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: Q486Y
Calculation Name: 2SLI-A-Xray549
Preferred Name:
Target Type:
Ligand Name: 2-acetylamino-7-(1,2-dihydroxy-ethyl)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octane-5-carboxylic acid
Ligand 3-letter code: SKD
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2SLI
Chain ID: A
UniProt ID: Q27701
Base Structure: X-ray
Registration Date: 2025-10-12
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | ac.sh, 23 2024 Oct |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 679 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -15779640.175445 |
|---|---|
| FMO2-HF: Nuclear repulsion | 15519727.443543 |
| FMO2-HF: Total energy | -259912.731902 |
| FMO2-MP2: Total energy | -260679.566676 |
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:81:ILE)
Summations of interaction energy for
fragment #1(A:81: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. |
| -156.311 | -147.055 | 9.235 | -5.761 | -12.729 | -0.053 |
Interaction energy analysis for fragmet #1(A:81: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]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 83 | GLU | -1 | -0.838 | -0.914 | 2.582 | -46.926 | -44.032 | 0.850 | -1.631 | -2.113 | -0.016 |
| 4 | A | 84 | GLY | 0 | 0.015 | 0.024 | 5.200 | 2.432 | 2.491 | -0.001 | -0.002 | -0.056 | 0.000 |
| 6 | A | 86 | LEU | 0 | -0.060 | -0.038 | 2.368 | -3.447 | -3.294 | 2.039 | -0.416 | -1.777 | -0.007 |
| 30 | A | 110 | TYR | 0 | -0.011 | -0.018 | 2.232 | -6.759 | -4.308 | 2.616 | -1.532 | -3.535 | -0.010 |
| 31 | A | 111 | VAL | 0 | 0.044 | 0.022 | 2.964 | -3.829 | -2.756 | 0.264 | -0.362 | -0.974 | -0.007 |
| 33 | A | 113 | ALA | 0 | -0.012 | -0.004 | 2.561 | 1.443 | 1.816 | 0.357 | -0.175 | -0.555 | 0.000 |
| 34 | A | 114 | MET | 0 | -0.054 | 0.002 | 2.507 | -7.111 | -5.338 | 1.888 | -1.397 | -2.264 | -0.012 |
| 35 | A | 115 | THR | 0 | 0.037 | 0.004 | 3.227 | 3.262 | 3.344 | 0.026 | 0.260 | -0.368 | 0.000 |
| 36 | A | 116 | GLN | 0 | -0.002 | 0.003 | 5.170 | 6.383 | 6.400 | -0.001 | -0.003 | -0.012 | 0.000 |
| 179 | A | 259 | SER | 0 | -0.026 | -0.040 | 2.508 | 2.368 | 2.680 | 1.198 | -0.488 | -1.022 | -0.001 |
| 180 | A | 260 | ASN | 0 | 0.038 | 0.019 | 4.369 | -0.881 | -0.812 | -0.001 | -0.015 | -0.053 | 0.000 |
| 5 | A | 85 | ILE | 0 | -0.017 | -0.004 | 6.090 | -2.526 | -2.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 87 | MET | 0 | -0.047 | -0.034 | 5.889 | 1.175 | 1.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 88 | GLU | -1 | -0.816 | -0.905 | 9.416 | -17.467 | -17.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 89 | LYS | 1 | 0.838 | 0.934 | 13.022 | 15.661 | 15.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 90 | ASN | 0 | -0.004 | 0.000 | 16.227 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 91 | ASN | 0 | -0.057 | -0.033 | 19.802 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 92 | VAL | 0 | -0.018 | -0.004 | 19.428 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 93 | ASP | -1 | -0.843 | -0.893 | 22.726 | -10.447 | -10.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 94 | ILE | 0 | -0.087 | -0.036 | 21.252 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 95 | ALA | 0 | 0.011 | 0.005 | 25.734 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 96 | GLU | -1 | -0.816 | -0.898 | 27.320 | -9.451 | -9.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 97 | GLY | 0 | -0.036 | -0.012 | 27.772 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 98 | GLN | 0 | -0.074 | -0.037 | 26.282 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 99 | GLY | 0 | 0.026 | 0.021 | 22.250 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 100 | TYR | 0 | 0.027 | 0.003 | 18.422 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 101 | SER | 0 | -0.088 | -0.049 | 17.119 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 102 | LEU | 0 | 0.071 | 0.016 | 13.419 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 103 | ASP | -1 | -0.793 | -0.894 | 13.163 | -19.522 | -19.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 104 | GLN | 0 | -0.074 | -0.037 | 13.353 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 105 | GLU | -1 | -0.830 | -0.908 | 11.677 | -18.189 | -18.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 106 | ALA | 0 | 0.010 | 0.001 | 11.092 | -1.578 | -1.578 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 107 | GLY | 0 | 0.023 | 0.009 | 6.978 | -2.138 | -2.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 108 | ALA | 0 | 0.025 | 0.009 | 6.320 | -3.511 | -3.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 109 | LYS | 1 | 0.897 | 0.948 | 5.826 | 31.460 | 31.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 112 | LYS | 1 | 0.806 | 0.886 | 5.485 | 22.958 | 22.958 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 117 | GLY | 0 | 0.001 | 0.007 | 5.986 | -3.785 | -3.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 118 | THR | 0 | 0.015 | -0.005 | 7.641 | 3.220 | 3.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 119 | ILE | 0 | -0.069 | -0.026 | 9.604 | -1.558 | -1.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 120 | ILE | 0 | 0.035 | 0.020 | 12.025 | 0.992 | 0.992 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 121 | LEU | 0 | -0.009 | -0.010 | 15.325 | -0.547 | -0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 122 | SER | 0 | 0.010 | 0.022 | 17.942 | 0.642 | 0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 123 | TYR | 0 | 0.005 | -0.013 | 21.684 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 124 | LYS | 1 | 0.992 | 1.012 | 23.761 | 10.012 | 10.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 125 | SER | 0 | -0.021 | -0.027 | 27.363 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 126 | THR | 0 | -0.003 | -0.026 | 28.564 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 127 | SER | 0 | -0.040 | -0.026 | 29.410 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 128 | GLU | -1 | -0.802 | -0.907 | 31.491 | -8.493 | -8.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 129 | ASN | 0 | -0.042 | -0.009 | 28.951 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 130 | GLY | 0 | 0.002 | -0.001 | 30.007 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 131 | ILE | 0 | -0.013 | -0.012 | 24.257 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 132 | GLN | 0 | -0.007 | 0.005 | 24.771 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 133 | SER | 0 | 0.022 | -0.012 | 19.088 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 134 | LEU | 0 | -0.022 | 0.004 | 19.061 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 135 | PHE | 0 | 0.017 | -0.004 | 10.135 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 136 | SER | 0 | -0.005 | -0.015 | 14.374 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 137 | VAL | 0 | 0.011 | 0.007 | 8.593 | -0.685 | -0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 138 | GLY | 0 | 0.039 | 0.017 | 11.985 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 139 | ASN | 0 | -0.009 | 0.032 | 13.414 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 140 | SER | 0 | -0.053 | -0.052 | 15.705 | 0.917 | 0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 141 | THR | 0 | -0.011 | -0.028 | 18.764 | 0.966 | 0.966 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 142 | ALA | 0 | 0.018 | -0.009 | 20.927 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 143 | GLY | 0 | -0.040 | -0.012 | 23.181 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 144 | ASN | 0 | -0.023 | -0.012 | 18.556 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 145 | GLN | 0 | 0.085 | 0.035 | 19.282 | -0.732 | -0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 146 | ASP | -1 | -0.799 | -0.885 | 20.412 | -11.878 | -11.878 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 147 | ARG | 1 | 0.811 | 0.906 | 15.439 | 14.204 | 14.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 148 | HIS | 0 | -0.027 | -0.021 | 14.374 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 149 | PHE | 0 | 0.033 | 0.022 | 11.116 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 150 | HIS | 0 | -0.040 | -0.028 | 13.893 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 151 | ILE | 0 | 0.043 | 0.033 | 13.929 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 152 | TYR | 0 | -0.028 | -0.017 | 17.529 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 153 | ILE | 0 | 0.033 | 0.024 | 21.293 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 154 | THR | 0 | -0.013 | -0.016 | 24.674 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 155 | ASN | 0 | -0.016 | -0.014 | 28.252 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 156 | SER | 0 | 0.039 | 0.012 | 31.476 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 157 | GLY | 0 | 0.050 | 0.021 | 30.060 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 158 | GLY | 0 | -0.033 | -0.006 | 28.152 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 159 | ILE | 0 | -0.021 | -0.009 | 21.139 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 160 | GLY | 0 | 0.044 | 0.013 | 21.774 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 161 | ILE | 0 | -0.037 | -0.009 | 16.166 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 162 | GLU | -1 | -0.840 | -0.905 | 17.925 | -11.831 | -11.831 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 163 | LEU | 0 | -0.005 | -0.003 | 12.365 | -0.778 | -0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 164 | ARG | 1 | 0.818 | 0.897 | 15.811 | 12.997 | 12.997 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 165 | ASN | 0 | 0.033 | 0.018 | 14.382 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 166 | THR | 0 | -0.030 | -0.029 | 16.701 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 167 | ASP | -1 | -0.774 | -0.901 | 20.269 | -12.114 | -12.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 168 | GLY | 0 | -0.050 | -0.012 | 22.572 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 169 | VAL | 0 | -0.090 | -0.028 | 16.906 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 170 | PHE | 0 | 0.022 | -0.012 | 13.078 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 171 | ASN | 0 | -0.016 | -0.005 | 18.887 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 172 | TYR | 0 | -0.073 | -0.055 | 16.108 | 0.839 | 0.839 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 173 | THR | 0 | 0.021 | 0.005 | 18.763 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 174 | LEU | 0 | 0.001 | -0.001 | 19.898 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 175 | ASP | -1 | -0.907 | -0.965 | 21.646 | -10.976 | -10.976 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 176 | ARG | 1 | 0.839 | 0.924 | 24.236 | 10.011 | 10.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 177 | PRO | 0 | -0.008 | 0.002 | 27.004 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 178 | ALA | 0 | 0.043 | 0.020 | 30.007 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 179 | SER | 0 | -0.002 | -0.003 | 26.497 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 180 | VAL | 0 | -0.072 | -0.025 | 25.123 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 181 | ARG | 1 | 0.815 | 0.888 | 28.429 | 8.645 | 8.645 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 182 | ALA | 0 | -0.022 | 0.000 | 30.339 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 183 | LEU | 0 | -0.067 | -0.033 | 32.177 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 184 | TYR | 0 | 0.012 | -0.002 | 35.374 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 185 | LYS | 1 | 0.839 | 0.912 | 37.067 | 7.117 | 7.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 186 | GLY | 0 | 0.037 | 0.032 | 40.022 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 187 | GLU | -1 | -0.940 | -0.961 | 36.372 | -7.951 | -7.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 188 | ARG | 1 | 0.798 | 0.873 | 32.270 | 8.648 | 8.648 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 189 | VAL | 0 | 0.017 | 0.013 | 31.229 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 190 | PHE | 0 | -0.023 | -0.025 | 25.295 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 191 | ASN | 0 | 0.034 | 0.034 | 25.687 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 192 | THR | 0 | 0.021 | 0.011 | 20.859 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 193 | VAL | 0 | 0.003 | -0.007 | 19.078 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 194 | ALA | 0 | 0.019 | -0.004 | 15.898 | -0.671 | -0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 195 | LEU | 0 | -0.045 | -0.007 | 12.759 | 0.685 | 0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 196 | LYS | 1 | 0.842 | 0.922 | 12.837 | 15.833 | 15.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 197 | ALA | 0 | 0.009 | -0.006 | 10.432 | 1.135 | 1.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 198 | ASP | -1 | -0.801 | -0.897 | 10.514 | -21.694 | -21.694 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 199 | ALA | 0 | 0.028 | -0.001 | 9.855 | 1.084 | 1.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 200 | ALA | 0 | -0.073 | -0.025 | 11.845 | 0.807 | 0.807 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 201 | ASN | 0 | -0.047 | -0.048 | 14.320 | 1.710 | 1.710 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 202 | LYS | 1 | 0.775 | 0.903 | 15.062 | 15.921 | 15.921 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 203 | GLN | 0 | -0.012 | -0.020 | 15.480 | 0.698 | 0.698 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 204 | CYS | 0 | -0.067 | -0.029 | 14.922 | -1.542 | -1.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 205 | ARG | 1 | 0.897 | 0.923 | 16.403 | 14.411 | 14.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 206 | LEU | 0 | -0.006 | 0.009 | 17.253 | -0.799 | -0.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 207 | PHE | 0 | 0.041 | 0.012 | 17.626 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 208 | ALA | 0 | 0.019 | -0.007 | 20.978 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 209 | ASN | 0 | -0.018 | -0.018 | 23.547 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 210 | GLY | 0 | 0.048 | 0.034 | 24.628 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 211 | GLU | -1 | -0.909 | -0.945 | 25.904 | -10.093 | -10.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 212 | LEU | 0 | -0.034 | -0.026 | 21.418 | -0.555 | -0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 213 | LEU | 0 | -0.080 | -0.033 | 23.025 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 214 | ALA | 0 | 0.023 | -0.003 | 23.080 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 215 | THR | 0 | 0.007 | 0.002 | 20.769 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 216 | LEU | 0 | -0.046 | -0.011 | 18.415 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 217 | ASP | -1 | -0.805 | -0.882 | 18.960 | -14.116 | -14.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 218 | LYS | 1 | 0.861 | 0.926 | 17.150 | 13.785 | 13.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 219 | ASP | -1 | -0.812 | -0.899 | 17.779 | -13.796 | -13.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 220 | ALA | 0 | -0.023 | -0.009 | 17.150 | -0.633 | -0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 221 | PHE | 0 | 0.034 | 0.026 | 9.874 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 222 | LYS | 1 | 0.839 | 0.925 | 11.688 | 18.596 | 18.596 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 223 | PHE | 0 | 0.021 | 0.007 | 6.771 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 224 | ILE | 0 | 0.015 | 0.009 | 6.483 | 1.139 | 1.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 225 | SER | 0 | -0.043 | -0.022 | 5.356 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 226 | ASP | -1 | -0.851 | -0.919 | 6.715 | -22.177 | -22.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 227 | ILE | 0 | -0.019 | -0.003 | 9.875 | 2.191 | 2.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 228 | THR | 0 | -0.023 | -0.011 | 11.049 | -1.015 | -1.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 229 | GLY | 0 | 0.002 | -0.002 | 12.300 | 0.999 | 0.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 230 | VAL | 0 | -0.029 | -0.003 | 9.060 | 1.099 | 1.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 231 | ASP | -1 | -0.774 | -0.849 | 11.171 | -16.948 | -16.948 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 232 | ASN | 0 | -0.069 | -0.034 | 13.258 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 233 | VAL | 0 | 0.031 | 0.008 | 9.710 | -0.985 | -0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 234 | THR | 0 | -0.057 | -0.038 | 12.722 | 0.871 | 0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 235 | LEU | 0 | 0.007 | 0.012 | 15.817 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 236 | GLY | 0 | 0.056 | -0.001 | 17.914 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 237 | GLY | 0 | 0.045 | 0.017 | 19.784 | 0.699 | 0.699 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 238 | THR | 0 | -0.018 | -0.001 | 17.652 | -1.091 | -1.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 239 | LYS | 1 | 0.883 | 0.959 | 17.819 | 15.489 | 15.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 240 | ARG | 1 | 0.854 | 0.916 | 19.195 | 11.679 | 11.679 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 241 | GLN | 0 | 0.012 | 0.013 | 21.845 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 242 | GLY | 0 | -0.008 | 0.003 | 22.559 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 243 | LYS | 1 | 0.881 | 0.944 | 23.960 | 10.284 | 10.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 244 | ILE | 0 | 0.021 | 0.019 | 21.809 | -0.588 | -0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 245 | ALA | 0 | -0.019 | -0.011 | 22.960 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 246 | TYR | 0 | -0.044 | -0.032 | 21.260 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 247 | PRO | 0 | 0.026 | 0.023 | 23.767 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 248 | PHE | 0 | 0.032 | 0.030 | 23.641 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 249 | GLY | 0 | 0.019 | 0.000 | 25.544 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 250 | GLY | 0 | 0.016 | 0.035 | 27.779 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 251 | THR | 0 | -0.033 | -0.038 | 25.153 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 252 | ILE | 0 | -0.019 | -0.015 | 18.911 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 253 | GLY | 0 | 0.028 | 0.011 | 22.228 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 254 | ASP | -1 | -0.833 | -0.914 | 17.650 | -15.908 | -15.908 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 255 | ILE | 0 | -0.014 | 0.001 | 13.582 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 256 | LYS | 1 | 0.832 | 0.915 | 12.360 | 16.126 | 16.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 257 | VAL | 0 | -0.007 | -0.003 | 6.912 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 258 | TYR | 0 | 0.032 | 0.008 | 7.089 | -1.247 | -1.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 261 | ALA | 0 | 0.001 | 0.009 | 7.446 | 1.036 | 1.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 262 | LEU | 0 | -0.029 | -0.006 | 10.763 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 263 | SER | 0 | -0.002 | -0.032 | 13.558 | 0.569 | 0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 264 | ASP | -1 | -0.782 | -0.884 | 17.172 | -14.996 | -14.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 265 | GLU | -1 | -0.854 | -0.940 | 19.568 | -13.548 | -13.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 266 | GLU | -1 | -0.829 | -0.891 | 15.861 | -17.193 | -17.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 267 | LEU | 0 | -0.023 | -0.004 | 14.970 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 268 | ILE | 0 | -0.001 | 0.023 | 19.120 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 269 | GLN | 0 | 0.002 | 0.002 | 21.851 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 270 | ALA | 0 | -0.039 | -0.027 | 19.141 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 271 | THR | 0 | -0.102 | -0.068 | 20.045 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 272 | GLY | 0 | 0.058 | 0.023 | 22.468 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 273 | VAL | 0 | -0.065 | -0.022 | 23.560 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 274 | THR | 0 | -0.078 | -0.018 | 26.132 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 275 | THR | 0 | 0.033 | 0.017 | 27.974 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 276 | TYR | 0 | -0.059 | -0.063 | 29.560 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 277 | GLY | 0 | 0.005 | 0.011 | 34.140 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 278 | GLU | -1 | -0.866 | -0.930 | 35.722 | -7.650 | -7.650 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 279 | ASN | 0 | -0.023 | -0.010 | 33.892 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 280 | ILE | 0 | 0.005 | 0.014 | 37.981 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 281 | PHE | 0 | -0.005 | -0.006 | 40.401 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 282 | TYR | 0 | -0.045 | -0.023 | 34.836 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 283 | ALA | 0 | -0.049 | -0.037 | 32.923 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 284 | GLY | 0 | -0.020 | -0.004 | 33.603 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 285 | ASP | -1 | -0.754 | -0.832 | 35.615 | -7.516 | -7.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 286 | VAL | 0 | 0.040 | 0.002 | 38.801 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 287 | THR | 0 | -0.081 | -0.065 | 41.249 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 288 | GLU | -1 | -0.925 | -0.949 | 40.014 | -7.437 | -7.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 289 | SER | 0 | -0.035 | -0.015 | 39.858 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 290 | ASN | 0 | 0.002 | -0.030 | 33.413 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 291 | TYR | 0 | -0.055 | -0.020 | 33.270 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 292 | PHE | 0 | 0.047 | 0.026 | 37.866 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 293 | ARG | 1 | 0.749 | 0.861 | 40.258 | 6.759 | 6.759 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 294 | ILE | 0 | -0.035 | -0.011 | 43.067 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 295 | PRO | 0 | 0.001 | 0.019 | 44.576 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 296 | SER | 0 | -0.023 | -0.028 | 46.587 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 297 | LEU | 0 | -0.001 | -0.030 | 47.414 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 298 | LEU | 0 | 0.010 | 0.004 | 50.421 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 299 | THR | 0 | -0.022 | -0.033 | 53.539 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 300 | LEU | 0 | -0.025 | 0.003 | 54.958 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 301 | SER | 0 | -0.070 | -0.076 | 58.044 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 302 | THR | 0 | -0.048 | -0.051 | 58.380 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 303 | GLY | 0 | -0.022 | -0.003 | 56.768 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 304 | THR | 0 | -0.064 | -0.045 | 53.200 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 305 | VAL | 0 | -0.032 | -0.007 | 49.780 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 306 | ILE | 0 | 0.014 | 0.007 | 50.781 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 307 | SER | 0 | -0.015 | -0.021 | 47.345 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 308 | ALA | 0 | 0.022 | -0.006 | 48.463 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 309 | ALA | 0 | 0.007 | 0.008 | 44.383 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 310 | ASP | -1 | -0.711 | -0.842 | 45.241 | -6.368 | -6.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 311 | ALA | 0 | 0.009 | 0.005 | 43.046 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 312 | ARG | 1 | 0.707 | 0.816 | 41.587 | 6.893 | 6.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 313 | TYR | 0 | 0.017 | -0.018 | 40.517 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 314 | GLY | 0 | -0.004 | -0.012 | 39.739 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 315 | GLY | 0 | -0.029 | -0.021 | 37.846 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 316 | THR | 0 | 0.029 | -0.006 | 37.605 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 317 | HIS | 0 | -0.104 | -0.039 | 40.160 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 318 | ASP | -1 | -0.771 | -0.867 | 43.190 | -6.580 | -6.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 319 | SER | 0 | 0.031 | 0.008 | 46.786 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 320 | LYS | 1 | 0.805 | 0.947 | 49.373 | 6.119 | 6.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 321 | SER | 0 | 0.052 | 0.015 | 43.945 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 322 | LYS | 1 | 0.853 | 0.947 | 44.780 | 6.591 | 6.591 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 323 | ILE | 0 | -0.043 | -0.022 | 44.920 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 324 | ASN | 0 | 0.016 | 0.001 | 46.677 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 325 | ILE | 0 | 0.009 | 0.011 | 47.389 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 326 | ALA | 0 | -0.006 | 0.001 | 45.497 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 327 | PHE | 0 | 0.000 | -0.009 | 47.449 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 328 | ALA | 0 | 0.050 | 0.027 | 45.990 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 329 | LYS | 1 | 0.884 | 0.946 | 47.953 | 5.830 | 5.830 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 330 | SER | 0 | 0.039 | 0.036 | 47.180 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 331 | THR | 0 | 0.010 | -0.006 | 49.031 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 332 | ASP | -1 | -0.809 | -0.869 | 46.489 | -6.553 | -6.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 333 | GLY | 0 | 0.019 | 0.014 | 48.832 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 334 | GLY | 0 | 0.012 | 0.005 | 46.689 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 335 | ASN | 0 | -0.084 | -0.044 | 43.621 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 336 | THR | 0 | -0.032 | -0.036 | 42.115 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 337 | TRP | 0 | -0.015 | -0.027 | 42.455 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 338 | SER | 0 | -0.060 | -0.027 | 44.274 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 339 | GLU | -1 | -0.921 | -0.960 | 43.447 | -7.056 | -7.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 340 | PRO | 0 | -0.040 | -0.002 | 42.383 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 341 | THR | 0 | 0.013 | 0.002 | 45.617 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 342 | LEU | 0 | 0.008 | -0.015 | 45.866 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 343 | PRO | 0 | -0.006 | 0.011 | 49.762 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 344 | LEU | 0 | 0.015 | 0.021 | 52.243 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 345 | LYS | 1 | 0.886 | 0.934 | 50.207 | 5.909 | 5.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 346 | PHE | 0 | 0.025 | 0.012 | 50.938 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 347 | ASP | -1 | -0.829 | -0.892 | 50.359 | -6.184 | -6.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 348 | ASP | -1 | -0.814 | -0.903 | 51.339 | -6.022 | -6.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 349 | TYR | 0 | -0.082 | -0.067 | 46.627 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 350 | ILE | 0 | 0.025 | 0.020 | 43.532 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 351 | ALA | 0 | 0.005 | 0.016 | 44.213 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 352 | LYS | 1 | 0.852 | 0.906 | 39.259 | 7.669 | 7.669 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 353 | ASN | 0 | 0.045 | 0.024 | 35.198 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 354 | ILE | 0 | -0.026 | -0.014 | 35.275 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 355 | ASP | -1 | -0.836 | -0.888 | 29.806 | -9.686 | -9.686 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 356 | TRP | 0 | -0.013 | -0.016 | 33.088 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 357 | PRO | 0 | -0.023 | 0.008 | 32.290 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 358 | ARG | 1 | 0.917 | 0.924 | 28.913 | 9.790 | 9.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 359 | ASP | -1 | -0.797 | -0.880 | 31.004 | -8.893 | -8.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 360 | SER | 0 | -0.011 | -0.029 | 32.176 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 361 | VAL | 0 | -0.068 | -0.034 | 34.811 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 362 | GLY | 0 | 0.060 | 0.010 | 35.563 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 363 | LYS | 1 | 0.860 | 0.959 | 34.749 | 8.528 | 8.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 364 | ASN | 0 | -0.041 | -0.031 | 36.886 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 365 | VAL | 0 | -0.033 | 0.012 | 39.806 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 366 | GLN | 0 | -0.004 | 0.007 | 41.015 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 367 | ILE | 0 | -0.011 | 0.011 | 42.720 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 368 | GLN | 0 | -0.059 | -0.061 | 45.698 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 369 | GLY | 0 | -0.022 | -0.022 | 48.982 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 370 | SER | 0 | 0.021 | -0.001 | 48.600 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 371 | ALA | 0 | -0.026 | -0.003 | 50.694 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 372 | SER | 0 | -0.050 | -0.022 | 50.074 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 373 | TYR | 0 | 0.013 | 0.009 | 51.000 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 374 | ILE | 0 | -0.051 | -0.037 | 48.809 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 375 | ASP | -1 | -0.843 | -0.931 | 50.044 | -5.961 | -5.961 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 376 | PRO | 0 | -0.022 | 0.001 | 49.149 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 377 | VAL | 0 | -0.008 | -0.006 | 52.347 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 378 | LEU | 0 | 0.013 | 0.017 | 51.975 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 379 | LEU | 0 | -0.002 | -0.012 | 55.880 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 380 | GLU | -1 | -0.721 | -0.823 | 59.274 | -5.139 | -5.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 381 | ASP | -1 | -0.717 | -0.830 | 61.327 | -4.558 | -4.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 382 | LYS | 1 | 0.877 | 0.911 | 60.667 | 5.061 | 5.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 383 | LEU | 0 | -0.042 | -0.014 | 65.621 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 384 | THR | 0 | -0.019 | -0.019 | 67.609 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 385 | LYS | 1 | 0.799 | 0.890 | 63.711 | 4.790 | 4.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 386 | ARG | 1 | 0.834 | 0.927 | 62.911 | 4.618 | 4.618 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 387 | ILE | 0 | -0.033 | -0.011 | 56.593 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 388 | PHE | 0 | -0.001 | -0.019 | 59.537 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 389 | LEU | 0 | -0.012 | 0.000 | 52.923 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 390 | PHE | 0 | 0.005 | -0.013 | 56.900 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 391 | ALA | 0 | 0.012 | 0.010 | 53.827 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 392 | ASP | -1 | -0.797 | -0.900 | 54.788 | -5.400 | -5.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 393 | LEU | 0 | -0.035 | -0.021 | 55.026 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 394 | MET | 0 | -0.020 | -0.003 | 53.294 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 395 | PRO | 0 | 0.000 | -0.007 | 55.408 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 396 | ALA | 0 | -0.028 | -0.024 | 54.211 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 397 | GLY | 0 | -0.032 | -0.007 | 52.231 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 398 | ILE | 0 | -0.102 | -0.038 | 53.317 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 399 | GLY | 0 | 0.139 | 0.058 | 52.455 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 400 | SER | 0 | 0.051 | 0.010 | 53.412 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 401 | SER | 0 | 0.010 | 0.015 | 51.809 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 402 | ASN | 0 | -0.050 | -0.048 | 54.238 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 403 | ALA | 0 | 0.019 | 0.041 | 56.455 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 404 | SER | 0 | -0.014 | -0.026 | 58.949 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 405 | VAL | 0 | -0.038 | -0.008 | 62.562 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 406 | GLY | 0 | -0.001 | 0.000 | 65.508 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 407 | SER | 0 | 0.049 | 0.031 | 66.289 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 408 | GLY | 0 | 0.016 | 0.009 | 66.052 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 409 | PHE | 0 | -0.004 | -0.007 | 66.570 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 410 | LYS | 1 | 0.730 | 0.839 | 70.329 | 4.236 | 4.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 411 | GLU | -1 | -0.838 | -0.901 | 73.935 | -4.039 | -4.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 412 | VAL | 0 | -0.018 | -0.022 | 77.150 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 413 | ASN | 0 | -0.034 | -0.022 | 79.715 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 414 | GLY | 0 | 0.027 | 0.027 | 81.820 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 415 | LYS | 1 | 0.898 | 0.956 | 75.125 | 4.151 | 4.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 416 | LYS | 1 | 0.895 | 0.937 | 73.039 | 4.180 | 4.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 417 | TYR | 0 | -0.057 | -0.049 | 72.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 418 | LEU | 0 | 0.066 | 0.047 | 65.918 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 419 | LYS | 1 | 0.874 | 0.952 | 69.151 | 4.541 | 4.541 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 420 | LEU | 0 | 0.013 | -0.004 | 66.435 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 421 | ARG | 1 | 0.801 | 0.895 | 64.904 | 4.812 | 4.812 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 422 | TRP | 0 | 0.033 | 0.019 | 67.347 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 423 | HIS | 0 | -0.044 | -0.028 | 64.664 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 424 | LYS | 1 | 0.902 | 0.955 | 66.303 | 4.428 | 4.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 425 | ASP | -1 | -0.781 | -0.874 | 68.904 | -4.329 | -4.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 426 | ALA | 0 | 0.024 | 0.008 | 69.211 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 427 | GLY | 0 | -0.004 | -0.003 | 66.709 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 428 | ARG | 1 | 0.943 | 0.964 | 66.702 | 4.305 | 4.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 429 | ALA | 0 | -0.012 | 0.008 | 69.208 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 430 | TYR | 0 | 0.017 | -0.004 | 65.394 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 431 | ASP | -1 | -0.880 | -0.932 | 71.433 | -4.206 | -4.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 432 | TYR | 0 | -0.020 | -0.008 | 71.976 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 433 | THR | 0 | 0.001 | -0.009 | 72.374 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 434 | ILE | 0 | -0.005 | 0.015 | 67.228 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 435 | ARG | 1 | 0.813 | 0.882 | 71.795 | 4.056 | 4.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 436 | GLU | -1 | -0.742 | -0.862 | 73.593 | -4.159 | -4.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 437 | LYS | 1 | 0.888 | 0.929 | 73.345 | 4.297 | 4.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 438 | GLY | 0 | 0.085 | 0.061 | 70.779 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 439 | VAL | 0 | -0.006 | -0.001 | 71.391 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 440 | ILE | 0 | -0.001 | 0.006 | 68.900 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 441 | TYR | 0 | 0.001 | -0.010 | 73.480 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 442 | ASN | 0 | 0.008 | 0.007 | 75.477 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 443 | ASP | -1 | -0.754 | -0.859 | 75.995 | -4.113 | -4.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 444 | ALA | 0 | -0.037 | -0.008 | 79.051 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 445 | THR | 0 | -0.016 | -0.019 | 81.208 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 446 | ASN | 0 | 0.021 | 0.015 | 81.429 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 447 | GLN | 0 | -0.003 | 0.017 | 81.538 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 448 | PRO | 0 | 0.017 | 0.021 | 78.150 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 449 | THR | 0 | -0.021 | -0.021 | 73.830 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 450 | GLU | -1 | -0.901 | -0.951 | 74.444 | -4.219 | -4.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 451 | PHE | 0 | -0.029 | -0.019 | 68.637 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 452 | ARG | 1 | 0.871 | 0.929 | 68.729 | 4.572 | 4.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 453 | VAL | 0 | -0.007 | 0.002 | 66.244 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 454 | ASP | -1 | -0.782 | -0.876 | 63.540 | -4.918 | -4.918 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 455 | GLY | 0 | 0.043 | 0.019 | 65.172 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 456 | GLU | -1 | -0.787 | -0.847 | 58.784 | -5.330 | -5.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 457 | TYR | 0 | -0.032 | -0.017 | 60.836 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 458 | ASN | 0 | -0.001 | -0.011 | 59.698 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 459 | LEU | 0 | -0.048 | -0.031 | 62.706 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 460 | TYR | 0 | -0.061 | -0.049 | 64.236 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 461 | GLN | 0 | -0.042 | -0.022 | 67.877 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 462 | HIS | 0 | -0.013 | -0.021 | 70.590 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 463 | ASP | -1 | -0.884 | -0.935 | 71.025 | -4.335 | -4.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 464 | THR | 0 | -0.031 | 0.005 | 66.761 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 465 | ASN | 0 | -0.007 | -0.007 | 62.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 466 | LEU | 0 | 0.014 | 0.001 | 63.434 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 467 | THR | 0 | -0.002 | 0.008 | 58.373 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 468 | CYS | 0 | -0.083 | -0.040 | 56.236 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 469 | LYS | 1 | 0.792 | 0.881 | 53.107 | 5.665 | 5.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 470 | GLN | 0 | 0.000 | 0.005 | 48.164 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 471 | TYR | 0 | -0.054 | -0.049 | 48.430 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 472 | ASP | -1 | -0.740 | -0.847 | 42.217 | -7.430 | -7.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 473 | TYR | 0 | -0.061 | -0.060 | 41.260 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 474 | ASN | 0 | -0.021 | -0.016 | 38.576 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 475 | PHE | 0 | 0.047 | 0.023 | 35.929 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 476 | SER | 0 | -0.019 | 0.001 | 36.922 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 477 | GLY | 0 | 0.021 | 0.008 | 34.451 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 478 | ASN | 0 | 0.024 | -0.010 | 34.870 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 479 | ASN | 0 | -0.061 | -0.022 | 37.161 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 480 | LEU | 0 | 0.028 | 0.021 | 39.859 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 481 | ILE | 0 | -0.056 | -0.022 | 41.314 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 482 | GLU | -1 | -0.717 | -0.828 | 43.614 | -6.608 | -6.608 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 483 | SER | 0 | -0.024 | -0.008 | 45.688 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 484 | LYS | 1 | 0.869 | 0.926 | 47.771 | 5.739 | 5.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 485 | THR | 0 | 0.001 | -0.002 | 46.584 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 486 | ASP | -1 | -0.905 | -0.966 | 49.245 | -6.213 | -6.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 487 | VAL | 0 | 0.063 | 0.043 | 48.490 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 488 | ASP | -1 | -0.868 | -0.917 | 51.675 | -5.538 | -5.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 489 | VAL | 0 | 0.008 | 0.004 | 52.335 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 490 | ASN | 0 | 0.022 | 0.006 | 55.480 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 491 | MET | 0 | -0.023 | 0.027 | 58.075 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 492 | ASN | 0 | 0.037 | 0.003 | 58.493 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 493 | ILE | 0 | 0.002 | 0.012 | 60.417 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 494 | PHE | 0 | 0.029 | 0.021 | 57.749 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 495 | TYR | 0 | 0.067 | 0.038 | 55.231 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 496 | LYS | 1 | 0.861 | 0.931 | 51.250 | 6.147 | 6.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 497 | ASN | 0 | -0.049 | -0.020 | 56.043 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 498 | SER | 0 | 0.091 | 0.035 | 58.861 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 499 | VAL | 0 | -0.040 | -0.043 | 61.580 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 500 | PHE | 0 | 0.010 | -0.001 | 64.951 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 501 | LYS | 1 | 0.842 | 0.939 | 59.364 | 5.156 | 5.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 502 | ALA | 0 | 0.101 | 0.048 | 62.395 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 503 | PHE | 0 | -0.022 | -0.011 | 63.279 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 504 | PRO | 0 | 0.020 | 0.034 | 60.477 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 505 | THR | 0 | -0.034 | -0.030 | 61.009 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 506 | ASN | 0 | 0.034 | -0.009 | 57.882 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 507 | TYR | 0 | -0.046 | -0.038 | 59.451 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 508 | LEU | 0 | 0.030 | 0.023 | 59.344 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 509 | ALA | 0 | -0.028 | -0.026 | 58.509 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 510 | MET | 0 | -0.040 | -0.006 | 58.962 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 511 | ARG | 1 | 0.746 | 0.832 | 56.805 | 5.405 | 5.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 512 | TYR | 0 | 0.038 | 0.012 | 59.955 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 513 | SER | 0 | 0.004 | -0.007 | 58.996 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 514 | ASP | -1 | -0.763 | -0.859 | 60.988 | -4.772 | -4.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 515 | ASP | -1 | -0.821 | -0.879 | 58.990 | -5.253 | -5.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 516 | GLU | -1 | -0.817 | -0.891 | 56.085 | -5.583 | -5.583 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 517 | GLY | 0 | 0.037 | 0.013 | 55.205 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 518 | ALA | 0 | -0.084 | -0.025 | 54.621 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 519 | SER | 0 | -0.103 | -0.082 | 56.081 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 520 | TRP | 0 | -0.008 | -0.014 | 54.559 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 521 | SER | 0 | -0.019 | -0.001 | 59.633 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 522 | ASP | -1 | -0.873 | -0.935 | 61.132 | -4.908 | -4.908 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 523 | LEU | 0 | -0.042 | -0.009 | 58.635 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 524 | ASP | -1 | -0.857 | -0.928 | 61.976 | -4.665 | -4.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 525 | ILE | 0 | -0.051 | -0.033 | 62.284 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 526 | VAL | 0 | 0.096 | 0.045 | 63.409 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 527 | SER | 0 | -0.012 | 0.006 | 63.784 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 528 | SER | 0 | -0.059 | -0.034 | 65.845 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 529 | PHE | 0 | 0.022 | 0.002 | 65.499 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 530 | LYS | 1 | 0.775 | 0.908 | 62.748 | 4.918 | 4.918 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 531 | PRO | 0 | 0.069 | 0.032 | 67.170 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 532 | GLU | -1 | -0.959 | -0.969 | 68.508 | -4.344 | -4.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 533 | VAL | 0 | -0.008 | -0.006 | 69.263 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 534 | SER | 0 | 0.005 | -0.020 | 64.844 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 535 | LYS | 1 | 0.763 | 0.873 | 58.341 | 5.284 | 5.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 536 | PHE | 0 | -0.020 | -0.013 | 57.805 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 537 | LEU | 0 | -0.017 | -0.022 | 60.936 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 538 | VAL | 0 | -0.016 | 0.017 | 56.438 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 539 | VAL | 0 | 0.039 | 0.016 | 55.278 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 540 | GLY | 0 | -0.033 | -0.019 | 55.803 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 541 | PRO | 0 | -0.022 | -0.004 | 51.050 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 542 | GLY | 0 | 0.065 | 0.030 | 51.812 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 543 | ILE | 0 | -0.049 | -0.009 | 52.820 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 544 | GLY | 0 | 0.031 | 0.016 | 55.925 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 545 | LYS | 1 | 0.837 | 0.926 | 59.630 | 5.013 | 5.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 546 | GLN | 0 | -0.034 | -0.017 | 62.425 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 547 | ILE | 0 | -0.039 | 0.000 | 65.327 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 548 | SER | 0 | -0.093 | -0.075 | 66.780 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 549 | THR | 0 | -0.030 | -0.024 | 68.727 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 550 | GLY | 0 | 0.052 | 0.023 | 72.078 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 551 | GLU | -1 | -0.960 | -0.992 | 75.130 | -3.941 | -3.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 552 | ASN | 0 | -0.008 | 0.005 | 72.967 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 553 | ALA | 0 | -0.003 | 0.010 | 71.593 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 554 | GLY | 0 | -0.043 | -0.028 | 69.935 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 555 | ARG | 1 | 0.738 | 0.840 | 69.229 | 4.258 | 4.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 556 | LEU | 0 | -0.038 | -0.016 | 64.927 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 557 | LEU | 0 | -0.003 | -0.010 | 64.763 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 558 | VAL | 0 | 0.019 | 0.005 | 59.586 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 559 | PRO | 0 | 0.002 | 0.013 | 58.375 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 560 | LEU | 0 | -0.012 | -0.017 | 59.747 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 561 | TYR | 0 | 0.022 | 0.013 | 53.868 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 562 | SER | 0 | -0.022 | -0.021 | 60.516 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 563 | LYS | 1 | 0.799 | 0.908 | 60.379 | 4.981 | 4.981 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 564 | SER | 0 | -0.027 | -0.042 | 62.290 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 565 | SER | 0 | -0.050 | -0.048 | 66.122 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 566 | ALA | 0 | 0.018 | 0.029 | 66.817 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 567 | GLU | -1 | -0.853 | -0.896 | 61.156 | -5.171 | -5.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 568 | LEU | 0 | 0.020 | 0.000 | 61.027 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 569 | GLY | 0 | 0.016 | -0.001 | 63.099 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 570 | PHE | 0 | -0.003 | 0.001 | 63.037 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 571 | MET | 0 | -0.029 | 0.003 | 61.705 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 572 | TYR | 0 | 0.007 | -0.001 | 65.740 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 573 | SER | 0 | 0.019 | 0.019 | 68.346 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 574 | ASP | -1 | -0.740 | -0.854 | 70.075 | -4.305 | -4.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 575 | ASP | -1 | -0.889 | -0.931 | 72.200 | -4.308 | -4.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 576 | HIS | 1 | 0.806 | 0.872 | 69.490 | 4.386 | 4.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 577 | GLY | 0 | 0.059 | 0.019 | 67.022 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 578 | ASP | -1 | -0.956 | -0.949 | 67.668 | -4.489 | -4.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 579 | ASN | 0 | -0.115 | -0.076 | 70.343 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 580 | TRP | 0 | -0.009 | -0.018 | 64.750 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 581 | THR | 0 | -0.036 | -0.007 | 69.732 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 582 | TYR | 0 | -0.018 | -0.019 | 65.563 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 583 | VAL | 0 | 0.013 | 0.010 | 68.445 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 584 | GLU | -1 | -0.891 | -0.910 | 67.827 | -4.524 | -4.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 585 | ALA | 0 | -0.003 | -0.016 | 66.095 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 586 | ASP | -1 | -0.755 | -0.859 | 64.682 | -4.820 | -4.820 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 587 | ASN | 0 | 0.005 | 0.000 | 68.239 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 588 | LEU | 0 | -0.003 | 0.004 | 63.738 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 589 | THR | 0 | 0.029 | 0.015 | 65.333 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 590 | GLY | 0 | -0.014 | 0.006 | 62.210 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 591 | GLY | 0 | 0.004 | -0.016 | 60.546 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 592 | ALA | 0 | -0.052 | -0.024 | 56.910 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 593 | THR | 0 | -0.023 | -0.008 | 52.178 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 594 | ALA | 0 | 0.014 | 0.018 | 54.935 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 595 | GLU | -1 | -0.780 | -0.863 | 51.413 | -5.990 | -5.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 596 | ALA | 0 | 0.010 | 0.003 | 55.536 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 597 | GLN | 0 | 0.010 | 0.010 | 54.239 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 598 | ILE | 0 | 0.026 | 0.011 | 57.654 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 599 | VAL | 0 | -0.030 | -0.010 | 59.423 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 600 | GLU | -1 | -0.763 | -0.856 | 61.830 | -4.591 | -4.591 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 601 | MET | 0 | -0.021 | -0.001 | 64.090 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 602 | PRO | 0 | -0.015 | -0.029 | 67.350 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 603 | ASP | -1 | -0.831 | -0.896 | 69.589 | -4.296 | -4.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 604 | GLY | 0 | 0.034 | 0.025 | 70.184 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 605 | SER | 0 | -0.102 | -0.056 | 70.715 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 606 | LEU | 0 | -0.008 | -0.013 | 65.721 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 607 | LYS | 1 | 0.795 | 0.890 | 63.773 | 4.730 | 4.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 608 | THR | 0 | -0.002 | 0.001 | 60.911 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 609 | TYR | 0 | -0.051 | -0.047 | 57.620 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 610 | LEU | 0 | -0.007 | -0.012 | 57.131 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 611 | ARG | 1 | 0.803 | 0.898 | 50.063 | 6.007 | 6.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 612 | THR | 0 | -0.002 | -0.022 | 54.913 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 613 | GLY | 0 | 0.014 | 0.012 | 54.494 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 614 | SER | 0 | -0.039 | -0.032 | 55.482 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 615 | ASN | 0 | -0.059 | -0.031 | 50.555 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 616 | CYS | 0 | -0.069 | -0.028 | 53.977 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 617 | ILE | 0 | 0.078 | 0.059 | 52.173 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 618 | ALA | 0 | -0.014 | -0.010 | 56.049 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 619 | GLU | -1 | -0.787 | -0.869 | 59.749 | -4.921 | -4.921 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 620 | VAL | 0 | -0.010 | 0.005 | 62.340 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 621 | THR | 0 | 0.026 | 0.007 | 65.399 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 622 | SER | 0 | 0.009 | 0.022 | 68.093 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 623 | ILE | 0 | -0.006 | -0.025 | 70.508 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 624 | ASP | -1 | -0.779 | -0.853 | 73.452 | -4.217 | -4.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 625 | GLY | 0 | 0.015 | 0.006 | 71.102 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 626 | GLY | 0 | 0.020 | -0.003 | 69.224 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 627 | GLU | -1 | -0.880 | -0.908 | 69.984 | -4.190 | -4.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 628 | THR | 0 | -0.105 | -0.090 | 72.652 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 629 | TRP | 0 | 0.003 | -0.014 | 65.899 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 630 | SER | 0 | -0.030 | -0.007 | 68.285 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 631 | ASP | -1 | -0.897 | -0.944 | 68.521 | -4.452 | -4.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 632 | ARG | 1 | 0.758 | 0.851 | 61.110 | 4.945 | 4.945 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 633 | VAL | 0 | 0.028 | 0.020 | 63.981 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 634 | PRO | 0 | -0.036 | -0.029 | 60.065 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 635 | LEU | 0 | 0.011 | 0.010 | 56.019 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 636 | GLN | 0 | -0.020 | -0.021 | 57.392 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 637 | GLY | 0 | 0.005 | 0.002 | 55.738 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 638 | ILE | 0 | -0.022 | 0.007 | 51.996 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 639 | SER | 0 | -0.029 | -0.016 | 49.918 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 640 | THR | 0 | 0.070 | 0.047 | 49.030 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 641 | THR | 0 | -0.030 | -0.007 | 45.608 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 642 | SER | 0 | -0.013 | -0.006 | 48.932 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 643 | TYR | 0 | 0.011 | 0.010 | 43.672 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 644 | GLY | 0 | 0.070 | 0.051 | 50.039 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 645 | THR | 0 | -0.026 | -0.027 | 45.848 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 646 | GLN | 0 | 0.021 | 0.025 | 48.850 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 647 | LEU | 0 | -0.006 | 0.007 | 49.214 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 648 | SER | 0 | 0.046 | 0.036 | 50.285 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 649 | VAL | 0 | -0.027 | -0.038 | 52.097 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 650 | ILE | 0 | -0.017 | 0.020 | 53.568 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 651 | ASN | 0 | -0.001 | -0.033 | 56.696 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 652 | TYR | 0 | -0.035 | -0.033 | 54.752 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 653 | SER | 0 | -0.050 | -0.062 | 58.604 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 654 | GLN | 0 | -0.048 | -0.018 | 59.615 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 655 | PRO | 0 | -0.029 | -0.013 | 60.747 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 656 | ILE | 0 | 0.030 | 0.010 | 56.301 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 657 | ASP | -1 | -0.808 | -0.878 | 59.571 | -5.193 | -5.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 658 | GLY | 0 | -0.033 | -0.016 | 62.030 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 659 | LYS | 1 | 0.804 | 0.902 | 63.639 | 4.882 | 4.882 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 660 | PRO | 0 | 0.039 | 0.016 | 63.260 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 661 | ALA | 0 | 0.016 | 0.015 | 58.796 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 662 | ILE | 0 | -0.016 | 0.000 | 58.553 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 663 | ILE | 0 | -0.003 | 0.003 | 52.175 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 664 | LEU | 0 | -0.003 | 0.009 | 51.734 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 665 | SER | 0 | 0.012 | 0.010 | 47.586 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 666 | SER | 0 | 0.017 | -0.016 | 48.032 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 667 | PRO | 0 | -0.014 | 0.021 | 43.816 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 668 | ASN | 0 | -0.041 | -0.016 | 45.193 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 669 | ALA | 0 | -0.017 | 0.000 | 43.086 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 670 | THR | 0 | 0.018 | -0.003 | 45.206 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 671 | ASN | 0 | -0.031 | -0.045 | 43.719 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 672 | GLY | 0 | 0.002 | 0.020 | 41.120 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 673 | ARG | 1 | 0.831 | 0.914 | 41.547 | 6.832 | 6.832 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 674 | LYS | 1 | 0.923 | 0.963 | 38.369 | 7.469 | 7.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 675 | ASN | 0 | -0.021 | -0.013 | 40.140 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 676 | GLY | 0 | 0.044 | 0.019 | 41.416 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 677 | LYS | 1 | 0.870 | 0.926 | 43.292 | 6.403 | 6.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 678 | ILE | 0 | 0.032 | 0.025 | 45.778 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 679 | TRP | 0 | 0.002 | -0.018 | 48.526 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 680 | ILE | 0 | 0.009 | 0.004 | 52.040 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 681 | GLY | 0 | 0.018 | -0.002 | 55.077 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 682 | LEU | 0 | -0.012 | -0.014 | 58.510 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 683 | VAL | 0 | 0.004 | -0.002 | 61.491 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 684 | ASN | 0 | -0.012 | 0.002 | 64.666 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 685 | ASP | -1 | -0.806 | -0.907 | 67.699 | -4.255 | -4.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 686 | THR | 0 | -0.054 | -0.043 | 70.476 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 687 | GLY | 0 | -0.030 | -0.004 | 72.825 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 688 | ASN | 0 | -0.077 | -0.037 | 74.777 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 689 | THR | 0 | -0.024 | -0.030 | 76.558 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 690 | GLY | 0 | 0.036 | 0.023 | 76.044 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 691 | ILE | 0 | 0.046 | 0.007 | 70.520 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 692 | ASP | -1 | -0.891 | -0.946 | 71.032 | -4.356 | -4.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 693 | LYS | 1 | 0.814 | 0.946 | 72.447 | 4.210 | 4.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 694 | TYR | 0 | 0.019 | 0.002 | 67.835 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 695 | SER | 0 | 0.004 | 0.002 | 66.343 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 696 | VAL | 0 | 0.004 | 0.008 | 60.421 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 697 | GLU | -1 | -0.878 | -0.943 | 60.836 | -5.014 | -5.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 698 | TRP | 0 | 0.010 | 0.000 | 55.672 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 699 | LYS | 1 | 0.812 | 0.907 | 56.457 | 5.141 | 5.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 700 | TYR | 0 | -0.011 | -0.023 | 52.731 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 701 | SER | 0 | -0.048 | -0.023 | 49.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 702 | TYR | 0 | 0.035 | 0.026 | 43.207 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 703 | ALA | 0 | -0.022 | -0.014 | 42.297 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 704 | VAL | 0 | 0.039 | 0.023 | 39.596 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 705 | ASP | -1 | -0.722 | -0.860 | 35.232 | -8.762 | -8.762 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 706 | THR | 0 | -0.016 | -0.009 | 34.601 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 707 | PRO | 0 | -0.020 | -0.021 | 37.283 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 708 | GLN | 0 | -0.005 | -0.005 | 35.052 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 709 | MET | 0 | -0.056 | 0.020 | 31.168 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 710 | GLY | 0 | -0.004 | -0.002 | 35.723 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 711 | TYR | 0 | -0.035 | -0.034 | 37.633 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 712 | SER | 0 | -0.025 | -0.051 | 40.829 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 713 | TYR | 0 | -0.064 | -0.058 | 43.281 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 714 | SER | 0 | -0.029 | -0.014 | 44.474 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 715 | CYS | 0 | 0.017 | 0.034 | 46.672 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 716 | LEU | 0 | -0.010 | -0.005 | 47.969 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 717 | ALA | 0 | 0.019 | 0.009 | 50.321 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 718 | GLU | -1 | -0.775 | -0.839 | 51.370 | -5.462 | -5.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 719 | LEU | 0 | -0.037 | 0.003 | 48.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 720 | PRO | 0 | 0.013 | -0.004 | 52.245 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 721 | ASP | -1 | -0.849 | -0.900 | 50.339 | -6.050 | -6.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 722 | GLY | 0 | 0.015 | 0.007 | 53.191 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 723 | GLN | 0 | -0.103 | -0.057 | 46.675 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 724 | VAL | 0 | 0.004 | 0.002 | 49.339 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 725 | GLY | 0 | 0.012 | 0.006 | 46.788 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 726 | LEU | 0 | -0.035 | -0.022 | 43.069 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 727 | LEU | 0 | 0.033 | 0.024 | 42.419 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 728 | TYR | 0 | -0.035 | -0.066 | 38.558 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 729 | GLU | -1 | -0.698 | -0.820 | 39.964 | -7.197 | -7.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 730 | LYS | 1 | 0.821 | 0.918 | 34.448 | 8.355 | 8.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 731 | TYR | 0 | 0.041 | -0.006 | 35.676 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 732 | ASP | -1 | -0.760 | -0.863 | 37.099 | -7.107 | -7.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 733 | SER | 0 | -0.036 | -0.045 | 38.953 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 734 | TRP | 0 | -0.055 | -0.026 | 41.116 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 735 | SER | 0 | -0.018 | 0.002 | 36.426 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 736 | ARG | 1 | 0.956 | 0.962 | 38.348 | 7.165 | 7.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 737 | ASN | 0 | -0.030 | -0.019 | 33.303 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 738 | GLU | -1 | -0.848 | -0.916 | 33.156 | -8.831 | -8.831 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 739 | LEU | 0 | -0.014 | 0.010 | 34.854 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 740 | HIS | 0 | -0.019 | -0.015 | 34.294 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 741 | LEU | 0 | -0.020 | -0.002 | 30.887 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 742 | LYS | 1 | 0.906 | 0.939 | 29.603 | 9.969 | 9.969 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 743 | ASP | -1 | -0.724 | -0.866 | 32.069 | -8.978 | -8.978 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 744 | ILE | 0 | -0.045 | -0.013 | 33.655 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 745 | LEU | 0 | -0.027 | -0.010 | 35.588 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 746 | LYS | 1 | 0.871 | 0.941 | 33.478 | 8.618 | 8.618 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 747 | PHE | 0 | 0.006 | 0.009 | 38.714 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 748 | GLU | -1 | -0.779 | -0.840 | 38.320 | -7.984 | -7.984 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 749 | LYS | 1 | 0.848 | 0.916 | 41.710 | 6.974 | 6.974 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 750 | TYR | 0 | -0.027 | -0.034 | 40.869 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 751 | SER | 0 | 0.020 | 0.002 | 46.412 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 752 | ILE | 0 | 0.050 | 0.010 | 49.369 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 753 | SER | 0 | -0.022 | -0.017 | 49.827 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 754 | GLU | -1 | -0.744 | -0.840 | 44.027 | -6.857 | -6.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 755 | LEU | 0 | -0.027 | -0.022 | 47.186 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 756 | THR | 0 | -0.066 | -0.052 | 49.577 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 757 | GLY | 0 | -0.049 | -0.024 | 48.734 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 758 | GLN | 0 | -0.116 | -0.048 | 49.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 759 | ALA | -1 | -0.851 | -0.893 | 46.015 | -6.399 | -6.399 | 0.000 | 0.000 | 0.000 | 0.000 |