 50.592 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 381 | PRO | 0 | -0.003 | -0.003 | 53.856 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 382 | GLY | 0 | 0.012 | 0.001 | 56.255 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 383 | ASP | -1 | -0.927 | -0.969 | 57.468 | -5.329 | -5.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 384 | SER | 0 | -0.018 | -0.019 | 58.246 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 385 | SER | 0 | -0.047 | -0.057 | 55.936 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 386 | ARG | 1 | 0.828 | 0.893 | 54.447 | 5.546 | 5.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 387 | TYR | 0 | -0.009 | -0.014 | 52.465 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 388 | LEU | 0 | -0.058 | -0.010 | 51.536 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 389 | TRP | 0 | 0.045 | 0.027 | 44.809 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 390 | THR | 0 | -0.009 | -0.021 | 47.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 391 | GLU | -1 | -0.839 | -0.898 | 43.198 | -7.285 | -7.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 392 | THR | 0 | 0.002 | 0.001 | 39.016 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 393 | HIS | 0 | -0.047 | -0.038 | 36.805 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 394 | PRO | 0 | -0.003 | 0.014 | 34.100 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 395 | LEU | 0 | 0.085 | 0.012 | 26.730 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 396 | ASP | -1 | -0.931 | -0.967 | 29.716 | -10.682 | -10.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 397 | ASP | -1 | -0.867 | -0.909 | 31.892 | -8.449 | -8.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 398 | LEU | 0 | -0.048 | -0.023 | 31.773 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 399 | PRO | 0 | -0.051 | -0.021 | 31.604 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 400 | ARG | 1 | 0.811 | 0.885 | 23.907 | 12.184 | 12.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 401 | VAL | 0 | -0.035 | -0.018 | 23.339 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 402 | THR | 0 | 0.063 | 0.027 | 19.539 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 403 | ASN | 0 | -0.007 | 0.013 | 16.188 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 404 | PRO | 0 | 0.020 | 0.029 | 19.132 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 405 | PRO | 0 | 0.015 | -0.016 | 20.877 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 406 | GLY | 0 | 0.011 | 0.024 | 22.258 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 407 | GLY | 0 | 0.002 | 0.003 | 18.588 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 408 | PHE | 0 | -0.008 | -0.016 | 18.066 | -0.737 | -0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 409 | VAL | 0 | -0.007 | 0.011 | 20.306 | 0.697 | 0.697 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 410 | GLN | 0 | -0.041 | -0.037 | 22.239 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 411 | ASN | 0 | -0.015 | 0.006 | 25.009 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 412 | SER | 0 | 0.046 | 0.003 | 27.637 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 413 | ASN | 0 | -0.020 | 0.001 | 30.306 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 414 | ASP | -1 | -0.830 | -0.905 | 31.329 | -9.901 | -9.901 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 415 | PRO | 0 | 0.021 | 0.007 | 33.225 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 416 | PRO | 0 | 0.054 | 0.047 | 31.918 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 417 | TRP | 0 | -0.060 | -0.057 | 32.155 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 418 | THR | 0 | 0.005 | -0.004 | 31.122 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 419 | PRO | 0 | 0.014 | 0.041 | 27.005 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 420 | THR | 0 | -0.007 | -0.023 | 23.518 | -0.519 | -0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 421 | TRP | 0 | -0.020 | 0.000 | 25.655 | 0.726 | 0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 422 | PRO | 0 | 0.021 | 0.000 | 25.894 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 423 | VAL | 0 | 0.008 | 0.000 | 27.564 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 424 | THR | 0 | 0.012 | -0.002 | 25.896 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 425 | TYR | 0 | -0.058 | -0.022 | 29.160 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 426 | THR | 0 | -0.098 | -0.070 | 32.750 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 427 | PRO | 0 | 0.032 | -0.014 | 36.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 428 | LYS | 1 | 0.908 | 0.964 | 38.509 | 8.038 | 8.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 429 | ASP | -1 | -0.840 | -0.889 | 36.130 | -8.563 | -8.563 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 430 | PHE | 0 | 0.031 | 0.014 | 32.642 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 431 | PRO | 0 | 0.015 | 0.012 | 38.545 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 432 | SER | 0 | 0.026 | 0.009 | 40.722 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 433 | TYR | 0 | -0.043 | -0.057 | 41.540 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 434 | LEU | 0 | -0.033 | 0.004 | 36.254 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 435 | ALA | 0 | 0.036 | 0.003 | 36.550 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 436 | PRO | 0 | 0.014 | 0.026 | 38.299 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 437 | GLN | 0 | -0.011 | -0.011 | 39.362 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 438 | THR | 0 | 0.029 | 0.012 | 40.856 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 439 | PRO | 0 | 0.014 | -0.009 | 39.941 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 440 | HIS | 1 | 0.852 | 0.959 | 34.104 | 8.978 | 8.978 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 441 | SER | 0 | 0.087 | 0.048 | 35.747 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 442 | LEU | 0 | 0.029 | 0.009 | 35.827 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 443 | ARG | 1 | 0.839 | 0.934 | 31.052 | 9.687 | 9.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 444 | ALA | 0 | 0.045 | 0.020 | 31.410 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 445 | GLN | 0 | -0.101 | -0.048 | 31.395 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 446 | GLN | 0 | 0.040 | 0.017 | 30.393 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 447 | SER | 0 | 0.003 | 0.004 | 27.454 | -0.496 | -0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 448 | VAL | 0 | 0.000 | -0.003 | 26.847 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 449 | ARG | 1 | 0.777 | 0.895 | 27.515 | 9.180 | 9.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 450 | LEU | 0 | -0.032 | -0.009 | 25.398 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 451 | MET | 0 | -0.007 | 0.014 | 20.957 | -0.811 | -0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 452 | SER | 0 | -0.061 | -0.058 | 23.026 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 453 | GLU | -1 | -0.873 | -0.933 | 24.941 | -10.468 | -10.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 454 | ASN | 0 | -0.052 | -0.015 | 22.096 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 455 | ASP | -1 | -0.869 | -0.961 | 19.900 | -15.905 | -15.905 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 456 | ASP | -1 | -0.911 | -0.955 | 16.003 | -18.517 | -18.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 457 | LEU | 0 | -0.026 | -0.004 | 16.346 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 458 | THR | 0 | 0.034 | -0.006 | 13.574 | -1.084 | -1.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 459 | LEU | 0 | 0.026 | 0.011 | 12.598 | 1.074 | 1.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 460 | GLU | -1 | -0.740 | -0.855 | 14.293 | -19.254 | -19.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 461 | ARG | 1 | 0.876 | 0.946 | 17.491 | 14.293 | 14.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 462 | PHE | 0 | 0.027 | 0.003 | 17.134 | 0.880 | 0.880 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 463 | MET | 0 | -0.015 | -0.013 | 18.218 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 464 | ALA | 0 | -0.015 | -0.012 | 20.575 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 465 | LEU | 0 | -0.057 | -0.017 | 21.218 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 466 | GLN | 0 | 0.003 | -0.012 | 22.675 | 0.553 | 0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 467 | LEU | 0 | -0.012 | -0.004 | 24.599 | 0.517 | 0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 468 | SER | 0 | -0.039 | -0.023 | 27.199 | 0.546 | 0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 469 | HIS | 0 | -0.030 | -0.036 | 29.408 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 470 | ARG | 1 | 0.820 | 0.889 | 33.062 | 8.904 | 8.904 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 471 | ALA | 0 | 0.029 | 0.015 | 34.980 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 472 | VAL | 0 | 0.026 | 0.013 | 35.254 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 473 | MET | 0 | -0.018 | -0.012 | 38.357 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 474 | ALA | 0 | 0.008 | 0.025 | 41.544 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 475 | ASP | -1 | -0.785 | -0.875 | 38.442 | -8.001 | -8.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 476 | ARG | 1 | 0.740 | 0.870 | 37.405 | 8.295 | 8.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 477 | THR | 0 | -0.021 | -0.029 | 43.537 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 478 | LEU | 0 | 0.010 | 0.006 | 44.807 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 479 | PRO | 0 | -0.045 | -0.019 | 45.422 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 480 | ASP | -1 | -0.783 | -0.880 | 48.328 | -6.333 | -6.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 481 | LEU | 0 | -0.018 | -0.017 | 50.296 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 482 | ILE | 0 | 0.001 | 0.013 | 48.472 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 483 | PRO | 0 | -0.013 | -0.017 | 51.947 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 484 | ALA | 0 | -0.001 | 0.006 | 55.135 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 485 | ALA | 0 | 0.015 | -0.004 | 54.907 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 486 | LEU | 0 | -0.055 | -0.031 | 54.497 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 487 | ILE | 0 | -0.052 | -0.011 | 58.190 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 488 | ASP | -1 | -0.797 | -0.860 | 60.403 | -5.074 | -5.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 489 | PRO | 0 | -0.005 | -0.014 | 62.115 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 490 | ASP | -1 | -0.854 | -0.917 | 61.962 | -5.139 | -5.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 491 | PRO | 0 | 0.001 | -0.013 | 61.312 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 492 | GLU | -1 | -0.785 | -0.869 | 58.043 | -5.587 | -5.587 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 493 | VAL | 0 | -0.022 | -0.012 | 57.293 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 494 | GLN | 0 | -0.033 | -0.027 | 56.474 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 495 | ALA | 0 | -0.035 | -0.014 | 56.026 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 496 | ALA | 0 | 0.028 | 0.006 | 53.058 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 497 | ALA | 0 | -0.003 | -0.005 | 51.827 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 498 | ARG | 1 | 0.911 | 0.948 | 51.514 | 5.467 | 5.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 499 | LEU | 0 | -0.023 | 0.004 | 48.530 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 500 | LEU | 0 | -0.005 | -0.014 | 47.273 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 501 | ALA | 0 | -0.058 | -0.029 | 46.703 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 502 | ALA | 0 | -0.038 | -0.019 | 46.759 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 503 | TRP | 0 | -0.054 | -0.005 | 40.331 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 504 | ASP | -1 | -0.809 | -0.918 | 38.078 | -8.154 | -8.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 505 | ARG | 1 | 0.852 | 0.910 | 38.867 | 7.303 | 7.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 506 | GLU | -1 | -0.771 | -0.852 | 34.172 | -9.464 | -9.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 507 | PHE | 0 | -0.054 | -0.025 | 36.428 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 508 | THR | 0 | 0.062 | 0.011 | 35.385 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 509 | SER | 0 | 0.007 | -0.034 | 37.083 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 510 | ASP | -1 | -0.901 | -0.927 | 38.962 | -7.818 | -7.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 511 | SER | 0 | -0.005 | 0.005 | 40.619 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 512 | ARG | 1 | 0.879 | 0.919 | 42.341 | 6.563 | 6.563 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 513 | ALA | 0 | 0.023 | 0.015 | 45.046 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 514 | ALA | 0 | -0.004 | 0.011 | 41.999 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 515 | LEU | 0 | 0.011 | 0.012 | 43.982 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 516 | LEU | 0 | 0.017 | 0.012 | 46.447 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 517 | PHE | 0 | -0.002 | -0.003 | 43.412 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 518 | GLU | -1 | -0.737 | -0.837 | 42.757 | -7.332 | -7.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 519 | GLU | -1 | -0.784 | -0.895 | 46.151 | -6.410 | -6.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 520 | TRP | 0 | -0.022 | -0.020 | 47.219 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 521 | ALA | 0 | 0.006 | 0.005 | 45.627 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 522 | ARG | 1 | 0.827 | 0.906 | 45.339 | 6.869 | 6.869 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 523 | LEU | 0 | -0.104 | -0.044 | 49.057 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 524 | PHE | 0 | -0.047 | -0.017 | 47.415 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 525 | ALA | 0 | -0.005 | -0.002 | 46.090 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 526 | GLY | 0 | 0.014 | 0.018 | 47.430 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 527 | GLN | 0 | 0.074 | 0.009 | 47.623 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 528 | ASN | 0 | 0.034 | 0.032 | 44.085 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 529 | PHE | 0 | -0.018 | -0.018 | 42.551 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 530 | ALA | 0 | 0.035 | 0.020 | 42.995 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 531 | GLY | 0 | -0.024 | -0.005 | 44.190 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 532 | GLN | 0 | 0.001 | -0.036 | 43.713 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 533 | ALA | 0 | -0.011 | -0.005 | 48.051 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 534 | GLY | 0 | 0.057 | 0.041 | 50.772 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 535 | PHE | 0 | -0.010 | -0.015 | 44.428 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 536 | ALA | 0 | -0.064 | -0.019 | 49.606 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 537 | THR | 0 | -0.060 | -0.022 | 45.925 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 538 | PRO | 0 | 0.043 | 0.013 | 46.771 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 539 | TRP | 0 | -0.006 | -0.027 | 37.318 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 540 | SER | 0 | -0.001 | -0.001 | 42.026 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 541 | LEU | 0 | 0.016 | 0.006 | 35.941 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 542 | ASP | -1 | -0.864 | -0.930 | 37.684 | -7.889 | -7.889 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 543 | LYS | 1 | 0.881 | 0.934 | 38.451 | 7.372 | 7.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 544 | PRO | 0 | 0.059 | 0.060 | 34.558 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 545 | VAL | 0 | 0.076 | 0.033 | 32.193 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 546 | SER | 0 | -0.037 | -0.025 | 35.604 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 547 | THR | 0 | -0.048 | 0.014 | 38.756 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 548 | PRO | 0 | 0.034 | 0.016 | 40.267 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 549 | TYR | 0 | -0.034 | -0.027 | 42.897 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 550 | GLY | 0 | 0.063 | 0.044 | 45.306 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 551 | VAL | 0 | -0.046 | -0.035 | 48.502 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 552 | ARG | 1 | 0.909 | 0.956 | 51.477 | 5.942 | 5.942 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 553 | ASP | -1 | -0.845 | -0.926 | 53.998 | -5.345 | -5.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 554 | PRO | 0 | 0.015 | -0.012 | 54.880 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 555 | LYS | 1 | 0.946 | 0.983 | 56.440 | 5.090 | 5.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 556 | ALA | 0 | 0.046 | 0.022 | 57.897 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 557 | ALA | 0 | 0.019 | 0.011 | 53.478 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 558 | VAL | 0 | 0.018 | 0.019 | 55.011 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 559 | ASP | -1 | -0.840 | -0.912 | 57.304 | -5.204 | -5.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 560 | GLN | 0 | -0.010 | -0.002 | 53.849 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 561 | LEU | 0 | 0.004 | 0.005 | 52.193 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 562 | ARG | 1 | 0.772 | 0.843 | 55.117 | 5.195 | 5.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 563 | THR | 0 | -0.042 | -0.026 | 56.911 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 564 | ALA | 0 | 0.009 | 0.013 | 52.237 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 565 | ILE | 0 | 0.012 | 0.031 | 53.948 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 566 | ALA | 0 | -0.020 | -0.007 | 55.727 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 567 | ASN | 0 | 0.000 | -0.003 | 53.566 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 568 | THR | 0 | 0.001 | -0.012 | 50.282 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 569 | LYS | 1 | 0.832 | 0.908 | 52.840 | 5.434 | 5.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 570 | ARG | 1 | 0.852 | 0.924 | 55.741 | 5.594 | 5.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 571 | LYS | 1 | 0.842 | 0.928 | 49.422 | 6.427 | 6.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 572 | TYR | 0 | 0.040 | 0.008 | 47.667 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 573 | GLY | 0 | 0.023 | 0.025 | 51.847 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 574 | ALA | 0 | -0.046 | -0.027 | 52.781 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 575 | ILE | 0 | -0.004 | -0.022 | 52.632 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 576 | ASP | -1 | -0.837 | -0.912 | 49.858 | -6.251 | -6.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 577 | ARG | 1 | 0.760 | 0.865 | 47.912 | 6.376 | 6.376 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 578 | PRO | 0 | 0.007 | -0.003 | 44.162 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 579 | PHE | 0 | 0.027 | 0.012 | 38.399 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 580 | GLY | 0 | 0.029 | 0.020 | 40.417 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 581 | ASP | -1 | -0.925 | -0.940 | 41.220 | -6.763 | -6.763 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 582 | ALA | 0 | 0.057 | 0.025 | 44.662 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 583 | SER | 0 | -0.027 | -0.016 | 40.835 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 584 | ARG | 1 | 0.809 | 0.906 | 40.714 | 7.356 | 7.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 585 | MET | 0 | 0.004 | -0.001 | 33.685 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 586 | ILE | 0 | -0.014 | -0.005 | 38.812 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 587 | LEU | 0 | -0.017 | 0.009 | 36.101 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 588 | ASN | 0 | -0.039 | -0.026 | 39.525 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 589 | ASP | -1 | -0.888 | -0.942 | 41.717 | -7.430 | -7.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 590 | VAL | 0 | -0.033 | -0.003 | 36.782 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 591 | ASN | 0 | 0.039 | 0.020 | 40.076 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 592 | VAL | 0 | 0.005 | 0.000 | 35.763 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 593 | PRO | 0 | -0.019 | -0.006 | 36.985 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 594 | GLY | 0 | 0.044 | 0.020 | 36.762 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 595 | ALA | 0 | -0.007 | -0.004 | 34.075 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 596 | ALA | 0 | -0.014 | -0.014 | 32.942 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 597 | GLY | 0 | 0.037 | 0.020 | 35.077 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 598 | TYR | 0 | 0.026 | 0.011 | 36.331 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 599 | GLY | 0 | 0.046 | 0.028 | 35.518 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 600 | ASN | 0 | -0.077 | -0.053 | 36.151 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 601 | LEU | 0 | -0.007 | -0.003 | 39.102 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 602 | GLY | 0 | -0.028 | -0.029 | 35.953 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 603 | SER | 0 | -0.053 | -0.021 | 33.816 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 604 | PHE | 0 | 0.024 | 0.002 | 25.566 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 605 | ARG | 1 | 0.954 | 0.999 | 28.913 | 10.371 | 10.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 606 | VAL | 0 | -0.018 | -0.014 | 30.380 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 607 | PHE | 0 | 0.000 | -0.002 | 32.012 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 608 | THR | 0 | -0.037 | -0.012 | 36.254 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 609 | TRP | 0 | -0.028 | -0.016 | 37.379 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 610 | SER | 0 | 0.015 | 0.009 | 41.715 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 611 | ASP | -1 | -0.918 | -0.963 | 45.019 | -6.524 | -6.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 612 | PRO | 0 | -0.083 | -0.032 | 48.138 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 613 | ASP | -1 | -0.765 | -0.874 | 49.366 | -6.288 | -6.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 614 | GLU | -1 | -0.896 | -0.958 | 51.655 | -5.934 | -5.934 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 615 | ASN | 0 | -0.103 | -0.044 | 51.089 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 616 | GLY | 0 | -0.010 | -0.003 | 50.952 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 617 | VAL | 0 | -0.061 | -0.035 | 45.579 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 618 | ARG | 1 | 0.768 | 0.855 | 42.318 | 7.380 | 7.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 619 | THR | 0 | 0.026 | 0.016 | 41.479 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 620 | PRO | 0 | -0.038 | -0.020 | 37.069 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 621 | VAL | 0 | 0.040 | 0.027 | 39.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 622 | HIS | 0 | -0.001 | -0.003 | 35.925 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 623 | GLY | 0 | 0.019 | 0.011 | 34.437 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 624 | GLU | -1 | -0.758 | -0.863 | 28.210 | -11.189 | -11.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 625 | THR | 0 | 0.006 | 0.018 | 30.017 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 626 | TRP | 0 | 0.020 | -0.011 | 21.318 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 627 | VAL | 0 | -0.052 | -0.029 | 23.750 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 628 | ALA | 0 | 0.031 | 0.016 | 19.624 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 629 | MET | 0 | -0.046 | -0.001 | 17.609 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 630 | ILE | 0 | 0.005 | 0.000 | 12.816 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 631 | GLU | -1 | -0.734 | -0.852 | 8.624 | -29.588 | -29.588 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 632 | PHE | 0 | -0.021 | -0.008 | 8.897 | -1.052 | -1.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 633 | SER | 0 | -0.011 | -0.022 | 5.168 | -2.515 | -2.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 636 | VAL | 0 | -0.018 | 0.040 | 6.030 | -1.455 | -1.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 637 | ARG | 1 | 0.780 | 0.875 | 8.898 | 25.638 | 25.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 638 | ALA | 0 | 0.044 | 0.018 | 11.150 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 639 | TYR | 0 | -0.017 | -0.008 | 14.522 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 640 | GLY | 0 | 0.051 | 0.006 | 18.222 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 641 | LEU | 0 | -0.080 | -0.035 | 21.699 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 642 | MET | 0 | -0.013 | 0.019 | 25.457 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 643 | SER | 0 | -0.051 | -0.055 | 28.380 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 644 | TYR | 0 | -0.010 | 0.002 | 31.377 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 645 | GLY | 0 | 0.018 | 0.021 | 31.404 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 646 | ASN | 0 | -0.024 | -0.030 | 27.952 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 647 | SER | 0 | -0.051 | -0.041 | 30.952 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 648 | ARG | 1 | 0.862 | 0.913 | 34.491 | 8.558 | 8.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 649 | GLN | 0 | 0.035 | 0.041 | 38.047 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 650 | PRO | 0 | 0.020 | -0.005 | 40.196 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 651 | GLY | 0 | -0.001 | 0.006 | 42.745 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 652 | THR | 0 | -0.025 | -0.004 | 36.326 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 653 | THR | 0 | 0.009 | -0.009 | 35.894 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 654 | HIS | 1 | 0.805 | 0.907 | 31.722 | 9.580 | 9.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 655 | TYR | 0 | 0.057 | 0.031 | 33.724 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 656 | SER | 0 | 0.056 | 0.013 | 35.416 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 657 | ASP | -1 | -0.802 | -0.897 | 31.722 | -9.874 | -9.874 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 658 | GLN | 0 | 0.072 | 0.038 | 27.591 | -0.625 | -0.625 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 659 | ILE | 0 | 0.039 | 0.025 | 30.761 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 660 | GLU | -1 | -0.810 | -0.866 | 32.313 | -9.602 | -9.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 661 | ARG | 1 | 0.875 | 0.918 | 24.162 | 11.904 | 11.904 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 662 | VAL | 0 | 0.030 | 0.019 | 28.965 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 663 | SER | 0 | -0.094 | -0.054 | 30.234 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 664 | ARG | 1 | 0.730 | 0.811 | 28.698 | 10.272 | 10.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 665 | ALA | 0 | -0.021 | -0.001 | 26.589 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 666 | ASP | -1 | -0.816 | -0.866 | 25.333 | -12.279 | -12.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 667 | PHE | 0 | 0.016 | -0.003 | 21.534 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 668 | ARG | 1 | 0.753 | 0.855 | 22.118 | 12.529 | 12.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 669 | GLU | -1 | -0.874 | -0.938 | 14.329 | -20.083 | -20.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 670 | LEU | 0 | -0.083 | -0.030 | 17.026 | 0.758 | 0.758 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 671 | LEU | 0 | -0.024 | -0.014 | 15.838 | -1.118 | -1.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 672 | LEU | 0 | 0.039 | 0.017 | 13.223 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 673 | ARG | 1 | 0.879 | 0.947 | 9.295 | 24.243 | 24.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 674 | ARG | 1 | 0.755 | 0.872 | 13.820 | 14.856 | 14.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 675 | GLU | -1 | -0.809 | -0.927 | 12.696 | -20.494 | -20.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 676 | GLN | 0 | -0.067 | -0.042 | 13.644 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 677 | VAL | 0 | -0.010 | 0.004 | 17.240 | 0.879 | 0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 678 | GLU | -1 | -0.889 | -0.944 | 19.761 | -13.403 | -13.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 679 | ALA | 0 | -0.053 | -0.018 | 20.031 | 0.610 | 0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 680 | ALA | 0 | -0.006 | 0.004 | 21.550 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 681 | VAL | 0 | -0.066 | -0.023 | 23.235 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 682 | GLN | 0 | -0.082 | -0.034 | 25.676 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 683 | GLU | -1 | -0.808 | -0.873 | 29.345 | -9.058 | -9.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 684 | ARG | 1 | 0.900 | 0.950 | 25.231 | 10.982 | 10.982 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 685 | THR | 0 | 0.012 | 0.015 | 30.161 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 686 | PRO | 0 | 0.007 | 0.002 | 30.883 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 687 | PHE | 0 | -0.045 | -0.017 | 28.551 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 688 | ASN | 0 | -0.045 | -0.039 | 32.891 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 689 | PHE | -1 | -0.886 | -0.930 | 33.180 | -8.640 | -8.640 | 0.000 | 0.000 | 0.000 | 0.000 |