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: 1YR9Z
Calculation Name: 6OC6-A-Xray547
Preferred Name:
Target Type:
Ligand Name: pyrroloquinoline quinone | lanthanum (iii) ion
Ligand 3-letter code: PQQ | LA
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 6OC6
Chain ID: A
UniProt ID: C5B120
Base Structure: X-ray
Registration Date: 2025-10-04
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 576 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -13045400.259248 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12825091.180561 |
| FMO2-HF: Total energy | -220309.078687 |
| FMO2-MP2: Total energy | -220954.593003 |
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:22:ASN)
Summations of interaction energy for
fragment #1(A:22:ASN)
| 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. |
| -80.835 | -77.122 | 46.728 | -22.622 | -27.818 | -0.161 |
Interaction energy analysis for fragmet #1(A:22:ASN)
| 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 | 24 | SER | 0 | 0.042 | -0.004 | 2.041 | -4.842 | -4.120 | 7.800 | -3.273 | -5.249 | 0.028 |
| 4 | A | 25 | VAL | 0 | -0.017 | 0.004 | 2.206 | 0.245 | 2.252 | 1.682 | -1.198 | -2.490 | -0.008 |
| 5 | A | 26 | LEU | 0 | 0.007 | -0.001 | 4.081 | 7.617 | 8.057 | 0.001 | -0.103 | -0.338 | 0.000 |
| 21 | A | 42 | TYR | 0 | -0.002 | -0.038 | 2.044 | -12.638 | -12.568 | 4.592 | -2.260 | -2.402 | -0.026 |
| 113 | A | 135 | ALA | 0 | -0.015 | -0.025 | 1.898 | -10.533 | -10.440 | 2.442 | -1.080 | -1.456 | -0.004 |
| 114 | A | 136 | ASP | -1 | -0.820 | -0.890 | 1.739 | -67.530 | -75.224 | 22.724 | -8.327 | -6.703 | -0.075 |
| 115 | A | 137 | GLY | 0 | 0.008 | 0.016 | 3.218 | 5.339 | 5.334 | 0.108 | 0.098 | -0.201 | -0.001 |
| 157 | A | 179 | PRO | 0 | 0.027 | 0.029 | 3.540 | -0.835 | -0.438 | 0.011 | -0.092 | -0.316 | 0.000 |
| 158 | A | 180 | VAL | 0 | -0.021 | 0.007 | 2.637 | -26.005 | -23.599 | 0.873 | -1.734 | -1.545 | -0.015 |
| 159 | A | 181 | LYS | 1 | 0.792 | 0.878 | 2.316 | 33.854 | 34.233 | 3.213 | -1.242 | -2.349 | -0.015 |
| 160 | A | 182 | ASP | -1 | -0.810 | -0.900 | 2.458 | -64.178 | -60.561 | 3.092 | -3.073 | -3.636 | -0.043 |
| 161 | A | 183 | LYS | 1 | 0.833 | 0.904 | 4.554 | 40.303 | 40.368 | -0.001 | -0.005 | -0.059 | 0.000 |
| 162 | A | 184 | VAL | 0 | 0.000 | -0.011 | 4.834 | -10.186 | -10.059 | -0.001 | -0.005 | -0.121 | 0.000 |
| 182 | A | 204 | LEU | 0 | -0.023 | -0.023 | 2.858 | 0.341 | 1.243 | 0.194 | -0.315 | -0.781 | -0.002 |
| 183 | A | 205 | LYS | 1 | 0.836 | 0.925 | 4.361 | 46.228 | 46.334 | -0.001 | -0.010 | -0.096 | 0.000 |
| 240 | A | 263 | TYR | 0 | -0.017 | -0.032 | 4.785 | -1.831 | -1.750 | -0.001 | -0.003 | -0.076 | 0.000 |
| 6 | A | 27 | LYS | 1 | 0.840 | 0.905 | 6.302 | 32.971 | 32.971 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 28 | GLY | 0 | 0.062 | 0.036 | 7.139 | 3.039 | 3.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 29 | VAL | 0 | -0.017 | 0.004 | 7.651 | 2.001 | 2.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 30 | ALA | 0 | -0.078 | -0.043 | 9.886 | 2.962 | 2.962 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 31 | ASN | 0 | 0.004 | -0.005 | 11.671 | 2.487 | 2.487 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 32 | PRO | 0 | -0.006 | -0.004 | 13.487 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 33 | ALA | 0 | 0.015 | 0.019 | 16.003 | 0.635 | 0.635 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 34 | GLU | -1 | -0.873 | -0.928 | 11.162 | -23.624 | -23.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 35 | GLN | 0 | 0.026 | 0.001 | 12.315 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 36 | VAL | 0 | 0.016 | 0.008 | 7.007 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 37 | LEU | 0 | -0.015 | -0.012 | 6.082 | -3.458 | -3.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 38 | GLN | 0 | 0.043 | 0.019 | 10.037 | 3.139 | 3.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 39 | THR | 0 | -0.028 | -0.031 | 10.432 | 1.350 | 1.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 40 | VAL | 0 | -0.013 | 0.012 | 12.689 | 0.887 | 0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 41 | ASP | -1 | -0.778 | -0.873 | 9.686 | -25.592 | -25.592 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 43 | ALA | 0 | 0.008 | 0.019 | 8.616 | 0.894 | 0.894 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 44 | ASN | 0 | -0.045 | -0.031 | 11.580 | 2.810 | 2.810 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 45 | THR | 0 | -0.022 | -0.042 | 13.853 | 1.839 | 1.839 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 46 | ARG | 1 | 0.825 | 0.894 | 15.409 | 18.729 | 18.729 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 47 | TYR | 0 | 0.040 | 0.026 | 16.866 | 1.405 | 1.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 48 | SER | 0 | 0.016 | -0.002 | 16.711 | -1.059 | -1.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 49 | LYS | 1 | 0.891 | 0.924 | 13.605 | 22.036 | 22.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 50 | LEU | 0 | -0.007 | 0.021 | 19.552 | 0.610 | 0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 51 | ASP | -1 | -0.904 | -0.968 | 22.109 | -11.890 | -11.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 52 | GLN | 0 | 0.011 | -0.001 | 24.686 | 0.912 | 0.912 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 53 | ILE | 0 | -0.032 | 0.000 | 25.867 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 54 | ASN | 0 | 0.003 | -0.015 | 27.413 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 55 | ALA | 0 | 0.014 | 0.003 | 29.948 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 56 | SER | 0 | -0.032 | -0.007 | 32.639 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 57 | ASN | 0 | -0.043 | -0.043 | 31.347 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 58 | VAL | 0 | 0.054 | 0.031 | 30.329 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 59 | LYS | 1 | 0.927 | 0.967 | 32.775 | 8.085 | 8.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 60 | ASN | 0 | -0.047 | -0.023 | 35.598 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 61 | LEU | 0 | -0.042 | -0.007 | 29.077 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 62 | GLN | 0 | 0.018 | 0.002 | 32.612 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 63 | VAL | 0 | -0.006 | -0.008 | 31.102 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 64 | ALA | 0 | -0.043 | -0.011 | 28.493 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 65 | TRP | 0 | 0.008 | -0.015 | 22.753 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 66 | THR | 0 | -0.007 | -0.005 | 28.636 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 67 | PHE | 0 | 0.048 | 0.019 | 23.757 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 68 | SER | 0 | -0.024 | -0.005 | 27.507 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 69 | THR | 0 | 0.015 | -0.022 | 24.319 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 70 | GLY | 0 | 0.007 | 0.014 | 26.438 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 71 | VAL | 0 | -0.041 | -0.004 | 26.127 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 72 | LEU | 0 | -0.003 | 0.003 | 28.998 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 73 | ARG | 1 | 0.876 | 0.910 | 29.029 | 9.893 | 9.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 74 | GLY | 0 | 0.085 | 0.028 | 27.975 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 75 | HIS | 0 | -0.080 | -0.031 | 24.570 | -0.692 | -0.692 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 76 | GLU | -1 | -0.775 | -0.882 | 21.976 | -13.757 | -13.757 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 77 | GLY | 0 | 0.027 | 0.016 | 18.767 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 78 | SER | 0 | -0.054 | -0.041 | 16.776 | 0.787 | 0.787 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 79 | PRO | 0 | 0.022 | 0.013 | 16.793 | -0.804 | -0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 80 | LEU | 0 | -0.060 | -0.016 | 10.372 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 81 | VAL | 0 | 0.001 | -0.007 | 13.498 | 1.391 | 1.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 82 | VAL | 0 | 0.009 | 0.003 | 9.055 | -1.432 | -1.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 83 | GLY | 0 | -0.012 | -0.006 | 12.334 | 0.796 | 0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 84 | ASN | 0 | -0.048 | -0.035 | 14.668 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 85 | ILE | 0 | -0.029 | -0.005 | 14.889 | 0.825 | 0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 86 | MET | 0 | 0.020 | 0.022 | 15.304 | -0.862 | -0.862 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 87 | TYR | 0 | -0.020 | -0.038 | 12.696 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 88 | VAL | 0 | -0.001 | -0.004 | 16.007 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 89 | HIS | 0 | -0.015 | 0.011 | 17.296 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 90 | THR | 0 | 0.015 | -0.003 | 19.222 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 91 | PRO | 0 | 0.062 | 0.046 | 21.950 | -0.687 | -0.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 92 | PHE | 0 | 0.015 | 0.024 | 24.539 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 93 | PRO | 0 | -0.003 | 0.002 | 25.281 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 94 | ASN | 0 | -0.048 | -0.044 | 20.002 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 95 | ILE | 0 | -0.007 | 0.007 | 20.317 | -0.611 | -0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 96 | VAL | 0 | -0.003 | -0.008 | 15.371 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 97 | TYR | 0 | -0.033 | -0.030 | 18.830 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 98 | ALA | 0 | 0.011 | 0.013 | 16.556 | -0.840 | -0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 99 | LEU | 0 | -0.022 | -0.016 | 18.180 | 0.821 | 0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 100 | ASP | -1 | -0.786 | -0.893 | 19.522 | -13.825 | -13.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 101 | LEU | 0 | -0.005 | -0.006 | 19.380 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 102 | ASP | -1 | -0.839 | -0.921 | 21.360 | -12.740 | -12.740 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 103 | GLN | 0 | -0.103 | -0.055 | 23.436 | 1.048 | 1.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 104 | GLY | 0 | 0.010 | 0.003 | 25.726 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 105 | ALA | 0 | -0.002 | -0.002 | 23.624 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 106 | LYS | 1 | 0.900 | 0.959 | 24.708 | 11.163 | 11.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 107 | ILE | 0 | -0.004 | -0.004 | 22.420 | -0.515 | -0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 108 | VAL | 0 | -0.052 | -0.022 | 19.802 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 109 | TRP | 0 | -0.026 | -0.008 | 13.677 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 110 | LYS | 1 | 0.822 | 0.894 | 20.177 | 11.399 | 11.399 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 111 | TYR | 0 | -0.003 | 0.009 | 18.055 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 112 | GLU | -1 | -0.769 | -0.888 | 20.021 | -11.622 | -11.622 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 113 | PRO | 0 | -0.013 | 0.009 | 20.276 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 114 | LYS | 1 | 0.947 | 0.964 | 22.954 | 12.117 | 12.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 115 | GLN | 0 | -0.050 | -0.030 | 22.610 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 116 | ASP | -1 | -0.809 | -0.886 | 26.190 | -9.735 | -9.735 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 117 | PRO | 0 | 0.013 | -0.011 | 29.474 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 118 | SER | 0 | -0.020 | -0.025 | 31.748 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 119 | VAL | 0 | -0.030 | -0.025 | 26.041 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 120 | ILE | 0 | -0.024 | -0.009 | 29.511 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 121 | PRO | 0 | -0.029 | -0.018 | 30.997 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 122 | VAL | 0 | -0.014 | 0.008 | 29.220 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 123 | MET | 0 | -0.065 | -0.005 | 24.990 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 124 | CYS | 0 | -0.016 | -0.002 | 28.155 | 0.602 | 0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 126 | ASP | -1 | -0.664 | -0.805 | 28.539 | -11.279 | -11.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 127 | THR | 0 | -0.012 | -0.024 | 27.485 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 128 | VAL | 0 | -0.036 | -0.015 | 23.944 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 129 | ASN | 0 | -0.019 | -0.037 | 18.405 | -0.857 | -0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 130 | ARG | 1 | 0.821 | 0.901 | 17.577 | 15.479 | 15.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 131 | GLY | 0 | 0.000 | 0.008 | 16.317 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 132 | LEU | 0 | -0.040 | -0.014 | 12.130 | -0.790 | -0.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 133 | ALA | 0 | 0.013 | 0.006 | 7.695 | -0.628 | -0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 134 | TYR | 0 | 0.019 | 0.014 | 5.837 | 1.526 | 1.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 138 | ALA | 0 | -0.013 | -0.007 | 5.835 | 3.843 | 3.843 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 139 | ILE | 0 | -0.024 | -0.016 | 6.815 | -3.174 | -3.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 140 | LEU | 0 | -0.037 | -0.017 | 5.933 | 0.946 | 0.946 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 141 | LEU | 0 | 0.046 | 0.013 | 9.936 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 142 | HIS | 0 | -0.012 | -0.013 | 13.718 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 143 | GLN | 0 | -0.011 | -0.017 | 15.892 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 144 | ALA | 0 | 0.077 | 0.042 | 19.388 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 145 | ASP | -1 | -0.779 | -0.870 | 22.111 | -14.002 | -14.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 146 | THR | 0 | -0.034 | -0.006 | 20.295 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 147 | THR | 0 | -0.045 | -0.043 | 18.062 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 148 | LEU | 0 | 0.011 | 0.030 | 11.533 | -0.540 | -0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 149 | VAL | 0 | -0.025 | -0.024 | 14.137 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 150 | SER | 0 | 0.001 | 0.016 | 8.833 | -1.254 | -1.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 151 | LEU | 0 | 0.008 | 0.003 | 10.919 | 1.905 | 1.905 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 152 | ASP | -1 | -0.793 | -0.886 | 10.545 | -22.001 | -22.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 153 | ALA | 0 | 0.033 | 0.010 | 9.483 | 1.265 | 1.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 154 | LYS | 1 | 0.853 | 0.943 | 11.273 | 21.747 | 21.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 155 | SER | 0 | -0.035 | -0.033 | 14.606 | 1.188 | 1.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 156 | GLY | 0 | 0.040 | 0.027 | 15.096 | 0.840 | 0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 157 | LYS | 1 | 0.827 | 0.904 | 14.710 | 17.941 | 17.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 158 | VAL | 0 | 0.052 | 0.025 | 14.357 | -1.221 | -1.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 159 | ASN | 0 | -0.037 | -0.012 | 9.964 | 2.406 | 2.406 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 160 | TRP | 0 | -0.017 | 0.003 | 8.911 | 1.394 | 1.394 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 161 | SER | 0 | 0.002 | -0.007 | 14.181 | -0.679 | -0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 162 | VAL | 0 | 0.006 | 0.009 | 15.121 | 0.745 | 0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 163 | LYS | 1 | 0.835 | 0.917 | 17.746 | 13.478 | 13.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 164 | ASN | 0 | 0.040 | 0.030 | 17.531 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 165 | GLY | 0 | 0.048 | 0.009 | 19.320 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 166 | ASP | -1 | -0.832 | -0.871 | 22.966 | -11.191 | -11.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 167 | PRO | 0 | 0.033 | 0.015 | 25.355 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 168 | SER | 0 | -0.076 | -0.060 | 28.165 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 169 | LYS | 1 | 0.846 | 0.897 | 29.345 | 11.009 | 11.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 170 | GLY | 0 | 0.044 | 0.027 | 29.986 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 171 | GLU | -1 | -0.917 | -0.944 | 24.613 | -13.032 | -13.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 172 | THR | 0 | 0.009 | -0.003 | 24.255 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 173 | ASN | 0 | -0.056 | -0.058 | 17.566 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 174 | THR | 0 | 0.026 | 0.021 | 20.589 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 175 | ALA | 0 | 0.017 | 0.027 | 16.318 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 176 | THR | 0 | 0.032 | 0.028 | 11.657 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 177 | VAL | 0 | -0.037 | -0.020 | 9.049 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 178 | LEU | 0 | 0.005 | 0.003 | 6.678 | -1.313 | -1.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 185 | ILE | 0 | -0.005 | 0.005 | 7.501 | 4.288 | 4.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 186 | VAL | 0 | -0.008 | -0.013 | 9.797 | -0.684 | -0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 187 | GLY | 0 | 0.077 | 0.037 | 13.020 | 0.702 | 0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 188 | ILE | 0 | -0.072 | -0.025 | 16.456 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 189 | SER | 0 | 0.033 | -0.001 | 20.095 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 190 | GLY | 0 | 0.110 | 0.028 | 23.387 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 191 | GLY | 0 | 0.001 | 0.014 | 26.874 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 192 | GLU | -1 | -0.789 | -0.893 | 28.393 | -10.775 | -10.775 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 193 | PHE | 0 | -0.003 | 0.002 | 29.976 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 194 | GLY | 0 | 0.013 | 0.020 | 31.382 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 195 | VAL | 0 | -0.004 | 0.007 | 25.354 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 196 | GLN | 0 | -0.012 | 0.001 | 25.948 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 197 | CYS | 0 | -0.107 | -0.034 | 22.514 | -1.154 | -1.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 198 | HIS | 0 | 0.015 | 0.001 | 19.248 | -0.670 | -0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 199 | VAL | 0 | 0.003 | 0.034 | 14.360 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 200 | THR | 0 | -0.047 | -0.013 | 14.679 | 1.141 | 1.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 201 | ALA | 0 | 0.013 | 0.024 | 10.291 | -1.739 | -1.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 202 | TYR | 0 | -0.018 | -0.041 | 10.421 | 2.908 | 2.908 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 203 | ASP | -1 | -0.809 | -0.910 | 9.151 | -32.268 | -32.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 206 | SER | 0 | -0.044 | -0.026 | 9.146 | 2.602 | 2.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 207 | GLY | 0 | 0.053 | 0.023 | 11.332 | 1.733 | 1.733 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 208 | LYS | 1 | 0.940 | 0.965 | 12.888 | 18.128 | 18.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 209 | LYS | 1 | 0.965 | 0.988 | 13.418 | 14.416 | 14.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 210 | VAL | 0 | -0.051 | -0.022 | 11.307 | 0.830 | 0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 211 | TRP | 0 | -0.018 | -0.008 | 11.031 | 2.177 | 2.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 212 | ARG | 1 | 0.804 | 0.892 | 15.227 | 15.403 | 15.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 213 | GLY | 0 | 0.052 | 0.041 | 16.930 | 0.831 | 0.831 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 214 | TYR | 0 | 0.013 | -0.009 | 18.415 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 215 | SER | 0 | -0.080 | -0.048 | 21.550 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 216 | ILE | 0 | -0.003 | 0.000 | 22.821 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 217 | GLY | 0 | 0.064 | 0.026 | 26.039 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 218 | PRO | 0 | -0.004 | 0.002 | 28.304 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 219 | ASP | -1 | -0.758 | -0.904 | 26.446 | -11.566 | -11.566 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 220 | ASP | -1 | -0.891 | -0.948 | 24.670 | -12.324 | -12.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 221 | GLN | 0 | 0.014 | 0.001 | 23.102 | -0.781 | -0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 222 | LEU | 0 | -0.059 | 0.001 | 22.095 | -0.741 | -0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 223 | ILE | 0 | -0.020 | 0.006 | 17.625 | -0.951 | -0.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 224 | VAL | 0 | 0.025 | 0.000 | 20.163 | -0.696 | -0.696 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 225 | ASP | -1 | -0.772 | -0.880 | 22.776 | -12.136 | -12.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 226 | PRO | 0 | -0.001 | 0.007 | 24.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 227 | GLU | -1 | -0.815 | -0.902 | 27.707 | -9.733 | -9.733 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 228 | LYS | 1 | 0.771 | 0.877 | 23.804 | 12.626 | 12.626 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 229 | THR | 0 | -0.017 | -0.014 | 21.922 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 230 | THR | 0 | -0.017 | -0.010 | 23.663 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 231 | SER | 0 | 0.010 | -0.010 | 24.595 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 232 | LEU | 0 | -0.026 | -0.007 | 27.065 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 233 | GLY | 0 | 0.010 | 0.002 | 27.676 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 234 | LYS | 1 | 0.867 | 0.950 | 29.076 | 10.208 | 10.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 235 | PRO | 0 | 0.024 | 0.004 | 28.011 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 236 | ILE | 0 | -0.033 | -0.006 | 25.447 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 237 | GLY | 0 | -0.042 | -0.008 | 29.352 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 238 | LYS | 1 | 0.838 | 0.881 | 30.243 | 9.431 | 9.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 239 | ASP | -1 | -0.900 | -0.950 | 31.057 | -9.524 | -9.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 240 | SER | 0 | -0.073 | -0.025 | 27.971 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 241 | SER | 0 | -0.017 | -0.016 | 27.848 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 242 | LEU | 0 | 0.066 | 0.033 | 29.945 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 243 | LYS | 1 | 0.945 | 0.982 | 32.851 | 9.696 | 9.696 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 244 | THR | 0 | -0.125 | -0.064 | 32.463 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 245 | TRP | 0 | 0.025 | 0.002 | 30.019 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 246 | GLU | -1 | -0.880 | -0.935 | 35.432 | -7.658 | -7.658 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 247 | GLY | 0 | -0.004 | -0.008 | 38.411 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 248 | ASP | -1 | -0.814 | -0.912 | 34.968 | -9.433 | -9.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 249 | GLN | 0 | 0.014 | 0.016 | 34.803 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 250 | TRP | 0 | 0.038 | 0.022 | 29.283 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 251 | LYS | 1 | 0.816 | 0.891 | 30.046 | 9.163 | 9.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 252 | THR | 0 | -0.016 | 0.000 | 30.762 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 253 | GLY | 0 | 0.030 | 0.010 | 30.333 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 254 | GLY | 0 | 0.014 | 0.010 | 27.777 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 255 | GLY | 0 | 0.005 | -0.006 | 25.347 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 257 | THR | 0 | 0.017 | -0.016 | 17.741 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 258 | TRP | 0 | -0.043 | -0.038 | 17.920 | -1.456 | -1.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 259 | GLY | 0 | 0.045 | 0.038 | 18.725 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 260 | TRP | 0 | -0.042 | -0.033 | 14.700 | -1.655 | -1.655 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 261 | PHE | 0 | -0.021 | -0.017 | 11.207 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 262 | SER | 0 | -0.004 | -0.004 | 10.667 | -1.782 | -1.782 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 264 | ASP | -1 | -0.734 | -0.861 | 9.350 | -23.258 | -23.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 265 | PRO | 0 | -0.028 | -0.020 | 6.638 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 266 | LYS | 1 | 0.830 | 0.911 | 8.557 | 21.484 | 21.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 267 | LEU | 0 | -0.044 | -0.017 | 11.968 | 1.887 | 1.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 268 | ASP | -1 | -0.844 | -0.910 | 9.115 | -29.922 | -29.922 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 269 | LEU | 0 | -0.004 | -0.002 | 10.797 | 1.141 | 1.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 270 | MET | 0 | -0.049 | -0.019 | 9.313 | -1.514 | -1.514 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 271 | TYR | 0 | 0.010 | -0.020 | 11.130 | 1.822 | 1.822 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 272 | TYR | 0 | 0.003 | 0.002 | 13.818 | -1.470 | -1.470 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 273 | GLY | 0 | 0.079 | 0.038 | 16.293 | 0.752 | 0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 274 | SER | 0 | -0.102 | -0.075 | 19.798 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 275 | GLY | 0 | 0.018 | 0.004 | 22.214 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 276 | ASN | 0 | 0.043 | -0.023 | 25.122 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 277 | PRO | 0 | -0.059 | -0.017 | 28.484 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 278 | SER | 0 | -0.068 | -0.049 | 30.136 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 279 | THR | 0 | 0.027 | 0.021 | 32.029 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 280 | TRP | 0 | 0.002 | -0.016 | 32.177 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 281 | ASN | 0 | -0.010 | -0.011 | 36.313 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 282 | PRO | 0 | 0.000 | 0.005 | 38.095 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 283 | LYS | 1 | 0.966 | 0.993 | 39.104 | 7.108 | 7.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 284 | GLN | 0 | -0.073 | -0.048 | 39.660 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 285 | ARG | 1 | 0.776 | 0.903 | 34.038 | 9.240 | 9.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 286 | PRO | 0 | 0.027 | 0.019 | 37.899 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 287 | GLY | 0 | 0.012 | 0.003 | 37.401 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 288 | ASP | -1 | -0.757 | -0.880 | 33.168 | -9.480 | -9.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 289 | ASN | 0 | 0.011 | 0.026 | 32.318 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 290 | LYS | 1 | 0.867 | 0.968 | 28.726 | 10.038 | 10.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 291 | TRP | 0 | 0.019 | 0.012 | 24.705 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 292 | SER | 0 | 0.080 | 0.036 | 24.714 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 293 | MET | 0 | -0.044 | 0.048 | 26.294 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 294 | THR | 0 | -0.045 | -0.043 | 22.668 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 295 | ILE | 0 | 0.002 | 0.004 | 19.697 | -0.691 | -0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 296 | TRP | 0 | -0.022 | -0.014 | 17.982 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 297 | ALA | 0 | 0.021 | 0.014 | 15.841 | -0.906 | -0.906 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 298 | ARG | 1 | 0.813 | 0.881 | 13.919 | 18.583 | 18.583 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 299 | ASN | 0 | 0.023 | 0.027 | 11.768 | -1.821 | -1.821 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 300 | PRO | 0 | -0.013 | -0.015 | 7.337 | 0.512 | 0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 301 | ASP | -1 | -0.826 | -0.887 | 8.957 | -34.448 | -34.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 302 | THR | 0 | -0.023 | -0.031 | 10.650 | 1.581 | 1.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 303 | GLY | 0 | 0.033 | 0.025 | 13.249 | 1.319 | 1.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 304 | MET | 0 | -0.001 | 0.009 | 14.834 | 0.981 | 0.981 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 305 | ALA | 0 | 0.025 | 0.018 | 16.535 | -0.993 | -0.993 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 306 | LYS | 1 | 0.892 | 0.974 | 17.736 | 16.217 | 16.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 307 | TRP | 0 | -0.043 | -0.025 | 18.727 | 0.907 | 0.907 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 308 | VAL | 0 | 0.014 | 0.007 | 20.335 | -0.749 | -0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 309 | TYR | 0 | -0.018 | -0.026 | 22.877 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 310 | GLN | 0 | 0.026 | 0.022 | 25.035 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 311 | MET | 0 | -0.071 | -0.002 | 23.746 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 312 | THR | 0 | 0.027 | 0.006 | 28.677 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 313 | PRO | 0 | -0.059 | -0.025 | 31.226 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 314 | HIS | 1 | 0.781 | 0.880 | 32.621 | 8.808 | 8.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 315 | ASP | -1 | -0.760 | -0.892 | 32.092 | -9.713 | -9.713 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 316 | GLU | -1 | -0.788 | -0.857 | 34.114 | -8.011 | -8.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 317 | TRP | 0 | -0.008 | -0.011 | 34.770 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 318 | ASP | -1 | -0.766 | -0.887 | 31.258 | -10.638 | -10.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 319 | PHE | 0 | -0.025 | -0.026 | 30.476 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 320 | ASP | -1 | -0.805 | -0.921 | 25.325 | -12.558 | -12.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 321 | GLY | 0 | 0.025 | 0.005 | 24.666 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 322 | ILE | 0 | -0.071 | -0.030 | 20.889 | -0.750 | -0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 323 | ASN | 0 | -0.060 | -0.042 | 19.756 | -1.168 | -1.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 324 | GLU | -1 | -0.727 | -0.870 | 16.916 | -15.749 | -15.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 325 | MET | 0 | -0.047 | 0.017 | 15.710 | 1.150 | 1.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 326 | ILE | 0 | 0.022 | 0.024 | 15.618 | -1.390 | -1.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 327 | LEU | 0 | -0.058 | -0.021 | 12.434 | 0.896 | 0.896 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 328 | THR | 0 | -0.003 | -0.023 | 16.331 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 329 | ASP | -1 | -0.783 | -0.860 | 17.327 | -17.924 | -17.924 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 330 | GLN | 0 | 0.044 | 0.026 | 20.189 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 331 | LYS | 1 | 0.929 | 0.967 | 23.990 | 11.377 | 11.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 332 | PHE | 0 | 0.033 | 0.020 | 27.167 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 333 | ASP | -1 | -0.909 | -0.958 | 28.763 | -9.252 | -9.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 334 | GLY | 0 | 0.008 | 0.013 | 32.065 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 335 | LYS | 1 | 0.924 | 0.961 | 26.094 | 11.474 | 11.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 336 | ASP | -1 | -0.935 | -0.976 | 22.821 | -13.433 | -13.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 337 | ARG | 1 | 0.769 | 0.865 | 23.260 | 11.887 | 11.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 338 | PRO | 0 | 0.026 | 0.029 | 18.013 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 339 | LEU | 0 | 0.012 | 0.002 | 19.730 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 340 | LEU | 0 | 0.008 | 0.007 | 17.106 | -1.253 | -1.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 341 | THR | 0 | -0.010 | 0.005 | 19.720 | 1.142 | 1.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 342 | HIS | 1 | 0.763 | 0.858 | 20.467 | 13.694 | 13.694 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 343 | PHE | 0 | 0.009 | 0.015 | 22.547 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 344 | ASP | -1 | -0.747 | -0.861 | 24.650 | -12.665 | -12.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 345 | ARG | 1 | 0.851 | 0.930 | 26.502 | 11.738 | 11.738 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 346 | ASN | 0 | 0.029 | -0.006 | 28.530 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 347 | GLY | 0 | 0.064 | 0.031 | 30.217 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 348 | PHE | 0 | -0.067 | -0.031 | 30.592 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 349 | GLY | 0 | 0.006 | -0.005 | 27.331 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 350 | TYR | 0 | -0.014 | -0.010 | 25.267 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 351 | THR | 0 | -0.018 | -0.031 | 24.362 | -0.671 | -0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 352 | LEU | 0 | -0.006 | -0.002 | 22.351 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 353 | ASP | -1 | -0.782 | -0.886 | 22.171 | -14.075 | -14.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 354 | ARG | 1 | 0.703 | 0.803 | 14.848 | 19.048 | 19.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 355 | ALA | 0 | 0.012 | 0.018 | 17.956 | -0.964 | -0.964 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 356 | THR | 0 | -0.048 | -0.042 | 19.546 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 357 | GLY | 0 | 0.051 | 0.029 | 22.262 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 358 | GLU | -1 | -0.940 | -0.958 | 23.309 | -10.462 | -10.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 359 | VAL | 0 | 0.003 | -0.005 | 25.849 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 360 | LEU | 0 | -0.066 | -0.019 | 26.080 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 361 | VAL | 0 | -0.007 | -0.006 | 28.480 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 362 | ALA | 0 | 0.026 | 0.006 | 28.832 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 363 | GLU | -1 | -0.853 | -0.901 | 30.985 | -8.680 | -8.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 364 | LYS | 1 | 0.805 | 0.913 | 31.825 | 8.087 | 8.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 365 | PHE | 0 | -0.018 | -0.020 | 28.444 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 366 | ASP | -1 | -0.769 | -0.879 | 32.410 | -8.807 | -8.807 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 367 | PRO | 0 | -0.044 | -0.024 | 35.395 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 368 | VAL | 0 | -0.017 | -0.017 | 38.763 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 369 | VAL | 0 | -0.022 | 0.005 | 34.607 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 370 | ASN | 0 | -0.027 | -0.024 | 37.887 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 371 | TRP | 0 | 0.012 | 0.006 | 33.363 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 372 | ALA | 0 | 0.039 | 0.032 | 37.027 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 373 | THR | 0 | -0.025 | -0.010 | 39.158 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 374 | LYS | 1 | 0.869 | 0.921 | 35.904 | 8.736 | 8.736 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 375 | VAL | 0 | 0.026 | 0.024 | 31.890 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 376 | ASP | -1 | -0.789 | -0.848 | 35.149 | -8.236 | -8.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 377 | LEU | 0 | 0.019 | -0.011 | 31.552 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 378 | ASP | -1 | -0.897 | -0.939 | 35.201 | -8.155 | -8.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 379 | LYS | 1 | 0.930 | 0.948 | 33.200 | 9.437 | 9.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 380 | GLY | 0 | -0.001 | 0.011 | 36.796 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 381 | SER | 0 | -0.012 | -0.018 | 38.917 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 382 | LYS | 1 | 0.867 | 0.925 | 40.121 | 7.752 | 7.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 383 | THR | 0 | -0.050 | -0.061 | 38.289 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 384 | TYR | 0 | -0.028 | 0.008 | 31.283 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 385 | GLY | 0 | 0.038 | 0.004 | 31.920 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 386 | ARG | 1 | 0.846 | 0.902 | 31.946 | 8.793 | 8.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 387 | PRO | 0 | 0.021 | 0.015 | 33.117 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 388 | LEU | 0 | -0.050 | -0.018 | 35.870 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 389 | VAL | 0 | 0.007 | 0.007 | 37.959 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 390 | VAL | 0 | -0.043 | -0.016 | 40.307 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 391 | SER | 0 | 0.030 | 0.008 | 43.362 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 392 | LYS | 1 | 0.922 | 0.963 | 45.644 | 6.667 | 6.667 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 393 | TYR | 0 | -0.001 | -0.009 | 41.891 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 394 | SER | 0 | -0.030 | -0.008 | 41.330 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 395 | THR | 0 | 0.011 | -0.013 | 39.895 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 396 | GLU | -1 | -0.867 | -0.929 | 41.516 | -7.745 | -7.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 397 | GLN | 0 | -0.067 | -0.059 | 43.406 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 398 | ASN | 0 | -0.076 | -0.026 | 45.602 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 399 | GLY | 0 | -0.012 | 0.000 | 46.210 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 400 | GLU | -1 | -0.809 | -0.887 | 44.767 | -7.355 | -7.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 401 | ASP | -1 | -0.919 | -0.975 | 46.686 | -6.686 | -6.686 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 402 | VAL | 0 | -0.032 | 0.002 | 47.662 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 403 | ASN | 0 | -0.011 | -0.008 | 45.838 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 404 | SER | 0 | 0.014 | 0.010 | 43.854 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 405 | LYS | 1 | 0.892 | 0.933 | 44.567 | 6.497 | 6.497 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 406 | GLY | 0 | 0.006 | 0.007 | 44.820 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 407 | ILE | 0 | -0.035 | -0.004 | 38.843 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 408 | CYS | 0 | -0.060 | 0.004 | 37.399 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 409 | PRO | 0 | 0.031 | 0.005 | 33.359 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 410 | ALA | 0 | 0.043 | -0.012 | 35.901 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 411 | ALA | 0 | 0.069 | 0.027 | 33.757 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 412 | LEU | 0 | -0.022 | -0.005 | 30.723 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 413 | GLY | 0 | 0.024 | 0.007 | 30.124 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 414 | THR | 0 | -0.009 | -0.005 | 31.041 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 415 | LYS | 1 | 0.789 | 0.901 | 21.933 | 14.044 | 14.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 416 | ASP | -1 | -0.752 | -0.862 | 26.583 | -12.065 | -12.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 417 | GLN | 0 | 0.006 | -0.003 | 22.194 | -1.061 | -1.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 418 | GLN | 0 | -0.020 | 0.015 | 21.538 | -1.162 | -1.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 419 | PRO | 0 | -0.063 | -0.022 | 18.731 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 420 | ALA | 0 | 0.003 | -0.012 | 20.965 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 421 | ALA | 0 | -0.027 | -0.004 | 20.052 | -0.858 | -0.858 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 422 | PHE | 0 | -0.002 | -0.003 | 19.567 | 0.590 | 0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 423 | SER | 0 | 0.034 | 0.010 | 21.165 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 424 | PRO | 0 | 0.006 | 0.011 | 20.458 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 425 | LYS | 1 | 0.815 | 0.899 | 23.256 | 11.868 | 11.868 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 426 | THR | 0 | -0.092 | -0.076 | 26.350 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 427 | GLY | 0 | 0.005 | 0.015 | 25.684 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 428 | LEU | 0 | -0.044 | -0.015 | 26.505 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 429 | PHE | 0 | 0.014 | -0.008 | 20.680 | -0.540 | -0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 430 | TYR | 0 | -0.040 | -0.031 | 24.438 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 431 | VAL | 0 | 0.032 | 0.010 | 24.758 | -0.621 | -0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 432 | PRO | 0 | -0.020 | -0.006 | 25.139 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 433 | THR | 0 | -0.033 | -0.037 | 27.797 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 434 | ASN | 0 | -0.019 | -0.030 | 29.913 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 435 | HIS | 0 | -0.108 | -0.076 | 32.949 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 436 | VAL | 0 | -0.002 | 0.000 | 36.088 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 438 | MET | 0 | 0.017 | 0.041 | 37.163 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 439 | ASP | -1 | -0.851 | -0.890 | 41.153 | -7.005 | -7.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 440 | TYR | 0 | -0.009 | -0.046 | 36.819 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 441 | GLU | -1 | -0.901 | -0.954 | 42.337 | -6.778 | -6.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 442 | PRO | 0 | 0.010 | 0.031 | 41.129 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 443 | PHE | 0 | 0.037 | 0.011 | 42.586 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 444 | ARG | 1 | 0.799 | 0.883 | 42.716 | 7.098 | 7.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 445 | VAL | 0 | 0.017 | 0.024 | 39.254 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 446 | THR | 0 | -0.018 | -0.010 | 41.661 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 447 | TYR | 0 | 0.046 | 0.025 | 32.379 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 448 | THR | 0 | -0.046 | -0.041 | 37.348 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 449 | PRO | 0 | -0.019 | 0.007 | 34.279 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 450 | GLY | 0 | 0.021 | 0.009 | 32.949 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 451 | GLN | 0 | -0.032 | -0.010 | 33.970 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 452 | PRO | 0 | -0.033 | -0.012 | 34.480 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 453 | TYR | 0 | -0.059 | -0.047 | 34.237 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 454 | VAL | 0 | 0.056 | 0.028 | 34.702 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 455 | GLY | 0 | 0.045 | 0.024 | 36.644 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 456 | ALA | 0 | 0.014 | 0.001 | 38.804 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 457 | THR | 0 | -0.012 | 0.013 | 40.516 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 458 | LEU | 0 | -0.004 | -0.005 | 37.136 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 459 | SER | 0 | -0.012 | 0.003 | 41.422 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 460 | MET | 0 | -0.019 | -0.007 | 35.104 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 461 | TYR | 0 | -0.044 | -0.041 | 40.778 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 462 | PRO | 0 | 0.026 | 0.006 | 40.545 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 463 | ALA | 0 | 0.025 | 0.012 | 40.051 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 464 | PRO | 0 | -0.028 | -0.027 | 41.971 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 465 | GLY | 0 | -0.007 | 0.015 | 44.309 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 466 | SER | 0 | -0.021 | -0.015 | 40.747 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 467 | HIS | 0 | -0.010 | -0.014 | 43.049 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 468 | GLY | 0 | 0.022 | 0.020 | 44.285 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 469 | GLY | 0 | -0.029 | 0.003 | 40.576 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 470 | MET | 0 | 0.016 | -0.002 | 37.364 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 471 | GLY | 0 | 0.038 | 0.028 | 34.646 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 472 | ASN | 0 | -0.014 | 0.014 | 33.648 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 473 | PHE | 0 | 0.011 | 0.036 | 26.532 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 474 | ILE | 0 | -0.001 | 0.004 | 30.371 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 475 | ALA | 0 | 0.016 | 0.021 | 29.309 | -0.469 | -0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 476 | TRP | 0 | 0.013 | -0.003 | 27.194 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 477 | ASP | -1 | -0.832 | -0.929 | 28.168 | -10.827 | -10.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 478 | ASN | 0 | -0.010 | -0.019 | 23.905 | 0.594 | 0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 479 | LEU | 0 | -0.002 | 0.011 | 26.305 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 480 | GLN | 0 | 0.028 | 0.004 | 29.502 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 481 | GLY | 0 | -0.021 | 0.010 | 31.215 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 482 | LYS | 1 | 0.871 | 0.928 | 32.141 | 9.078 | 9.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 483 | ILE | 0 | 0.039 | 0.027 | 32.540 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 484 | LYS | 1 | 0.876 | 0.941 | 32.077 | 9.705 | 9.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 485 | TRP | 0 | 0.001 | 0.010 | 30.869 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 486 | SER | 0 | 0.013 | -0.005 | 34.078 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 487 | ASN | 0 | -0.036 | -0.011 | 34.339 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 488 | PRO | 0 | 0.031 | 0.020 | 35.485 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 489 | GLU | -1 | -0.800 | -0.874 | 33.755 | -9.268 | -9.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 490 | GLN | 0 | -0.012 | -0.004 | 37.204 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 491 | PHE | 0 | 0.022 | 0.009 | 35.960 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 492 | SER | 0 | 0.002 | -0.007 | 32.474 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 493 | ALA | 0 | -0.024 | -0.002 | 29.937 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 494 | TRP | 0 | 0.066 | 0.008 | 26.925 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 495 | GLY | 0 | 0.023 | 0.027 | 25.714 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 496 | GLY | 0 | -0.010 | -0.008 | 21.917 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 497 | ALA | 0 | -0.012 | -0.005 | 22.898 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 498 | LEU | 0 | -0.037 | -0.001 | 18.709 | -0.986 | -0.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 499 | ALA | 0 | 0.000 | 0.018 | 21.013 | 0.786 | 0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 500 | THR | 0 | -0.001 | -0.002 | 21.170 | -0.653 | -0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 501 | ALA | 0 | 0.040 | 0.030 | 22.446 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 502 | GLY | 0 | 0.010 | 0.001 | 24.162 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 503 | ASP | -1 | -0.867 | -0.914 | 26.841 | -10.427 | -10.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 504 | VAL | 0 | -0.034 | 0.006 | 27.091 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 505 | VAL | 0 | -0.005 | -0.004 | 24.842 | -0.602 | -0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 506 | PHE | 0 | 0.001 | -0.006 | 24.934 | 0.590 | 0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 507 | TYR | 0 | -0.021 | -0.041 | 25.361 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 508 | GLY | 0 | 0.042 | 0.020 | 27.140 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 509 | THR | 0 | -0.027 | -0.039 | 28.999 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 510 | LEU | 0 | 0.058 | 0.025 | 31.080 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 511 | GLU | -1 | -0.799 | -0.888 | 33.518 | -8.595 | -8.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 512 | GLY | 0 | 0.011 | 0.021 | 32.734 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 513 | PHE | 0 | -0.043 | -0.011 | 33.409 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 514 | LEU | 0 | 0.024 | 0.025 | 27.274 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 515 | LYS | 1 | 0.771 | 0.860 | 30.455 | 9.494 | 9.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 516 | ALA | 0 | 0.019 | 0.008 | 29.575 | -0.478 | -0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 517 | VAL | 0 | 0.001 | -0.007 | 30.016 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 518 | ASP | -1 | -0.808 | -0.887 | 30.357 | -9.853 | -9.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 519 | SER | 0 | 0.011 | -0.002 | 27.763 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 520 | LYS | 1 | 0.894 | 0.955 | 29.755 | 10.063 | 10.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 521 | THR | 0 | -0.032 | -0.040 | 32.753 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 522 | GLY | 0 | 0.054 | 0.025 | 33.299 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 523 | LYS | 1 | 0.921 | 0.971 | 34.345 | 8.124 | 8.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 524 | GLU | -1 | -0.754 | -0.869 | 35.058 | -8.970 | -8.970 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 525 | LEU | 0 | -0.087 | -0.050 | 32.819 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 526 | TYR | 0 | -0.009 | -0.007 | 31.635 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 527 | LYS | 1 | 0.851 | 0.929 | 34.027 | 8.268 | 8.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 528 | PHE | 0 | 0.020 | 0.013 | 32.850 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 529 | LYS | 1 | 0.877 | 0.955 | 33.886 | 8.478 | 8.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 530 | THR | 0 | 0.002 | -0.016 | 30.029 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 531 | PRO | 0 | -0.012 | -0.019 | 31.909 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 532 | SER | 0 | -0.043 | -0.025 | 31.966 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 533 | GLY | 0 | 0.032 | 0.014 | 31.986 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 534 | ILE | 0 | -0.074 | -0.041 | 26.706 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 535 | ILE | 0 | 0.006 | 0.025 | 25.890 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 536 | GLY | 0 | 0.020 | 0.031 | 23.066 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 537 | ASN | 0 | -0.062 | -0.037 | 17.782 | 1.054 | 1.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 538 | VAL | 0 | -0.002 | 0.018 | 21.253 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 539 | MET | 0 | -0.063 | -0.012 | 17.075 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 540 | THR | 0 | -0.016 | -0.035 | 18.598 | 1.052 | 1.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 541 | TYR | 0 | 0.032 | 0.015 | 17.895 | -0.922 | -0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 542 | GLU | -1 | -0.902 | -0.950 | 18.839 | -13.183 | -13.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 543 | HIS | 0 | 0.011 | 0.012 | 19.814 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 544 | LYS | 1 | 0.822 | 0.891 | 22.162 | 12.566 | 12.566 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 545 | GLY | 0 | 0.041 | 0.033 | 23.400 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 546 | LYS | 1 | 0.836 | 0.935 | 24.794 | 10.318 | 10.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 547 | GLN | 0 | 0.023 | -0.006 | 22.725 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 548 | HIS | 0 | 0.004 | 0.002 | 22.926 | 0.775 | 0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 549 | VAL | 0 | -0.019 | 0.002 | 22.721 | -0.677 | -0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 550 | ALA | 0 | -0.004 | -0.006 | 21.931 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 551 | VAL | 0 | 0.032 | 0.012 | 22.855 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 552 | LEU | 0 | 0.013 | 0.014 | 20.917 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 553 | SER | 0 | -0.013 | -0.017 | 24.750 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 554 | GLY | 0 | 0.013 | -0.004 | 28.443 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 555 | VAL | 0 | -0.010 | 0.017 | 28.859 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 556 | GLY | 0 | 0.037 | -0.002 | 30.368 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 557 | GLY | 0 | 0.005 | 0.002 | 28.321 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 558 | TRP | 0 | -0.046 | -0.034 | 28.987 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 559 | ALA | 0 | 0.037 | 0.020 | 31.194 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 560 | GLY | 0 | 0.015 | 0.006 | 32.170 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 561 | ILE | 0 | -0.027 | -0.002 | 33.069 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 562 | GLY | 0 | 0.046 | 0.023 | 34.683 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 563 | LEU | 0 | -0.016 | -0.011 | 35.918 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 564 | ALA | 0 | -0.043 | -0.026 | 32.596 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 565 | ALA | 0 | -0.043 | -0.027 | 34.637 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 566 | GLY | 0 | -0.021 | 0.007 | 36.830 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 567 | LEU | 0 | -0.052 | -0.018 | 38.828 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 568 | THR | 0 | 0.018 | -0.016 | 41.367 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 569 | ASP | -1 | -0.831 | -0.904 | 44.244 | -7.090 | -7.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 570 | PRO | 0 | -0.013 | -0.023 | 43.366 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 571 | ASN | 0 | -0.018 | -0.016 | 42.834 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 572 | ALA | 0 | 0.025 | 0.017 | 41.216 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 573 | GLY | 0 | -0.001 | -0.016 | 36.865 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 574 | LEU | 0 | 0.004 | 0.004 | 34.402 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 575 | GLY | 0 | 0.055 | 0.027 | 37.529 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 576 | ALA | 0 | -0.001 | 0.000 | 35.606 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 577 | VAL | 0 | -0.038 | -0.014 | 37.585 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 578 | GLY | 0 | 0.021 | 0.005 | 39.872 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 579 | GLY | 0 | -0.028 | 0.007 | 39.834 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 580 | TYR | 0 | -0.030 | -0.044 | 34.468 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 581 | ALA | 0 | 0.047 | 0.039 | 39.348 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 582 | ALA | 0 | -0.004 | -0.008 | 42.526 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 583 | LEU | 0 | -0.013 | -0.006 | 35.154 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 584 | SER | 0 | 0.003 | -0.023 | 39.830 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 585 | SER | 0 | -0.046 | -0.004 | 41.677 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 586 | TYR | 0 | -0.074 | -0.038 | 39.472 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 587 | THR | 0 | -0.002 | -0.007 | 35.555 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 588 | ASN | 0 | 0.008 | 0.025 | 37.491 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 589 | LEU | 0 | 0.020 | 0.014 | 33.196 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 590 | GLY | 0 | -0.001 | -0.015 | 32.489 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 591 | GLY | 0 | 0.055 | 0.027 | 28.549 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 592 | GLN | 0 | -0.065 | -0.026 | 28.264 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 593 | LEU | 0 | -0.002 | 0.014 | 22.217 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 594 | THR | 0 | 0.003 | -0.003 | 25.939 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 595 | VAL | 0 | -0.004 | -0.003 | 24.437 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 596 | PHE | 0 | 0.005 | -0.003 | 26.596 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 597 | SER | 0 | 0.032 | 0.014 | 26.942 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 598 | LEU | 0 | -0.004 | 0.001 | 29.092 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 599 | PRO | 0 | 0.028 | 0.016 | 31.888 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 600 | ASN | -1 | -0.894 | -0.919 | 32.767 | -9.129 | -9.129 | 0.000 | 0.000 | 0.000 | 0.000 |