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: RYMV8
Calculation Name: 1C8B-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1C8B
Chain ID: A
UniProt ID: P22321
Base Structure: X-ray
Registration Date: 2025-07-07
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 602 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -4529223.671824 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4405664.516764 |
| FMO2-HF: Total energy | -123559.15506 |
| FMO2-MP2: Total energy | -123917.517493 |
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:401:MET)
Summations of interaction energy for
fragment #1(A:401:MET)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -12.472 | -7.384 | 1.565 | -2.954 | -3.699 | -0.027 |
Interaction energy analysis for fragmet #1(A:401:MET)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 402 | GLU | -1 | -0.917 | -0.842 | 2.443 | -10.977 | -7.241 | 1.569 | -2.715 | -2.590 | -0.033 |
| 5 | A | 403 | LYS | 0 | 0.018 | -0.112 | 3.788 | 0.693 | 2.325 | -0.001 | -0.852 | -0.779 | 0.005 |
| 6 | A | 403 | LYS | 1 | 0.862 | 1.037 | 3.133 | 0.463 | 0.183 | -0.003 | 0.613 | -0.330 | 0.001 |
| 7 | A | 404 | GLU | 0 | 0.097 | -0.083 | 5.481 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 404 | GLU | -1 | -0.986 | -0.872 | 7.665 | -1.267 | -1.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 405 | LEU | 0 | 0.059 | -0.094 | 8.698 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 405 | LEU | 0 | -0.121 | 0.076 | 11.953 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 406 | ASP | 0 | 0.105 | -0.042 | 12.061 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 406 | ASP | -1 | -1.021 | -0.931 | 11.721 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 407 | LEU | 0 | 0.098 | -0.055 | 13.192 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 407 | LEU | 0 | -0.095 | 0.085 | 17.358 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 408 | SER | 0 | -0.021 | -0.117 | 17.026 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 408 | SER | 0 | -0.008 | 0.071 | 17.710 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 409 | GLN | 0 | -0.030 | -0.148 | 19.670 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 409 | GLN | 0 | -0.052 | 0.118 | 21.584 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 410 | TYR | 0 | 0.107 | -0.056 | 23.360 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 410 | TYR | 0 | -0.062 | 0.075 | 27.522 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 411 | SER | 0 | 0.042 | -0.125 | 26.575 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 411 | SER | 0 | 0.012 | 0.134 | 26.510 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 412 | VAL | 0 | 0.042 | -0.077 | 28.315 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 412 | VAL | 0 | -0.090 | 0.050 | 31.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 413 | ARG | 0 | 0.079 | -0.095 | 32.115 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 413 | ARG | 1 | 0.792 | 0.986 | 35.077 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 414 | THR | 0 | -0.086 | -0.106 | 34.269 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 414 | THR | 0 | 0.052 | 0.101 | 34.404 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 415 | ASP | 0 | 0.121 | -0.061 | 35.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 415 | ASP | -1 | -0.941 | -0.825 | 38.016 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 416 | LEU | 0 | 0.211 | -0.094 | 38.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 416 | LEU | 0 | -0.053 | 0.141 | 41.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 417 | ALA | 0 | -0.004 | -0.090 | 41.953 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 417 | ALA | 0 | -0.041 | 0.066 | 46.148 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 418 | VAL | 0 | 0.132 | -0.158 | 45.400 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 418 | VAL | 0 | -0.059 | 0.174 | 46.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 419 | GLU | 0 | 0.086 | -0.096 | 42.720 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 419 | GLU | -1 | -0.837 | -0.751 | 40.916 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 420 | ALA | 0 | 0.122 | -0.112 | 42.462 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 420 | ALA | 0 | -0.089 | 0.125 | 42.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 421 | LYS | 0 | 0.073 | -0.117 | 43.447 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 421 | LYS | 1 | 0.760 | 1.017 | 48.142 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 422 | ASP | 0 | -0.013 | -0.156 | 45.237 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 422 | ASP | -1 | -0.929 | -0.813 | 44.289 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 423 | ILE | 0 | 0.112 | -0.092 | 41.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 423 | ILE | 0 | -0.131 | 0.110 | 38.542 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 424 | ALA | 0 | 0.132 | -0.113 | 42.116 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 424 | ALA | 0 | -0.082 | 0.111 | 44.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 425 | LEU | 0 | 0.025 | -0.127 | 44.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 425 | LEU | 0 | -0.085 | 0.116 | 47.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 426 | GLU | 0 | 0.029 | -0.132 | 42.861 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 426 | GLU | -1 | -1.009 | -0.853 | 39.901 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 427 | ASN | 0 | 0.077 | -0.069 | 41.808 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 427 | ASN | 0 | -0.171 | 0.031 | 39.260 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 428 | GLN | 0 | 0.115 | -0.108 | 42.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 428 | GLN | 0 | -0.127 | 0.111 | 45.514 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 429 | PRO | 0 | 0.005 | -0.075 | 45.192 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 430 | LYS | 0 | -0.075 | -0.026 | 48.422 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 430 | LYS | 1 | 1.010 | 0.997 | 51.860 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 440 | VAL | 0 | 0.111 | 0.027 | 52.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 440 | VAL | 0 | -0.100 | 0.058 | 53.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 441 | ILE | 0 | 0.122 | -0.056 | 51.962 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 441 | ILE | 0 | -0.048 | 0.100 | 54.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 442 | VAL | 0 | -0.012 | -0.145 | 50.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 442 | VAL | 0 | -0.060 | 0.115 | 48.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 443 | LYS | 0 | 0.055 | -0.103 | 50.981 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 443 | LYS | 1 | 0.831 | 1.010 | 51.226 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 444 | GLU | 0 | 0.078 | -0.108 | 51.224 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 444 | GLU | -1 | -0.790 | -0.857 | 48.515 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 445 | LYS | 0 | 0.071 | -0.086 | 52.541 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 445 | LYS | 1 | 0.690 | 0.971 | 56.502 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 446 | GLU | 0 | 0.089 | -0.084 | 53.579 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 446 | GLU | -1 | -0.871 | -0.814 | 51.785 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 447 | GLU | 0 | 0.012 | -0.120 | 54.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 447 | GLU | -1 | -1.032 | -0.870 | 58.550 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 448 | GLN | 0 | 0.062 | -0.079 | 56.046 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 448 | GLN | 0 | -0.121 | 0.058 | 53.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 449 | GLY | 0 | 0.042 | -0.090 | 57.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 450 | VAL | 0 | 0.087 | 0.021 | 57.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 450 | VAL | 0 | -0.091 | 0.072 | 57.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 451 | LYS | 0 | -0.028 | -0.135 | 59.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 451 | LYS | 1 | 0.784 | 0.999 | 60.412 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 452 | ILE | 0 | 0.009 | -0.113 | 59.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 452 | ILE | 0 | 0.041 | 0.157 | 60.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 453 | SER | 0 | 0.051 | -0.063 | 58.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 453 | SER | 0 | -0.057 | 0.035 | 56.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 454 | MET | 0 | 0.082 | -0.091 | 55.386 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 454 | MET | 0 | -0.105 | 0.151 | 52.656 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 455 | VAL | 0 | 0.072 | -0.120 | 54.449 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 455 | VAL | 0 | -0.105 | 0.086 | 53.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 456 | GLU | 0 | 0.131 | -0.165 | 53.910 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 456 | GLU | -1 | -0.776 | -0.674 | 56.261 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 457 | ILE | 0 | 0.065 | -0.103 | 53.129 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 457 | ILE | 0 | -0.113 | 0.095 | 50.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 458 | THR | 0 | 0.068 | -0.093 | 53.484 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 458 | THR | 0 | -0.057 | 0.091 | 56.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 459 | GLU | 0 | 0.187 | -0.083 | 51.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 459 | GLU | -1 | -0.944 | -0.801 | 49.716 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 460 | GLU | 0 | 0.130 | -0.079 | 52.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 460 | GLU | -1 | -0.978 | -0.828 | 54.937 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 461 | GLY | 0 | 0.065 | -0.090 | 50.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 462 | ALA | 0 | 0.198 | -0.001 | 51.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 462 | ALA | 0 | -0.152 | 0.096 | 53.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 463 | GLU | 0 | 0.174 | -0.097 | 50.308 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 463 | GLU | -1 | -0.917 | -0.834 | 48.895 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 464 | ALA | 0 | 0.078 | -0.093 | 49.219 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 464 | ALA | 0 | -0.152 | 0.066 | 51.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 465 | ILE | 0 | -0.052 | -0.309 | 48.589 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 465 | ILE | 0 | -0.126 | 0.375 | 48.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 466 | GLY | 0 | 0.147 | -0.059 | 46.299 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 467 | LYS | 0 | -0.025 | -0.062 | 44.255 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 467 | LYS | 1 | 0.778 | 1.031 | 45.307 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 468 | LYS | 0 | -0.011 | -0.060 | 43.647 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 468 | LYS | 1 | 0.767 | 0.936 | 45.427 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 469 | LYS | 0 | 0.091 | -0.068 | 42.471 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 469 | LYS | 1 | 0.802 | 0.999 | 45.062 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 470 | GLY | 0 | 0.074 | -0.032 | 41.516 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 471 | ARG | 0 | -0.014 | -0.006 | 41.527 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 471 | ARG | 1 | 0.834 | 1.039 | 35.095 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 472 | TYR | 0 | 0.062 | -0.152 | 42.866 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 472 | TYR | 0 | -0.126 | 0.136 | 42.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 473 | VAL | 0 | 0.096 | -0.095 | 45.558 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 473 | VAL | 0 | -0.186 | 0.095 | 48.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 474 | THR | 0 | 0.062 | -0.039 | 49.283 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 474 | THR | 0 | -0.049 | 0.061 | 49.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 475 | LEU | 0 | 0.170 | -0.113 | 51.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 475 | LEU | 0 | -0.087 | 0.137 | 54.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 476 | GLU | 0 | 0.102 | -0.094 | 49.320 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 476 | GLU | -1 | -0.946 | -0.791 | 46.935 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 477 | SER | 0 | 0.052 | -0.094 | 50.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 477 | SER | 0 | -0.037 | 0.088 | 53.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 478 | VAL | 0 | 0.048 | -0.096 | 49.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 478 | VAL | 0 | -0.089 | 0.077 | 48.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 479 | GLY | 0 | 0.032 | -0.096 | 50.704 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 480 | ILE | 0 | 0.026 | 0.017 | 50.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 480 | ILE | 0 | -0.157 | 0.018 | 48.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 481 | ARG | 0 | 0.136 | -0.096 | 50.125 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 481 | ARG | 1 | 0.774 | 0.986 | 52.058 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 482 | GLU | 0 | 0.103 | -0.066 | 48.956 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 482 | GLU | -1 | -0.904 | -0.805 | 49.571 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 483 | GLN | 0 | 0.120 | -0.074 | 48.198 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 483 | GLN | 0 | -0.118 | 0.083 | 47.160 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 484 | ASP | 0 | 0.145 | -0.074 | 46.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 484 | ASP | -1 | -1.078 | -0.922 | 46.563 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 485 | THR | 0 | 0.056 | 0.004 | 47.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 485 | THR | 0 | -0.147 | -0.039 | 50.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 486 | GLU | 0 | 0.235 | -0.014 | 50.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 486 | GLU | -1 | -0.984 | -0.892 | 52.153 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 487 | LYS | 0 | 0.040 | -0.100 | 53.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 487 | LYS | 1 | 0.777 | 1.043 | 56.217 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 488 | GLN | 0 | 0.088 | -0.072 | 55.556 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 488 | GLN | 0 | -0.119 | 0.059 | 53.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 489 | GLU | 0 | 0.019 | -0.167 | 52.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 489 | GLU | -1 | -0.835 | -0.759 | 50.670 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 490 | GLU | 0 | 0.059 | -0.138 | 53.898 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 490 | GLU | -1 | -0.918 | -0.805 | 56.572 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 491 | ALA | 0 | 0.142 | -0.067 | 56.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 491 | ALA | 0 | -0.117 | 0.075 | 57.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 492 | MET | 0 | 0.027 | -0.120 | 53.704 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 492 | MET | 0 | -0.081 | 0.096 | 49.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 493 | GLU | 0 | 0.057 | -0.122 | 54.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 493 | GLU | -1 | -0.982 | -0.845 | 54.714 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 494 | GLU | 0 | 0.157 | -0.090 | 55.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 494 | GLU | -1 | -1.048 | -0.840 | 59.877 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 495 | VAL | 0 | 0.058 | -0.134 | 58.091 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 495 | VAL | 0 | -0.122 | 0.091 | 56.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 496 | PHE | 0 | 0.041 | -0.110 | 54.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 496 | PHE | 0 | -0.091 | 0.085 | 51.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 497 | ALA | 0 | 0.078 | -0.110 | 55.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 497 | ALA | 0 | -0.047 | 0.118 | 58.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 498 | LYS | 0 | 0.090 | -0.088 | 57.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 498 | LYS | 1 | 0.679 | 0.976 | 60.090 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 499 | GLU | 0 | 0.002 | -0.165 | 56.937 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 499 | GLU | -1 | -0.925 | -0.818 | 56.304 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 500 | LEU | 0 | 0.147 | -0.081 | 55.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 500 | LEU | 0 | -0.079 | 0.137 | 53.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 501 | ASN | 0 | 0.120 | -0.061 | 56.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 501 | ASN | 0 | -0.109 | 0.069 | 60.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 502 | PHE | 0 | 0.072 | -0.118 | 60.041 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 502 | PHE | 0 | -0.092 | 0.111 | 60.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 503 | PHE | 0 | 0.119 | -0.116 | 56.632 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 503 | PHE | 0 | -0.124 | 0.098 | 53.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 504 | ILE | 0 | 0.087 | -0.100 | 57.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 504 | ILE | 0 | -0.096 | 0.105 | 56.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 505 | LYS | 0 | 0.046 | -0.093 | 58.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 505 | LYS | 1 | 0.808 | 1.044 | 62.788 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 506 | SER | 0 | 0.068 | -0.052 | 60.463 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 506 | SER | 0 | -0.017 | 0.084 | 59.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 507 | LEU | 0 | -0.019 | -0.194 | 57.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 507 | LEU | 0 | -0.114 | 0.150 | 54.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 508 | ASN | 0 | 0.040 | -0.075 | 58.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 508 | ASN | 0 | -0.212 | 0.005 | 61.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 509 | ILE | 0 | 0.053 | -0.182 | 59.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 509 | ILE | 0 | -0.088 | 0.162 | 56.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 510 | PRO | 0 | -0.064 | -0.103 | 61.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 511 | ASP | 0 | 0.207 | 0.024 | 62.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 511 | ASP | -1 | -0.953 | -0.843 | 65.796 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 512 | ASP | 0 | 0.078 | -0.112 | 63.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 512 | ASP | -1 | -1.000 | -0.845 | 65.330 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 513 | ALA | 0 | 0.146 | -0.130 | 60.813 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 513 | ALA | 0 | -0.156 | 0.051 | 59.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 514 | SER | 0 | 0.129 | -0.052 | 58.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 514 | SER | 0 | -0.086 | 0.036 | 58.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 515 | CYS | 0 | 0.035 | -0.122 | 55.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 515 | CYS | 0 | -0.070 | 0.135 | 54.510 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 516 | LEU | 0 | 0.170 | -0.116 | 51.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 516 | LEU | 0 | -0.166 | 0.059 | 49.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 517 | VAL | 0 | 0.145 | -0.105 | 50.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 517 | VAL | 0 | -0.085 | 0.138 | 48.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 518 | VAL | 0 | 0.048 | -0.120 | 45.925 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 518 | VAL | 0 | -0.099 | 0.112 | 43.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 519 | GLY | 0 | 0.070 | -0.072 | 44.120 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 520 | LEU | 0 | 0.012 | -0.068 | 40.477 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 520 | LEU | 0 | -0.097 | 0.107 | 39.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 521 | GLY | 0 | 0.058 | -0.070 | 37.074 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 522 | ASN | 0 | 0.023 | -0.011 | 34.353 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 522 | ASN | 0 | -0.129 | 0.070 | 32.461 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 523 | LEU | 0 | 0.119 | -0.121 | 35.682 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 523 | LEU | 0 | -0.098 | 0.106 | 37.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 524 | SER | 0 | -0.001 | -0.054 | 32.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 524 | SER | 0 | -0.054 | 0.020 | 31.760 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 525 | VAL | 0 | 0.121 | -0.091 | 31.771 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 525 | VAL | 0 | -0.110 | 0.117 | 29.957 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 526 | THR | 0 | 0.016 | -0.044 | 32.478 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 526 | THR | 0 | -0.011 | 0.040 | 34.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 527 | PRO | 0 | 0.043 | -0.085 | 33.164 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 528 | ASP | 0 | 0.137 | 0.054 | 34.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 528 | ASP | -1 | -0.968 | -0.856 | 34.047 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 529 | ALA | 0 | 0.107 | -0.137 | 36.040 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 529 | ALA | 0 | -0.112 | 0.121 | 37.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 530 | LEU | 0 | 0.122 | -0.118 | 38.642 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 530 | LEU | 0 | -0.068 | 0.139 | 41.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 531 | GLY | 0 | 0.036 | -0.059 | 41.119 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 532 | PRO | 0 | -0.102 | -0.065 | 39.578 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 533 | LYS | 0 | 0.087 | -0.007 | 42.629 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 533 | LYS | 1 | 0.846 | 1.071 | 40.594 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 534 | ALA | 0 | 0.101 | -0.046 | 44.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 534 | ALA | 0 | -0.077 | 0.083 | 45.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 535 | VAL | 0 | 0.104 | -0.115 | 46.329 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 535 | VAL | 0 | -0.154 | 0.068 | 46.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 536 | ASP | 0 | 0.078 | -0.091 | 47.066 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 536 | ASP | -1 | -1.059 | -0.857 | 46.372 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 537 | ASN | 0 | 0.024 | -0.109 | 48.461 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 537 | ASN | 0 | -0.078 | 0.069 | 49.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 538 | LEU | 0 | 0.142 | -0.095 | 51.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 538 | LEU | 0 | -0.131 | 0.100 | 51.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 539 | LEU | 0 | 0.095 | -0.111 | 52.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 539 | LEU | 0 | -0.095 | 0.127 | 57.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 540 | ILE | 0 | 0.032 | -0.152 | 55.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 540 | ILE | 0 | -0.127 | 0.110 | 52.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 541 | THR | 0 | -0.038 | -0.105 | 56.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 541 | THR | 0 | 0.029 | 0.080 | 59.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 542 | ARG | 0 | 0.149 | -0.050 | 57.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 542 | ARG | 1 | 0.878 | 1.083 | 55.901 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 543 | HIS | 0 | 0.051 | -0.088 | 58.132 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 543 | HIS | 0 | -0.064 | 0.076 | 57.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 544 | LEU | 0 | 0.031 | -0.143 | 59.510 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 544 | LEU | 0 | -0.052 | 0.114 | 61.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 545 | PHE | 0 | 0.112 | -0.093 | 62.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 545 | PHE | 0 | -0.095 | 0.105 | 62.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 546 | GLU | 0 | 0.090 | -0.069 | 61.701 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 546 | GLU | -1 | -1.143 | -0.947 | 59.848 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 547 | LEU | 0 | 0.122 | -0.067 | 62.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 547 | LEU | 0 | -0.107 | 0.064 | 59.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 548 | GLN | 0 | 0.047 | -0.103 | 63.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 548 | GLN | 0 | -0.098 | 0.088 | 64.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 549 | PRO | 0 | -0.151 | -0.136 | 66.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 550 | GLU | 0 | 0.076 | 0.033 | 67.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 550 | GLU | -1 | -0.942 | -0.870 | 68.376 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 551 | SER | 0 | 0.037 | -0.082 | 67.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 551 | SER | 0 | -0.116 | 0.039 | 71.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 552 | VAL | 0 | -0.015 | -0.147 | 67.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 552 | VAL | 0 | -0.074 | 0.121 | 67.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 553 | GLN | 0 | 0.171 | -0.068 | 67.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 553 | GLN | 0 | -0.171 | 0.038 | 67.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 554 | ASP | 0 | 0.005 | -0.082 | 67.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 554 | ASP | -1 | -0.989 | -0.904 | 68.280 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 555 | GLY | 0 | 0.059 | -0.065 | 67.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 556 | PHE | 0 | 0.023 | -0.067 | 64.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 556 | PHE | 0 | -0.073 | 0.121 | 63.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 557 | ARG | 0 | 0.241 | -0.063 | 61.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 557 | ARG | 1 | 0.691 | 1.065 | 58.934 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 558 | PRO | 0 | -0.064 | -0.088 | 60.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 559 | VAL | 0 | 0.070 | -0.030 | 56.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 559 | VAL | 0 | -0.015 | 0.153 | 54.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 560 | SER | 0 | -0.009 | -0.101 | 54.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 560 | SER | 0 | -0.009 | 0.046 | 53.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 561 | ALA | 0 | 0.117 | -0.131 | 50.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 561 | ALA | 0 | -0.068 | 0.156 | 49.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 562 | ILE | 0 | 0.087 | -0.137 | 47.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 562 | ILE | 0 | -0.115 | 0.109 | 45.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 563 | VAL | 0 | 0.145 | -0.135 | 43.661 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 563 | VAL | 0 | -0.060 | 0.182 | 41.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 564 | PRO | 0 | -0.080 | -0.114 | 40.308 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 565 | GLY | 0 | 0.058 | 0.019 | 37.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 566 | VAL | 0 | 0.067 | -0.059 | 37.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 566 | VAL | 0 | -0.031 | 0.164 | 39.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 567 | MET | 0 | 0.010 | -0.126 | 39.263 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 567 | MET | 0 | -0.097 | 0.110 | 39.784 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 568 | GLY | 0 | -0.037 | -0.104 | 35.287 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 569 | MET | 0 | 0.121 | -0.015 | 32.175 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 569 | MET | 0 | -0.122 | 0.100 | 28.000 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 570 | THR | 0 | -0.013 | -0.097 | 33.596 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 570 | THR | 0 | -0.014 | 0.079 | 37.234 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 571 | GLY | 0 | -0.013 | -0.100 | 33.225 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 572 | ILE | 0 | 0.095 | 0.011 | 34.286 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 572 | ILE | 0 | -0.096 | 0.087 | 38.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 573 | GLU | 0 | 0.105 | -0.146 | 35.359 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 573 | GLU | -1 | -1.022 | -0.800 | 34.057 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 574 | THR | 0 | 0.064 | -0.064 | 36.057 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 574 | THR | 0 | -0.034 | 0.039 | 36.386 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 575 | SER | 0 | 0.057 | -0.076 | 38.056 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 575 | SER | 0 | 0.034 | 0.105 | 38.831 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 576 | ASP | 0 | 0.185 | -0.093 | 39.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 576 | ASP | -1 | -0.997 | -0.828 | 38.515 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 577 | ILE | 0 | 0.037 | -0.091 | 40.570 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 577 | ILE | 0 | -0.117 | 0.060 | 39.408 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 578 | ILE | 0 | -0.016 | -0.144 | 42.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 578 | ILE | 0 | -0.046 | 0.136 | 41.498 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 579 | PHE | 0 | 0.042 | -0.083 | 43.596 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 579 | PHE | 0 | -0.083 | 0.089 | 43.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 580 | GLY | 0 | 0.009 | -0.112 | 44.773 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 581 | VAL | 0 | -0.012 | -0.041 | 46.610 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 581 | VAL | 0 | -0.012 | 0.109 | 46.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 582 | VAL | 0 | 0.137 | -0.126 | 48.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 582 | VAL | 0 | -0.005 | 0.185 | 48.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 583 | LYS | 0 | 0.149 | -0.013 | 49.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 583 | LYS | 1 | 0.798 | 1.032 | 49.727 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 584 | LYS | 0 | 0.023 | -0.063 | 51.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 584 | LYS | 1 | 0.791 | 0.974 | 48.539 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 585 | VAL | 0 | 0.011 | -0.099 | 52.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 585 | VAL | 0 | -0.087 | 0.065 | 52.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 586 | ASN | 0 | 0.072 | -0.119 | 53.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 586 | ASN | 0 | -0.147 | 0.062 | 55.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 587 | PRO | 0 | -0.113 | -0.083 | 52.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 588 | ASP | 0 | 0.170 | 0.017 | 55.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 588 | ASP | -1 | -0.955 | -0.820 | 58.666 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 589 | PHE | 0 | -0.038 | -0.145 | 53.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 589 | PHE | 0 | -0.031 | 0.123 | 54.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 590 | ILE | 0 | 0.008 | -0.122 | 50.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 590 | ILE | 0 | -0.042 | 0.118 | 47.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 591 | ILE | 0 | 0.086 | -0.077 | 49.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 591 | ILE | 0 | -0.059 | 0.105 | 50.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 592 | ALA | 0 | 0.093 | -0.083 | 45.423 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 592 | ALA | 0 | -0.082 | 0.065 | 44.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 593 | ILE | 0 | 0.103 | -0.114 | 45.454 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 593 | ILE | 0 | -0.143 | 0.133 | 44.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 594 | ASP | 0 | 0.067 | -0.102 | 41.240 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 594 | ASP | -1 | -0.922 | -0.872 | 38.994 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 595 | ALA | 0 | 0.158 | -0.101 | 39.017 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 595 | ALA | 0 | -0.068 | 0.108 | 38.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 596 | LEU | 0 | -0.007 | -0.112 | 38.106 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 596 | LEU | 0 | -0.082 | 0.093 | 39.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 597 | ALA | 0 | 0.170 | -0.075 | 35.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 597 | ALA | 0 | -0.085 | 0.102 | 34.950 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 598 | ALA | 0 | 0.162 | -0.139 | 36.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 598 | ALA | 0 | -0.098 | 0.145 | 39.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 599 | ARG | 0 | 0.055 | -0.144 | 36.967 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 599 | ARG | 1 | 0.759 | 1.031 | 37.468 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 600 | SER | 0 | -0.065 | -0.118 | 37.772 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 600 | SER | 0 | -0.032 | 0.076 | 41.706 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 601 | ILE | 0 | 0.149 | -0.084 | 39.112 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 601 | ILE | 0 | -0.077 | 0.090 | 36.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 602 | GLU | 0 | 0.121 | -0.109 | 39.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 602 | GLU | -1 | -1.043 | -0.851 | 42.971 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 603 | ARG | 0 | -0.054 | -0.115 | 42.759 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 603 | ARG | 1 | 0.847 | 1.090 | 42.694 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 604 | VAL | 0 | 0.109 | -0.090 | 40.367 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 604 | VAL | 0 | -0.092 | 0.099 | 38.464 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 605 | ASN | 0 | 0.061 | -0.081 | 41.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 605 | ASN | 0 | -0.049 | 0.084 | 39.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 606 | ALA | 0 | 0.115 | -0.125 | 43.274 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 606 | ALA | 0 | -0.041 | 0.135 | 45.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 607 | THR | 0 | -0.028 | -0.094 | 45.571 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 607 | THR | 0 | -0.102 | 0.054 | 44.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 608 | ILE | 0 | 0.218 | -0.146 | 45.832 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 608 | ILE | 0 | -0.060 | 0.180 | 48.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 609 | GLN | 0 | 0.054 | -0.084 | 46.801 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 609 | GLN | 0 | -0.131 | 0.094 | 45.325 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 610 | ILE | 0 | 0.160 | -0.102 | 47.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 610 | ILE | 0 | -0.022 | 0.145 | 51.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 611 | SER | 0 | -0.059 | -0.094 | 48.848 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 611 | SER | 0 | -0.030 | 0.040 | 47.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 612 | ASP | 0 | 0.189 | -0.071 | 49.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 612 | ASP | -1 | -1.014 | -0.873 | 51.947 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 613 | SER | 0 | -0.079 | -0.126 | 47.021 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 613 | SER | 0 | -0.019 | 0.059 | 46.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 614 | GLY | 0 | 0.059 | -0.078 | 46.364 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 615 | ILE | 0 | 0.048 | -0.030 | 42.032 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 615 | ILE | 0 | -0.058 | 0.122 | 39.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 616 | HIS | 0 | 0.102 | -0.156 | 40.501 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 616 | HIS | 0 | -0.047 | 0.163 | 40.033 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 617 | PRO | 0 | -0.071 | -0.109 | 36.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 618 | GLY | 0 | -0.073 | -0.063 | 34.541 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 619 | SER | 0 | -0.050 | 0.010 | 34.501 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 619 | SER | 0 | -0.025 | 0.029 | 37.072 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 620 | GLY | 0 | 0.105 | -0.012 | 34.390 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 621 | VAL | 0 | 0.102 | 0.073 | 29.961 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 621 | VAL | 0 | -0.148 | 0.029 | 27.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 622 | GLY | 0 | 0.041 | -0.112 | 30.866 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 623 | ASN | 0 | 0.006 | 0.013 | 30.832 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 623 | ASN | 0 | -0.139 | 0.040 | 29.239 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 624 | LYS | 0 | 0.087 | -0.112 | 32.144 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 624 | LYS | 1 | 0.923 | 1.118 | 35.428 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 625 | ARG | 0 | 0.051 | -0.100 | 35.525 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 625 | ARG | 1 | 0.890 | 1.084 | 32.980 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 626 | LYS | 0 | 0.077 | -0.072 | 37.211 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 626 | LYS | 1 | 0.767 | 0.992 | 39.729 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 627 | GLU | 0 | 0.123 | -0.079 | 40.497 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 627 | GLU | -1 | -0.953 | -0.859 | 42.200 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 628 | ILE | 0 | 0.148 | -0.075 | 43.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 628 | ILE | 0 | -0.203 | 0.112 | 43.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 629 | SER | 0 | 0.199 | 0.017 | 46.282 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 629 | SER | 0 | -0.020 | 0.080 | 50.531 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 630 | TYR | 0 | 0.029 | -0.107 | 47.528 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 630 | TYR | 0 | -0.095 | 0.073 | 46.484 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 631 | GLU | 0 | -0.008 | -0.136 | 44.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 631 | GLU | -1 | -0.932 | -0.858 | 42.015 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 632 | THR | 0 | 0.119 | -0.014 | 45.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 632 | THR | 0 | -0.053 | 0.040 | 47.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 633 | LEU | 0 | -0.200 | -0.183 | 43.944 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 633 | LEU | 0 | 0.106 | 0.058 | 41.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 643 | PRO | 0 | -0.074 | -0.048 | 48.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 644 | THR | 0 | 0.002 | 0.022 | 50.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 644 | THR | 0 | -0.036 | 0.053 | 52.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 645 | VAL | 0 | 0.100 | -0.112 | 51.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 645 | VAL | 0 | -0.018 | 0.135 | 53.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 646 | VAL | 0 | 0.102 | -0.128 | 48.940 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 646 | VAL | 0 | -0.138 | 0.118 | 46.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 647 | ASP | 0 | 0.120 | -0.087 | 50.046 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 647 | ASP | -1 | -1.018 | -0.850 | 51.229 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 648 | ALA | 0 | 0.120 | -0.117 | 46.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 648 | ALA | 0 | -0.148 | 0.101 | 45.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 649 | VAL | 0 | 0.100 | -0.138 | 47.755 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 649 | VAL | 0 | -0.067 | 0.168 | 47.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 650 | SER | 0 | 0.019 | -0.115 | 43.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 650 | SER | 0 | -0.092 | 0.046 | 42.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 651 | ILE | 0 | 0.068 | -0.155 | 43.477 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 651 | ILE | 0 | -0.011 | 0.149 | 42.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 652 | THR | 0 | 0.054 | -0.085 | 40.121 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 652 | THR | 0 | -0.106 | 0.065 | 40.318 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 653 | SER | 0 | -0.013 | -0.088 | 38.334 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 653 | SER | 0 | 0.006 | 0.101 | 37.584 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 654 | ASP | 0 | 0.065 | -0.135 | 34.067 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 654 | ASP | -1 | -0.891 | -0.843 | 33.355 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 655 | THR | 0 | 0.003 | -0.098 | 34.844 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 655 | THR | 0 | -0.017 | 0.077 | 34.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 656 | ILE | 0 | 0.073 | -0.057 | 31.206 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 656 | ILE | 0 | -0.076 | 0.078 | 29.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 657 | ASP | 0 | 0.068 | -0.057 | 27.978 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 657 | ASP | -1 | -0.928 | -0.868 | 27.457 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 658 | PHE | 0 | 0.081 | -0.125 | 28.958 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 658 | PHE | 0 | -0.125 | 0.126 | 32.113 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 659 | ILE | 0 | 0.102 | -0.106 | 30.212 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 659 | ILE | 0 | -0.115 | 0.084 | 27.599 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 660 | LEU | 0 | 0.145 | -0.157 | 31.523 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 660 | LEU | 0 | -0.085 | 0.169 | 34.800 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 661 | LYS | 0 | -0.001 | -0.105 | 32.785 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 661 | LYS | 1 | 0.878 | 1.060 | 28.766 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 662 | HIS | 0 | 0.074 | -0.098 | 33.857 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 662 | HIS | 0 | -0.066 | 0.099 | 36.698 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 663 | PHE | 0 | 0.128 | -0.087 | 36.739 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 663 | PHE | 0 | -0.071 | 0.112 | 37.027 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 664 | GLY | 0 | 0.031 | -0.082 | 36.729 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 665 | ARG | 0 | 0.052 | 0.013 | 37.195 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 665 | ARG | 1 | 0.831 | 1.012 | 32.180 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 666 | GLU | 0 | 0.137 | -0.119 | 38.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 666 | GLU | -1 | -0.985 | -0.801 | 41.613 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 667 | MET | 0 | 0.044 | -0.144 | 40.552 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 667 | MET | 0 | -0.032 | 0.120 | 39.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 668 | LYS | 0 | 0.041 | -0.087 | 39.714 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 668 | LYS | 1 | 0.673 | 0.931 | 38.362 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 669 | GLU | 0 | -0.009 | -0.087 | 40.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 669 | GLU | -1 | -0.894 | -0.824 | 41.814 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 670 | GLN | 0 | -0.040 | -0.126 | 44.314 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 670 | GLN | 0 | -0.064 | 0.111 | 45.192 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 671 | GLY | 0 | -0.022 | -0.109 | 43.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 705 | LEU | 0 | 0.148 | -0.004 | 43.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 705 | LEU | 0 | -0.111 | 0.089 | 44.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 706 | GLY | 0 | -0.036 | -0.093 | 40.307 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 707 | MET | 0 | 0.071 | 0.029 | 40.292 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 707 | MET | 0 | -0.114 | 0.058 | 41.163 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 708 | ILE | 0 | 0.150 | -0.094 | 40.452 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 708 | ILE | 0 | -0.085 | 0.120 | 40.957 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 709 | GLY | 0 | 0.102 | -0.060 | 37.470 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 710 | THR | 0 | 0.061 | 0.049 | 36.938 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 710 | THR | 0 | 0.002 | 0.072 | 40.676 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 711 | LEU | 0 | 0.048 | -0.110 | 38.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 711 | LEU | 0 | -0.096 | 0.088 | 38.158 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 712 | PRO | 0 | -0.114 | -0.122 | 33.230 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 713 | ASP | 0 | 0.214 | 0.068 | 33.601 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 713 | ASP | -1 | -1.037 | -0.894 | 32.727 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 714 | GLU | 0 | 0.111 | -0.114 | 31.012 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 714 | GLU | -1 | -0.900 | -0.769 | 29.690 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 715 | GLU | 0 | 0.014 | -0.151 | 28.003 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 715 | GLU | -1 | -0.974 | -0.835 | 28.260 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 716 | LYS | 0 | 0.144 | -0.092 | 27.631 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 716 | LYS | 1 | 0.842 | 1.070 | 30.537 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 717 | ARG | 0 | 0.039 | -0.094 | 27.432 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 717 | ARG | 1 | 0.774 | 0.999 | 26.832 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 718 | ARG | 0 | 0.079 | -0.068 | 23.777 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 718 | ARG | 1 | 0.745 | 1.003 | 19.808 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 719 | LEU | 0 | 0.149 | -0.101 | 23.736 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 719 | LEU | 0 | -0.150 | 0.079 | 26.978 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 720 | ILE | 0 | 0.100 | -0.149 | 25.389 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 720 | ILE | 0 | -0.069 | 0.119 | 26.502 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 721 | HIS | 0 | 0.162 | -0.026 | 22.587 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 721 | HIS | 0 | -0.158 | 0.053 | 18.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 722 | GLU | 0 | 0.068 | -0.067 | 20.477 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 722 | GLU | -1 | -0.926 | -0.845 | 20.573 | -0.438 | -0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 723 | VAL | 0 | 0.002 | -0.078 | 21.435 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 723 | VAL | 0 | -0.151 | 0.030 | 25.826 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 724 | LEU | 0 | -0.052 | -0.149 | 23.290 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 724 | LEU | 0 | -0.061 | 0.119 | 23.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 725 | ALA | 0 | 0.154 | -0.032 | 19.217 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 725 | ALA | 0 | -0.113 | 0.020 | 18.791 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 726 | PRO | 0 | -0.057 | -0.104 | 15.323 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 727 | LEU | 0 | 0.073 | -0.006 | 17.601 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 727 | LEU | 0 | -0.077 | 0.115 | 17.124 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 728 | GLY | 0 | 0.093 | -0.058 | 19.469 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 729 | HIS | 0 | 0.115 | 0.031 | 22.239 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 729 | HIS | 0 | -0.147 | 0.038 | 22.346 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 730 | ASN | 0 | 0.014 | -0.035 | 22.868 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 730 | ASN | 0 | -0.149 | 0.008 | 20.610 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 731 | LEU | 0 | 0.151 | -0.144 | 23.859 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 731 | LEU | 0 | -0.111 | 0.147 | 23.152 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 732 | MET | 0 | 0.053 | -0.090 | 25.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 732 | MET | 0 | -0.078 | 0.086 | 28.677 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 733 | VAL | 0 | 0.104 | -0.145 | 29.145 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 733 | VAL | 0 | -0.075 | 0.139 | 30.299 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 734 | THR | 0 | -0.069 | -0.113 | 31.825 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 734 | THR | 0 | 0.040 | 0.125 | 33.313 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 735 | PRO | 0 | -0.008 | -0.060 | 34.492 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 736 | LYS | 0 | 0.159 | 0.052 | 35.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 736 | LYS | 1 | 0.846 | 1.031 | 33.043 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 737 | GLU | 0 | 0.050 | -0.122 | 36.036 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 737 | GLU | -1 | -1.027 | -0.849 | 39.912 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 738 | VAL | 0 | 0.095 | -0.166 | 37.038 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 738 | VAL | 0 | -0.071 | 0.120 | 35.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 739 | ASP | 0 | 0.016 | -0.088 | 38.397 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 739 | ASP | -1 | -0.911 | -0.837 | 38.660 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 740 | MET | 0 | 0.117 | -0.162 | 39.888 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 740 | MET | 0 | -0.081 | 0.151 | 42.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 741 | PHE | 0 | 0.092 | -0.094 | 41.984 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 741 | PHE | 0 | -0.124 | 0.109 | 40.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 742 | ILE | 0 | 0.080 | -0.080 | 41.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 742 | ILE | 0 | -0.116 | 0.071 | 38.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 743 | GLU | 0 | 0.057 | -0.106 | 42.348 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 743 | GLU | -1 | -0.971 | -0.826 | 43.614 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 744 | ASP | 0 | 0.088 | -0.124 | 45.054 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 744 | ASP | -1 | -0.940 | -0.800 | 47.212 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 745 | MET | 0 | 0.159 | -0.088 | 45.541 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 745 | MET | 0 | -0.135 | 0.107 | 44.507 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 746 | ALA | 0 | 0.010 | -0.142 | 45.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 746 | ALA | 0 | -0.055 | 0.093 | 44.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 747 | ASN | 0 | 0.047 | -0.134 | 46.560 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 747 | ASN | 0 | -0.146 | 0.075 | 48.538 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 748 | VAL | 0 | 0.126 | -0.084 | 49.743 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 748 | VAL | 0 | -0.112 | 0.129 | 50.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 749 | VAL | 0 | 0.076 | -0.124 | 48.614 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 749 | VAL | 0 | -0.083 | 0.101 | 46.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 750 | ALA | 0 | 0.066 | -0.120 | 50.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 750 | ALA | 0 | -0.062 | 0.149 | 50.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 751 | GLY | 0 | -0.056 | -0.111 | 51.590 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 752 | GLY | 0 | 0.050 | 0.004 | 54.096 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 753 | LEU | 0 | 0.111 | -0.005 | 53.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 753 | LEU | 0 | -0.087 | 0.105 | 51.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 754 | ASN | 0 | -0.044 | -0.117 | 54.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 754 | ASN | 0 | -0.067 | 0.088 | 55.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 755 | ALA | 0 | 0.191 | -0.136 | 57.263 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 755 | ALA | 0 | -0.037 | 0.175 | 58.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 756 | ALA | 0 | 0.042 | -0.107 | 57.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 756 | ALA | 0 | -0.056 | 0.122 | 57.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 757 | LEU | 0 | -0.003 | -0.121 | 59.090 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 757 | LEU | 0 | -0.106 | 0.119 | 58.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 758 | HIS | 0 | 0.095 | -0.080 | 61.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 758 | HIS | 0 | -0.177 | 0.026 | 61.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 759 | HIS | 0 | 0.036 | -0.082 | 62.805 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 759 | HIS | 0 | -0.150 | 0.041 | 63.200 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 760 | GLU | 0 | 0.122 | -0.074 | 62.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 760 | GLU | -1 | -0.939 | -0.829 | 61.353 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 761 | VAL | 0 | -0.006 | -0.104 | 63.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 761 | VAL | 0 | -0.125 | 0.045 | 67.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 762 | ASP | 0 | 0.092 | -0.111 | 67.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 762 | ASP | -1 | -0.800 | -0.802 | 68.239 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 763 | GLN | 0 | -0.027 | -0.097 | 70.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 763 | GLN | 0 | -0.114 | 0.051 | 70.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 764 | GLU | 0 | 0.061 | -0.134 | 70.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 764 | GLU | -1 | -1.007 | -0.839 | 70.676 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 765 | ASN | 0 | 0.009 | -0.131 | 68.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 765 | ASN | 0 | -0.085 | 0.090 | 67.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 766 | PHE | 0 | 0.112 | -0.013 | 68.443 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 766 | PHE | 0 | -0.139 | 0.021 | 65.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 767 | GLY | 0 | -0.063 | -0.132 | 67.313 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 768 | ALA | 0 | 0.125 | 0.024 | 63.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 768 | ALA | 0 | -0.060 | 0.095 | 63.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 769 | TYR | 0 | 0.118 | -0.039 | 62.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 769 | TYR | 0 | -0.158 | 0.044 | 59.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 770 | THR | 0 | 0.029 | -0.085 | 63.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 770 | THR | 0 | -0.070 | 0.045 | 64.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 771 | HIS | 0 | -0.072 | -0.111 | 66.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 771 | HIS | 0 | 0.058 | 0.027 | 68.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |