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: 9M5N2
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 | 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 | 616 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -4694538.056358 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4567410.142832 |
| FMO2-HF: Total energy | -127127.913526 |
| FMO2-MP2: Total energy | -127496.848099 |
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. |
| -4.533 | -1.66 | 0.139 | -1.43 | -1.581 | 0.009 |
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 | -0.085 | 0.114 | 3.262 | -0.667 | 0.592 | 0.111 | -0.754 | -0.615 | 0.006 |
| 5 | A | 709 | GLN | 0 | 0.020 | -0.117 | 3.813 | -0.195 | 0.669 | -0.002 | -0.389 | -0.473 | 0.002 |
| 6 | A | 709 | GLN | 0 | -0.092 | 0.094 | 3.830 | -0.305 | -0.139 | 0.002 | -0.049 | -0.119 | 0.000 |
| 7 | A | 710 | LEU | 0 | 0.056 | -0.148 | 6.000 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 710 | LEU | 0 | 0.000 | 0.169 | 8.000 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 711 | GLY | 0 | 0.012 | -0.102 | 9.106 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 712 | ARG | 0 | 0.060 | 0.001 | 11.101 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 712 | ARG | 1 | 0.869 | 1.057 | 11.500 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 713 | ILE | 0 | 0.096 | -0.073 | 12.966 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 713 | ILE | 0 | -0.030 | 0.105 | 12.082 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 714 | TYR | 0 | 0.075 | -0.069 | 13.920 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 714 | TYR | 0 | -0.086 | 0.077 | 12.990 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 715 | LEU | 0 | 0.115 | -0.128 | 14.551 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 715 | LEU | 0 | -0.043 | 0.136 | 17.852 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 716 | ASP | 0 | 0.110 | -0.099 | 17.835 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 716 | ASP | -1 | -0.996 | -0.849 | 17.565 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 717 | MET | 0 | 0.034 | -0.121 | 16.201 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 717 | MET | 0 | -0.115 | 0.083 | 12.915 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 718 | LEU | 0 | 0.074 | -0.096 | 17.650 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 718 | LEU | 0 | -0.016 | 0.129 | 17.336 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 719 | ASN | 0 | 0.112 | -0.062 | 19.632 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 719 | ASN | 0 | -0.109 | 0.071 | 22.283 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 720 | VAL | 0 | 0.047 | -0.116 | 21.296 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 720 | VAL | 0 | -0.065 | 0.098 | 20.547 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 721 | TYR | 0 | 0.112 | -0.077 | 21.152 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 721 | TYR | 0 | -0.105 | 0.096 | 19.959 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 722 | LYS | 0 | 0.088 | -0.113 | 22.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 722 | LYS | 1 | 0.827 | 1.070 | 23.603 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 723 | CYS | 0 | 0.171 | -0.060 | 25.277 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 723 | CYS | 0 | -0.139 | 0.088 | 26.144 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 724 | LEU | 0 | 0.037 | -0.120 | 25.499 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 724 | LEU | 0 | -0.065 | 0.097 | 23.205 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 725 | SER | 0 | 0.014 | -0.099 | 26.285 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 725 | SER | 0 | -0.016 | 0.091 | 25.238 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 726 | GLU | 0 | 0.061 | -0.136 | 27.656 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 726 | GLU | -1 | -1.004 | -0.821 | 29.702 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 727 | ASN | 0 | 0.090 | -0.072 | 30.063 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 727 | ASN | 0 | -0.153 | 0.037 | 29.677 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 728 | ILE | 0 | 0.086 | -0.084 | 30.076 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 728 | ILE | 0 | -0.117 | 0.073 | 27.114 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 729 | SER | 0 | 0.001 | -0.094 | 31.329 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 729 | SER | 0 | -0.008 | 0.070 | 31.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 730 | ALA | 0 | 0.110 | -0.075 | 33.432 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 730 | ALA | 0 | -0.048 | 0.127 | 35.066 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 731 | ALA | 0 | 0.074 | -0.102 | 34.848 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 731 | ALA | 0 | -0.091 | 0.094 | 34.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 732 | ILE | 0 | 0.041 | -0.112 | 35.631 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 732 | ILE | 0 | -0.084 | 0.088 | 32.912 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 733 | GLN | 0 | -0.009 | -0.152 | 36.963 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 733 | GLN | 0 | -0.087 | 0.090 | 36.914 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 734 | ALA | 0 | 0.073 | -0.088 | 39.279 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 734 | ALA | 0 | -0.076 | 0.120 | 40.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 735 | ASN | 0 | -0.027 | -0.104 | 39.910 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 735 | ASN | 0 | -0.149 | 0.053 | 39.090 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 736 | GLY | 0 | 0.111 | -0.073 | 40.304 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 737 | GLU | 0 | 0.155 | -0.043 | 36.758 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 737 | GLU | -1 | -0.941 | -0.791 | 36.667 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 738 | MET | 0 | 0.039 | -0.117 | 36.453 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 738 | MET | 0 | -0.060 | 0.118 | 40.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 739 | VAL | 0 | 0.063 | -0.125 | 36.409 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 739 | VAL | 0 | -0.043 | 0.160 | 34.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 740 | THR | 0 | 0.023 | -0.114 | 32.604 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 740 | THR | 0 | -0.050 | 0.073 | 32.241 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 741 | LYS | 0 | -0.007 | -0.122 | 32.114 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 741 | LYS | 1 | 0.913 | 1.089 | 35.110 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 742 | GLN | 0 | 0.087 | -0.119 | 34.016 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 742 | GLN | 0 | -0.069 | 0.124 | 34.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 743 | PRO | 0 | 0.019 | -0.101 | 31.497 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 744 | LEU | 0 | 0.076 | -0.018 | 29.820 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 744 | LEU | 0 | -0.020 | 0.144 | 30.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 745 | ILE | 0 | 0.128 | -0.111 | 29.176 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 745 | ILE | 0 | -0.020 | 0.145 | 30.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 746 | ARG | 0 | 0.093 | -0.096 | 28.390 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 746 | ARG | 1 | 0.838 | 1.063 | 28.206 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 747 | SER | 0 | 0.014 | -0.087 | 25.429 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 747 | SER | 0 | -0.033 | 0.081 | 25.874 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 748 | MET | 0 | 0.073 | -0.111 | 24.255 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 748 | MET | 0 | -0.072 | 0.130 | 26.884 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 749 | ARG | 0 | 0.138 | -0.078 | 24.227 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 749 | ARG | 1 | 0.687 | 0.981 | 25.761 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 750 | THR | 0 | 0.003 | -0.092 | 22.252 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 750 | THR | 0 | -0.054 | 0.053 | 20.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 751 | VAL | 0 | 0.054 | -0.086 | 19.826 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 751 | VAL | 0 | -0.011 | 0.127 | 19.467 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 752 | LYS | 0 | 0.064 | -0.070 | 19.108 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 752 | LYS | 1 | 0.867 | 1.076 | 22.165 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 753 | ARG | 0 | 0.167 | -0.080 | 19.137 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 753 | ARG | 1 | 0.783 | 1.076 | 19.210 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 754 | GLU | 0 | 0.039 | -0.138 | 16.329 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 754 | GLU | -1 | -0.932 | -0.835 | 15.899 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 755 | THR | 0 | 0.005 | -0.095 | 14.605 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 755 | THR | 0 | -0.055 | 0.037 | 15.692 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 756 | LEU | 0 | 0.106 | -0.115 | 14.274 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 756 | LEU | 0 | -0.056 | 0.144 | 17.001 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 757 | LYS | 0 | 0.053 | -0.096 | 13.723 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 757 | LYS | 1 | 0.831 | 1.056 | 13.493 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 758 | LEU | 0 | 0.050 | -0.107 | 10.215 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 758 | LEU | 0 | -0.078 | 0.115 | 9.908 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 759 | ILE | 0 | 0.108 | -0.106 | 9.388 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 759 | ILE | 0 | -0.045 | 0.127 | 12.705 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 760 | SER | 0 | -0.004 | -0.119 | 10.644 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 760 | SER | 0 | -0.030 | 0.089 | 12.568 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 761 | GLY | 0 | -0.011 | -0.099 | 8.226 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 762 | TRP | 0 | 0.105 | 0.002 | 5.833 | 1.022 | 1.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 762 | TRP | 0 | -0.077 | 0.092 | 5.424 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 763 | VAL | 0 | 0.037 | -0.129 | 6.871 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 763 | VAL | 0 | -0.016 | 0.149 | 10.846 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 764 | SER | 0 | 0.063 | -0.072 | 9.188 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 764 | SER | 0 | -0.041 | 0.083 | 8.438 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 765 | ARG | 0 | -0.026 | -0.111 | 5.151 | -0.337 | -0.320 | -0.002 | -0.001 | -0.014 | 0.000 |
| 114 | A | 765 | ARG | 1 | 0.792 | 1.028 | 3.389 | -5.620 | -5.053 | 0.030 | -0.237 | -0.360 | 0.001 |
| 115 | A | 766 | SER | 0 | 0.050 | -0.077 | 5.594 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 766 | SER | 0 | -0.005 | 0.070 | 8.394 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 767 | ASN | 0 | -0.057 | -0.118 | 7.945 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 767 | ASN | 0 | -0.098 | 0.059 | 8.245 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 768 | ASP | 0 | 0.187 | -0.120 | 10.591 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 768 | ASP | -1 | -0.958 | -0.806 | 13.039 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 769 | PRO | 0 | 0.001 | -0.103 | 13.586 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 770 | GLN | 0 | 0.207 | 0.024 | 15.308 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 770 | GLN | 0 | -0.092 | 0.116 | 18.937 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 771 | MET | 0 | 0.150 | -0.074 | 15.828 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 771 | MET | 0 | -0.128 | 0.110 | 12.161 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 772 | VAL | 0 | 0.049 | -0.111 | 13.721 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 772 | VAL | 0 | -0.111 | 0.079 | 11.713 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 773 | ALA | 0 | 0.062 | -0.108 | 14.784 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 773 | ALA | 0 | -0.035 | 0.118 | 18.313 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 774 | GLU | 0 | 0.062 | -0.139 | 18.119 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 774 | GLU | -1 | -0.983 | -0.829 | 19.936 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 775 | ASN | 0 | 0.047 | -0.091 | 17.715 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 775 | ASN | 0 | -0.148 | 0.055 | 16.682 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 776 | PHE | 0 | 0.052 | -0.121 | 14.868 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 776 | PHE | 0 | -0.067 | 0.089 | 11.431 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 777 | VAL | 0 | 0.062 | -0.099 | 16.376 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 777 | VAL | 0 | -0.027 | 0.127 | 16.686 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 778 | PRO | 0 | 0.043 | -0.065 | 18.346 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 779 | PRO | 0 | -0.010 | -0.014 | 18.528 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 780 | LEU | 0 | 0.144 | 0.016 | 18.208 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 780 | LEU | 0 | -0.119 | 0.090 | 16.057 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 781 | LEU | 0 | -0.001 | -0.140 | 19.399 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 781 | LEU | 0 | -0.005 | 0.121 | 20.771 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 782 | ASP | 0 | 0.094 | -0.103 | 22.457 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 782 | ASP | -1 | -0.954 | -0.824 | 23.784 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 783 | ALA | 0 | 0.048 | -0.118 | 22.215 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 783 | ALA | 0 | -0.090 | 0.092 | 21.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 784 | VAL | 0 | -0.035 | -0.158 | 22.181 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 784 | VAL | 0 | -0.052 | 0.102 | 20.191 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 785 | LEU | 0 | 0.036 | -0.081 | 23.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 785 | LEU | 0 | -0.068 | 0.114 | 24.144 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 786 | ILE | 0 | 0.192 | -0.092 | 26.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 786 | ILE | 0 | -0.084 | 0.107 | 29.435 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 787 | ASP | 0 | 0.037 | -0.135 | 27.417 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 787 | ASP | -1 | -0.907 | -0.825 | 26.458 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 788 | TYR | 0 | 0.096 | -0.075 | 27.034 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 788 | TYR | 0 | -0.101 | 0.078 | 25.724 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 789 | GLN | 0 | 0.120 | -0.084 | 28.099 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 789 | GLN | 0 | -0.129 | 0.097 | 30.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 790 | ARG | 0 | -0.040 | -0.111 | 31.243 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 790 | ARG | 1 | 0.882 | 1.060 | 33.068 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 791 | ASN | 0 | 0.115 | -0.068 | 31.649 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 791 | ASN | 0 | -0.148 | 0.066 | 30.286 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 792 | VAL | 0 | 0.076 | -0.117 | 32.968 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 792 | VAL | 0 | -0.024 | 0.124 | 34.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 793 | PRO | 0 | 0.069 | -0.083 | 32.533 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 794 | ALA | 0 | 0.136 | -0.010 | 31.401 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 794 | ALA | 0 | -0.052 | 0.145 | 33.924 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 795 | ALA | 0 | 0.002 | -0.147 | 30.309 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 795 | ALA | 0 | -0.064 | 0.109 | 30.720 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 796 | ARG | 0 | 0.075 | -0.118 | 27.910 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 796 | ARG | 1 | 0.708 | 1.004 | 28.009 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 797 | GLU | 0 | 0.071 | -0.127 | 23.683 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 797 | GLU | -1 | -0.936 | -0.792 | 22.874 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 798 | PRO | 0 | 0.071 | -0.069 | 23.412 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 799 | GLU | 0 | 0.109 | 0.005 | 19.440 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 799 | GLU | -1 | -0.873 | -0.825 | 18.402 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 800 | VAL | 0 | 0.077 | -0.095 | 19.068 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 800 | VAL | 0 | -0.035 | 0.131 | 21.958 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 801 | LEU | 0 | 0.034 | -0.118 | 20.894 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 801 | LEU | 0 | -0.056 | 0.112 | 23.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 802 | SER | 0 | 0.072 | -0.073 | 19.008 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 802 | SER | 0 | -0.013 | 0.086 | 17.851 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 803 | THR | 0 | -0.028 | -0.099 | 16.131 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 803 | THR | 0 | -0.045 | 0.039 | 15.368 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 804 | MET | 0 | 0.064 | -0.104 | 16.773 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 804 | MET | 0 | -0.076 | 0.109 | 20.795 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 805 | ALA | 0 | 0.145 | -0.085 | 19.039 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 805 | ALA | 0 | -0.072 | 0.111 | 19.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 806 | ILE | 0 | 0.001 | -0.093 | 14.639 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 806 | ILE | 0 | -0.106 | 0.080 | 12.540 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 807 | ILE | 0 | 0.041 | -0.112 | 14.908 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 807 | ILE | 0 | -0.055 | 0.093 | 14.484 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 808 | VAL | 0 | 0.068 | -0.103 | 15.934 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 808 | VAL | 0 | -0.043 | 0.116 | 20.010 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 809 | ASN | 0 | 0.089 | -0.072 | 17.101 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 809 | ASN | 0 | -0.100 | 0.055 | 16.365 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 810 | LYS | 0 | 0.038 | -0.090 | 13.551 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 810 | LYS | 1 | 0.746 | 1.043 | 9.862 | -0.956 | -0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 811 | LEU | 0 | -0.015 | -0.138 | 14.773 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 811 | LEU | 0 | -0.098 | 0.103 | 14.371 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 812 | GLY | 0 | 0.084 | -0.075 | 17.174 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 813 | GLY | 0 | 0.027 | -0.013 | 20.563 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 814 | HIS | 0 | 0.073 | 0.014 | 20.101 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 814 | HIS | 0 | -0.086 | 0.075 | 18.832 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 815 | ILE | 0 | 0.064 | -0.088 | 21.132 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 815 | ILE | 0 | -0.045 | 0.100 | 18.908 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 816 | THR | 0 | 0.091 | -0.073 | 22.250 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 816 | THR | 0 | -0.029 | 0.076 | 24.478 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 817 | ALA | 0 | 0.099 | -0.115 | 25.380 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 817 | ALA | 0 | -0.071 | 0.125 | 26.713 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 818 | GLU | 0 | 0.039 | -0.133 | 24.221 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 818 | GLU | -1 | -0.982 | -0.842 | 22.689 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 819 | ILE | 0 | -0.059 | -0.128 | 25.691 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 819 | ILE | 0 | -0.006 | 0.116 | 23.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 820 | PRO | 0 | 0.036 | -0.092 | 26.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 821 | GLN | 0 | 0.198 | 0.030 | 28.352 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 821 | GLN | 0 | -0.113 | 0.101 | 26.121 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 822 | ILE | 0 | 0.074 | -0.098 | 25.393 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 822 | ILE | 0 | -0.102 | 0.091 | 22.742 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 823 | PHE | 0 | 0.029 | -0.124 | 26.676 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 823 | PHE | 0 | -0.041 | 0.106 | 26.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 824 | ASP | 0 | 0.077 | -0.136 | 29.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 824 | ASP | -1 | -0.972 | -0.820 | 31.696 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 825 | ALA | 0 | 0.029 | -0.100 | 28.969 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 825 | ALA | 0 | -0.061 | 0.116 | 28.062 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 826 | VAL | 0 | -0.015 | -0.122 | 27.429 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 826 | VAL | 0 | -0.038 | 0.097 | 25.698 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 827 | PHE | 0 | 0.091 | -0.055 | 28.956 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 827 | PHE | 0 | -0.030 | 0.117 | 29.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 828 | GLU | 0 | 0.137 | -0.129 | 30.920 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 828 | GLU | -1 | -0.949 | -0.806 | 34.984 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 829 | CYS | 0 | 0.036 | -0.120 | 33.398 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 829 | CYS | 0 | -0.103 | 0.116 | 31.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 830 | THR | 0 | 0.041 | -0.112 | 30.029 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 830 | THR | 0 | -0.056 | 0.024 | 28.403 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 831 | LEU | 0 | 0.144 | -0.076 | 31.416 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 831 | LEU | 0 | -0.093 | 0.133 | 33.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 832 | ASN | 0 | 0.024 | -0.103 | 33.831 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 832 | ASN | 0 | -0.096 | 0.070 | 36.577 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 833 | MET | 0 | 0.058 | -0.104 | 33.449 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 833 | MET | 0 | -0.089 | 0.117 | 30.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 834 | ILE | 0 | 0.070 | -0.104 | 32.945 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 834 | ILE | 0 | -0.120 | 0.101 | 30.832 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 835 | ASN | 0 | 0.091 | -0.040 | 34.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 835 | ASN | 0 | -0.031 | 0.086 | 36.960 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 836 | LYS | 0 | 0.023 | -0.113 | 37.291 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 836 | LYS | 1 | 0.774 | 1.016 | 38.426 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 837 | ASP | 0 | 0.111 | -0.051 | 38.472 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 837 | ASP | -1 | -0.969 | -0.893 | 41.929 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 838 | PHE | 0 | 0.133 | -0.072 | 38.875 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 838 | PHE | 0 | -0.130 | 0.076 | 39.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 839 | GLU | 0 | 0.071 | -0.065 | 35.713 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 839 | GLU | -1 | -0.952 | -0.853 | 34.750 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 840 | GLU | 0 | 0.087 | -0.149 | 34.889 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 840 | GLU | -1 | -1.030 | -0.846 | 35.117 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 841 | TYR | 0 | -0.033 | -0.153 | 30.834 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 841 | TYR | 0 | -0.032 | 0.128 | 30.761 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 842 | PRO | 0 | 0.066 | -0.107 | 29.462 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 843 | GLU | 0 | 0.105 | -0.033 | 25.914 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 843 | GLU | -1 | -0.993 | -0.823 | 22.692 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 844 | HIS | 0 | 0.092 | -0.104 | 25.405 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 844 | HIS | 0 | -0.081 | 0.088 | 27.756 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 845 | ARG | 0 | 0.141 | -0.086 | 27.113 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 845 | ARG | 1 | 0.785 | 1.078 | 29.928 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 846 | THR | 0 | -0.025 | -0.103 | 25.450 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 846 | THR | 0 | -0.053 | 0.060 | 23.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 847 | ASN | 0 | 0.087 | -0.062 | 22.902 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 847 | ASN | 0 | -0.114 | 0.050 | 21.625 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 848 | PHE | 0 | 0.097 | -0.076 | 23.710 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 848 | PHE | 0 | -0.081 | 0.074 | 28.051 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 849 | PHE | 0 | 0.042 | -0.109 | 26.276 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 849 | PHE | 0 | -0.097 | 0.109 | 27.306 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 850 | LEU | 0 | 0.135 | -0.066 | 22.087 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 850 | LEU | 0 | -0.105 | 0.081 | 20.114 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 851 | LEU | 0 | 0.116 | -0.106 | 22.396 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 851 | LEU | 0 | -0.124 | 0.107 | 22.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 852 | LEU | 0 | 0.078 | -0.115 | 23.372 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 852 | LEU | 0 | -0.072 | 0.114 | 27.842 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 853 | GLN | 0 | 0.098 | -0.114 | 25.020 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 853 | GLN | 0 | -0.076 | 0.118 | 24.065 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 854 | ALA | 0 | 0.058 | -0.090 | 21.499 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 854 | ALA | 0 | -0.083 | 0.093 | 20.744 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 855 | VAL | 0 | 0.090 | -0.108 | 22.638 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 855 | VAL | 0 | -0.085 | 0.099 | 24.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 856 | ASN | 0 | 0.076 | -0.092 | 25.027 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 856 | ASN | 0 | -0.104 | 0.074 | 27.315 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 857 | SER | 0 | -0.001 | -0.087 | 24.055 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 857 | SER | 0 | -0.072 | 0.052 | 23.252 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 858 | HIS | 0 | 0.002 | -0.082 | 21.931 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 858 | HIS | 0 | -0.104 | 0.077 | 20.097 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 859 | CYS | 0 | 0.047 | -0.113 | 23.453 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 859 | CYS | 0 | -0.121 | 0.089 | 23.348 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 860 | PHE | 0 | 0.181 | -0.061 | 25.604 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 860 | PHE | 0 | -0.050 | 0.126 | 28.878 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 861 | PRO | 0 | 0.032 | -0.085 | 28.214 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 862 | ALA | 0 | 0.116 | 0.007 | 28.957 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 862 | ALA | 0 | -0.042 | 0.116 | 28.239 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 863 | PHE | 0 | 0.002 | -0.143 | 30.277 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 863 | PHE | 0 | -0.066 | 0.097 | 29.493 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 864 | LEU | 0 | 0.022 | -0.114 | 32.598 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 864 | LEU | 0 | -0.069 | 0.097 | 34.197 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 865 | ALA | 0 | 0.086 | -0.084 | 33.098 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 865 | ALA | 0 | -0.119 | 0.082 | 32.344 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 866 | ILE | 0 | 0.009 | -0.105 | 33.680 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 866 | ILE | 0 | -0.086 | 0.087 | 32.041 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 867 | PRO | 0 | 0.003 | -0.059 | 34.788 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 868 | PRO | 0 | 0.093 | 0.024 | 38.040 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 869 | THR | 0 | 0.074 | 0.031 | 40.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 869 | THR | 0 | -0.051 | 0.053 | 39.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 870 | GLN | 0 | 0.101 | -0.083 | 36.300 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 870 | GLN | 0 | -0.071 | 0.082 | 33.843 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 871 | PHE | 0 | 0.104 | -0.104 | 35.530 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 871 | PHE | 0 | -0.052 | 0.116 | 34.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 872 | LYS | 0 | 0.050 | -0.105 | 36.593 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 872 | LYS | 1 | 0.834 | 1.077 | 40.669 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 873 | LEU | 0 | 0.096 | -0.092 | 37.182 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 873 | LEU | 0 | -0.070 | 0.101 | 36.495 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 874 | VAL | 0 | 0.058 | -0.103 | 33.904 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 874 | VAL | 0 | -0.072 | 0.099 | 32.430 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 875 | LEU | 0 | 0.113 | -0.120 | 34.659 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 875 | LEU | 0 | -0.075 | 0.135 | 36.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 876 | ASP | 0 | 0.070 | -0.115 | 37.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 876 | ASP | -1 | -0.958 | -0.838 | 38.504 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 877 | SER | 0 | -0.024 | -0.081 | 34.283 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 877 | SER | 0 | -0.034 | 0.054 | 33.497 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 878 | ILE | 0 | 0.111 | -0.094 | 34.035 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 878 | ILE | 0 | -0.091 | 0.105 | 32.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 879 | ILE | 0 | 0.086 | -0.108 | 34.928 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 879 | ILE | 0 | -0.108 | 0.095 | 38.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 880 | TRP | 0 | 0.043 | -0.106 | 37.941 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 880 | TRP | 0 | -0.075 | 0.082 | 33.494 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 881 | ALA | 0 | 0.118 | -0.085 | 33.957 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 881 | ALA | 0 | -0.094 | 0.089 | 33.242 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 882 | PHE | 0 | -0.019 | -0.102 | 35.304 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 882 | PHE | 0 | -0.092 | 0.077 | 36.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 883 | LYS | 0 | 0.067 | -0.111 | 36.961 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 883 | LYS | 1 | 0.834 | 1.062 | 40.288 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 884 | HIS | 0 | 0.097 | -0.070 | 36.830 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 884 | HIS | 0 | -0.122 | 0.070 | 35.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 885 | THR | 0 | 0.061 | -0.069 | 38.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 885 | THR | 0 | -0.045 | 0.067 | 39.788 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 886 | MET | 0 | 0.087 | -0.119 | 35.013 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 886 | MET | 0 | -0.148 | 0.114 | 33.323 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 887 | ARG | 0 | 0.260 | -0.056 | 34.923 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 887 | ARG | 1 | 0.814 | 1.075 | 34.662 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 888 | ASN | 0 | 0.048 | -0.099 | 31.202 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 888 | ASN | 0 | -0.133 | 0.049 | 28.854 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 889 | VAL | 0 | 0.075 | -0.109 | 30.883 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 889 | VAL | 0 | -0.056 | 0.104 | 31.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 890 | ALA | 0 | 0.174 | -0.084 | 32.092 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 890 | ALA | 0 | -0.081 | 0.135 | 35.905 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 891 | ASP | 0 | 0.048 | -0.123 | 32.628 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 891 | ASP | -1 | -0.966 | -0.847 | 31.667 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 892 | THR | 0 | -0.071 | -0.126 | 29.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 892 | THR | 0 | 0.019 | 0.095 | 27.369 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 893 | GLY | 0 | 0.029 | -0.074 | 29.989 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 894 | LEU | 0 | 0.107 | -0.001 | 32.766 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 894 | LEU | 0 | -0.084 | 0.119 | 34.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 895 | GLN | 0 | 0.107 | -0.095 | 29.921 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 895 | GLN | 0 | -0.118 | 0.090 | 26.605 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 896 | ILE | 0 | 0.045 | -0.119 | 29.784 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 896 | ILE | 0 | -0.081 | 0.096 | 28.103 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 897 | LEU | 0 | 0.091 | -0.104 | 30.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 897 | LEU | 0 | -0.089 | 0.111 | 35.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 898 | PHE | 0 | 0.096 | -0.080 | 33.743 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 898 | PHE | 0 | -0.100 | 0.069 | 32.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 899 | THR | 0 | 0.008 | -0.091 | 29.903 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 899 | THR | 0 | -0.044 | 0.061 | 28.035 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 900 | LEU | 0 | 0.158 | -0.038 | 31.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 900 | LEU | 0 | -0.098 | 0.090 | 32.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 901 | LEU | 0 | 0.056 | -0.125 | 32.921 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 901 | LEU | 0 | -0.105 | 0.095 | 36.550 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 902 | GLN | 0 | 0.077 | -0.097 | 33.794 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 902 | GLN | 0 | -0.098 | 0.084 | 32.618 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 903 | ASN | 0 | 0.061 | -0.117 | 31.904 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 903 | ASN | 0 | -0.030 | 0.097 | 29.385 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 904 | VAL | 0 | 0.029 | -0.093 | 32.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 904 | VAL | 0 | -0.092 | 0.081 | 35.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 905 | ALA | 0 | 0.074 | -0.097 | 36.325 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 905 | ALA | 0 | -0.078 | 0.100 | 37.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 906 | GLN | 0 | 0.084 | -0.095 | 34.421 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 906 | GLN | 0 | -0.135 | 0.074 | 32.674 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 907 | GLU | 0 | 0.046 | -0.080 | 35.938 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 907 | GLU | -1 | -1.046 | -0.879 | 33.929 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 908 | GLU | 0 | 0.128 | -0.130 | 37.152 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 908 | GLU | -1 | -1.014 | -0.836 | 39.601 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 909 | ALA | 0 | 0.051 | -0.114 | 39.939 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 909 | ALA | 0 | -0.098 | 0.100 | 39.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 910 | ALA | 0 | 0.038 | -0.118 | 39.769 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 910 | ALA | 0 | -0.053 | 0.105 | 38.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 911 | ALA | 0 | 0.077 | -0.143 | 40.451 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 911 | ALA | 0 | -0.062 | 0.140 | 40.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 912 | GLN | 0 | 0.026 | -0.113 | 41.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 912 | GLN | 0 | 0.003 | 0.118 | 44.605 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 913 | SER | 0 | 0.031 | -0.053 | 44.119 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 913 | SER | 0 | 0.005 | 0.063 | 43.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 914 | PHE | 0 | 0.143 | -0.057 | 40.905 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 914 | PHE | 0 | -0.056 | 0.101 | 38.279 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 915 | TYR | 0 | 0.022 | -0.107 | 42.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 915 | TYR | 0 | -0.037 | 0.099 | 40.409 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 916 | GLN | 0 | 0.137 | -0.074 | 44.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 916 | GLN | 0 | -0.165 | 0.051 | 47.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 917 | THR | 0 | -0.008 | -0.080 | 44.866 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 917 | THR | 0 | -0.076 | 0.028 | 43.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 918 | TYR | 0 | 0.006 | -0.119 | 42.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 918 | TYR | 0 | -0.075 | 0.103 | 41.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 919 | PHE | 0 | 0.149 | -0.053 | 43.813 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 919 | PHE | 0 | -0.093 | 0.073 | 44.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 920 | CYS | 0 | 0.117 | -0.142 | 44.834 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 920 | CYS | 0 | -0.095 | 0.118 | 48.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 921 | ASP | 0 | 0.123 | -0.062 | 45.404 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 921 | ASP | -1 | -1.016 | -0.853 | 44.327 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 922 | ILE | 0 | 0.119 | -0.096 | 42.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 922 | ILE | 0 | -0.063 | 0.091 | 39.644 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 923 | LEU | 0 | 0.111 | -0.111 | 43.071 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 923 | LEU | 0 | -0.120 | 0.108 | 45.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 924 | GLN | 0 | 0.087 | -0.096 | 45.531 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 924 | GLN | 0 | -0.086 | 0.108 | 47.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 925 | HIS | 0 | 0.039 | -0.113 | 43.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 925 | HIS | 0 | -0.052 | 0.105 | 42.977 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 926 | ILE | 0 | 0.120 | -0.059 | 42.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 926 | ILE | 0 | -0.049 | 0.101 | 39.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 927 | PHE | 0 | 0.074 | -0.105 | 43.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 927 | PHE | 0 | -0.102 | 0.092 | 47.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 928 | SER | 0 | 0.027 | -0.059 | 46.950 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 928 | SER | 0 | -0.095 | 0.006 | 45.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 929 | VAL | 0 | 0.076 | -0.098 | 43.322 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 929 | VAL | 0 | -0.074 | 0.099 | 41.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 930 | VAL | 0 | 0.027 | -0.116 | 44.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 930 | VAL | 0 | -0.104 | 0.084 | 44.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 931 | THR | 0 | 0.010 | -0.075 | 46.144 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 931 | THR | 0 | -0.082 | 0.042 | 49.530 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 932 | ASP | 0 | 0.065 | -0.118 | 47.422 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 932 | ASP | -1 | -0.990 | -0.823 | 46.548 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 933 | THR | 0 | 0.014 | -0.084 | 47.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 933 | THR | 0 | -0.018 | 0.049 | 51.345 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 934 | SER | 0 | -0.021 | -0.088 | 47.976 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 934 | SER | 0 | -0.077 | 0.067 | 46.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 935 | HIS | 0 | 0.134 | -0.117 | 43.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 935 | HIS | 0 | -0.025 | 0.143 | 40.506 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 936 | THR | 0 | -0.035 | -0.053 | 43.487 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 936 | THR | 0 | -0.036 | 0.043 | 43.065 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 937 | ALA | 0 | 0.101 | -0.121 | 39.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 937 | ALA | 0 | -0.081 | 0.133 | 38.897 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 938 | GLY | 0 | 0.055 | -0.077 | 37.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 939 | LEU | 0 | 0.144 | -0.020 | 38.465 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 939 | LEU | 0 | -0.088 | 0.127 | 42.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 940 | THR | 0 | -0.035 | -0.089 | 38.589 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 940 | THR | 0 | -0.057 | 0.030 | 37.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 941 | MET | 0 | 0.118 | -0.081 | 36.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 941 | MET | 0 | -0.040 | 0.129 | 33.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 942 | HIS | 0 | 0.058 | -0.095 | 37.638 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 942 | HIS | 0 | 0.004 | 0.115 | 39.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 943 | ALA | 0 | 0.142 | -0.062 | 40.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 943 | ALA | 0 | -0.064 | 0.101 | 41.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 944 | SER | 0 | 0.046 | -0.053 | 38.231 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 944 | SER | 0 | -0.069 | 0.045 | 36.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 945 | ILE | 0 | 0.098 | -0.091 | 39.119 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 945 | ILE | 0 | -0.098 | 0.091 | 36.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 946 | LEU | 0 | 0.048 | -0.108 | 39.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 946 | LEU | 0 | -0.079 | 0.089 | 43.512 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 947 | ALA | 0 | 0.083 | -0.106 | 43.050 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 947 | ALA | 0 | -0.048 | 0.124 | 42.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 948 | TYR | 0 | 0.130 | -0.067 | 40.228 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 948 | TYR | 0 | -0.081 | 0.077 | 38.324 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 949 | MET | 0 | 0.060 | -0.110 | 41.688 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 949 | MET | 0 | -0.148 | 0.077 | 41.639 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 950 | PHE | 0 | 0.094 | -0.105 | 43.666 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 950 | PHE | 0 | -0.124 | 0.083 | 46.603 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 951 | ASN | 0 | 0.176 | -0.074 | 45.020 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 951 | ASN | 0 | -0.095 | 0.093 | 44.032 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 952 | LEU | 0 | -0.009 | -0.134 | 44.404 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 952 | LEU | 0 | -0.091 | 0.095 | 41.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 953 | VAL | 0 | 0.018 | -0.090 | 45.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 953 | VAL | 0 | -0.050 | 0.077 | 48.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 954 | GLU | 0 | 0.046 | -0.125 | 48.844 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 954 | GLU | -1 | -0.928 | -0.808 | 49.445 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 955 | GLU | 0 | -0.012 | -0.138 | 47.481 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 955 | GLU | -1 | -0.997 | -0.853 | 45.009 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 956 | GLY | 0 | -0.057 | -0.122 | 48.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 957 | LYS | 0 | 0.059 | -0.027 | 45.081 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 957 | LYS | 1 | 0.895 | 1.100 | 43.244 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 958 | ILE | 0 | 0.066 | -0.115 | 46.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 958 | ILE | 0 | -0.136 | 0.100 | 45.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 959 | SER | 0 | 0.106 | -0.065 | 47.586 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 959 | SER | 0 | -0.056 | 0.061 | 48.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 960 | THR | 0 | 0.006 | -0.058 | 49.118 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 960 | THR | 0 | -0.035 | 0.058 | 48.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 961 | SER | 0 | 0.078 | -0.058 | 50.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 961 | SER | 0 | -0.043 | 0.087 | 54.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 962 | LEU | 0 | 0.082 | -0.112 | 50.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 962 | LEU | 0 | -0.072 | 0.100 | 48.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 963 | ASN | 0 | 0.123 | -0.046 | 51.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 963 | ASN | 0 | -0.125 | 0.067 | 55.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 964 | PRO | 0 | -0.003 | -0.098 | 53.448 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 965 | GLY | 0 | 0.022 | 0.010 | 56.222 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 966 | ASN | 0 | 0.082 | 0.016 | 59.088 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 966 | ASN | 0 | -0.152 | 0.049 | 60.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 967 | PRO | 0 | -0.012 | -0.113 | 57.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 968 | VAL | 0 | 0.094 | 0.020 | 58.369 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 968 | VAL | 0 | -0.083 | 0.092 | 59.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 969 | ASN | 0 | 0.130 | -0.057 | 56.849 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 969 | ASN | 0 | -0.136 | 0.055 | 57.009 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 970 | ASN | 0 | 0.151 | -0.083 | 52.565 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 970 | ASN | 0 | -0.045 | 0.111 | 51.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 971 | GLN | 0 | 0.094 | -0.094 | 53.854 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 971 | GLN | 0 | -0.041 | 0.125 | 53.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 972 | ILE | 0 | 0.138 | -0.072 | 54.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 972 | ILE | 0 | -0.079 | 0.092 | 58.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 973 | PHE | 0 | 0.061 | -0.097 | 56.169 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 973 | PHE | 0 | -0.071 | 0.105 | 52.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 974 | LEU | 0 | 0.117 | -0.101 | 52.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 974 | LEU | 0 | -0.074 | 0.110 | 49.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 975 | GLN | 0 | 0.053 | -0.107 | 53.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 975 | GLN | 0 | -0.093 | 0.079 | 55.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 976 | GLU | 0 | 0.089 | -0.111 | 56.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 976 | GLU | -1 | -1.029 | -0.853 | 58.648 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 977 | TYR | 0 | 0.074 | -0.098 | 54.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 977 | TYR | 0 | -0.095 | 0.094 | 50.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 978 | VAL | 0 | 0.064 | -0.119 | 52.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 978 | VAL | 0 | -0.029 | 0.114 | 51.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 979 | ALA | 0 | 0.145 | -0.073 | 53.733 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 979 | ALA | 0 | -0.106 | 0.084 | 58.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 980 | ASN | 0 | 0.021 | -0.102 | 57.197 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 980 | ASN | 0 | -0.088 | 0.072 | 57.340 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 981 | LEU | 0 | 0.047 | -0.097 | 53.414 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 981 | LEU | 0 | -0.033 | 0.117 | 50.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 982 | LEU | 0 | 0.099 | -0.097 | 54.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 982 | LEU | 0 | -0.083 | 0.113 | 52.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 983 | LYS | 0 | 0.097 | -0.074 | 55.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 983 | LYS | 1 | 0.809 | 1.025 | 59.820 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 984 | SER | 0 | 0.004 | -0.085 | 57.895 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 984 | SER | 0 | -0.102 | 0.032 | 56.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 985 | ALA | 0 | 0.089 | -0.076 | 54.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 985 | ALA | 0 | -0.071 | 0.090 | 54.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 986 | PHE | 0 | -0.039 | -0.131 | 56.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 986 | PHE | 0 | -0.095 | 0.093 | 53.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 987 | PRO | 0 | 0.057 | -0.078 | 58.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 988 | HIS | 0 | 0.043 | -0.007 | 62.068 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 988 | HIS | 0 | -0.041 | 0.093 | 59.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 989 | LEU | 0 | 0.000 | -0.142 | 60.658 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 989 | LEU | 0 | -0.060 | 0.133 | 57.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 990 | GLN | 0 | 0.163 | -0.073 | 62.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 990 | GLN | 0 | -0.118 | 0.080 | 64.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 991 | ASP | 0 | 0.100 | -0.098 | 63.047 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 991 | ASP | -1 | -0.984 | -0.851 | 64.706 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 992 | ALA | 0 | 0.122 | -0.104 | 62.951 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 992 | ALA | 0 | -0.065 | 0.105 | 65.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 993 | GLN | 0 | 0.009 | -0.130 | 62.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 993 | GLN | 0 | -0.038 | 0.112 | 61.511 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 994 | VAL | 0 | 0.091 | -0.076 | 58.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 994 | VAL | 0 | -0.071 | 0.116 | 57.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 995 | LYS | 0 | 0.157 | -0.065 | 58.054 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 995 | LYS | 1 | 0.845 | 1.062 | 61.116 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 996 | LEU | 0 | 0.029 | -0.132 | 58.800 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 996 | LEU | 0 | -0.080 | 0.102 | 59.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 997 | PHE | 0 | 0.116 | -0.079 | 56.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 997 | PHE | 0 | -0.046 | 0.114 | 50.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 998 | VAL | 0 | 0.089 | -0.086 | 53.999 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 998 | VAL | 0 | -0.082 | 0.107 | 53.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 999 | THR | 0 | -0.025 | -0.092 | 54.006 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 999 | THR | 0 | -0.024 | 0.063 | 57.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 1000 | GLY | 0 | 0.034 | -0.086 | 54.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 1001 | LEU | 0 | 0.070 | -0.004 | 50.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 1001 | LEU | 0 | -0.082 | 0.106 | 49.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 1002 | PHE | 0 | 0.081 | -0.113 | 49.520 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 1002 | PHE | 0 | -0.106 | 0.080 | 51.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 1003 | SER | 0 | 0.070 | -0.037 | 50.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 1003 | SER | 0 | -0.103 | 0.030 | 53.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 1004 | LEU | 0 | 0.012 | -0.097 | 49.737 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 1004 | LEU | 0 | -0.093 | 0.104 | 49.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 1005 | ASN | 0 | 0.034 | -0.108 | 46.620 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 1005 | ASN | 0 | -0.076 | 0.088 | 46.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 1006 | GLN | 0 | 0.073 | -0.118 | 44.541 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 1006 | GLN | 0 | -0.088 | 0.122 | 44.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 1007 | ASP | 0 | 0.079 | -0.129 | 44.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 1007 | ASP | -1 | -0.920 | -0.810 | 46.084 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 1008 | ILE | 0 | 0.072 | -0.094 | 41.529 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 1008 | ILE | 0 | -0.055 | 0.097 | 39.956 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 1009 | PRO | 0 | -0.058 | -0.126 | 41.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 1010 | ALA | 0 | 0.170 | 0.029 | 44.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 1010 | ALA | 0 | -0.038 | 0.127 | 48.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 1011 | PHE | 0 | 0.123 | -0.102 | 46.055 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 1011 | PHE | 0 | -0.146 | 0.102 | 45.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 1012 | LYS | 0 | 0.137 | -0.080 | 44.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 1012 | LYS | 1 | 0.767 | 1.023 | 40.099 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 1013 | GLU | 0 | -0.005 | -0.129 | 45.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 1013 | GLU | -1 | -0.956 | -0.844 | 46.316 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 1014 | HIS | 0 | 0.153 | -0.030 | 48.483 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 1014 | HIS | 0 | -0.126 | 0.039 | 49.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 1015 | LEU | 0 | -0.017 | -0.130 | 47.929 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 1015 | LEU | 0 | -0.072 | 0.088 | 45.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 1016 | ARG | 0 | 0.122 | -0.065 | 48.637 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 1016 | ARG | 1 | 0.801 | 1.030 | 43.795 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 1017 | ASP | 0 | 0.090 | -0.136 | 49.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 1017 | ASP | -1 | -0.988 | -0.831 | 53.197 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 1018 | PHE | 0 | 0.106 | -0.082 | 52.650 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 1018 | PHE | 0 | -0.080 | 0.085 | 52.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 1019 | LEU | 0 | 0.036 | -0.125 | 51.186 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 1019 | LEU | 0 | -0.086 | 0.110 | 48.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 1020 | VAL | 0 | 0.028 | -0.122 | 52.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 1020 | VAL | 0 | -0.071 | 0.114 | 52.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 1021 | GLN | 0 | 0.057 | -0.099 | 54.998 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 1021 | GLN | 0 | -0.094 | 0.101 | 57.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 1022 | ILE | 0 | 0.027 | -0.159 | 56.047 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 1022 | ILE | 0 | -0.058 | 0.127 | 54.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 1023 | LYS | 0 | 0.151 | -0.069 | 55.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 1023 | LYS | 1 | 0.847 | 1.061 | 52.222 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 1024 | GLU | 0 | 0.008 | -0.132 | 56.222 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 1024 | GLU | -1 | -0.972 | -0.840 | 57.443 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 1025 | PHE | 0 | 0.033 | -0.086 | 59.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 1025 | PHE | 0 | -0.090 | 0.077 | 60.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 1026 | ALA | 0 | 0.051 | -0.099 | 58.994 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 1026 | ALA | 0 | -0.109 | 0.085 | 58.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 1027 | GLY | 0 | -0.071 | -0.133 | 57.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |