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: L75M9
Calculation Name: 1W9C-A-Xray540
Preferred Name: Exportin-1
Target Type: SINGLE PROTEIN
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1W9C
Chain ID: A
ChEMBL ID: CHEMBL5661
UniProt ID: O14980
Base Structure: X-ray
Registration Date: 2025-07-11
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 | OptAll |
| 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 | 616 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -4704376.280422 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4577243.102964 |
| FMO2-HF: Total energy | -127133.177458 |
| FMO2-MP2: Total energy | -127501.727789 |
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:707:VAL)
Summations of interaction energy for
fragment #1(A:707:VAL)
| 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. |
| -4.362 | -0.973 | 0.319 | -1.807 | -1.9 | 0.011 |
Interaction energy analysis for fragmet #1(A:707:VAL)
| 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 | 708 | ILE | 0 | -0.067 | 0.113 | 3.392 | -0.602 | 0.482 | 0.087 | -0.630 | -0.542 | 0.004 |
| 5 | A | 709 | GLN | 0 | -0.034 | -0.132 | 3.809 | -0.514 | 0.448 | -0.001 | -0.513 | -0.447 | 0.001 |
| 6 | A | 709 | GLN | 0 | -0.072 | 0.087 | 4.186 | 0.101 | 0.266 | 0.000 | -0.034 | -0.130 | 0.000 |
| 7 | A | 710 | LEU | 0 | 0.106 | -0.126 | 6.365 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 710 | LEU | 0 | -0.015 | 0.150 | 8.164 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 711 | GLY | 0 | 0.017 | -0.094 | 9.133 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 712 | ARG | 0 | 0.052 | 0.027 | 11.146 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 712 | ARG | 1 | 0.870 | 1.048 | 9.897 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 713 | ILE | 0 | 0.067 | -0.076 | 13.121 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 713 | ILE | 0 | -0.057 | 0.084 | 12.346 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 714 | TYR | 0 | 0.115 | -0.072 | 13.788 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 714 | TYR | 0 | -0.121 | 0.055 | 12.528 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 715 | LEU | 0 | 0.093 | -0.111 | 14.441 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 715 | LEU | 0 | -0.049 | 0.118 | 17.655 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 716 | ASP | 0 | 0.084 | -0.099 | 17.966 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 716 | ASP | -1 | -0.952 | -0.845 | 17.885 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 717 | MET | 0 | 0.069 | -0.096 | 15.962 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 717 | MET | 0 | -0.115 | 0.077 | 12.635 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 718 | LEU | 0 | 0.080 | -0.083 | 17.447 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 718 | LEU | 0 | -0.038 | 0.114 | 17.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 719 | ASN | 0 | 0.107 | -0.062 | 19.434 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 719 | ASN | 0 | -0.122 | 0.052 | 21.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 720 | VAL | 0 | 0.063 | -0.099 | 21.216 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 720 | VAL | 0 | -0.101 | 0.088 | 20.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 721 | TYR | 0 | 0.129 | -0.072 | 20.849 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 721 | TYR | 0 | -0.140 | 0.045 | 19.950 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 722 | LYS | 0 | 0.067 | -0.105 | 22.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 722 | LYS | 1 | 0.729 | 1.004 | 23.585 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 723 | CYS | 0 | 0.186 | -0.070 | 25.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 723 | CYS | 0 | -0.124 | 0.118 | 25.989 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 724 | LEU | 0 | 0.045 | -0.111 | 25.421 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 724 | LEU | 0 | -0.064 | 0.095 | 23.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 725 | SER | 0 | 0.103 | -0.065 | 26.094 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 725 | SER | 0 | -0.017 | 0.055 | 25.871 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 726 | GLU | 0 | 0.022 | -0.113 | 27.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 726 | GLU | -1 | -0.988 | -0.834 | 29.110 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 727 | ASN | 0 | 0.080 | -0.070 | 29.991 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 727 | ASN | 0 | -0.168 | 0.022 | 29.799 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 728 | ILE | 0 | 0.067 | -0.095 | 29.948 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 728 | ILE | 0 | -0.114 | 0.069 | 26.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 729 | SER | 0 | -0.001 | -0.095 | 31.207 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 729 | SER | 0 | -0.024 | 0.065 | 30.838 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 730 | ALA | 0 | 0.142 | -0.075 | 33.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 730 | ALA | 0 | -0.068 | 0.112 | 35.069 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 731 | ALA | 0 | 0.098 | -0.083 | 34.860 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 731 | ALA | 0 | -0.113 | 0.080 | 34.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 732 | ILE | 0 | 0.084 | -0.095 | 35.402 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 732 | ILE | 0 | -0.080 | 0.095 | 33.024 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 733 | GLN | 0 | 0.030 | -0.117 | 36.935 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 733 | GLN | 0 | -0.084 | 0.090 | 36.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 734 | ALA | 0 | 0.078 | -0.086 | 39.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 734 | ALA | 0 | -0.068 | 0.108 | 40.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 735 | ASN | 0 | -0.044 | -0.126 | 40.297 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 735 | ASN | 0 | -0.151 | 0.033 | 39.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 736 | GLY | 0 | 0.075 | -0.066 | 40.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 737 | GLU | 0 | 0.125 | -0.033 | 36.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 737 | GLU | -1 | -0.866 | -0.788 | 36.373 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 738 | MET | 0 | 0.016 | -0.135 | 36.400 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 738 | MET | 0 | -0.062 | 0.117 | 40.154 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 739 | VAL | 0 | 0.058 | -0.121 | 36.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 739 | VAL | 0 | -0.090 | 0.153 | 34.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 740 | THR | 0 | 0.031 | -0.125 | 32.554 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 740 | THR | 0 | -0.040 | 0.081 | 32.207 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 741 | LYS | 0 | 0.022 | -0.104 | 32.208 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 741 | LYS | 1 | 0.905 | 1.087 | 35.669 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 742 | GLN | 0 | 0.085 | -0.099 | 34.292 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 742 | GLN | 0 | -0.028 | 0.133 | 34.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 743 | PRO | 0 | 0.026 | -0.095 | 31.367 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 744 | LEU | 0 | 0.075 | 0.011 | 29.773 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 744 | LEU | 0 | -0.009 | 0.129 | 30.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 745 | ILE | 0 | 0.102 | -0.093 | 29.211 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 745 | ILE | 0 | -0.057 | 0.133 | 30.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 746 | ARG | 0 | 0.113 | -0.097 | 28.390 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 746 | ARG | 1 | 0.826 | 1.031 | 28.284 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 747 | SER | 0 | 0.024 | -0.055 | 25.565 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 747 | SER | 0 | -0.069 | 0.050 | 25.961 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 748 | MET | 0 | 0.095 | -0.090 | 24.402 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 748 | MET | 0 | -0.078 | 0.104 | 26.811 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 749 | ARG | 0 | 0.153 | -0.059 | 24.181 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 749 | ARG | 1 | 0.695 | 0.964 | 26.217 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 750 | THR | 0 | 0.033 | -0.081 | 22.437 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 750 | THR | 0 | -0.067 | 0.045 | 21.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 751 | VAL | 0 | 0.049 | -0.095 | 20.066 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 751 | VAL | 0 | -0.057 | 0.109 | 19.848 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 752 | LYS | 0 | 0.086 | -0.086 | 19.285 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 752 | LYS | 1 | 0.762 | 1.006 | 22.231 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 753 | ARG | 0 | 0.112 | -0.058 | 19.175 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 753 | ARG | 1 | 0.638 | 0.949 | 19.751 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 754 | GLU | 0 | 0.117 | -0.117 | 16.384 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 754 | GLU | -1 | -0.894 | -0.810 | 15.967 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 755 | THR | 0 | 0.007 | -0.097 | 14.706 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 755 | THR | 0 | -0.063 | 0.054 | 15.900 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 756 | LEU | 0 | 0.086 | -0.092 | 14.403 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 756 | LEU | 0 | -0.062 | 0.124 | 17.462 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 757 | LYS | 0 | 0.108 | -0.071 | 14.077 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 757 | LYS | 1 | 0.775 | 1.023 | 13.964 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 758 | LEU | 0 | 0.056 | -0.100 | 10.494 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 758 | LEU | 0 | -0.081 | 0.099 | 10.236 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 759 | ILE | 0 | 0.119 | -0.100 | 9.523 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 759 | ILE | 0 | -0.060 | 0.129 | 12.550 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 760 | SER | 0 | -0.002 | -0.125 | 10.496 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 760 | SER | 0 | -0.039 | 0.068 | 12.715 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 761 | GLY | 0 | 0.016 | -0.063 | 8.577 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 762 | TRP | 0 | 0.074 | 0.023 | 5.708 | 1.249 | 1.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 762 | TRP | 0 | -0.074 | 0.085 | 4.953 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 763 | VAL | 0 | 0.066 | -0.116 | 6.555 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 763 | VAL | 0 | -0.027 | 0.142 | 10.808 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 764 | SER | 0 | 0.115 | -0.054 | 9.171 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 764 | SER | 0 | -0.066 | 0.061 | 8.812 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 765 | ARG | 0 | -0.007 | -0.077 | 5.206 | -0.490 | -0.473 | -0.002 | 0.000 | -0.015 | 0.000 |
| 114 | A | 765 | ARG | 1 | 0.764 | 0.987 | 2.984 | -5.960 | -4.799 | 0.235 | -0.630 | -0.766 | 0.006 |
| 115 | A | 766 | SER | 0 | 0.064 | -0.087 | 5.695 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 766 | SER | 0 | -0.028 | 0.058 | 8.471 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 767 | ASN | 0 | 0.001 | -0.076 | 7.751 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 767 | ASN | 0 | -0.083 | 0.057 | 8.992 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 768 | ASP | 0 | 0.123 | -0.127 | 10.234 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 768 | ASP | -1 | -0.924 | -0.788 | 13.021 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 769 | PRO | 0 | -0.001 | -0.116 | 13.271 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 770 | GLN | 0 | 0.167 | 0.045 | 14.961 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 770 | GLN | 0 | -0.144 | 0.057 | 18.483 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 771 | MET | 0 | 0.177 | -0.081 | 15.776 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 771 | MET | 0 | -0.138 | 0.106 | 11.886 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 772 | VAL | 0 | 0.074 | -0.096 | 13.457 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 772 | VAL | 0 | -0.107 | 0.084 | 11.472 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 773 | ALA | 0 | 0.074 | -0.110 | 14.540 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 773 | ALA | 0 | -0.027 | 0.121 | 18.101 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 774 | GLU | 0 | 0.061 | -0.120 | 17.937 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 774 | GLU | -1 | -0.952 | -0.819 | 19.394 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 775 | ASN | 0 | 0.040 | -0.096 | 17.457 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 775 | ASN | 0 | -0.143 | 0.044 | 16.477 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 776 | PHE | 0 | 0.009 | -0.116 | 14.571 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 776 | PHE | 0 | -0.074 | 0.082 | 11.291 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 777 | VAL | 0 | 0.095 | -0.064 | 16.098 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 777 | VAL | 0 | -0.057 | 0.121 | 16.433 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 778 | PRO | 0 | 0.078 | -0.072 | 18.128 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 779 | PRO | 0 | 0.000 | -0.008 | 18.391 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 780 | LEU | 0 | 0.147 | 0.027 | 18.009 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 780 | LEU | 0 | -0.112 | 0.088 | 15.728 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 781 | LEU | 0 | 0.007 | -0.128 | 19.281 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 781 | LEU | 0 | -0.032 | 0.106 | 20.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 782 | ASP | 0 | 0.102 | -0.082 | 22.405 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 782 | ASP | -1 | -0.901 | -0.809 | 23.813 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 783 | ALA | 0 | 0.054 | -0.117 | 21.792 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 783 | ALA | 0 | -0.081 | 0.103 | 21.013 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 784 | VAL | 0 | -0.004 | -0.119 | 22.007 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 784 | VAL | 0 | -0.063 | 0.090 | 19.925 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 785 | LEU | 0 | 0.047 | -0.103 | 23.312 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 785 | LEU | 0 | -0.049 | 0.112 | 23.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 786 | ILE | 0 | 0.196 | -0.067 | 25.896 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 786 | ILE | 0 | -0.081 | 0.096 | 28.839 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 787 | ASP | 0 | 0.050 | -0.094 | 26.821 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 787 | ASP | -1 | -0.822 | -0.749 | 25.736 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 788 | TYR | 0 | 0.104 | -0.085 | 26.815 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 788 | TYR | 0 | -0.119 | 0.056 | 25.652 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 789 | GLN | 0 | 0.129 | -0.077 | 27.933 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 789 | GLN | 0 | -0.147 | 0.066 | 30.448 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 790 | ARG | 0 | 0.011 | -0.085 | 31.028 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 790 | ARG | 1 | 0.820 | 1.031 | 32.773 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 791 | ASN | 0 | 0.090 | -0.055 | 31.134 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 791 | ASN | 0 | -0.142 | 0.047 | 29.775 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 792 | VAL | 0 | 0.064 | -0.117 | 32.469 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 792 | VAL | 0 | -0.062 | 0.120 | 34.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 793 | PRO | 0 | 0.077 | -0.094 | 32.595 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 794 | ALA | 0 | 0.110 | 0.009 | 31.838 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 794 | ALA | 0 | -0.071 | 0.118 | 34.055 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 795 | ALA | 0 | 0.018 | -0.125 | 30.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 795 | ALA | 0 | -0.050 | 0.103 | 30.689 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 796 | ARG | 0 | 0.034 | -0.116 | 28.062 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 796 | ARG | 1 | 0.746 | 1.010 | 28.470 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 797 | GLU | 0 | 0.048 | -0.107 | 23.773 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 797 | GLU | -1 | -0.836 | -0.766 | 22.977 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 798 | PRO | 0 | 0.043 | -0.081 | 23.791 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 799 | GLU | 0 | 0.094 | -0.009 | 19.840 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 799 | GLU | -1 | -0.800 | -0.755 | 18.846 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 800 | VAL | 0 | 0.084 | -0.071 | 19.445 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 800 | VAL | 0 | -0.022 | 0.123 | 21.715 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 801 | LEU | 0 | 0.087 | -0.104 | 20.683 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 801 | LEU | 0 | -0.071 | 0.114 | 23.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 802 | SER | 0 | 0.040 | -0.062 | 18.981 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 802 | SER | 0 | -0.076 | 0.036 | 18.350 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 803 | THR | 0 | 0.028 | -0.087 | 16.053 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 803 | THR | 0 | -0.030 | 0.062 | 15.320 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 804 | MET | 0 | 0.058 | -0.096 | 16.846 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 804 | MET | 0 | -0.089 | 0.100 | 20.505 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 805 | ALA | 0 | 0.153 | -0.098 | 19.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 805 | ALA | 0 | -0.073 | 0.117 | 19.354 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 806 | ILE | 0 | 0.035 | -0.072 | 14.784 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 806 | ILE | 0 | -0.107 | 0.076 | 12.672 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 807 | ILE | 0 | 0.054 | -0.105 | 14.867 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 807 | ILE | 0 | -0.080 | 0.085 | 14.030 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 808 | VAL | 0 | 0.073 | -0.103 | 15.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 808 | VAL | 0 | -0.073 | 0.113 | 20.180 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 809 | ASN | 0 | 0.095 | -0.076 | 17.255 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 809 | ASN | 0 | -0.138 | 0.035 | 16.692 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 810 | LYS | 0 | 0.058 | -0.080 | 13.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 810 | LYS | 1 | 0.688 | 0.988 | 9.537 | -1.047 | -1.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 811 | LEU | 0 | 0.003 | -0.137 | 14.784 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 811 | LEU | 0 | -0.093 | 0.094 | 13.796 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 812 | GLY | 0 | 0.092 | -0.067 | 17.105 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 813 | GLY | 0 | 0.043 | 0.015 | 20.653 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 814 | HIS | 0 | 0.067 | 0.014 | 19.968 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 814 | HIS | 0 | -0.070 | 0.081 | 18.759 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 815 | ILE | 0 | 0.049 | -0.074 | 21.002 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 815 | ILE | 0 | -0.059 | 0.089 | 18.719 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 816 | THR | 0 | 0.117 | -0.092 | 22.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 816 | THR | 0 | -0.059 | 0.079 | 24.015 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 817 | ALA | 0 | 0.088 | -0.105 | 25.256 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 817 | ALA | 0 | -0.082 | 0.106 | 26.442 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 818 | GLU | 0 | 0.047 | -0.117 | 24.243 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 818 | GLU | -1 | -0.939 | -0.829 | 22.678 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 819 | ILE | 0 | -0.049 | -0.115 | 25.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 819 | ILE | 0 | -0.032 | 0.115 | 23.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 820 | PRO | 0 | 0.090 | -0.094 | 26.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 821 | GLN | 0 | 0.137 | 0.059 | 28.312 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 821 | GLN | 0 | -0.143 | 0.048 | 26.300 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 822 | ILE | 0 | 0.112 | -0.095 | 25.441 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 822 | ILE | 0 | -0.134 | 0.078 | 22.741 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 823 | PHE | 0 | 0.028 | -0.114 | 26.608 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 823 | PHE | 0 | -0.025 | 0.106 | 26.591 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 824 | ASP | 0 | 0.111 | -0.117 | 29.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 824 | ASP | -1 | -0.950 | -0.799 | 31.954 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 825 | ALA | 0 | 0.030 | -0.109 | 28.871 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 825 | ALA | 0 | -0.055 | 0.119 | 28.026 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 826 | VAL | 0 | -0.003 | -0.123 | 27.181 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 826 | VAL | 0 | -0.055 | 0.093 | 25.390 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 827 | PHE | 0 | 0.140 | -0.046 | 28.711 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 827 | PHE | 0 | -0.069 | 0.102 | 29.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 828 | GLU | 0 | 0.124 | -0.131 | 30.692 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 828 | GLU | -1 | -0.909 | -0.791 | 34.671 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 829 | CYS | 0 | 0.054 | -0.118 | 33.206 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 829 | CYS | 0 | -0.105 | 0.127 | 31.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 830 | THR | 0 | 0.041 | -0.116 | 30.184 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 830 | THR | 0 | -0.035 | 0.064 | 28.637 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 831 | LEU | 0 | 0.144 | -0.057 | 31.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 831 | LEU | 0 | -0.103 | 0.124 | 33.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 832 | ASN | 0 | 0.019 | -0.078 | 34.000 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 832 | ASN | 0 | -0.123 | 0.050 | 36.882 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 833 | MET | 0 | 0.115 | -0.091 | 33.771 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 833 | MET | 0 | -0.093 | 0.105 | 30.721 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 834 | ILE | 0 | 0.011 | -0.112 | 32.974 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 834 | ILE | 0 | -0.109 | 0.104 | 30.801 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 835 | ASN | 0 | 0.134 | -0.029 | 34.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 835 | ASN | 0 | -0.050 | 0.067 | 37.052 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 836 | LYS | 0 | 0.030 | -0.111 | 37.420 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 836 | LYS | 1 | 0.772 | 1.004 | 38.496 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 837 | ASP | 0 | 0.076 | -0.081 | 38.165 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 837 | ASP | -1 | -0.932 | -0.849 | 42.139 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 838 | PHE | 0 | 0.150 | -0.072 | 39.515 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 838 | PHE | 0 | -0.130 | 0.081 | 39.352 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 839 | GLU | 0 | 0.020 | -0.095 | 35.790 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 839 | GLU | -1 | -0.857 | -0.791 | 34.352 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 840 | GLU | 0 | 0.103 | -0.124 | 34.513 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 840 | GLU | -1 | -0.953 | -0.819 | 35.199 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 841 | TYR | 0 | -0.043 | -0.119 | 31.068 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 841 | TYR | 0 | -0.079 | 0.072 | 31.030 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 842 | PRO | 0 | 0.107 | -0.083 | 30.001 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 843 | GLU | 0 | 0.121 | -0.007 | 26.126 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 843 | GLU | -1 | -1.005 | -0.842 | 22.717 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 844 | HIS | 0 | 0.066 | -0.110 | 25.890 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 844 | HIS | 0 | -0.086 | 0.066 | 27.864 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 845 | ARG | 0 | 0.154 | -0.067 | 27.507 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 845 | ARG | 1 | 0.687 | 0.992 | 30.522 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 846 | THR | 0 | -0.016 | -0.099 | 26.207 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 846 | THR | 0 | -0.074 | 0.055 | 24.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 847 | ASN | 0 | 0.071 | -0.076 | 23.345 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 847 | ASN | 0 | -0.102 | 0.056 | 22.024 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 848 | PHE | 0 | 0.132 | -0.074 | 23.988 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 848 | PHE | 0 | -0.084 | 0.088 | 28.137 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 849 | PHE | 0 | 0.063 | -0.103 | 26.674 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 849 | PHE | 0 | -0.095 | 0.107 | 27.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 850 | LEU | 0 | 0.121 | -0.077 | 22.594 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 850 | LEU | 0 | -0.099 | 0.083 | 20.806 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 851 | LEU | 0 | 0.118 | -0.084 | 22.619 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 851 | LEU | 0 | -0.128 | 0.096 | 22.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 852 | LEU | 0 | 0.090 | -0.104 | 23.598 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 852 | LEU | 0 | -0.080 | 0.109 | 28.093 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 853 | GLN | 0 | 0.124 | -0.099 | 25.444 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 853 | GLN | 0 | -0.092 | 0.090 | 24.517 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 854 | ALA | 0 | 0.062 | -0.082 | 21.601 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 854 | ALA | 0 | -0.084 | 0.082 | 20.765 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 855 | VAL | 0 | 0.107 | -0.100 | 22.648 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 855 | VAL | 0 | -0.098 | 0.097 | 24.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 856 | ASN | 0 | 0.082 | -0.096 | 25.107 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 856 | ASN | 0 | -0.091 | 0.069 | 27.511 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 857 | SER | 0 | 0.012 | -0.097 | 24.036 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 857 | SER | 0 | -0.086 | 0.038 | 23.204 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 858 | HIS | 0 | -0.017 | -0.091 | 21.885 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 858 | HIS | 0 | -0.105 | 0.072 | 20.076 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 859 | CYS | 0 | 0.069 | -0.106 | 23.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 859 | CYS | 0 | -0.133 | 0.084 | 23.420 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 860 | PHE | 0 | 0.133 | -0.048 | 25.668 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 860 | PHE | 0 | -0.079 | 0.117 | 28.885 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 861 | PRO | 0 | 0.050 | -0.102 | 28.633 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 862 | ALA | 0 | 0.107 | 0.017 | 29.140 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 862 | ALA | 0 | -0.054 | 0.108 | 28.444 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 863 | PHE | 0 | -0.010 | -0.138 | 30.501 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 863 | PHE | 0 | -0.077 | 0.088 | 29.276 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 864 | LEU | 0 | 0.024 | -0.103 | 32.910 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 864 | LEU | 0 | -0.059 | 0.095 | 34.819 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 865 | ALA | 0 | 0.086 | -0.091 | 33.470 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 865 | ALA | 0 | -0.092 | 0.092 | 32.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 866 | ILE | 0 | 0.016 | -0.108 | 33.695 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 866 | ILE | 0 | -0.081 | 0.101 | 31.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 867 | PRO | 0 | 0.009 | -0.084 | 34.630 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 868 | PRO | 0 | 0.062 | 0.005 | 38.004 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 869 | THR | 0 | 0.046 | 0.023 | 40.077 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 869 | THR | 0 | -0.016 | 0.076 | 40.389 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 870 | GLN | 0 | 0.078 | -0.101 | 36.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 870 | GLN | 0 | -0.115 | 0.079 | 33.382 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 871 | PHE | 0 | 0.115 | -0.088 | 35.845 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 871 | PHE | 0 | -0.047 | 0.112 | 34.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 872 | LYS | 0 | 0.062 | -0.112 | 36.867 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 872 | LYS | 1 | 0.715 | 0.998 | 40.998 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 873 | LEU | 0 | 0.094 | -0.089 | 37.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 873 | LEU | 0 | -0.062 | 0.100 | 37.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 874 | VAL | 0 | 0.079 | -0.095 | 34.150 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 874 | VAL | 0 | -0.086 | 0.096 | 32.528 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 875 | LEU | 0 | 0.102 | -0.085 | 34.893 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 875 | LEU | 0 | -0.072 | 0.117 | 36.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 876 | ASP | 0 | 0.101 | -0.095 | 37.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 876 | ASP | -1 | -0.898 | -0.797 | 39.109 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 877 | SER | 0 | 0.013 | -0.076 | 34.411 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 877 | SER | 0 | -0.073 | 0.030 | 33.576 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 878 | ILE | 0 | 0.101 | -0.081 | 34.388 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 878 | ILE | 0 | -0.101 | 0.087 | 32.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 879 | ILE | 0 | 0.083 | -0.105 | 35.233 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 879 | ILE | 0 | -0.107 | 0.089 | 39.275 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 880 | TRP | 0 | 0.097 | -0.083 | 38.072 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 880 | TRP | 0 | -0.137 | 0.062 | 34.428 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 881 | ALA | 0 | 0.107 | -0.095 | 34.137 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 881 | ALA | 0 | -0.099 | 0.087 | 33.445 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 882 | PHE | 0 | 0.048 | -0.099 | 35.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 882 | PHE | 0 | -0.105 | 0.086 | 36.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 883 | LYS | 0 | 0.062 | -0.116 | 37.348 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 883 | LYS | 1 | 0.748 | 1.014 | 40.727 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 884 | HIS | 0 | 0.098 | -0.076 | 37.258 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 884 | HIS | 0 | -0.126 | 0.064 | 35.060 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 885 | THR | 0 | 0.024 | -0.076 | 38.383 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 885 | THR | 0 | -0.041 | 0.063 | 40.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 886 | MET | 0 | 0.091 | -0.095 | 35.288 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 886 | MET | 0 | -0.124 | 0.099 | 32.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 887 | ARG | 0 | 0.154 | -0.037 | 35.026 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 887 | ARG | 1 | 0.875 | 1.036 | 35.029 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 888 | ASN | 0 | 0.074 | -0.065 | 31.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 888 | ASN | 0 | -0.109 | 0.044 | 28.281 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 889 | VAL | 0 | 0.088 | -0.091 | 31.411 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 889 | VAL | 0 | -0.056 | 0.110 | 31.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 890 | ALA | 0 | 0.173 | -0.053 | 32.483 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 890 | ALA | 0 | -0.116 | 0.104 | 36.383 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 891 | ASP | 0 | 0.081 | -0.098 | 33.323 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 891 | ASP | -1 | -0.953 | -0.854 | 32.184 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 892 | THR | 0 | -0.051 | -0.124 | 29.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 892 | THR | 0 | -0.035 | 0.063 | 27.997 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 893 | GLY | 0 | 0.056 | -0.075 | 30.571 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 894 | LEU | 0 | 0.086 | 0.001 | 33.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 894 | LEU | 0 | -0.102 | 0.101 | 34.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 895 | GLN | 0 | 0.119 | -0.081 | 30.426 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 895 | GLN | 0 | -0.105 | 0.100 | 27.074 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 896 | ILE | 0 | 0.079 | -0.086 | 29.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 896 | ILE | 0 | -0.082 | 0.099 | 28.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 897 | LEU | 0 | 0.084 | -0.099 | 30.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 897 | LEU | 0 | -0.077 | 0.100 | 35.711 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 898 | PHE | 0 | 0.091 | -0.075 | 34.237 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 898 | PHE | 0 | -0.098 | 0.065 | 32.859 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 899 | THR | 0 | -0.015 | -0.096 | 30.217 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 899 | THR | 0 | -0.060 | 0.049 | 28.232 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 900 | LEU | 0 | 0.166 | -0.038 | 31.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 900 | LEU | 0 | -0.103 | 0.083 | 32.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 901 | LEU | 0 | 0.062 | -0.122 | 33.215 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 901 | LEU | 0 | -0.104 | 0.087 | 36.980 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 902 | GLN | 0 | 0.090 | -0.077 | 34.202 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 902 | GLN | 0 | -0.089 | 0.093 | 33.071 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 903 | ASN | 0 | 0.061 | -0.106 | 32.151 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 903 | ASN | 0 | -0.069 | 0.072 | 29.162 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 904 | VAL | 0 | 0.062 | -0.094 | 33.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 904 | VAL | 0 | -0.111 | 0.079 | 35.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 905 | ALA | 0 | 0.125 | -0.087 | 36.631 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 905 | ALA | 0 | -0.077 | 0.105 | 37.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 906 | GLN | 0 | 0.052 | -0.104 | 34.511 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 906 | GLN | 0 | -0.127 | 0.067 | 32.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 907 | GLU | 0 | 0.087 | -0.045 | 36.041 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 907 | GLU | -1 | -1.016 | -0.877 | 33.520 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 908 | GLU | 0 | 0.126 | -0.134 | 37.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 908 | GLU | -1 | -1.009 | -0.847 | 39.588 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 909 | ALA | 0 | 0.044 | -0.110 | 40.245 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 909 | ALA | 0 | -0.086 | 0.096 | 40.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 910 | ALA | 0 | 0.012 | -0.124 | 39.944 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 910 | ALA | 0 | -0.043 | 0.108 | 39.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 911 | ALA | 0 | 0.078 | -0.134 | 40.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 911 | ALA | 0 | -0.050 | 0.145 | 40.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 912 | GLN | 0 | 0.038 | -0.101 | 41.328 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 912 | GLN | 0 | -0.039 | 0.089 | 44.963 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 913 | SER | 0 | 0.049 | -0.062 | 44.217 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 913 | SER | 0 | -0.022 | 0.061 | 43.135 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 914 | PHE | 0 | 0.134 | -0.047 | 40.890 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 914 | PHE | 0 | -0.076 | 0.092 | 38.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 915 | TYR | 0 | 0.022 | -0.121 | 42.263 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 915 | TYR | 0 | -0.044 | 0.097 | 40.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 916 | GLN | 0 | 0.169 | -0.063 | 44.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 916 | GLN | 0 | -0.157 | 0.036 | 47.499 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 917 | THR | 0 | -0.021 | -0.093 | 45.041 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 917 | THR | 0 | -0.081 | 0.036 | 44.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 918 | TYR | 0 | 0.018 | -0.118 | 42.644 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 918 | TYR | 0 | -0.039 | 0.111 | 41.090 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 919 | PHE | 0 | 0.127 | -0.065 | 44.015 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 919 | PHE | 0 | -0.083 | 0.083 | 44.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 920 | CYS | 0 | 0.150 | -0.102 | 45.072 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 920 | CYS | 0 | -0.091 | 0.108 | 49.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 921 | ASP | 0 | 0.090 | -0.051 | 45.848 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 921 | ASP | -1 | -0.946 | -0.831 | 44.148 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 922 | ILE | 0 | 0.112 | -0.090 | 42.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 922 | ILE | 0 | -0.074 | 0.097 | 39.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 923 | LEU | 0 | 0.099 | -0.108 | 43.214 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 923 | LEU | 0 | -0.095 | 0.101 | 45.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 924 | GLN | 0 | 0.116 | -0.084 | 45.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 924 | GLN | 0 | -0.112 | 0.086 | 48.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 925 | HIS | 0 | 0.047 | -0.106 | 43.777 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 925 | HIS | 0 | -0.084 | 0.101 | 43.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 926 | ILE | 0 | 0.138 | -0.081 | 42.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 926 | ILE | 0 | -0.066 | 0.114 | 39.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 927 | PHE | 0 | 0.086 | -0.112 | 43.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 927 | PHE | 0 | -0.091 | 0.095 | 48.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 928 | SER | 0 | 0.020 | -0.039 | 47.075 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 928 | SER | 0 | -0.048 | 0.037 | 45.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 929 | VAL | 0 | 0.084 | -0.099 | 43.515 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 929 | VAL | 0 | -0.084 | 0.095 | 41.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 930 | VAL | 0 | 0.042 | -0.104 | 45.038 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 930 | VAL | 0 | -0.108 | 0.080 | 44.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 931 | THR | 0 | 0.061 | -0.082 | 46.618 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 931 | THR | 0 | -0.117 | 0.033 | 49.577 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 932 | ASP | 0 | 0.076 | -0.095 | 47.919 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 932 | ASP | -1 | -0.946 | -0.818 | 47.031 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 933 | THR | 0 | 0.033 | -0.105 | 48.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 933 | THR | 0 | -0.053 | 0.082 | 51.773 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 934 | SER | 0 | -0.013 | -0.089 | 48.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 934 | SER | 0 | -0.057 | 0.061 | 47.022 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 935 | HIS | 0 | 0.040 | -0.117 | 44.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 935 | HIS | 0 | -0.048 | 0.132 | 40.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 936 | THR | 0 | 0.021 | -0.075 | 43.980 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 936 | THR | 0 | -0.043 | 0.037 | 43.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 937 | ALA | 0 | 0.073 | -0.117 | 39.992 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 937 | ALA | 0 | -0.077 | 0.124 | 39.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 938 | GLY | 0 | 0.078 | -0.071 | 37.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 939 | LEU | 0 | 0.076 | -0.007 | 38.758 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 939 | LEU | 0 | -0.078 | 0.120 | 42.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 940 | THR | 0 | 0.044 | -0.078 | 38.851 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 940 | THR | 0 | -0.043 | 0.037 | 37.800 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 941 | MET | 0 | 0.132 | -0.064 | 36.754 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 941 | MET | 0 | -0.062 | 0.120 | 33.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 942 | HIS | 0 | 0.034 | -0.102 | 37.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 942 | HIS | 0 | -0.019 | 0.095 | 40.103 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 943 | ALA | 0 | 0.152 | -0.065 | 41.182 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 943 | ALA | 0 | -0.071 | 0.100 | 42.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 944 | SER | 0 | 0.058 | -0.060 | 38.551 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 944 | SER | 0 | -0.060 | 0.049 | 36.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 945 | ILE | 0 | 0.100 | -0.079 | 39.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 945 | ILE | 0 | -0.121 | 0.085 | 36.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 946 | LEU | 0 | 0.050 | -0.112 | 40.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 946 | LEU | 0 | -0.087 | 0.090 | 43.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 947 | ALA | 0 | 0.077 | -0.100 | 43.595 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 947 | ALA | 0 | -0.049 | 0.116 | 43.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 948 | TYR | 0 | 0.143 | -0.065 | 40.721 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 948 | TYR | 0 | -0.129 | 0.062 | 38.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 949 | MET | 0 | 0.067 | -0.105 | 42.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 949 | MET | 0 | -0.142 | 0.075 | 42.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 950 | PHE | 0 | 0.086 | -0.103 | 44.146 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 950 | PHE | 0 | -0.107 | 0.083 | 47.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 951 | ASN | 0 | 0.183 | -0.039 | 45.208 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 951 | ASN | 0 | -0.134 | 0.055 | 43.763 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 952 | LEU | 0 | 0.022 | -0.131 | 44.520 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 952 | LEU | 0 | -0.082 | 0.093 | 41.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 953 | VAL | 0 | 0.021 | -0.085 | 45.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 953 | VAL | 0 | -0.070 | 0.087 | 47.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 954 | GLU | 0 | 0.079 | -0.127 | 49.066 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 954 | GLU | -1 | -0.940 | -0.814 | 49.727 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 955 | GLU | 0 | 0.001 | -0.137 | 47.774 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 955 | GLU | -1 | -0.879 | -0.799 | 45.193 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 956 | GLY | 0 | -0.010 | -0.101 | 49.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 957 | LYS | 0 | 0.037 | -0.017 | 45.102 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 957 | LYS | 1 | 0.786 | 1.032 | 43.973 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 958 | ILE | 0 | 0.084 | -0.066 | 45.879 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 958 | ILE | 0 | -0.131 | 0.093 | 45.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 959 | SER | 0 | 0.103 | -0.072 | 47.630 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 959 | SER | 0 | -0.041 | 0.066 | 48.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 960 | THR | 0 | 0.031 | -0.045 | 49.265 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 960 | THR | 0 | -0.066 | 0.061 | 48.121 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 961 | SER | 0 | 0.079 | -0.064 | 50.916 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 961 | SER | 0 | -0.026 | 0.085 | 55.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 962 | LEU | 0 | 0.053 | -0.086 | 51.309 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 962 | LEU | 0 | -0.083 | 0.098 | 48.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 963 | ASN | 0 | 0.129 | -0.068 | 52.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 963 | ASN | 0 | -0.123 | 0.073 | 55.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 964 | PRO | 0 | 0.010 | -0.105 | 53.744 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 965 | GLY | 0 | -0.009 | 0.001 | 56.526 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 966 | ASN | 0 | 0.102 | 0.015 | 59.139 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 966 | ASN | 0 | -0.148 | 0.056 | 60.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 967 | PRO | 0 | 0.011 | -0.075 | 58.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 968 | VAL | 0 | 0.074 | 0.015 | 58.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 968 | VAL | 0 | -0.095 | 0.075 | 59.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 969 | ASN | 0 | 0.138 | -0.071 | 57.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 969 | ASN | 0 | -0.117 | 0.058 | 57.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 970 | ASN | 0 | 0.124 | -0.072 | 52.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 970 | ASN | 0 | -0.078 | 0.078 | 51.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 971 | GLN | 0 | 0.108 | -0.098 | 53.816 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 971 | GLN | 0 | -0.094 | 0.104 | 53.312 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 972 | ILE | 0 | 0.127 | -0.056 | 54.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 972 | ILE | 0 | -0.085 | 0.078 | 58.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 973 | PHE | 0 | 0.106 | -0.076 | 56.243 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 973 | PHE | 0 | -0.073 | 0.101 | 52.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 974 | LEU | 0 | 0.105 | -0.088 | 52.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 974 | LEU | 0 | -0.094 | 0.101 | 49.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 975 | GLN | 0 | 0.064 | -0.114 | 53.719 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 975 | GLN | 0 | -0.090 | 0.080 | 55.972 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 976 | GLU | 0 | 0.066 | -0.112 | 56.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 976 | GLU | -1 | -1.019 | -0.866 | 58.453 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 977 | TYR | 0 | 0.065 | -0.084 | 54.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 977 | TYR | 0 | -0.144 | 0.056 | 49.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 978 | VAL | 0 | 0.088 | -0.104 | 53.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 978 | VAL | 0 | -0.064 | 0.111 | 51.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 979 | ALA | 0 | 0.162 | -0.076 | 53.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 979 | ALA | 0 | -0.097 | 0.087 | 58.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 980 | ASN | 0 | 0.015 | -0.094 | 57.435 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 980 | ASN | 0 | -0.091 | 0.065 | 58.060 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 981 | LEU | 0 | 0.099 | -0.081 | 53.783 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 981 | LEU | 0 | -0.044 | 0.107 | 51.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 982 | LEU | 0 | 0.083 | -0.090 | 55.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 982 | LEU | 0 | -0.086 | 0.098 | 52.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 983 | LYS | 0 | 0.090 | -0.096 | 56.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 983 | LYS | 1 | 0.746 | 0.989 | 60.254 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 984 | SER | 0 | -0.012 | -0.096 | 57.886 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 984 | SER | 0 | -0.091 | 0.036 | 56.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 985 | ALA | 0 | 0.075 | -0.068 | 55.130 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 985 | ALA | 0 | -0.072 | 0.094 | 54.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 986 | PHE | 0 | -0.029 | -0.115 | 56.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 986 | PHE | 0 | -0.073 | 0.096 | 53.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 987 | PRO | 0 | 0.054 | -0.095 | 59.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 988 | HIS | 0 | 0.019 | -0.005 | 62.296 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 988 | HIS | 0 | -0.036 | 0.092 | 60.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 989 | LEU | 0 | 0.006 | -0.137 | 60.969 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 989 | LEU | 0 | -0.040 | 0.131 | 57.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 990 | GLN | 0 | 0.169 | -0.067 | 62.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 990 | GLN | 0 | -0.110 | 0.090 | 65.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 991 | ASP | 0 | 0.104 | -0.077 | 63.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 991 | ASP | -1 | -0.935 | -0.827 | 64.445 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 992 | ALA | 0 | 0.130 | -0.088 | 62.924 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 992 | ALA | 0 | -0.071 | 0.096 | 65.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 993 | GLN | 0 | 0.032 | -0.111 | 62.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 993 | GLN | 0 | -0.061 | 0.087 | 61.616 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 994 | VAL | 0 | 0.105 | -0.081 | 58.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 994 | VAL | 0 | -0.082 | 0.121 | 57.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 995 | LYS | 0 | 0.163 | -0.053 | 58.263 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 995 | LYS | 1 | 0.853 | 1.060 | 60.956 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 996 | LEU | 0 | 0.048 | -0.104 | 59.070 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 996 | LEU | 0 | -0.099 | 0.086 | 60.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 997 | PHE | 0 | 0.111 | -0.075 | 56.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 997 | PHE | 0 | -0.061 | 0.114 | 51.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 998 | VAL | 0 | 0.095 | -0.089 | 54.195 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 998 | VAL | 0 | -0.082 | 0.102 | 53.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 999 | THR | 0 | -0.004 | -0.106 | 54.252 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 999 | THR | 0 | -0.064 | 0.047 | 57.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 1000 | GLY | 0 | 0.023 | -0.085 | 54.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 1001 | LEU | 0 | 0.068 | 0.006 | 50.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 1001 | LEU | 0 | -0.101 | 0.084 | 49.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 1002 | PHE | 0 | 0.097 | -0.082 | 49.903 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 1002 | PHE | 0 | -0.162 | 0.058 | 52.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 1003 | SER | 0 | 0.091 | -0.064 | 51.056 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 1003 | SER | 0 | -0.096 | 0.027 | 53.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 1004 | LEU | 0 | 0.005 | -0.078 | 49.646 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 1004 | LEU | 0 | -0.086 | 0.091 | 48.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 1005 | ASN | 0 | 0.099 | -0.083 | 46.841 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 1005 | ASN | 0 | -0.100 | 0.063 | 47.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 1006 | GLN | 0 | 0.061 | -0.106 | 44.385 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 1006 | GLN | 0 | -0.096 | 0.091 | 44.734 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 1007 | ASP | 0 | 0.084 | -0.125 | 44.536 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 1007 | ASP | -1 | -0.937 | -0.808 | 46.099 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 1008 | ILE | 0 | 0.064 | -0.098 | 41.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 1008 | ILE | 0 | -0.067 | 0.111 | 40.007 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 1009 | PRO | 0 | -0.052 | -0.148 | 42.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 1010 | ALA | 0 | 0.139 | 0.014 | 44.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 1010 | ALA | 0 | -0.032 | 0.129 | 48.484 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 1011 | PHE | 0 | 0.154 | -0.090 | 46.498 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 1011 | PHE | 0 | -0.146 | 0.109 | 45.454 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 1012 | LYS | 0 | 0.131 | -0.089 | 44.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 1012 | LYS | 1 | 0.744 | 1.019 | 40.665 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 1013 | GLU | 0 | 0.000 | -0.101 | 45.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 1013 | GLU | -1 | -0.897 | -0.806 | 45.724 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 1014 | HIS | 0 | 0.143 | -0.055 | 48.559 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 1014 | HIS | 0 | -0.113 | 0.070 | 50.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 1015 | LEU | 0 | -0.011 | -0.125 | 48.131 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 1015 | LEU | 0 | -0.059 | 0.076 | 45.564 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 1016 | ARG | 0 | 0.104 | -0.051 | 48.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 1016 | ARG | 1 | 0.734 | 0.974 | 44.172 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 1017 | ASP | 0 | 0.120 | -0.130 | 49.825 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 1017 | ASP | -1 | -1.016 | -0.838 | 53.358 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 1018 | PHE | 0 | 0.135 | -0.066 | 53.129 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 1018 | PHE | 0 | -0.095 | 0.077 | 52.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 1019 | LEU | 0 | 0.078 | -0.115 | 51.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 1019 | LEU | 0 | -0.106 | 0.103 | 48.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 1020 | VAL | 0 | 0.011 | -0.117 | 52.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 1020 | VAL | 0 | -0.074 | 0.102 | 52.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 1021 | GLN | 0 | 0.133 | -0.081 | 55.129 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 1021 | GLN | 0 | -0.108 | 0.085 | 57.283 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 1022 | ILE | 0 | 0.037 | -0.113 | 56.040 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 1022 | ILE | 0 | -0.094 | 0.107 | 54.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 1023 | LYS | 0 | 0.113 | -0.084 | 55.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 1023 | LYS | 1 | 0.839 | 1.054 | 53.066 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 1024 | GLU | 0 | 0.024 | -0.150 | 56.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 1024 | GLU | -1 | -1.004 | -0.837 | 57.980 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 1025 | PHE | 0 | 0.045 | -0.095 | 59.730 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 1025 | PHE | 0 | -0.093 | 0.086 | 60.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 1026 | ALA | 0 | 0.038 | -0.128 | 59.947 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 1026 | ALA | 0 | -0.073 | 0.113 | 58.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 1027 | GLY | 0 | -0.093 | -0.144 | 57.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |