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: J2579
Calculation Name: 4IS4-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4IS4
Chain ID: A
UniProt ID: O04998
Base Structure: X-ray
Registration Date: 2025-07-10
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 | 617 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -5088407.965991 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4957909.757972 |
| FMO2-HF: Total energy | -130498.20802 |
| FMO2-MP2: Total energy | -130879.887798 |
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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -3.23 | -0.358 | 0.174 | -1.292 | -1.754 | 0.002 |
Interaction energy analysis for fragmet #1(A:1:MET)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 2 | SER | 0 | -0.061 | 0.035 | 4.839 | 0.137 | 0.329 | -0.001 | -0.062 | -0.129 | 0.000 |
| 5 | A | 3 | LEU | 0 | 0.015 | -0.104 | 3.117 | -2.510 | -1.052 | 0.026 | -0.721 | -0.762 | 0.001 |
| 6 | A | 3 | LEU | 0 | -0.066 | 0.083 | 3.174 | -0.125 | 0.223 | 0.026 | -0.116 | -0.258 | 0.000 |
| 7 | A | 4 | LEU | 0 | 0.112 | -0.081 | 3.438 | 0.029 | 0.502 | 0.024 | -0.172 | -0.325 | 0.001 |
| 8 | A | 4 | LEU | 0 | -0.105 | 0.095 | 3.090 | -0.042 | 0.217 | 0.101 | -0.152 | -0.209 | 0.000 |
| 9 | A | 5 | SER | 0 | 0.053 | -0.102 | 4.338 | 0.436 | 0.578 | -0.001 | -0.066 | -0.075 | 0.000 |
| 10 | A | 5 | SER | 0 | -0.034 | 0.074 | 5.765 | -0.490 | -0.490 | -0.001 | -0.003 | 0.004 | 0.000 |
| 11 | A | 6 | ASP | 0 | 0.096 | -0.072 | 6.374 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 6 | ASP | -1 | -0.886 | -0.795 | 7.566 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 7 | LEU | 0 | 0.030 | -0.110 | 7.906 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 7 | LEU | 0 | -0.079 | 0.088 | 8.092 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 8 | ILE | 0 | 0.074 | -0.079 | 8.646 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 8 | ILE | 0 | -0.098 | 0.076 | 7.299 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 9 | ASN | 0 | 0.048 | -0.070 | 10.413 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 9 | ASN | 0 | -0.172 | 0.010 | 9.610 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 10 | LEU | 0 | 0.107 | -0.106 | 12.378 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 10 | LEU | 0 | -0.104 | 0.107 | 12.535 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 11 | ASN | 0 | 0.157 | -0.060 | 14.515 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 11 | ASN | 0 | -0.130 | 0.068 | 18.219 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 12 | LEU | 0 | 0.038 | -0.111 | 18.091 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 12 | LEU | 0 | -0.044 | 0.100 | 17.045 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 13 | SER | 0 | 0.020 | -0.070 | 19.853 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 13 | SER | 0 | -0.045 | 0.030 | 22.046 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 14 | GLU | 0 | 0.012 | -0.115 | 21.461 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 14 | GLU | -1 | -0.919 | -0.795 | 20.059 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 15 | SER | 0 | -0.043 | -0.117 | 21.494 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 15 | SER | 0 | -0.022 | 0.060 | 20.727 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 16 | SER | 0 | -0.104 | -0.093 | 22.819 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 16 | SER | 0 | -0.045 | 0.042 | 23.593 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 17 | GLU | 0 | 0.147 | -0.058 | 25.063 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 17 | GLU | -1 | -0.883 | -0.798 | 28.020 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 18 | LYS | 0 | 0.041 | -0.094 | 25.907 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 18 | LYS | 1 | 0.780 | 0.982 | 25.127 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 19 | ILE | 0 | 0.014 | -0.090 | 23.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 19 | ILE | 0 | -0.078 | 0.102 | 24.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 20 | ILE | 0 | 0.091 | -0.088 | 21.112 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 20 | ILE | 0 | -0.056 | 0.095 | 18.613 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 21 | ALA | 0 | 0.119 | -0.091 | 22.625 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 21 | ALA | 0 | -0.091 | 0.084 | 26.024 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 22 | GLU | 0 | 0.108 | -0.118 | 22.437 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 22 | GLU | -1 | -0.835 | -0.729 | 20.018 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 23 | TYR | 0 | 0.058 | -0.094 | 23.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 23 | TYR | 0 | -0.141 | 0.031 | 26.676 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 24 | ILE | 0 | 0.127 | -0.100 | 26.104 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 24 | ILE | 0 | -0.082 | 0.108 | 23.901 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 25 | TRP | 0 | 0.012 | -0.077 | 27.059 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 25 | TRP | 0 | -0.107 | 0.065 | 26.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 26 | VAL | 0 | 0.110 | -0.116 | 28.877 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 26 | VAL | 0 | -0.070 | 0.144 | 31.040 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 27 | GLY | 0 | 0.016 | -0.087 | 30.779 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 28 | GLY | 0 | 0.022 | -0.010 | 31.864 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 29 | SER | 0 | -0.037 | -0.028 | 33.356 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 29 | SER | 0 | -0.069 | 0.040 | 32.127 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 30 | GLY | 0 | -0.079 | -0.125 | 34.536 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 31 | MET | 0 | 0.048 | -0.024 | 31.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 31 | MET | 0 | -0.095 | 0.114 | 29.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 32 | ASP | 0 | 0.113 | -0.059 | 28.389 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 32 | ASP | -1 | -0.793 | -0.752 | 28.255 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 33 | LEU | 0 | 0.135 | -0.087 | 26.367 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 33 | LEU | 0 | -0.074 | 0.119 | 25.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 34 | ARG | 0 | 0.007 | -0.139 | 25.234 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 34 | ARG | 1 | 0.753 | 1.001 | 26.174 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 35 | SER | 0 | 0.022 | -0.074 | 23.651 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 35 | SER | 0 | -0.033 | 0.055 | 21.910 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 36 | LYS | 0 | 0.100 | -0.058 | 22.273 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 36 | LYS | 1 | 0.740 | 0.994 | 23.668 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 37 | ALA | 0 | 0.127 | -0.077 | 21.261 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 37 | ALA | 0 | -0.065 | 0.113 | 20.585 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 38 | ARG | 0 | -0.011 | -0.104 | 22.634 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 38 | ARG | 1 | 0.781 | 1.011 | 26.154 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 39 | THR | 0 | 0.105 | -0.058 | 24.200 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 39 | THR | 0 | -0.047 | 0.056 | 23.154 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 40 | LEU | 0 | -0.009 | -0.127 | 24.819 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 40 | LEU | 0 | -0.044 | 0.129 | 27.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 41 | PRO | 0 | -0.008 | -0.124 | 27.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 42 | GLY | 0 | 0.021 | 0.016 | 28.891 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 43 | PRO | 0 | 0.021 | -0.003 | 27.917 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 44 | VAL | 0 | 0.018 | -0.024 | 29.392 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 44 | VAL | 0 | -0.059 | 0.115 | 30.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 45 | SER | 0 | 0.056 | -0.055 | 30.350 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 45 | SER | 0 | -0.026 | 0.065 | 32.441 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 46 | ASP | 0 | 0.170 | -0.082 | 32.802 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 46 | ASP | -1 | -0.925 | -0.750 | 36.530 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 47 | PRO | 0 | 0.032 | -0.095 | 34.135 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 48 | SER | 0 | 0.053 | 0.032 | 35.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 48 | SER | 0 | -0.069 | 0.019 | 39.349 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 49 | LYS | 0 | -0.004 | -0.094 | 36.707 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 49 | LYS | 1 | 0.772 | 0.997 | 36.695 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 50 | LEU | 0 | 0.105 | -0.120 | 32.949 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 50 | LEU | 0 | -0.076 | 0.126 | 30.343 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 51 | PRO | 0 | -0.052 | -0.100 | 31.990 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 52 | LYS | 0 | 0.151 | 0.049 | 33.137 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 52 | LYS | 1 | 0.815 | 1.046 | 36.314 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 53 | TRP | 0 | -0.014 | -0.079 | 31.458 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 53 | TRP | 0 | -0.068 | 0.067 | 25.408 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 54 | ASN | 0 | 0.114 | -0.078 | 32.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 54 | ASN | 0 | -0.078 | 0.064 | 32.472 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 55 | TYR | 0 | 0.043 | -0.075 | 30.732 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 55 | TYR | 0 | -0.079 | 0.048 | 30.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 56 | ASP | 0 | 0.138 | -0.072 | 31.209 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 56 | ASP | -1 | -0.834 | -0.706 | 31.490 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 57 | GLY | 0 | 0.041 | -0.098 | 32.071 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 58 | SER | 0 | 0.057 | 0.019 | 34.560 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 58 | SER | 0 | -0.027 | 0.066 | 34.708 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 59 | SER | 0 | -0.042 | -0.136 | 30.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 59 | SER | 0 | -0.058 | 0.064 | 29.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 60 | THR | 0 | -0.096 | -0.112 | 29.908 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 60 | THR | 0 | -0.020 | 0.041 | 29.501 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 61 | ASN | 0 | 0.138 | -0.019 | 31.796 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 61 | ASN | 0 | -0.119 | 0.053 | 34.787 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 62 | GLN | 0 | 0.064 | -0.121 | 35.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 62 | GLN | 0 | -0.038 | 0.115 | 33.252 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 63 | ALA | 0 | 0.074 | -0.130 | 36.847 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 63 | ALA | 0 | -0.089 | 0.141 | 37.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 64 | PRO | 0 | -0.030 | -0.118 | 38.688 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 65 | GLY | 0 | -0.013 | -0.005 | 40.672 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 66 | GLN | 0 | 0.161 | 0.034 | 41.618 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 66 | GLN | 0 | -0.131 | 0.064 | 44.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 67 | ASP | 0 | 0.045 | -0.136 | 41.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 67 | ASP | -1 | -0.963 | -0.818 | 40.652 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 68 | SER | 0 | -0.009 | -0.098 | 37.662 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 68 | SER | 0 | -0.061 | 0.057 | 35.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 69 | GLU | 0 | 0.142 | -0.089 | 36.192 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 69 | GLU | -1 | -0.933 | -0.816 | 36.019 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 70 | VAL | 0 | 0.019 | -0.138 | 35.550 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 70 | VAL | 0 | -0.075 | 0.120 | 34.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 71 | ILE | 0 | 0.038 | -0.116 | 34.895 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 71 | ILE | 0 | -0.085 | 0.110 | 37.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 72 | LEU | 0 | 0.083 | -0.110 | 32.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 72 | LEU | 0 | -0.071 | 0.107 | 30.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 73 | TYR | 0 | 0.015 | -0.147 | 34.219 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 73 | TYR | 0 | -0.045 | 0.103 | 37.332 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 74 | PRO | 0 | 0.043 | -0.089 | 32.664 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 75 | GLN | 0 | 0.030 | -0.019 | 33.541 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 75 | GLN | 0 | -0.152 | 0.055 | 34.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 76 | ALA | 0 | 0.073 | -0.088 | 33.056 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 76 | ALA | 0 | -0.040 | 0.104 | 32.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 77 | ILE | 0 | 0.023 | -0.110 | 29.655 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 77 | ILE | 0 | -0.086 | 0.080 | 28.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 78 | PHE | 0 | 0.041 | -0.084 | 27.375 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 78 | PHE | 0 | -0.073 | 0.087 | 26.747 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 79 | LYS | 0 | 0.124 | -0.106 | 24.715 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 79 | LYS | 1 | 0.799 | 1.035 | 23.292 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 80 | ASP | 0 | 0.091 | -0.103 | 20.815 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 80 | ASP | -1 | -0.873 | -0.773 | 18.802 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 81 | PRO | 0 | -0.064 | -0.127 | 19.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 82 | PHE | 0 | 0.054 | 0.010 | 15.350 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 82 | PHE | 0 | -0.088 | 0.080 | 14.829 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 83 | ARG | 0 | 0.122 | -0.063 | 14.586 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 83 | ARG | 1 | 0.688 | 0.936 | 15.915 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 84 | GLN | 0 | 0.021 | -0.057 | 16.742 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 84 | GLN | 0 | -0.042 | 0.107 | 16.659 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 85 | GLY | 0 | 0.111 | -0.079 | 18.899 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 86 | ASN | 0 | 0.030 | 0.025 | 21.529 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 86 | ASN | 0 | -0.084 | 0.059 | 24.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 87 | ASN | 0 | 0.123 | -0.044 | 21.135 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 87 | ASN | 0 | -0.070 | 0.059 | 19.178 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 88 | ILE | 0 | -0.015 | -0.106 | 22.625 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 88 | ILE | 0 | -0.038 | 0.105 | 25.755 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 89 | LEU | 0 | 0.042 | -0.121 | 23.573 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 89 | LEU | 0 | -0.044 | 0.111 | 21.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 90 | VAL | 0 | 0.097 | -0.095 | 24.946 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 90 | VAL | 0 | -0.086 | 0.095 | 27.047 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 91 | ILE | 0 | 0.133 | -0.068 | 28.323 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 91 | ILE | 0 | -0.078 | 0.115 | 28.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 92 | CYS | 0 | 0.083 | -0.123 | 30.280 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 92 | CYS | 0 | -0.125 | 0.087 | 30.088 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 93 | ASP | 0 | 0.067 | -0.040 | 32.527 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 93 | ASP | -1 | -0.802 | -0.774 | 36.095 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 94 | VAL | 0 | 0.034 | -0.128 | 35.411 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 94 | VAL | 0 | -0.068 | 0.123 | 33.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 95 | TYR | 0 | 0.087 | -0.136 | 36.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 95 | TYR | 0 | -0.126 | 0.055 | 38.287 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 96 | THR | 0 | 0.045 | -0.065 | 38.937 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 96 | THR | 0 | -0.034 | 0.066 | 42.321 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 97 | PRO | 0 | 0.030 | -0.085 | 39.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 98 | ALA | 0 | 0.062 | -0.002 | 41.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 98 | ALA | 0 | -0.078 | 0.108 | 45.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 99 | GLY | 0 | -0.026 | -0.106 | 43.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 100 | GLU | 0 | 0.071 | -0.022 | 44.096 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 100 | GLU | -1 | -0.945 | -0.820 | 45.929 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 101 | PRO | 0 | -0.011 | -0.106 | 41.597 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 102 | LEU | 0 | 0.070 | -0.025 | 39.628 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 102 | LEU | 0 | -0.058 | 0.134 | 37.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 103 | PRO | 0 | 0.015 | -0.097 | 41.045 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 104 | THR | 0 | -0.030 | -0.020 | 37.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 104 | THR | 0 | 0.028 | 0.129 | 36.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 105 | ASN | 0 | 0.092 | -0.080 | 37.904 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 105 | ASN | 0 | -0.114 | 0.072 | 38.560 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 106 | LYS | 0 | 0.042 | -0.130 | 38.674 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 106 | LYS | 1 | 0.868 | 1.073 | 38.807 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 107 | ARG | 0 | 0.078 | -0.101 | 38.213 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 107 | ARG | 1 | 0.728 | 0.984 | 36.028 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 108 | TYR | 0 | 0.132 | -0.072 | 39.531 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 108 | TYR | 0 | -0.064 | 0.108 | 41.855 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 109 | ASN | 0 | 0.085 | -0.080 | 42.329 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 109 | ASN | 0 | -0.085 | 0.075 | 44.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 110 | ALA | 0 | 0.121 | -0.079 | 42.183 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 110 | ALA | 0 | -0.075 | 0.099 | 41.393 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 111 | ALA | 0 | 0.093 | -0.107 | 42.626 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 111 | ALA | 0 | -0.066 | 0.111 | 41.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 112 | LYS | 0 | 0.028 | -0.092 | 43.534 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 112 | LYS | 1 | 0.835 | 1.044 | 46.729 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 113 | ILE | 0 | 0.114 | -0.078 | 46.818 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 113 | ILE | 0 | -0.117 | 0.088 | 46.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 114 | PHE | 0 | 0.045 | -0.110 | 45.048 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 114 | PHE | 0 | -0.097 | 0.089 | 42.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 115 | SER | 0 | 0.061 | -0.095 | 46.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 115 | SER | 0 | -0.075 | 0.055 | 46.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 116 | HIS | 0 | 0.063 | -0.082 | 48.211 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 116 | HIS | 0 | -0.080 | 0.107 | 51.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 117 | PRO | 0 | -0.023 | -0.121 | 51.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 118 | ASP | 0 | 0.104 | -0.018 | 53.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 118 | ASP | -1 | -0.946 | -0.849 | 54.625 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 119 | VAL | 0 | 0.015 | -0.102 | 50.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 119 | VAL | 0 | -0.075 | 0.106 | 48.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 120 | ALA | 0 | 0.147 | -0.089 | 48.838 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 120 | ALA | 0 | -0.092 | 0.104 | 49.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 121 | ALA | 0 | 0.058 | -0.129 | 49.895 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 121 | ALA | 0 | -0.077 | 0.111 | 54.237 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 122 | GLU | 0 | 0.058 | -0.093 | 52.072 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 122 | GLU | -1 | -0.817 | -0.707 | 52.085 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 123 | VAL | 0 | 0.008 | -0.114 | 47.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 123 | VAL | 0 | -0.097 | 0.090 | 46.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 124 | PRO | 0 | 0.063 | -0.086 | 45.807 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 125 | TRP | 0 | 0.103 | -0.011 | 42.858 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 125 | TRP | 0 | -0.085 | 0.073 | 42.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 126 | TYR | 0 | -0.021 | -0.101 | 40.856 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 126 | TYR | 0 | -0.062 | 0.063 | 40.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 127 | GLY | 0 | 0.037 | -0.095 | 38.234 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 128 | ILE | 0 | 0.104 | 0.043 | 36.479 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 128 | ILE | 0 | -0.109 | 0.065 | 35.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 129 | GLU | 0 | 0.128 | -0.096 | 34.669 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 129 | GLU | -1 | -0.909 | -0.781 | 35.918 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 130 | GLN | 0 | 0.080 | -0.111 | 31.681 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 130 | GLN | 0 | -0.195 | 0.059 | 30.019 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 131 | GLU | 0 | 0.186 | -0.100 | 30.631 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 131 | GLU | -1 | -0.831 | -0.743 | 31.547 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 132 | TYR | 0 | 0.017 | -0.099 | 27.432 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 132 | TYR | 0 | -0.066 | 0.096 | 24.332 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 133 | THR | 0 | 0.024 | -0.098 | 27.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 133 | THR | 0 | -0.019 | 0.080 | 27.047 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 134 | LEU | 0 | 0.068 | -0.080 | 22.764 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 134 | LEU | 0 | -0.087 | 0.088 | 21.057 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 135 | LEU | 0 | 0.071 | -0.121 | 22.684 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 135 | LEU | 0 | -0.094 | 0.101 | 23.894 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 136 | GLN | 0 | 0.176 | -0.084 | 20.917 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 136 | GLN | 0 | -0.115 | 0.109 | 20.341 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 137 | LYS | 0 | 0.103 | -0.081 | 19.183 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 137 | LYS | 1 | 0.884 | 1.072 | 16.076 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 138 | ASP | 0 | -0.021 | -0.138 | 20.625 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 138 | ASP | -1 | -0.881 | -0.808 | 20.518 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 139 | THR | 0 | -0.034 | -0.100 | 22.100 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 139 | THR | 0 | -0.090 | 0.026 | 23.800 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 140 | ASN | 0 | 0.116 | -0.040 | 24.580 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 140 | ASN | 0 | -0.133 | 0.057 | 26.427 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 141 | TRP | 0 | 0.096 | -0.092 | 25.865 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 141 | TRP | 0 | -0.080 | 0.089 | 27.290 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 142 | PRO | 0 | 0.037 | -0.095 | 25.352 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 143 | LEU | 0 | 0.058 | -0.016 | 22.717 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 143 | LEU | 0 | -0.098 | 0.109 | 20.050 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 144 | GLY | 0 | 0.071 | -0.091 | 23.772 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 145 | TRP | 0 | 0.083 | -0.026 | 25.848 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 145 | TRP | 0 | -0.072 | 0.122 | 28.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 146 | PRO | 0 | -0.031 | -0.097 | 28.756 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 147 | ILE | 0 | 0.072 | -0.007 | 30.969 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 147 | ILE | 0 | -0.078 | 0.110 | 30.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 148 | GLY | 0 | -0.021 | -0.121 | 32.145 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 149 | GLY | 0 | -0.023 | -0.007 | 34.065 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 150 | TYR | 0 | 0.127 | 0.007 | 34.824 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 150 | TYR | 0 | -0.096 | 0.069 | 36.336 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 151 | PRO | 0 | -0.054 | -0.106 | 33.813 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 152 | GLY | 0 | 0.003 | 0.005 | 36.819 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 153 | PRO | 0 | -0.022 | -0.029 | 38.002 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 154 | GLN | 0 | 0.102 | 0.004 | 39.510 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 154 | GLN | 0 | -0.110 | 0.082 | 40.030 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 155 | GLY | 0 | -0.015 | -0.101 | 36.555 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 156 | PRO | 0 | -0.028 | -0.022 | 32.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 157 | TYR | 0 | 0.136 | 0.015 | 30.841 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 157 | TYR | 0 | -0.063 | 0.112 | 29.725 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 158 | TYR | 0 | 0.146 | -0.045 | 31.061 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 158 | TYR | 0 | -0.138 | 0.078 | 35.204 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 159 | CYS | 0 | 0.015 | -0.150 | 31.256 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 159 | CYS | 0 | -0.130 | 0.116 | 32.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 160 | GLY | 0 | 0.044 | -0.072 | 30.773 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 161 | ILE | 0 | 0.033 | -0.047 | 27.981 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 161 | ILE | 0 | -0.057 | 0.124 | 28.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 162 | GLY | 0 | 0.041 | -0.088 | 26.746 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 163 | ALA | 0 | 0.151 | 0.018 | 23.881 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 163 | ALA | 0 | -0.074 | 0.101 | 23.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 164 | ASP | 0 | 0.015 | -0.085 | 24.623 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 164 | ASP | -1 | -0.883 | -0.808 | 28.662 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 165 | LYS | 0 | 0.029 | -0.105 | 27.226 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 165 | LYS | 1 | 0.721 | 0.957 | 29.032 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 166 | ALA | 0 | 0.156 | -0.039 | 25.763 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 166 | ALA | 0 | -0.122 | 0.076 | 25.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 167 | TYR | 0 | 0.043 | -0.147 | 22.732 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 167 | TYR | 0 | -0.132 | 0.101 | 23.161 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 168 | GLY | 0 | 0.103 | -0.070 | 19.585 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 169 | ARG | 0 | 0.163 | 0.029 | 20.350 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 169 | ARG | 1 | 0.799 | 1.049 | 21.671 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 170 | ASP | 0 | -0.004 | -0.134 | 16.803 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 170 | ASP | -1 | -0.931 | -0.834 | 15.886 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 171 | ILE | 0 | 0.076 | -0.095 | 17.599 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 171 | ILE | 0 | -0.075 | 0.104 | 16.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 172 | VAL | 0 | 0.087 | -0.102 | 18.528 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 172 | VAL | 0 | -0.065 | 0.114 | 22.330 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 173 | ASP | 0 | 0.118 | -0.103 | 21.312 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 173 | ASP | -1 | -1.001 | -0.868 | 20.485 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 174 | ALA | 0 | 0.021 | -0.134 | 17.624 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 174 | ALA | 0 | -0.050 | 0.125 | 17.047 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 175 | HIS | 0 | 0.091 | -0.097 | 18.999 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 175 | HIS | 0 | -0.119 | 0.075 | 21.258 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 176 | TYR | 0 | 0.147 | -0.073 | 21.419 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 176 | TYR | 0 | -0.116 | 0.093 | 24.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 177 | LYS | 0 | 0.056 | -0.096 | 21.840 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 177 | LYS | 1 | 0.884 | 1.060 | 20.750 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 178 | ALA | 0 | 0.100 | -0.085 | 20.443 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 178 | ALA | 0 | -0.059 | 0.107 | 19.486 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 179 | CYS | 0 | 0.138 | -0.106 | 21.465 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 179 | CYS | 0 | -0.146 | 0.082 | 23.929 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 180 | LEU | 0 | 0.056 | -0.100 | 25.012 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 180 | LEU | 0 | -0.111 | 0.088 | 25.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 181 | TYR | 0 | 0.094 | -0.086 | 23.186 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 181 | TYR | 0 | -0.147 | 0.058 | 21.030 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 182 | ALA | 0 | 0.059 | -0.111 | 24.590 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 182 | ALA | 0 | -0.065 | 0.115 | 24.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 183 | GLY | 0 | -0.037 | -0.119 | 25.497 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 184 | ILE | 0 | 0.067 | 0.003 | 28.481 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 184 | ILE | 0 | -0.116 | 0.095 | 26.730 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 185 | ASN | 0 | 0.127 | -0.040 | 30.197 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 185 | ASN | 0 | -0.153 | 0.048 | 34.382 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 186 | ILE | 0 | 0.106 | -0.105 | 29.236 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 186 | ILE | 0 | -0.151 | 0.082 | 26.702 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 187 | SER | 0 | -0.018 | -0.119 | 30.757 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 187 | SER | 0 | -0.059 | 0.069 | 34.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 188 | GLY | 0 | -0.004 | -0.112 | 31.205 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 189 | ILE | 0 | 0.072 | -0.011 | 27.827 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 189 | ILE | 0 | -0.066 | 0.109 | 25.512 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 190 | ASN | 0 | -0.048 | -0.097 | 29.331 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 190 | ASN | 0 | -0.074 | 0.054 | 31.680 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 191 | GLY | 0 | 0.103 | -0.067 | 28.835 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 192 | GLU | 0 | 0.099 | 0.025 | 29.466 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 192 | GLU | -1 | -0.922 | -0.826 | 31.299 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 193 | VAL | 0 | 0.102 | -0.092 | 32.259 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 193 | VAL | 0 | -0.069 | 0.085 | 35.732 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 194 | MET | 0 | -0.002 | -0.137 | 32.292 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 194 | MET | 0 | -0.103 | 0.102 | 31.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 195 | PRO | 0 | 0.000 | -0.091 | 27.867 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 196 | GLY | 0 | 0.060 | 0.008 | 25.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 197 | GLN | 0 | 0.134 | 0.013 | 26.005 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 197 | GLN | 0 | -0.177 | 0.052 | 30.136 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 198 | TRP | 0 | -0.056 | -0.122 | 26.925 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 198 | TRP | 0 | -0.087 | 0.066 | 24.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 199 | GLU | 0 | 0.127 | -0.088 | 28.381 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 199 | GLU | -1 | -0.926 | -0.795 | 31.674 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 200 | PHE | 0 | 0.053 | -0.069 | 28.622 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 200 | PHE | 0 | -0.072 | 0.058 | 26.595 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 201 | GLN | 0 | 0.074 | -0.112 | 29.894 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 201 | GLN | 0 | -0.110 | 0.083 | 32.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 202 | VAL | 0 | 0.037 | -0.123 | 32.029 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 202 | VAL | 0 | -0.044 | 0.116 | 30.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 203 | GLY | 0 | 0.013 | -0.068 | 33.572 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 204 | PRO | 0 | -0.037 | -0.024 | 36.694 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 205 | SER | 0 | 0.015 | 0.013 | 37.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 205 | SER | 0 | -0.037 | 0.071 | 35.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 206 | VAL | 0 | 0.104 | -0.103 | 38.561 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 206 | VAL | 0 | -0.105 | 0.104 | 40.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 207 | GLY | 0 | 0.015 | -0.119 | 40.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 208 | ILE | 0 | 0.076 | 0.002 | 40.292 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 208 | ILE | 0 | -0.090 | 0.104 | 38.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 209 | SER | 0 | 0.040 | -0.091 | 36.729 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 209 | SER | 0 | -0.035 | 0.052 | 36.470 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 210 | ALA | 0 | 0.144 | -0.086 | 35.402 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 210 | ALA | 0 | -0.082 | 0.118 | 37.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 211 | GLY | 0 | -0.028 | -0.112 | 35.288 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 212 | ASP | 0 | 0.104 | 0.014 | 33.092 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 212 | ASP | -1 | -0.833 | -0.743 | 33.068 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 213 | GLU | 0 | 0.089 | -0.084 | 31.081 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 213 | GLU | -1 | -0.842 | -0.754 | 32.218 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 214 | ILE | 0 | 0.065 | -0.090 | 30.142 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 214 | ILE | 0 | -0.067 | 0.118 | 31.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 215 | TRP | 0 | 0.095 | -0.106 | 29.734 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 215 | TRP | 0 | -0.117 | 0.075 | 29.751 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 216 | ALA | 0 | 0.143 | -0.087 | 26.909 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 216 | ALA | 0 | -0.064 | 0.103 | 27.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 217 | ALA | 0 | 0.101 | -0.104 | 25.522 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 217 | ALA | 0 | -0.071 | 0.104 | 27.553 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 218 | ARG | 0 | 0.056 | -0.094 | 25.235 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 218 | ARG | 1 | 0.696 | 0.960 | 27.406 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 219 | TYR | 0 | 0.142 | -0.050 | 23.868 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 219 | TYR | 0 | -0.102 | 0.051 | 20.763 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 220 | ILE | 0 | 0.055 | -0.087 | 21.106 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 220 | ILE | 0 | -0.083 | 0.081 | 20.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 221 | LEU | 0 | 0.118 | -0.113 | 20.167 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 221 | LEU | 0 | -0.070 | 0.110 | 21.546 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 222 | GLU | 0 | 0.109 | -0.099 | 20.073 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 222 | GLU | -1 | -1.005 | -0.843 | 21.595 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 223 | ARG | 0 | 0.027 | -0.135 | 17.824 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 223 | ARG | 1 | 0.724 | 0.958 | 15.342 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 224 | ILE | 0 | 0.088 | -0.070 | 15.850 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 224 | ILE | 0 | -0.101 | 0.090 | 15.978 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 225 | THR | 0 | -0.016 | -0.099 | 15.492 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 225 | THR | 0 | -0.039 | 0.069 | 18.958 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 226 | GLU | 0 | 0.125 | -0.083 | 15.889 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 226 | GLU | -1 | -0.928 | -0.783 | 14.249 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 227 | ILE | 0 | 0.044 | -0.093 | 11.878 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 227 | ILE | 0 | -0.104 | 0.078 | 10.449 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 228 | ALA | 0 | 0.026 | -0.125 | 11.114 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 228 | ALA | 0 | -0.078 | 0.109 | 14.650 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 229 | GLY | 0 | -0.062 | -0.129 | 13.380 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 230 | VAL | 0 | 0.014 | -0.008 | 14.192 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 230 | VAL | 0 | -0.100 | 0.078 | 16.350 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 231 | VAL | 0 | 0.139 | -0.090 | 17.785 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 231 | VAL | 0 | -0.109 | 0.104 | 20.504 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 232 | VAL | 0 | 0.069 | -0.122 | 21.159 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 232 | VAL | 0 | -0.048 | 0.132 | 22.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 233 | SER | 0 | 0.071 | -0.080 | 23.643 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 233 | SER | 0 | -0.040 | 0.070 | 27.731 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 234 | PHE | 0 | 0.071 | -0.073 | 27.433 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 234 | PHE | 0 | -0.077 | 0.099 | 25.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 235 | ASP | 0 | 0.082 | -0.089 | 30.029 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 235 | ASP | -1 | -0.872 | -0.806 | 32.167 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 236 | PRO | 0 | -0.033 | -0.109 | 32.846 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 237 | LYS | 0 | 0.037 | -0.007 | 35.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 237 | LYS | 1 | 0.767 | 1.015 | 36.386 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 238 | PRO | 0 | 0.016 | -0.097 | 29.593 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 239 | ILE | 0 | 0.007 | -0.025 | 30.620 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 239 | ILE | 0 | -0.023 | 0.141 | 30.278 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 240 | PRO | 0 | -0.028 | -0.125 | 32.889 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 241 | GLY | 0 | 0.020 | 0.016 | 35.931 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 242 | ASP | 0 | 0.082 | -0.015 | 38.678 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 242 | ASP | -1 | -0.966 | -0.838 | 39.684 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 243 | TRP | 0 | 0.056 | -0.112 | 36.415 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 243 | TRP | 0 | -0.025 | 0.111 | 30.404 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 244 | ASN | 0 | -0.030 | -0.089 | 35.981 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 244 | ASN | 0 | -0.055 | 0.111 | 36.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 245 | GLY | 0 | 0.090 | -0.063 | 35.500 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 246 | ALA | 0 | -0.030 | -0.048 | 36.328 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 246 | ALA | 0 | -0.092 | 0.093 | 37.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 247 | GLY | 0 | -0.002 | -0.117 | 36.480 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 248 | ALA | 0 | 0.131 | 0.016 | 35.520 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 248 | ALA | 0 | -0.087 | 0.101 | 35.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 249 | HIS | 0 | 0.083 | -0.107 | 36.827 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 249 | HIS | 0 | -0.077 | 0.084 | 38.449 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 250 | THR | 0 | 0.040 | -0.066 | 38.857 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 250 | THR | 0 | -0.068 | 0.059 | 39.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 251 | ASN | 0 | 0.139 | -0.073 | 40.865 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 251 | ASN | 0 | -0.162 | 0.043 | 39.920 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 252 | TYR | 0 | 0.066 | -0.118 | 42.380 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 252 | TYR | 0 | -0.075 | 0.093 | 45.039 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 253 | SER | 0 | 0.043 | -0.097 | 45.130 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 253 | SER | 0 | -0.015 | 0.104 | 45.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 254 | THR | 0 | -0.032 | -0.091 | 46.921 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 254 | THR | 0 | -0.045 | 0.040 | 49.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 255 | LYS | 0 | 0.164 | -0.060 | 49.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 255 | LYS | 1 | 0.734 | 0.991 | 50.636 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 256 | SER | 0 | 0.028 | -0.111 | 51.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 256 | SER | 0 | -0.075 | 0.040 | 54.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 257 | MET | 0 | 0.055 | -0.110 | 51.697 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 257 | MET | 0 | -0.130 | 0.104 | 50.831 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 258 | ARG | 0 | 0.131 | -0.057 | 49.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 258 | ARG | 1 | 0.764 | 1.021 | 46.449 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 259 | GLU | 0 | 0.054 | -0.104 | 51.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 259 | GLU | -1 | -0.913 | -0.776 | 52.671 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 260 | ASN | 0 | 0.069 | -0.102 | 54.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 260 | ASN | 0 | -0.097 | 0.073 | 56.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 261 | GLY | 0 | 0.066 | -0.074 | 57.578 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 262 | GLY | 0 | 0.030 | 0.021 | 54.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 263 | TYR | 0 | 0.109 | 0.002 | 55.372 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 263 | TYR | 0 | -0.101 | 0.060 | 55.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 264 | GLU | 0 | 0.051 | -0.117 | 56.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 264 | GLU | -1 | -0.884 | -0.809 | 60.339 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 265 | ILE | 0 | -0.020 | -0.132 | 56.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 265 | ILE | 0 | -0.051 | 0.100 | 55.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 266 | ILE | 0 | 0.129 | -0.072 | 53.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 266 | ILE | 0 | -0.108 | 0.102 | 51.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 267 | LYS | 0 | 0.109 | -0.082 | 54.332 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 267 | LYS | 1 | 0.727 | 0.996 | 57.097 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 268 | LYS | 0 | 0.123 | -0.069 | 56.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 268 | LYS | 1 | 0.834 | 1.057 | 58.745 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 269 | ALA | 0 | 0.088 | -0.094 | 53.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 269 | ALA | 0 | -0.058 | 0.093 | 52.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 270 | ILE | 0 | 0.102 | -0.095 | 53.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 270 | ILE | 0 | -0.120 | 0.086 | 51.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 271 | GLU | 0 | 0.044 | -0.131 | 54.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 271 | GLU | -1 | -0.988 | -0.858 | 58.586 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 272 | LYS | 0 | 0.068 | -0.101 | 56.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 272 | LYS | 1 | 0.715 | 0.998 | 55.490 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 273 | LEU | 0 | 0.018 | -0.134 | 51.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 273 | LEU | 0 | -0.071 | 0.109 | 49.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 274 | GLY | 0 | 0.032 | -0.109 | 52.867 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 275 | LEU | 0 | -0.011 | -0.029 | 55.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 275 | LEU | 0 | -0.069 | 0.088 | 57.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 276 | ARG | 0 | 0.099 | -0.073 | 54.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 276 | ARG | 1 | 0.757 | 0.981 | 52.323 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 277 | HIS | 0 | 0.103 | -0.070 | 51.896 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 277 | HIS | 0 | -0.052 | 0.083 | 50.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 278 | LYS | 0 | 0.043 | -0.097 | 51.059 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 278 | LYS | 1 | 0.862 | 1.055 | 53.082 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 279 | GLU | 0 | 0.104 | -0.116 | 51.061 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 279 | GLU | -1 | -0.856 | -0.783 | 51.699 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 280 | HIS | 0 | 0.093 | -0.066 | 48.142 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 280 | HIS | 0 | -0.120 | 0.080 | 47.601 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 281 | ILE | 0 | 0.048 | -0.084 | 46.746 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 281 | ILE | 0 | -0.117 | 0.067 | 46.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 282 | ALA | 0 | 0.122 | -0.093 | 46.318 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 282 | ALA | 0 | -0.097 | 0.093 | 49.191 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 283 | ALA | 0 | 0.044 | -0.103 | 45.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 283 | ALA | 0 | -0.065 | 0.102 | 45.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 284 | TYR | 0 | -0.171 | -0.170 | 41.639 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 284 | TYR | 0 | 0.035 | -0.001 | 42.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 302 | ASN | 0 | 0.213 | 0.107 | 49.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 302 | ASN | 0 | -0.154 | 0.025 | 50.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 303 | THR | 0 | 0.011 | -0.118 | 51.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 303 | THR | 0 | -0.019 | 0.090 | 55.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 304 | PHE | 0 | 0.056 | -0.101 | 53.125 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 304 | PHE | 0 | -0.010 | 0.145 | 51.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 305 | SER | 0 | 0.030 | -0.101 | 52.994 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 305 | SER | 0 | -0.024 | 0.089 | 52.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 306 | TRP | 0 | 0.006 | -0.097 | 52.200 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 306 | TRP | 0 | -0.044 | 0.113 | 52.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 307 | GLY | 0 | 0.054 | -0.092 | 52.496 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 308 | VAL | 0 | 0.083 | -0.013 | 51.430 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 308 | VAL | 0 | -0.028 | 0.162 | 51.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 309 | ALA | 0 | 0.078 | -0.119 | 49.241 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 309 | ALA | 0 | -0.086 | 0.089 | 50.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 310 | ASN | 0 | 0.029 | -0.075 | 49.518 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 310 | ASN | 0 | -0.029 | 0.089 | 52.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 311 | ARG | 0 | 0.033 | -0.115 | 47.713 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 311 | ARG | 1 | 0.961 | 1.101 | 43.733 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 312 | GLY | 0 | -0.033 | -0.100 | 47.673 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 313 | ALA | 0 | 0.140 | -0.003 | 48.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 313 | ALA | 0 | -0.097 | 0.116 | 49.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 314 | SER | 0 | 0.018 | -0.076 | 48.083 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 314 | SER | 0 | -0.014 | 0.060 | 49.569 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 315 | VAL | 0 | 0.032 | -0.077 | 47.631 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 315 | VAL | 0 | -0.082 | 0.097 | 48.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 316 | ARG | 0 | 0.070 | -0.112 | 47.950 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 316 | ARG | 1 | 0.783 | 1.032 | 45.660 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 317 | VAL | 0 | 0.086 | -0.109 | 48.454 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 317 | VAL | 0 | -0.071 | 0.116 | 52.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 318 | GLY | 0 | 0.063 | -0.068 | 48.148 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 319 | ARG | 0 | 0.096 | 0.011 | 48.978 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 319 | ARG | 1 | 0.896 | 1.046 | 49.222 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 320 | ASP | 0 | 0.077 | -0.089 | 49.057 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 320 | ASP | -1 | -0.889 | -0.790 | 48.241 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 321 | THR | 0 | 0.040 | -0.073 | 50.079 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 321 | THR | 0 | -0.035 | 0.066 | 49.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 322 | GLU | 0 | 0.122 | -0.085 | 51.427 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 322 | GLU | -1 | -0.975 | -0.835 | 53.481 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 323 | LYS | 0 | 0.074 | -0.071 | 53.961 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 323 | LYS | 1 | 0.599 | 0.931 | 50.462 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 324 | ASP | 0 | 0.025 | -0.109 | 53.300 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 324 | ASP | -1 | -0.930 | -0.830 | 51.447 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 325 | GLY | 0 | 0.043 | -0.099 | 54.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 326 | LYS | 0 | -0.007 | -0.048 | 53.665 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 326 | LYS | 1 | 0.822 | 1.058 | 52.400 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 327 | GLY | 0 | -0.010 | -0.109 | 49.453 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 328 | TYR | 0 | 0.074 | 0.001 | 46.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 328 | TYR | 0 | -0.100 | 0.086 | 43.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 329 | PHE | 0 | 0.098 | -0.045 | 47.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 329 | PHE | 0 | -0.086 | 0.059 | 48.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 330 | GLU | 0 | 0.132 | -0.120 | 44.753 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 330 | GLU | -1 | -0.855 | -0.755 | 42.512 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 331 | ASP | 0 | 0.131 | -0.091 | 44.679 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 331 | ASP | -1 | -0.838 | -0.726 | 44.459 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 332 | ARG | 0 | 0.064 | -0.101 | 43.088 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 332 | ARG | 1 | 0.698 | 0.965 | 41.258 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 333 | ARG | 0 | 0.057 | -0.072 | 43.255 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 333 | ARG | 1 | 0.667 | 0.908 | 45.596 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 334 | PRO | 0 | -0.060 | -0.127 | 39.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 335 | SER | 0 | 0.105 | 0.047 | 38.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 335 | SER | 0 | -0.038 | 0.068 | 38.091 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 336 | SER | 0 | 0.048 | -0.100 | 34.285 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 336 | SER | 0 | -0.054 | 0.086 | 33.238 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 337 | ASN | 0 | 0.093 | -0.043 | 33.374 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 337 | ASN | 0 | -0.093 | 0.055 | 33.759 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 338 | MET | 0 | 0.094 | -0.062 | 34.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 338 | MET | 0 | -0.112 | 0.104 | 36.457 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 339 | ASP | 0 | 0.197 | -0.091 | 35.461 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 339 | ASP | -1 | -0.872 | -0.788 | 36.690 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 340 | PRO | 0 | 0.004 | -0.094 | 34.393 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 341 | TYR | 0 | 0.112 | 0.016 | 37.603 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 341 | TYR | 0 | -0.093 | 0.050 | 34.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 342 | VAL | 0 | 0.068 | -0.075 | 39.394 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 342 | VAL | 0 | -0.077 | 0.109 | 40.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 343 | VAL | 0 | 0.069 | -0.099 | 41.116 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 343 | VAL | 0 | -0.049 | 0.125 | 40.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 344 | THR | 0 | 0.040 | -0.096 | 41.391 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 344 | THR | 0 | -0.061 | 0.059 | 39.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 345 | SER | 0 | 0.044 | -0.063 | 42.780 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 345 | SER | 0 | -0.060 | 0.056 | 43.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 346 | MET | 0 | 0.117 | -0.109 | 45.015 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 346 | MET | 0 | -0.090 | 0.120 | 46.094 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 347 | ILE | 0 | 0.048 | -0.081 | 46.253 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 347 | ILE | 0 | -0.058 | 0.109 | 44.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 348 | ALA | 0 | 0.102 | -0.074 | 47.214 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 348 | ALA | 0 | -0.035 | 0.111 | 47.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 349 | GLU | 0 | 0.055 | -0.110 | 48.942 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 349 | GLU | -1 | -0.938 | -0.811 | 49.685 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 350 | THR | 0 | 0.015 | -0.095 | 50.932 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 350 | THR | 0 | -0.043 | 0.078 | 51.303 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 351 | THR | 0 | 0.035 | -0.083 | 51.831 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 351 | THR | 0 | -0.062 | 0.059 | 50.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 352 | LEU | 0 | 0.005 | -0.116 | 53.061 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 352 | LEU | 0 | -0.053 | 0.110 | 51.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 353 | LEU | 0 | 0.098 | -0.107 | 53.635 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 353 | LEU | 0 | -0.071 | 0.119 | 51.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 354 | TRP | 0 | 0.098 | -0.102 | 54.925 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 354 | TRP | 0 | -0.060 | 0.123 | 55.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 355 | LYS | 0 | -0.029 | -0.134 | 56.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 355 | LYS | 1 | 0.777 | 1.035 | 57.940 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 356 | PRO | 0 | -0.002 | -0.085 | 60.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |