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: QKYRY
Calculation Name: 2IM5-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2IM5
Chain ID: A
UniProt ID: Q7MXV0
Base Structure: X-ray
Registration Date: 2025-07-14
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 | 737 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -7266881.209261 |
|---|---|
| FMO2-HF: Nuclear repulsion | 7109813.353295 |
| FMO2-HF: Total energy | -157067.855966 |
| FMO2-MP2: Total energy | -157526.509334 |
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:3:ILE)
Summations of interaction energy for
fragment #1(A:3:ILE)
| 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. |
| -36.417 | -34.865 | 13.991 | -7.399 | -8.145 | -0.03 |
Interaction energy analysis for fragmet #1(A:3:ILE)
| 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 | 4 | ILE | 0 | -0.070 | 0.123 | 3.854 | -0.372 | -0.086 | -0.001 | -0.075 | -0.210 | 0.000 |
| 5 | A | 5 | ARG | 0 | 0.032 | -0.109 | 3.886 | 1.234 | 2.295 | -0.006 | -0.524 | -0.530 | 0.002 |
| 6 | A | 5 | ARG | 1 | 0.835 | 1.054 | 2.847 | -21.359 | -16.765 | 0.341 | -2.808 | -2.127 | 0.037 |
| 7 | A | 6 | SER | 0 | 0.078 | -0.078 | 6.108 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 6 | SER | 0 | -0.058 | 0.049 | 9.366 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 7 | ILE | 0 | 0.117 | -0.087 | 9.091 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 7 | ILE | 0 | -0.079 | 0.122 | 12.239 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 8 | LEU | 0 | 0.050 | -0.124 | 11.586 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 8 | LEU | 0 | -0.079 | 0.104 | 13.432 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 9 | ASP | 0 | 0.150 | -0.063 | 8.359 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 9 | ASP | -1 | -0.852 | -0.757 | 6.497 | -1.907 | -1.907 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 10 | THR | 0 | 0.029 | -0.097 | 9.363 | -0.475 | -0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 10 | THR | 0 | -0.030 | 0.060 | 11.580 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 11 | ASP | 0 | 0.123 | -0.064 | 11.955 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 11 | ASP | -1 | -0.807 | -0.757 | 14.278 | -0.851 | -0.851 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 12 | LEU | 0 | 0.146 | -0.071 | 15.177 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 12 | LEU | 0 | -0.087 | 0.115 | 19.076 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 13 | TYR | 0 | 0.092 | -0.093 | 18.405 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 13 | TYR | 0 | -0.132 | 0.055 | 17.583 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 14 | LYS | 0 | 0.036 | -0.111 | 16.585 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 14 | LYS | 1 | 0.680 | 0.978 | 14.922 | 0.693 | 0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 15 | PHE | 0 | 0.092 | -0.094 | 18.119 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 15 | PHE | 0 | -0.032 | 0.111 | 14.642 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 16 | THR | 0 | -0.011 | -0.092 | 19.717 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 16 | THR | 0 | 0.026 | 0.108 | 22.096 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 17 | THR | 0 | 0.026 | -0.079 | 22.018 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 17 | THR | 0 | -0.071 | 0.044 | 22.026 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 18 | GLY | 0 | 0.027 | -0.074 | 21.233 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 19 | TYR | 0 | 0.075 | -0.001 | 22.133 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 19 | TYR | 0 | -0.034 | 0.100 | 24.498 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 20 | ALA | 0 | 0.141 | -0.087 | 25.050 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 20 | ALA | 0 | -0.094 | 0.093 | 26.470 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 21 | TYR | 0 | -0.034 | -0.130 | 25.621 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 21 | TYR | 0 | -0.097 | 0.027 | 22.395 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 22 | ALA | 0 | 0.130 | -0.079 | 25.874 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 22 | ALA | 0 | -0.060 | 0.105 | 24.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 23 | LYS | 0 | 0.025 | -0.100 | 26.982 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 23 | LYS | 1 | 0.789 | 1.024 | 29.829 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 24 | LEU | 0 | -0.011 | -0.129 | 30.341 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 24 | LEU | 0 | -0.059 | 0.112 | 31.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 25 | PHE | 0 | -0.038 | -0.102 | 30.068 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 25 | PHE | 0 | -0.087 | 0.082 | 29.034 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 26 | PRO | 0 | 0.093 | -0.085 | 27.818 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 27 | ARG | 0 | -0.002 | -0.005 | 28.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 27 | ARG | 1 | 0.890 | 1.046 | 31.759 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 28 | ALA | 0 | 0.121 | -0.073 | 29.076 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 28 | ALA | 0 | -0.044 | 0.116 | 28.325 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 29 | TYR | 0 | 0.000 | -0.133 | 25.819 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 29 | TYR | 0 | -0.068 | 0.100 | 25.623 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 30 | GLY | 0 | 0.005 | -0.106 | 24.232 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 31 | GLU | 0 | 0.194 | 0.046 | 22.237 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 31 | GLU | -1 | -0.902 | -0.801 | 22.459 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 32 | PHE | 0 | 0.063 | -0.095 | 18.805 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 32 | PHE | 0 | -0.099 | 0.091 | 18.091 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 33 | ARG | 0 | 0.102 | -0.083 | 18.856 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 33 | ARG | 1 | 0.811 | 1.026 | 21.284 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 34 | PHE | 0 | 0.137 | -0.100 | 16.317 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 34 | PHE | 0 | -0.107 | 0.112 | 13.438 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 35 | ILE | 0 | 0.020 | -0.117 | 17.453 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 35 | ILE | 0 | -0.121 | 0.074 | 20.408 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 36 | ASP | 0 | 0.165 | -0.095 | 17.976 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 36 | ASP | -1 | -0.840 | -0.769 | 17.145 | -0.719 | -0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 37 | ARG | 0 | 0.013 | -0.095 | 18.616 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 37 | ARG | 1 | 0.746 | 0.997 | 20.467 | 0.549 | 0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 38 | ASN | 0 | 0.063 | -0.109 | 20.394 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 38 | ASN | 0 | -0.069 | 0.085 | 19.625 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 39 | ARG | 0 | 0.011 | -0.064 | 21.582 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 39 | ARG | 1 | 0.807 | 1.009 | 23.700 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 40 | GLN | 0 | 0.138 | -0.080 | 19.432 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 40 | GLN | 0 | -0.031 | 0.114 | 17.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 41 | GLY | 0 | -0.007 | -0.099 | 20.442 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 42 | PHE | 0 | 0.043 | -0.013 | 16.941 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 42 | PHE | 0 | -0.101 | 0.084 | 13.810 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 43 | THR | 0 | 0.088 | -0.063 | 17.360 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 43 | THR | 0 | -0.066 | 0.042 | 17.555 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 44 | GLU | 0 | 0.123 | -0.101 | 16.506 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 44 | GLU | -1 | -0.892 | -0.786 | 18.488 | -0.579 | -0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 45 | GLU | 0 | 0.070 | -0.100 | 15.382 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 45 | GLU | -1 | -0.904 | -0.794 | 14.837 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 46 | PHE | 0 | 0.139 | -0.087 | 12.337 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 46 | PHE | 0 | -0.112 | 0.093 | 10.147 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 47 | ALA | 0 | 0.106 | -0.112 | 11.640 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 47 | ALA | 0 | -0.074 | 0.125 | 15.385 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 48 | GLU | 0 | 0.055 | -0.111 | 12.701 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 48 | GLU | -1 | -0.817 | -0.744 | 12.948 | -0.540 | -0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 49 | LEU | 0 | 0.016 | -0.118 | 9.224 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 49 | LEU | 0 | -0.076 | 0.105 | 8.413 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 50 | VAL | 0 | 0.103 | -0.073 | 7.867 | -0.612 | -0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 50 | VAL | 0 | -0.077 | 0.091 | 8.741 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 51 | ARG | 0 | 0.055 | -0.122 | 8.733 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 51 | ARG | 1 | 0.648 | 0.932 | 12.279 | 0.715 | 0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 52 | GLY | 0 | -0.037 | -0.119 | 8.264 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 53 | GLU | 0 | 0.068 | 0.004 | 4.613 | 1.123 | 1.164 | -0.002 | -0.008 | -0.031 | 0.000 |
| 97 | A | 53 | GLU | -1 | -0.874 | -0.816 | 1.988 | -13.963 | -19.087 | 13.609 | -3.970 | -4.514 | -0.070 |
| 98 | A | 54 | ILE | 0 | 0.089 | -0.091 | 5.299 | 0.247 | 0.234 | -0.002 | 0.000 | 0.014 | 0.000 |
| 99 | A | 54 | ILE | 0 | -0.092 | 0.084 | 8.667 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 55 | ARG | 0 | 0.097 | -0.093 | 8.382 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 55 | ARG | 1 | 0.740 | 0.966 | 9.670 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 56 | ALA | 0 | 0.088 | -0.093 | 5.601 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 56 | ALA | 0 | -0.082 | 0.111 | 4.871 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 57 | MET | 0 | 0.077 | -0.107 | 6.716 | 0.634 | 0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 57 | MET | 0 | -0.105 | 0.090 | 5.907 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 58 | ALA | 0 | 0.068 | -0.100 | 7.532 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 58 | ALA | 0 | -0.061 | 0.115 | 11.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 59 | ALA | 0 | 0.050 | -0.119 | 9.442 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 59 | ALA | 0 | -0.095 | 0.099 | 8.853 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 60 | LEU | 0 | -0.002 | -0.126 | 9.860 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 60 | LEU | 0 | -0.084 | 0.103 | 7.013 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 61 | SER | 0 | 0.003 | -0.104 | 10.436 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 61 | SER | 0 | -0.021 | 0.067 | 14.262 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 62 | LEU | 0 | 0.109 | -0.078 | 13.907 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 62 | LEU | 0 | -0.140 | 0.118 | 16.353 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 63 | THR | 0 | 0.023 | -0.097 | 15.486 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 63 | THR | 0 | -0.054 | 0.046 | 14.452 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 64 | ARG | 0 | 0.091 | -0.087 | 17.091 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 64 | ARG | 1 | 0.705 | 0.962 | 19.540 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 65 | ASP | 0 | 0.109 | -0.117 | 19.147 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 65 | ASP | -1 | -0.926 | -0.831 | 18.097 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 66 | GLU | 0 | 0.101 | -0.117 | 16.692 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 66 | GLU | -1 | -0.811 | -0.728 | 13.157 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 67 | LYS | 0 | 0.096 | -0.074 | 17.990 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 67 | LYS | 1 | 0.684 | 0.947 | 20.656 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 68 | GLU | 0 | 0.046 | -0.126 | 20.999 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 68 | GLU | -1 | -0.926 | -0.801 | 22.851 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 69 | PHE | 0 | 0.105 | -0.071 | 20.316 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 69 | PHE | 0 | -0.059 | 0.103 | 18.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 70 | LEU | 0 | 0.013 | -0.117 | 20.888 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 70 | LEU | 0 | -0.070 | 0.081 | 18.702 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 71 | GLN | 0 | 0.073 | -0.084 | 21.958 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 71 | GLN | 0 | -0.102 | 0.074 | 24.728 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 72 | ARG | 0 | -0.001 | -0.097 | 24.693 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 72 | ARG | 1 | 0.742 | 0.969 | 25.157 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 73 | GLU | 0 | 0.128 | -0.082 | 23.555 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 73 | GLU | -1 | -1.011 | -0.860 | 22.653 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 74 | LEU | 0 | -0.035 | -0.125 | 22.934 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 74 | LEU | 0 | -0.102 | 0.082 | 20.032 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 75 | PRO | 0 | 0.071 | -0.088 | 24.312 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 76 | TYR | 0 | 0.081 | 0.010 | 27.609 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 76 | TYR | 0 | -0.056 | 0.102 | 23.948 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 77 | LEU | 0 | 0.017 | -0.122 | 24.741 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 77 | LEU | 0 | -0.089 | 0.094 | 21.863 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 78 | PRO | 0 | 0.029 | -0.084 | 26.266 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 79 | PRO | 0 | 0.046 | 0.001 | 27.196 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 80 | ILE | 0 | 0.128 | 0.026 | 26.565 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 80 | ILE | 0 | -0.077 | 0.114 | 28.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 81 | TYR | 0 | 0.111 | -0.094 | 24.695 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 81 | TYR | 0 | -0.010 | 0.117 | 20.926 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 82 | ILE | 0 | 0.092 | -0.095 | 22.326 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 82 | ILE | 0 | -0.116 | 0.096 | 22.240 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 83 | ASP | 0 | 0.081 | -0.119 | 22.114 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 83 | ASP | -1 | -0.944 | -0.812 | 25.731 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 84 | PHE | 0 | 0.097 | -0.072 | 22.722 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 84 | PHE | 0 | -0.129 | 0.064 | 20.074 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 85 | LEU | 0 | 0.074 | -0.114 | 18.707 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 85 | LEU | 0 | -0.080 | 0.102 | 17.229 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 86 | ASP | 0 | 0.117 | -0.078 | 17.839 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 86 | ASP | -1 | -0.862 | -0.746 | 20.433 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 87 | GLY | 0 | -0.037 | -0.104 | 19.035 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 88 | PHE | 0 | 0.072 | 0.004 | 17.894 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 88 | PHE | 0 | -0.082 | 0.090 | 13.982 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 89 | ARG | 0 | 0.002 | -0.108 | 14.331 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 89 | ARG | 1 | 0.808 | 1.038 | 14.347 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 90 | PHE | 0 | 0.096 | -0.095 | 11.944 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 90 | PHE | 0 | -0.075 | 0.098 | 10.870 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 91 | ASP | 0 | 0.142 | -0.128 | 13.385 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 91 | ASP | -1 | -0.992 | -0.816 | 16.849 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 92 | PRO | 0 | -0.022 | -0.131 | 11.798 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 93 | GLU | 0 | 0.069 | 0.015 | 14.040 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 93 | GLU | -1 | -1.003 | -0.845 | 18.485 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 94 | GLU | 0 | 0.086 | -0.124 | 17.120 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 94 | GLU | -1 | -0.863 | -0.765 | 16.630 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 95 | VAL | 0 | -0.021 | -0.114 | 14.770 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 95 | VAL | 0 | -0.077 | 0.096 | 13.422 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 96 | THR | 0 | 0.118 | -0.051 | 15.874 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 96 | THR | 0 | -0.048 | 0.075 | 19.413 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 97 | VAL | 0 | 0.004 | -0.146 | 14.732 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 97 | VAL | 0 | -0.039 | 0.104 | 12.902 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 98 | SER | 0 | 0.002 | -0.043 | 16.153 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 98 | SER | 0 | -0.014 | 0.063 | 19.370 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 99 | ILE | 0 | 0.098 | -0.088 | 18.002 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 99 | ILE | 0 | -0.112 | 0.115 | 17.017 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 100 | ASP | 0 | 0.075 | -0.062 | 20.053 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 100 | ASP | -1 | -0.871 | -0.835 | 22.279 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 101 | ALA | 0 | 0.115 | -0.101 | 23.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 101 | ALA | 0 | -0.086 | 0.098 | 27.941 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 102 | GLN | 0 | -0.024 | -0.132 | 25.365 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 102 | GLN | 0 | -0.137 | 0.048 | 25.516 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 103 | GLY | 0 | 0.033 | -0.083 | 22.975 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 104 | HIS | 0 | 0.050 | -0.019 | 20.249 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 104 | HIS | 0 | -0.098 | 0.093 | 20.479 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 105 | LEU | 0 | 0.178 | -0.058 | 15.977 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 105 | LEU | 0 | -0.117 | 0.091 | 12.649 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 106 | ASP | 0 | 0.045 | -0.123 | 17.367 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 106 | ASP | -1 | -0.908 | -0.764 | 20.061 | -0.555 | -0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 107 | ILE | 0 | 0.116 | -0.085 | 15.137 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 107 | ILE | 0 | -0.064 | 0.099 | 12.405 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 108 | ARG | 0 | 0.049 | -0.101 | 16.631 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 108 | ARG | 1 | 0.708 | 0.944 | 19.944 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 109 | ALA | 0 | 0.188 | -0.053 | 16.916 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 109 | ALA | 0 | -0.088 | 0.098 | 15.909 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 110 | GLN | 0 | 0.040 | -0.124 | 17.951 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 110 | GLN | 0 | -0.143 | 0.067 | 22.200 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 111 | GLY | 0 | 0.047 | -0.082 | 21.190 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 112 | LEU | 0 | 0.125 | 0.005 | 22.528 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 112 | LEU | 0 | -0.098 | 0.112 | 23.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 113 | LEU | 0 | 0.105 | -0.101 | 22.117 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 113 | LEU | 0 | -0.113 | 0.106 | 22.805 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 114 | TYR | 0 | 0.080 | -0.110 | 21.935 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 114 | TYR | 0 | -0.072 | 0.091 | 22.653 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 115 | ARG | 0 | 0.019 | -0.108 | 19.206 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 115 | ARG | 1 | 0.703 | 0.959 | 16.543 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 116 | VAL | 0 | 0.070 | -0.116 | 17.704 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 116 | VAL | 0 | -0.106 | 0.127 | 18.426 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 117 | THR | 0 | 0.117 | -0.049 | 17.209 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 117 | THR | 0 | -0.057 | 0.022 | 19.052 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 118 | LEU | 0 | -0.009 | -0.154 | 15.610 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 118 | LEU | 0 | -0.041 | 0.134 | 15.011 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 119 | TRP | 0 | 0.060 | -0.106 | 12.405 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 119 | TRP | 0 | -0.083 | 0.087 | 9.764 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 120 | GLU | 0 | 0.124 | -0.053 | 11.716 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 120 | GLU | -1 | -0.859 | -0.786 | 14.335 | -0.744 | -0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 121 | THR | 0 | -0.029 | -0.100 | 11.549 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 121 | THR | 0 | -0.091 | 0.034 | 10.531 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 122 | PRO | 0 | 0.085 | -0.080 | 7.593 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 123 | ILE | 0 | 0.079 | 0.032 | 6.888 | -1.151 | -1.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 123 | ILE | 0 | -0.060 | 0.099 | 9.933 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 124 | LEU | 0 | 0.071 | -0.097 | 8.529 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 124 | LEU | 0 | -0.118 | 0.071 | 11.296 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 125 | ALA | 0 | 0.126 | -0.081 | 7.170 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 125 | ALA | 0 | -0.079 | 0.095 | 6.649 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 126 | VAL | 0 | 0.054 | -0.097 | 4.077 | -0.825 | -0.687 | 0.003 | -0.073 | -0.069 | 0.000 |
| 235 | A | 126 | VAL | 0 | -0.083 | 0.096 | 3.353 | -0.051 | -0.211 | 0.039 | 0.260 | -0.140 | 0.001 |
| 236 | A | 127 | ILE | 0 | 0.110 | -0.085 | 5.069 | -0.096 | -0.026 | -0.002 | -0.003 | -0.065 | 0.000 |
| 237 | A | 127 | ILE | 0 | -0.111 | 0.085 | 9.086 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 128 | SER | 0 | 0.114 | -0.061 | 8.450 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 128 | SER | 0 | -0.108 | 0.035 | 8.537 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 129 | GLU | 0 | 0.085 | -0.093 | 5.257 | 0.832 | 0.859 | -0.002 | -0.002 | -0.023 | 0.000 |
| 241 | A | 129 | GLU | -1 | -0.888 | -0.791 | 4.207 | -2.246 | -2.055 | 0.000 | -0.054 | -0.137 | 0.000 |
| 242 | A | 130 | LEU | 0 | 0.017 | -0.142 | 6.205 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 130 | LEU | 0 | -0.068 | 0.092 | 5.091 | 0.076 | 0.111 | -0.001 | -0.004 | -0.030 | 0.000 |
| 244 | A | 131 | TYR | 0 | 0.098 | -0.071 | 7.096 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 131 | TYR | 0 | -0.141 | 0.050 | 10.850 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 132 | TYR | 0 | 0.108 | -0.099 | 10.130 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 132 | TYR | 0 | -0.125 | 0.052 | 10.029 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 133 | ARG | 0 | 0.140 | -0.062 | 9.013 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 133 | ARG | 1 | 0.776 | 0.992 | 3.185 | -1.558 | -1.230 | 0.017 | -0.120 | -0.226 | 0.000 |
| 250 | A | 134 | PHE | 0 | 0.062 | -0.050 | 10.334 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 134 | PHE | 0 | -0.116 | 0.055 | 11.122 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 135 | ILE | 0 | -0.007 | -0.118 | 12.338 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 135 | ILE | 0 | -0.105 | 0.092 | 14.019 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 136 | GLY | 0 | -0.004 | -0.114 | 14.010 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 137 | ALA | 0 | 0.121 | 0.007 | 14.277 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 137 | ALA | 0 | -0.107 | 0.088 | 14.175 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 138 | GLU | 0 | -0.004 | -0.142 | 13.347 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 138 | GLU | -1 | -0.970 | -0.836 | 12.597 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 139 | PRO | 0 | -0.058 | -0.122 | 12.588 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 140 | ASP | 0 | 0.150 | 0.012 | 15.492 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 140 | ASP | -1 | -0.934 | -0.825 | 20.328 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 141 | TRP | 0 | 0.066 | -0.112 | 17.726 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 141 | TRP | 0 | -0.091 | 0.103 | 11.977 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 142 | LYS | 0 | 0.119 | -0.077 | 18.356 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 142 | LYS | 1 | 0.746 | 0.980 | 23.127 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 143 | GLN | 0 | 0.100 | -0.098 | 21.911 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 143 | GLN | 0 | -0.099 | 0.082 | 20.904 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 144 | VAL | 0 | 0.052 | -0.095 | 17.777 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 144 | VAL | 0 | -0.071 | 0.110 | 15.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 145 | GLU | 0 | 0.108 | -0.081 | 19.259 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 145 | GLU | -1 | -0.853 | -0.753 | 18.903 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 146 | GLU | 0 | 0.128 | -0.083 | 21.318 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 146 | GLU | -1 | -0.896 | -0.779 | 24.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 147 | VAL | 0 | 0.024 | -0.123 | 23.403 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 147 | VAL | 0 | -0.064 | 0.114 | 21.762 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 148 | THR | 0 | -0.011 | -0.111 | 20.699 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 148 | THR | 0 | -0.025 | 0.072 | 19.232 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 149 | ARG | 0 | 0.123 | -0.066 | 22.131 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 149 | ARG | 1 | 0.774 | 1.004 | 24.671 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 150 | SER | 0 | -0.008 | -0.118 | 24.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 150 | SER | 0 | -0.070 | 0.056 | 26.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 151 | LYS | 0 | 0.033 | -0.112 | 24.848 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 151 | LYS | 1 | 0.710 | 0.977 | 21.515 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 152 | GLY | 0 | 0.054 | -0.081 | 25.166 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 153 | GLU | 0 | 0.117 | 0.026 | 26.056 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 153 | GLU | -1 | -0.849 | -0.757 | 28.451 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 154 | LEU | 0 | 0.106 | -0.093 | 29.395 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 154 | LEU | 0 | -0.116 | 0.098 | 29.520 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 155 | MET | 0 | 0.073 | -0.099 | 28.401 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 155 | MET | 0 | -0.112 | 0.116 | 26.781 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 156 | ARG | 0 | 0.131 | -0.091 | 29.785 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 156 | ARG | 1 | 0.670 | 0.965 | 29.856 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 157 | GLU | 0 | 0.052 | -0.112 | 31.304 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 157 | GLU | -1 | -0.930 | -0.812 | 34.050 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 158 | HIS | 0 | -0.031 | -0.093 | 33.622 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 158 | HIS | 1 | 0.702 | 0.952 | 33.307 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 159 | ARG | 0 | 0.119 | -0.063 | 33.127 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 159 | ARG | 1 | 0.694 | 0.945 | 34.797 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 160 | ALA | 0 | 0.128 | -0.090 | 31.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 160 | ALA | 0 | -0.087 | 0.097 | 30.859 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 161 | THR | 0 | 0.057 | -0.095 | 29.482 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 161 | THR | 0 | -0.048 | 0.075 | 29.171 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 162 | PHE | 0 | 0.047 | -0.064 | 26.133 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 162 | PHE | 0 | -0.102 | 0.052 | 22.284 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 163 | SER | 0 | 0.034 | -0.083 | 22.748 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 163 | SER | 0 | 0.004 | 0.073 | 21.932 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 164 | ILE | 0 | 0.093 | -0.081 | 18.344 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 164 | ILE | 0 | -0.067 | 0.131 | 16.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 165 | PHE | 0 | -0.014 | -0.127 | 17.731 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 165 | PHE | 0 | -0.076 | 0.100 | 19.188 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 166 | GLY | 0 | 0.095 | -0.101 | 15.266 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 167 | MET | 0 | 0.157 | 0.059 | 11.250 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 167 | MET | 0 | -0.130 | 0.113 | 7.660 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 168 | ARG | 0 | 0.059 | -0.097 | 10.252 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 168 | ARG | 1 | 0.702 | 0.974 | 12.319 | 0.886 | 0.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 169 | ARG | 0 | 0.049 | -0.071 | 11.724 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 169 | ARG | 1 | 0.723 | 0.991 | 13.992 | 0.837 | 0.837 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 170 | ARG | 0 | 0.154 | -0.066 | 10.292 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 170 | ARG | 1 | 0.678 | 0.958 | 4.922 | 2.734 | 2.764 | -0.001 | -0.003 | -0.025 | 0.000 |
| 320 | A | 171 | PHE | 0 | 0.142 | -0.057 | 9.746 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 171 | PHE | 0 | -0.101 | 0.098 | 10.638 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 172 | SER | 0 | 0.047 | -0.104 | 6.995 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 172 | SER | 0 | -0.001 | 0.092 | 6.586 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 173 | LEU | 0 | 0.111 | -0.093 | 5.694 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 173 | LEU | 0 | -0.103 | 0.096 | 4.660 | 0.093 | 0.141 | -0.001 | -0.015 | -0.032 | 0.000 |
| 326 | A | 174 | GLU | 0 | 0.114 | -0.116 | 6.867 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 174 | GLU | -1 | -1.014 | -0.829 | 7.707 | 0.811 | 0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 175 | VAL | 0 | 0.044 | -0.117 | 8.804 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 175 | VAL | 0 | -0.060 | 0.120 | 10.942 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 176 | GLU | 0 | 0.142 | -0.082 | 10.317 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 176 | GLU | -1 | -0.876 | -0.812 | 10.315 | -1.015 | -1.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 177 | ASP | 0 | 0.095 | -0.101 | 10.761 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 177 | ASP | -1 | -0.905 | -0.783 | 10.418 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 178 | ARG | 0 | 0.090 | -0.099 | 12.301 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 178 | ARG | 1 | 0.714 | 0.964 | 13.803 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 179 | VAL | 0 | 0.086 | -0.111 | 14.470 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 179 | VAL | 0 | -0.100 | 0.103 | 15.047 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 180 | THR | 0 | 0.030 | -0.108 | 15.298 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 180 | THR | 0 | -0.082 | 0.042 | 14.715 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 181 | ASP | 0 | 0.050 | -0.101 | 16.564 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 181 | ASP | -1 | -0.940 | -0.837 | 17.024 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 182 | ILE | 0 | 0.051 | -0.094 | 18.504 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 182 | ILE | 0 | -0.086 | 0.101 | 18.167 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 183 | LEU | 0 | 0.106 | -0.086 | 20.030 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 183 | LEU | 0 | -0.109 | 0.080 | 19.235 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 184 | LYS | 0 | 0.087 | -0.089 | 20.929 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 184 | LYS | 1 | 0.721 | 1.000 | 19.781 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 185 | GLN | 0 | 0.033 | -0.125 | 22.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 185 | GLN | 0 | -0.107 | 0.106 | 22.344 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 186 | TYR | 0 | 0.028 | -0.113 | 24.460 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 186 | TYR | 0 | -0.092 | 0.084 | 24.224 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 187 | ALA | 0 | 0.155 | -0.091 | 25.482 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 187 | ALA | 0 | -0.041 | 0.124 | 25.153 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 188 | GLY | 0 | -0.017 | -0.096 | 26.978 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 189 | GLU | 0 | 0.079 | -0.017 | 27.888 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 189 | GLU | -1 | -0.854 | -0.770 | 31.977 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 190 | SER | 0 | -0.025 | -0.087 | 29.193 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 190 | SER | 0 | -0.074 | 0.065 | 28.551 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 191 | LEU | 0 | 0.127 | -0.092 | 24.557 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 191 | LEU | 0 | -0.103 | 0.115 | 21.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 192 | PHE | 0 | 0.084 | -0.091 | 25.589 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 192 | PHE | 0 | -0.112 | 0.085 | 25.086 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 193 | GLY | 0 | 0.033 | -0.090 | 22.233 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 194 | THR | 0 | 0.051 | 0.013 | 17.840 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 194 | THR | 0 | -0.042 | 0.083 | 16.042 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 195 | SER | 0 | 0.099 | -0.040 | 17.378 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 195 | SER | 0 | -0.110 | 0.012 | 16.543 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 196 | ASN | 0 | 0.139 | -0.039 | 13.374 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 196 | ASN | 0 | -0.132 | 0.051 | 10.061 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 197 | VAL | 0 | 0.060 | -0.098 | 14.340 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 197 | VAL | 0 | -0.084 | 0.100 | 15.131 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 198 | HIS | 0 | 0.116 | -0.071 | 11.589 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 198 | HIS | 0 | -0.083 | 0.084 | 9.072 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 199 | LEU | 0 | 0.116 | -0.093 | 13.006 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 199 | LEU | 0 | -0.121 | 0.102 | 10.551 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 200 | ALA | 0 | 0.107 | -0.096 | 13.887 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 200 | ALA | 0 | -0.095 | 0.082 | 17.748 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 201 | HIS | 0 | 0.064 | -0.078 | 16.712 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 201 | HIS | 0 | -0.113 | 0.069 | 15.398 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 202 | LYS | 0 | 0.116 | -0.072 | 14.427 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 202 | LYS | 1 | 0.724 | 0.985 | 12.669 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 203 | HIS | 0 | -0.069 | -0.148 | 15.932 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 203 | HIS | 0 | -0.084 | 0.093 | 14.886 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 204 | GLY | 0 | 0.098 | -0.067 | 18.439 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 205 | LEU | 0 | -0.008 | -0.043 | 20.432 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 205 | LEU | 0 | -0.063 | 0.104 | 18.961 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 206 | ARG | 0 | 0.146 | -0.062 | 21.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 206 | ARG | 1 | 0.791 | 1.023 | 24.517 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 207 | VAL | 0 | 0.095 | -0.093 | 20.405 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 207 | VAL | 0 | -0.053 | 0.132 | 18.881 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 208 | SER | 0 | 0.060 | -0.113 | 20.759 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 208 | SER | 0 | -0.085 | 0.051 | 21.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 209 | GLY | 0 | -0.043 | -0.109 | 20.859 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 210 | THR | 0 | -0.048 | 0.014 | 22.773 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 210 | THR | 0 | -0.003 | 0.060 | 25.165 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 211 | HIS | 0 | 0.132 | -0.055 | 23.566 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 211 | HIS | 0 | -0.074 | 0.099 | 26.576 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 212 | PRO | 0 | 0.015 | -0.076 | 21.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 213 | HIS | 0 | 0.160 | 0.009 | 23.829 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 213 | HIS | 0 | -0.115 | 0.065 | 24.435 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 214 | GLU | 0 | 0.071 | -0.076 | 23.286 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 214 | GLU | -1 | -0.781 | -0.717 | 20.204 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 215 | TRP | 0 | 0.162 | -0.076 | 24.654 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 215 | TRP | 0 | -0.096 | 0.096 | 25.992 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 216 | ILE | 0 | 0.010 | -0.108 | 26.968 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 216 | ILE | 0 | -0.075 | 0.115 | 28.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 217 | GLN | 0 | 0.098 | -0.086 | 27.722 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 217 | GLN | 0 | -0.109 | 0.066 | 25.094 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 218 | PHE | 0 | 0.140 | -0.039 | 27.990 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 218 | PHE | 0 | -0.070 | 0.079 | 27.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 219 | HIS | 0 | 0.052 | -0.090 | 29.279 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 219 | HIS | 1 | 0.600 | 0.922 | 30.514 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 220 | GLY | 0 | 0.049 | -0.112 | 32.063 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 221 | ALA | 0 | 0.088 | 0.014 | 31.688 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 221 | ALA | 0 | -0.071 | 0.073 | 31.148 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 222 | ILE | 0 | 0.028 | -0.079 | 33.088 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 222 | ILE | 0 | -0.098 | 0.081 | 31.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 223 | TYR | 0 | 0.037 | -0.128 | 34.759 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 223 | TYR | 0 | -0.122 | 0.075 | 34.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 224 | GLY | 0 | 0.087 | -0.051 | 36.692 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 225 | TYR | 0 | 0.127 | -0.015 | 36.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 225 | TYR | 0 | -0.098 | 0.076 | 33.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 226 | LYS | 0 | 0.054 | -0.107 | 37.624 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 226 | LYS | 1 | 0.865 | 1.057 | 42.233 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 227 | MET | 0 | 0.000 | -0.129 | 39.463 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 227 | MET | 0 | -0.053 | 0.125 | 39.804 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 228 | ALA | 0 | 0.076 | -0.100 | 35.155 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 228 | ALA | 0 | -0.053 | 0.118 | 34.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 229 | ASN | 0 | 0.093 | -0.074 | 34.421 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 229 | ASN | 0 | -0.082 | 0.061 | 34.181 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 230 | TYR | 0 | 0.142 | -0.059 | 35.490 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 230 | TYR | 0 | -0.135 | 0.043 | 39.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 231 | VAL | 0 | 0.086 | -0.115 | 37.181 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 231 | VAL | 0 | -0.060 | 0.115 | 36.138 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 232 | ALA | 0 | 0.093 | -0.095 | 32.617 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 232 | ALA | 0 | -0.017 | 0.105 | 31.599 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 233 | MET | 0 | 0.064 | -0.087 | 32.786 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 233 | MET | 0 | -0.108 | 0.088 | 34.136 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 234 | GLU | 0 | 0.033 | -0.093 | 34.818 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 234 | GLU | -1 | -0.816 | -0.745 | 37.862 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 235 | ASP | 0 | 0.112 | -0.077 | 33.821 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 235 | ASP | -1 | -0.880 | -0.793 | 32.959 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 236 | TRP | 0 | 0.125 | -0.075 | 31.287 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 236 | TRP | 0 | -0.126 | 0.069 | 25.332 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 237 | ILE | 0 | 0.099 | -0.080 | 32.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 237 | ILE | 0 | -0.128 | 0.066 | 35.688 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 238 | ASN | 0 | 0.125 | -0.041 | 35.224 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 238 | ASN | 0 | -0.136 | 0.052 | 34.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 239 | VAL | 0 | 0.013 | -0.109 | 30.693 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 239 | VAL | 0 | -0.097 | 0.096 | 28.549 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 240 | TYR | 0 | 0.068 | -0.085 | 31.199 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 240 | TYR | 0 | -0.132 | 0.053 | 25.776 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 241 | ASP | 0 | 0.070 | -0.106 | 32.189 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 241 | ASP | -1 | -0.995 | -0.835 | 35.604 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 242 | GLY | 0 | -0.028 | -0.158 | 34.442 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 243 | ASP | 0 | 0.079 | -0.002 | 31.509 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 243 | ASP | -1 | -0.898 | -0.801 | 30.394 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 244 | LEU | 0 | -0.039 | -0.143 | 28.296 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 244 | LEU | 0 | -0.075 | 0.105 | 25.770 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 245 | GLY | 0 | 0.054 | -0.072 | 29.409 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 246 | THR | 0 | -0.036 | -0.046 | 29.875 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 246 | THR | 0 | 0.002 | 0.068 | 28.925 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 247 | VAL | 0 | 0.042 | -0.087 | 29.797 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 247 | VAL | 0 | -0.104 | 0.086 | 32.020 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 248 | LEU | 0 | 0.094 | -0.126 | 28.615 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 248 | LEU | 0 | -0.115 | 0.106 | 25.200 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 249 | THR | 0 | -0.019 | -0.108 | 29.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 249 | THR | 0 | -0.015 | 0.063 | 33.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 250 | ASP | 0 | 0.068 | -0.067 | 31.123 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 250 | ASP | -1 | -0.743 | -0.719 | 29.011 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 251 | THR | 0 | -0.004 | -0.106 | 29.792 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 251 | THR | 0 | 0.009 | 0.082 | 28.761 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 252 | TYR | 0 | 0.074 | -0.044 | 30.717 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 252 | TYR | 0 | -0.108 | 0.053 | 31.124 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 253 | THR | 0 | 0.081 | -0.087 | 33.660 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 253 | THR | 0 | -0.050 | 0.085 | 35.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 254 | THR | 0 | 0.095 | -0.069 | 35.429 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 254 | THR | 0 | -0.068 | 0.050 | 34.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 255 | ASP | 0 | 0.055 | -0.111 | 36.677 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 255 | ASP | -1 | -0.850 | -0.784 | 39.553 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 256 | VAL | 0 | 0.017 | -0.149 | 38.763 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 256 | VAL | 0 | -0.047 | 0.133 | 38.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 257 | PHE | 0 | 0.089 | -0.076 | 36.684 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 257 | PHE | 0 | -0.070 | 0.103 | 34.739 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 258 | MET | 0 | 0.073 | -0.120 | 37.995 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 258 | MET | 0 | -0.089 | 0.118 | 37.326 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 259 | ARG | 0 | 0.106 | -0.089 | 40.683 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 259 | ARG | 1 | 0.776 | 1.038 | 42.678 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 260 | ASN | 0 | 0.017 | -0.073 | 41.566 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 260 | ASN | 0 | -0.142 | 0.030 | 40.603 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 261 | PHE | 0 | 0.111 | -0.092 | 40.501 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 261 | PHE | 0 | -0.080 | 0.117 | 37.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 262 | SER | 0 | 0.070 | -0.066 | 41.243 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 262 | SER | 0 | -0.017 | 0.068 | 43.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 263 | LYS | 0 | 0.152 | -0.057 | 42.893 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 263 | LYS | 1 | 0.760 | 1.021 | 46.789 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 264 | LYS | 0 | 0.065 | -0.088 | 43.907 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 264 | LYS | 1 | 0.805 | 0.993 | 41.698 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 265 | HIS | 0 | 0.107 | -0.042 | 39.629 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 265 | HIS | 1 | 0.738 | 0.943 | 38.665 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 266 | ALA | 0 | 0.086 | -0.087 | 39.391 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 266 | ALA | 0 | -0.063 | 0.104 | 42.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 267 | MET | 0 | 0.123 | -0.086 | 41.226 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 267 | MET | 0 | -0.134 | 0.071 | 43.928 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 268 | LEU | 0 | 0.064 | -0.091 | 39.977 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 268 | LEU | 0 | -0.087 | 0.095 | 38.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 269 | PHE | 0 | 0.128 | -0.075 | 36.098 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 269 | PHE | 0 | -0.092 | 0.094 | 32.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 270 | THR | 0 | 0.032 | -0.086 | 35.365 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 270 | THR | 0 | 0.017 | 0.098 | 33.731 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 271 | SER | 0 | 0.003 | -0.081 | 33.245 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 271 | SER | 0 | -0.017 | 0.093 | 32.487 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 272 | LEU | 0 | 0.044 | -0.085 | 32.918 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 272 | LEU | 0 | -0.043 | 0.093 | 33.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 273 | ARG | 0 | 0.147 | -0.068 | 28.567 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 273 | ARG | 1 | 0.726 | 0.969 | 22.240 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 274 | HIS | 0 | 0.040 | -0.116 | 29.856 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 274 | HIS | 0 | -0.081 | 0.084 | 30.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 275 | ASP | 0 | 0.077 | -0.082 | 26.688 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 275 | ASP | -1 | -0.862 | -0.787 | 24.344 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 276 | SER | 0 | 0.054 | -0.111 | 26.748 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 276 | SER | 0 | -0.065 | 0.052 | 28.346 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 277 | GLY | 0 | 0.014 | -0.069 | 29.378 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 278 | ASP | 0 | 0.064 | -0.008 | 32.407 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 278 | ASP | -1 | -0.873 | -0.796 | 36.416 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 279 | PRO | 0 | 0.003 | -0.105 | 32.919 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 280 | GLU | 0 | 0.131 | -0.012 | 34.794 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 280 | GLU | -1 | -0.957 | -0.823 | 38.848 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 281 | ILE | 0 | 0.097 | -0.093 | 38.590 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 281 | ILE | 0 | -0.087 | 0.096 | 38.350 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 282 | PHE | 0 | 0.076 | -0.095 | 35.551 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 282 | PHE | 0 | -0.096 | 0.087 | 33.257 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 283 | ILE | 0 | 0.064 | -0.091 | 37.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 283 | ILE | 0 | -0.074 | 0.095 | 36.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 284 | GLU | 0 | 0.071 | -0.122 | 38.949 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 284 | GLU | -1 | -0.910 | -0.796 | 42.132 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 285 | LYS | 0 | -0.014 | -0.106 | 40.097 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 285 | LYS | 1 | 0.720 | 0.957 | 37.618 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 286 | ALA | 0 | 0.122 | -0.085 | 38.642 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 286 | ALA | 0 | -0.081 | 0.094 | 37.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 287 | VAL | 0 | 0.026 | -0.116 | 39.913 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 287 | VAL | 0 | -0.091 | 0.099 | 41.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 288 | ARG | 0 | 0.175 | -0.057 | 42.747 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 288 | ARG | 1 | 0.859 | 1.076 | 44.537 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 289 | ARG | 0 | 0.037 | -0.098 | 42.957 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 289 | ARG | 1 | 0.808 | 1.020 | 42.050 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 290 | TYR | 0 | 0.062 | -0.100 | 43.220 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 290 | TYR | 0 | -0.074 | 0.082 | 37.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 291 | GLU | 0 | 0.140 | -0.109 | 44.140 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 291 | GLU | -1 | -0.982 | -0.828 | 46.552 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 292 | GLU | 0 | 0.017 | -0.131 | 47.372 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 292 | GLU | -1 | -0.930 | -0.817 | 47.011 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 293 | LEU | 0 | -0.011 | -0.106 | 46.139 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 293 | LEU | 0 | -0.094 | 0.105 | 43.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 294 | ARG | 0 | 0.108 | -0.068 | 47.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 294 | ARG | 1 | 0.760 | 1.010 | 50.893 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 295 | VAL | 0 | 0.038 | -0.152 | 45.152 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 295 | VAL | 0 | -0.096 | 0.090 | 43.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 296 | ASP | 0 | 0.140 | -0.083 | 45.945 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 296 | ASP | -1 | -0.884 | -0.797 | 45.383 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 297 | PRO | 0 | 0.013 | -0.102 | 42.115 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 298 | LYS | 0 | 0.102 | 0.015 | 41.186 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 298 | LYS | 1 | 0.853 | 1.075 | 44.175 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 299 | ILE | 0 | 0.048 | -0.128 | 41.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 299 | ILE | 0 | -0.098 | 0.103 | 42.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 300 | LYS | 0 | 0.050 | -0.080 | 38.470 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 300 | LYS | 1 | 0.769 | 1.014 | 38.268 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 301 | TYR | 0 | 0.051 | -0.098 | 34.548 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 301 | TYR | 0 | -0.040 | 0.094 | 33.827 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 302 | ILE | 0 | 0.076 | -0.087 | 33.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 302 | ILE | 0 | -0.069 | 0.094 | 32.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 303 | ILE | 0 | 0.126 | -0.060 | 28.536 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 303 | ILE | 0 | -0.148 | 0.098 | 25.734 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 304 | PHE | 0 | 0.090 | -0.105 | 29.003 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 304 | PHE | 0 | -0.091 | 0.080 | 29.705 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 305 | SER | 0 | 0.021 | -0.055 | 24.622 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 305 | SER | 0 | -0.053 | 0.039 | 23.622 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 306 | ASP | 0 | 0.162 | -0.113 | 24.151 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 306 | ASP | -1 | -0.951 | -0.807 | 26.772 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 307 | SER | 0 | -0.046 | -0.098 | 23.420 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 307 | SER | 0 | -0.064 | 0.054 | 24.863 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 308 | LEU | 0 | 0.000 | -0.127 | 24.497 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 308 | LEU | 0 | -0.061 | 0.113 | 24.883 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 309 | THR | 0 | 0.024 | -0.074 | 23.890 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 309 | THR | 0 | 0.002 | 0.063 | 24.801 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 310 | PRO | 0 | 0.102 | -0.070 | 24.703 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 311 | GLN | 0 | 0.131 | 0.038 | 27.766 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 311 | GLN | 0 | -0.133 | 0.062 | 30.287 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 312 | ARG | 0 | 0.120 | -0.100 | 29.605 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 312 | ARG | 1 | 0.773 | 1.024 | 28.929 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 313 | ALA | 0 | 0.074 | -0.092 | 29.429 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 313 | ALA | 0 | -0.055 | 0.094 | 28.504 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 314 | ILE | 0 | 0.147 | -0.067 | 30.555 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 314 | ILE | 0 | -0.113 | 0.082 | 31.542 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 315 | GLU | 0 | 0.047 | -0.141 | 33.501 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 315 | GLU | -1 | -0.862 | -0.753 | 34.043 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 316 | ILE | 0 | 0.118 | -0.072 | 33.618 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 316 | ILE | 0 | -0.046 | 0.112 | 31.131 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 317 | GLN | 0 | 0.153 | -0.084 | 34.449 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 317 | GLN | 0 | -0.146 | 0.071 | 34.333 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 318 | LYS | 0 | -0.002 | -0.128 | 35.907 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 318 | LYS | 1 | 0.787 | 1.015 | 37.331 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 319 | LEU | 0 | 0.051 | -0.108 | 38.430 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 319 | LEU | 0 | -0.102 | 0.112 | 36.946 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 320 | CYS | 0 | 0.114 | -0.115 | 37.971 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 320 | CYS | 0 | -0.147 | 0.110 | 36.581 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 321 | ALA | 0 | 0.091 | -0.093 | 39.299 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 321 | ALA | 0 | -0.058 | 0.128 | 41.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 322 | GLY | 0 | -0.050 | -0.127 | 41.798 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 323 | ARG | 0 | 0.008 | -0.030 | 42.706 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 323 | ARG | 1 | 0.793 | 0.992 | 42.022 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 324 | ILE | 0 | 0.055 | -0.081 | 39.637 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 324 | ILE | 0 | -0.102 | 0.076 | 37.640 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 325 | LYS | 0 | 0.096 | -0.087 | 37.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 325 | LYS | 1 | 0.728 | 0.994 | 36.613 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 326 | ALA | 0 | 0.057 | -0.120 | 33.859 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 326 | ALA | 0 | -0.046 | 0.104 | 33.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 327 | SER | 0 | 0.021 | -0.054 | 30.074 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 327 | SER | 0 | -0.046 | 0.048 | 29.173 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 328 | PHE | 0 | 0.019 | -0.100 | 27.421 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 328 | PHE | 0 | -0.065 | 0.108 | 27.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 329 | GLY | 0 | 0.066 | -0.098 | 23.376 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 330 | ILE | 0 | 0.072 | -0.019 | 21.975 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 330 | ILE | 0 | -0.093 | 0.111 | 21.461 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 331 | GLY | 0 | 0.067 | -0.082 | 17.932 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 332 | THR | 0 | 0.088 | 0.062 | 16.302 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 332 | THR | 0 | 0.015 | 0.084 | 16.664 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 333 | ASN | 0 | 0.031 | -0.079 | 17.339 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 333 | ASN | 0 | -0.065 | 0.068 | 21.752 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 334 | LEU | 0 | 0.030 | -0.101 | 18.563 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 334 | LEU | 0 | -0.086 | 0.076 | 18.359 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 335 | THR | 0 | 0.061 | -0.069 | 14.026 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 335 | THR | 0 | -0.065 | 0.048 | 12.951 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 336 | ASN | 0 | 0.145 | -0.055 | 13.238 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 336 | ASN | 0 | -0.146 | 0.054 | 13.387 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 337 | ASP | 0 | 0.134 | -0.071 | 15.224 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 337 | ASP | -1 | -0.942 | -0.813 | 19.640 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 338 | VAL | 0 | -0.016 | -0.139 | 16.232 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 338 | VAL | 0 | -0.022 | 0.136 | 14.240 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 339 | GLY | 0 | 0.088 | -0.066 | 17.704 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 340 | GLY | 0 | 0.002 | -0.024 | 19.783 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 341 | GLY | 0 | -0.045 | -0.025 | 21.603 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 342 | VAL | 0 | 0.082 | 0.015 | 17.539 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 342 | VAL | 0 | -0.061 | 0.111 | 15.378 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 343 | GLU | 0 | 0.035 | -0.109 | 18.672 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 343 | GLU | -1 | -0.890 | -0.789 | 17.717 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 344 | PRO | 0 | -0.021 | -0.108 | 15.615 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 345 | LEU | 0 | 0.107 | 0.006 | 14.513 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 345 | LEU | 0 | -0.069 | 0.122 | 12.097 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 346 | ASN | 0 | 0.072 | -0.092 | 15.812 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 346 | ASN | 0 | -0.076 | 0.099 | 19.724 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 347 | ILE | 0 | 0.094 | -0.121 | 14.749 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 347 | ILE | 0 | -0.043 | 0.134 | 11.701 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 348 | VAL | 0 | 0.046 | -0.090 | 16.209 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 348 | VAL | 0 | -0.099 | 0.067 | 18.331 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 349 | MET | 0 | 0.204 | -0.061 | 15.740 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 349 | MET | 0 | -0.099 | 0.121 | 14.592 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 350 | LYS | 0 | -0.035 | -0.129 | 17.081 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 350 | LYS | 1 | 0.772 | 0.996 | 18.327 | 0.692 | 0.692 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 351 | LEU | 0 | 0.145 | -0.075 | 20.342 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 351 | LEU | 0 | -0.114 | 0.106 | 22.606 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 352 | TRP | 0 | 0.115 | -0.088 | 22.846 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 352 | TRP | 0 | -0.157 | 0.053 | 23.873 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 353 | LYS | 0 | 0.058 | -0.108 | 25.324 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 353 | LYS | 1 | 0.758 | 1.021 | 26.519 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 354 | CYS | 0 | 0.028 | -0.120 | 26.133 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 354 | CYS | 0 | -0.096 | 0.117 | 27.179 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 355 | LYS | 0 | 0.140 | -0.102 | 28.344 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 355 | LYS | 1 | 0.717 | 1.028 | 29.624 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 356 | MET | 0 | 0.206 | -0.090 | 30.199 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 356 | MET | 0 | -0.125 | 0.114 | 33.735 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 357 | THR | 0 | -0.056 | -0.105 | 32.240 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 357 | THR | 0 | -0.036 | 0.043 | 34.144 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 358 | ALA | 0 | 0.225 | -0.040 | 31.209 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 358 | ALA | 0 | -0.101 | 0.086 | 30.934 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 359 | LYS | 0 | -0.040 | -0.103 | 32.058 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 359 | LYS | 1 | 0.868 | 1.037 | 34.390 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 360 | ASP | 0 | 0.169 | -0.045 | 34.766 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 360 | ASP | -1 | -0.930 | -0.803 | 34.152 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 361 | ASP | 0 | 0.154 | -0.066 | 34.755 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 361 | ASP | -1 | -0.988 | -0.827 | 36.484 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 362 | TRP | 0 | -0.021 | -0.144 | 32.070 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 362 | TRP | 0 | -0.123 | 0.066 | 26.502 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 363 | HIS | 0 | 0.149 | -0.082 | 31.962 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 363 | HIS | 0 | -0.107 | 0.097 | 32.551 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 364 | TYR | 0 | 0.128 | -0.074 | 30.113 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 364 | TYR | 0 | -0.087 | 0.079 | 29.313 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 365 | CYS | 0 | 0.103 | -0.105 | 27.879 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 365 | CYS | 0 | -0.141 | 0.103 | 27.117 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 366 | VAL | 0 | -0.002 | -0.111 | 28.308 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 366 | VAL | 0 | -0.048 | 0.126 | 30.501 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 367 | LYS | 0 | 0.103 | -0.091 | 28.298 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 367 | LYS | 1 | 0.730 | 0.980 | 26.181 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 368 | LEU | 0 | 0.022 | -0.125 | 29.688 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 368 | LEU | 0 | -0.059 | 0.124 | 33.215 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 369 | SER | 0 | 0.058 | -0.017 | 30.341 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 369 | SER | 0 | -0.022 | 0.051 | 29.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 370 | ASP | 0 | 0.080 | -0.077 | 31.285 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 370 | ASP | -1 | -0.838 | -0.767 | 32.948 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 371 | VAL | 0 | 0.087 | -0.089 | 32.667 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 371 | VAL | 0 | -0.118 | 0.059 | 31.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 372 | ASP | 0 | 0.103 | -0.115 | 33.496 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 372 | ASP | -1 | -0.930 | -0.806 | 37.407 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 373 | GLY | 0 | -0.010 | -0.108 | 34.695 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 374 | LYS | 0 | -0.012 | 0.004 | 30.543 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 374 | LYS | 1 | 0.852 | 1.054 | 29.288 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 375 | HIS | 0 | 0.036 | -0.110 | 30.362 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 375 | HIS | 0 | -0.082 | 0.074 | 32.352 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 376 | THR | 0 | 0.000 | -0.104 | 26.756 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 376 | THR | 0 | -0.049 | 0.060 | 25.501 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 711 | A | 377 | GLY | 0 | 0.087 | -0.064 | 27.504 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 712 | A | 378 | GLU | 0 | 0.117 | -0.009 | 28.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 713 | A | 378 | GLU | -1 | -0.920 | -0.792 | 29.978 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 714 | A | 379 | PRO | 0 | 0.012 | -0.117 | 31.018 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 715 | A | 380 | GLU | 0 | 0.153 | 0.010 | 33.872 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 716 | A | 380 | GLU | -1 | -0.997 | -0.840 | 36.395 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 717 | A | 381 | GLU | 0 | 0.069 | -0.097 | 33.994 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 718 | A | 381 | GLU | -1 | -0.899 | -0.791 | 32.953 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 719 | A | 382 | ILE | 0 | 0.090 | -0.088 | 34.004 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 720 | A | 382 | ILE | 0 | -0.094 | 0.080 | 30.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 721 | A | 383 | LEU | 0 | 0.097 | -0.107 | 34.709 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 722 | A | 383 | LEU | 0 | -0.093 | 0.121 | 38.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 723 | A | 384 | LEU | 0 | 0.107 | -0.110 | 38.249 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 724 | A | 384 | LEU | 0 | -0.066 | 0.134 | 37.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 725 | A | 385 | ALA | 0 | 0.116 | -0.085 | 36.025 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 726 | A | 385 | ALA | 0 | -0.081 | 0.103 | 35.511 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 727 | A | 386 | MET | 0 | 0.074 | -0.116 | 37.537 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 728 | A | 386 | MET | 0 | -0.098 | 0.104 | 36.959 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 729 | A | 387 | ASN | 0 | 0.073 | -0.123 | 39.252 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 730 | A | 387 | ASN | 0 | -0.093 | 0.108 | 42.224 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 731 | A | 388 | THR | 0 | -0.025 | -0.095 | 41.115 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 732 | A | 388 | THR | 0 | -0.081 | 0.044 | 40.146 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 733 | A | 389 | LEU | 0 | -0.027 | -0.140 | 40.442 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 734 | A | 389 | LEU | 0 | -0.077 | 0.110 | 37.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 735 | A | 390 | GLY | 0 | -0.034 | -0.123 | 41.875 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 736 | A | 391 | ILE | 0 | -0.080 | -0.037 | 40.611 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 737 | A | 391 | ILE | 0 | 0.042 | 0.037 | 38.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |