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: 3JYQL
Calculation Name: 3O44-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3O44
Chain ID: A
UniProt ID: P09545
Base Structure: X-ray
Registration Date: 2023-09-24
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 | OptHSide |
| 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 | 578 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -10841461.415733 |
|---|---|
| FMO2-HF: Nuclear repulsion | 10616430.591201 |
| FMO2-HF: Total energy | -225030.824532 |
| FMO2-MP2: Total energy | -225695.065968 |
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:136:THR)
Summations of interaction energy for
fragment #1(A:136:THR)
| 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. |
| -14.784 | -8.97 | 6.247 | -5.032 | -7.029 | -0.006 |
Interaction energy analysis for fragmet #1(A:136:THR)
| 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 | 138 | THR | 0 | 0.012 | 0.025 | 3.298 | -3.759 | -0.823 | 0.032 | -1.458 | -1.511 | 0.008 |
| 4 | A | 139 | LEU | 0 | 0.014 | 0.018 | 4.816 | -0.520 | -0.421 | -0.001 | -0.005 | -0.093 | 0.000 |
| 5 | A | 140 | PRO | 0 | -0.071 | -0.004 | 6.157 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 141 | HIS | 1 | 0.850 | 0.884 | 7.319 | -1.827 | -1.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 142 | VAL | 0 | 0.041 | 0.039 | 10.624 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 143 | ALA | 0 | -0.006 | -0.015 | 13.333 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 144 | PHE | 0 | 0.020 | 0.016 | 15.116 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 145 | TYR | 0 | 0.017 | 0.006 | 18.327 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 146 | ILE | 0 | 0.000 | 0.006 | 21.555 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 147 | SER | 0 | -0.003 | -0.004 | 25.021 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 148 | VAL | 0 | -0.023 | -0.014 | 27.819 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 149 | ASN | 0 | 0.031 | 0.018 | 30.732 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 150 | ARG | 1 | 0.807 | 0.868 | 33.944 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 151 | ALA | 0 | 0.052 | 0.041 | 37.623 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 152 | ILE | 0 | -0.038 | -0.023 | 40.608 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 153 | SER | 0 | 0.028 | 0.002 | 43.657 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 154 | ASP | -1 | -0.845 | -0.945 | 47.025 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 155 | GLU | -1 | -0.857 | -0.905 | 50.200 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 156 | GLU | -1 | -0.691 | -0.802 | 45.199 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 157 | CYS | 0 | -0.040 | -0.025 | 47.356 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 158 | THR | 0 | -0.056 | -0.028 | 49.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 159 | PHE | 0 | -0.035 | -0.009 | 50.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 160 | ASN | 0 | 0.035 | 0.009 | 56.018 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 161 | ASN | 0 | -0.013 | 0.000 | 59.204 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 162 | SER | 0 | -0.061 | -0.039 | 61.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 163 | TRP | 0 | 0.037 | 0.010 | 60.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 164 | LEU | 0 | -0.022 | -0.031 | 62.848 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 165 | TRP | 0 | -0.034 | -0.025 | 66.327 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 166 | LYS | 1 | 0.848 | 0.939 | 62.445 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 167 | ASN | 0 | 0.007 | -0.013 | 64.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 168 | GLU | -1 | -0.828 | -0.884 | 66.804 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 169 | LYS | 1 | 0.824 | 0.914 | 65.515 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 170 | GLY | 0 | 0.049 | 0.044 | 64.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 171 | SER | 0 | -0.019 | -0.019 | 58.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 172 | ARG | 1 | 0.756 | 0.868 | 56.253 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 173 | PRO | 0 | 0.107 | 0.053 | 52.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 174 | PHE | 0 | -0.097 | -0.060 | 52.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 176 | LYS | 1 | 0.868 | 0.938 | 47.825 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 177 | ASP | -1 | -0.812 | -0.884 | 44.223 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 178 | ALA | 0 | 0.005 | 0.008 | 43.189 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 179 | ASN | 0 | -0.004 | -0.025 | 36.308 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 180 | ILE | 0 | -0.028 | -0.002 | 34.738 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 181 | SER | 0 | 0.026 | -0.003 | 32.695 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 182 | LEU | 0 | -0.039 | -0.003 | 30.046 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 183 | ILE | 0 | -0.012 | -0.020 | 24.075 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 184 | TYR | 0 | 0.001 | -0.008 | 24.898 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 185 | ARG | 1 | 0.860 | 0.907 | 17.405 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 186 | VAL | 0 | -0.010 | -0.006 | 19.174 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 187 | ASN | 0 | -0.052 | -0.033 | 14.942 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 188 | LEU | 0 | 0.017 | 0.018 | 15.161 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 189 | GLU | -1 | -0.755 | -0.830 | 12.647 | 0.992 | 0.992 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 190 | ARG | 1 | 0.809 | 0.873 | 12.795 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 191 | SER | 0 | -0.044 | -0.046 | 13.810 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 192 | LEU | 0 | -0.017 | -0.002 | 13.883 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 193 | GLN | 0 | 0.008 | -0.025 | 7.118 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 194 | TYR | 0 | -0.007 | -0.014 | 10.180 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 195 | GLY | 0 | 0.018 | 0.008 | 11.968 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 196 | ILE | 0 | -0.040 | -0.003 | 11.690 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 197 | VAL | 0 | 0.007 | -0.006 | 15.313 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 198 | GLY | 0 | -0.015 | -0.004 | 19.044 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 199 | SER | 0 | 0.011 | 0.016 | 17.642 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 200 | ALA | 0 | 0.018 | 0.009 | 19.988 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 201 | THR | 0 | -0.061 | -0.028 | 17.981 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 202 | PRO | 0 | 0.019 | 0.003 | 20.182 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 203 | ASP | -1 | -0.761 | -0.840 | 17.888 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 204 | ALA | 0 | -0.039 | -0.020 | 18.570 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 205 | LYS | 1 | 0.789 | 0.905 | 17.964 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 206 | ILE | 0 | -0.013 | -0.009 | 17.202 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 207 | VAL | 0 | 0.038 | 0.022 | 17.951 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 208 | ARG | 1 | 0.794 | 0.869 | 15.008 | -0.783 | -0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 209 | ILE | 0 | 0.039 | 0.020 | 20.609 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 210 | SER | 0 | -0.009 | 0.007 | 21.719 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 211 | LEU | 0 | -0.008 | 0.027 | 23.887 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 212 | ASP | -1 | -0.739 | -0.885 | 21.418 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 213 | ASP | -1 | -0.854 | -0.933 | 23.827 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 214 | ASP | -1 | -0.907 | -0.931 | 18.793 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 215 | SER | 0 | -0.108 | -0.053 | 21.755 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 216 | THR | 0 | 0.040 | 0.018 | 23.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 217 | GLY | 0 | 0.020 | 0.013 | 27.251 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 218 | ALA | 0 | -0.027 | -0.015 | 28.877 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 219 | GLY | 0 | 0.025 | 0.010 | 32.291 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 220 | ILE | 0 | -0.082 | -0.043 | 34.109 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 221 | HIS | 1 | 0.796 | 0.897 | 37.463 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 222 | LEU | 0 | -0.025 | -0.025 | 40.666 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 223 | ASN | 0 | 0.025 | -0.001 | 44.333 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 224 | ASP | -1 | -0.843 | -0.915 | 44.597 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 225 | GLN | 0 | -0.035 | -0.022 | 46.680 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 226 | LEU | 0 | -0.018 | 0.002 | 49.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 227 | GLY | 0 | 0.029 | 0.029 | 52.111 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 228 | TYR | 0 | -0.017 | -0.014 | 55.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 229 | ARG | 1 | 0.949 | 0.986 | 58.542 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 230 | GLN | 0 | 0.010 | -0.002 | 61.651 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 231 | PHE | 0 | -0.007 | -0.010 | 62.250 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 232 | GLY | 0 | 0.020 | 0.007 | 67.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 233 | ALA | 0 | -0.023 | -0.009 | 70.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 234 | SER | 0 | -0.029 | -0.022 | 73.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 235 | TYR | 0 | 0.026 | 0.028 | 73.333 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 236 | THR | 0 | 0.020 | 0.005 | 77.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 237 | THR | 0 | 0.003 | -0.008 | 75.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 238 | LEU | 0 | -0.028 | -0.005 | 78.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 239 | ASP | -1 | -0.778 | -0.885 | 77.538 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 240 | ALA | 0 | 0.029 | 0.026 | 74.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 241 | TYR | 0 | 0.040 | 0.013 | 67.544 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 242 | PHE | 0 | -0.034 | -0.024 | 71.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 243 | ARG | 1 | 0.845 | 0.925 | 68.597 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 244 | GLU | -1 | -0.687 | -0.809 | 63.362 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 245 | TRP | 0 | -0.045 | -0.029 | 61.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 246 | SER | 0 | 0.024 | 0.011 | 58.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 247 | THR | 0 | -0.020 | -0.015 | 54.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 248 | ASP | -1 | -0.814 | -0.907 | 52.124 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 249 | ALA | 0 | -0.025 | -0.015 | 49.775 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 250 | ILE | 0 | -0.028 | -0.007 | 47.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 251 | ALA | 0 | 0.020 | 0.001 | 43.011 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 252 | GLN | 0 | -0.014 | -0.002 | 45.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 253 | ASP | -1 | -0.779 | -0.876 | 42.292 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 254 | TYR | 0 | 0.008 | -0.003 | 37.928 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 255 | ARG | 1 | 0.890 | 0.939 | 37.762 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 256 | PHE | 0 | 0.008 | 0.005 | 32.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 257 | VAL | 0 | -0.043 | -0.024 | 34.471 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 258 | PHE | 0 | 0.034 | 0.018 | 28.256 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 259 | ASN | 0 | -0.005 | -0.007 | 31.169 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 260 | ALA | 0 | 0.044 | 0.033 | 28.873 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 261 | SER | 0 | -0.003 | 0.001 | 30.088 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 262 | ASN | 0 | 0.014 | -0.002 | 29.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 263 | ASN | 0 | 0.015 | -0.010 | 31.058 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 264 | LYS | 1 | 0.799 | 0.915 | 26.931 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 265 | ALA | 0 | -0.023 | -0.001 | 25.915 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 266 | GLN | 0 | 0.002 | -0.005 | 26.903 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 267 | ILE | 0 | -0.025 | -0.006 | 26.823 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 268 | LEU | 0 | -0.062 | -0.020 | 22.768 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 269 | LYS | 1 | 0.953 | 0.965 | 21.779 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 270 | THR | 0 | -0.012 | -0.009 | 26.563 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 271 | PHE | 0 | -0.005 | 0.009 | 26.881 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 272 | PRO | 0 | 0.131 | 0.044 | 28.722 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 273 | VAL | 0 | -0.022 | 0.001 | 29.366 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 274 | ASP | -1 | -0.885 | -0.937 | 31.721 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 275 | ASN | 0 | -0.013 | 0.003 | 35.446 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 276 | ILE | 0 | 0.003 | 0.007 | 38.583 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 277 | ASN | 0 | -0.011 | 0.002 | 40.103 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 278 | GLU | -1 | -0.821 | -0.937 | 42.306 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 279 | LYS | 1 | 0.854 | 0.938 | 41.485 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 280 | PHE | 0 | 0.004 | -0.002 | 46.349 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 281 | GLU | -1 | -0.855 | -0.914 | 50.028 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 282 | ARG | 1 | 0.833 | 0.907 | 52.361 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 283 | LYS | 1 | 0.878 | 0.931 | 55.367 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 284 | GLU | -1 | -0.844 | -0.914 | 58.818 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 285 | VAL | 0 | -0.003 | 0.006 | 62.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 286 | SER | 0 | 0.016 | -0.008 | 65.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 287 | GLY | 0 | 0.016 | 0.019 | 68.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 288 | PHE | 0 | -0.011 | -0.006 | 71.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 289 | GLU | -1 | -0.856 | -0.907 | 75.320 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 290 | LEU | 0 | 0.016 | 0.007 | 77.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 291 | GLY | 0 | 0.016 | 0.014 | 81.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 292 | VAL | 0 | -0.021 | -0.014 | 83.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 293 | THR | 0 | -0.055 | -0.042 | 87.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 294 | GLY | 0 | 0.015 | 0.012 | 89.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 295 | GLY | 0 | -0.030 | -0.017 | 92.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 296 | VAL | 0 | 0.006 | -0.017 | 94.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 297 | GLU | -1 | -0.850 | -0.889 | 97.763 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 298 | VAL | 0 | 0.008 | -0.004 | 99.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 299 | SER | 0 | -0.021 | -0.029 | 102.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 300 | GLY | 0 | -0.013 | -0.014 | 104.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 301 | ASP | -1 | -0.902 | -0.947 | 106.348 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 302 | GLY | 0 | 0.061 | 0.038 | 107.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 303 | PRO | 0 | -0.062 | -0.021 | 104.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 304 | LYS | 1 | 0.824 | 0.908 | 100.573 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 305 | ALA | 0 | -0.006 | -0.016 | 98.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 306 | LYS | 1 | 0.870 | 0.941 | 91.007 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 307 | LEU | 0 | 0.016 | 0.011 | 92.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 308 | GLU | -1 | -0.835 | -0.895 | 87.794 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 309 | ALA | 0 | 0.016 | -0.002 | 87.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 310 | ARG | 1 | 0.857 | 0.934 | 82.076 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 311 | ALA | 0 | 0.022 | -0.007 | 81.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 312 | SER | 0 | -0.036 | -0.002 | 77.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 313 | TYR | 0 | -0.019 | -0.035 | 71.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 314 | THR | 0 | -0.031 | -0.013 | 70.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 315 | GLN | 0 | 0.047 | 0.016 | 68.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 316 | SER | 0 | -0.027 | 0.002 | 65.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 317 | ARG | 1 | 0.986 | 0.985 | 58.829 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 318 | TRP | 0 | -0.013 | -0.006 | 58.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 319 | LEU | 0 | -0.045 | -0.030 | 53.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 320 | THR | 0 | 0.000 | 0.010 | 51.845 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 321 | TYR | 0 | -0.021 | -0.019 | 49.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 322 | ASN | 0 | 0.002 | 0.011 | 45.217 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 323 | THR | 0 | -0.049 | -0.030 | 46.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 324 | GLN | 0 | 0.022 | 0.003 | 39.154 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 325 | ASP | -1 | -0.754 | -0.837 | 43.442 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 326 | TYR | 0 | -0.012 | -0.026 | 40.793 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 327 | ARG | 1 | 0.848 | 0.911 | 41.231 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 328 | ILE | 0 | -0.020 | -0.016 | 34.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 329 | GLU | -1 | -0.811 | -0.873 | 38.531 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 330 | ARG | 1 | 0.865 | 0.924 | 31.697 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 331 | ASN | 0 | -0.056 | -0.038 | 37.160 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 332 | ALA | 0 | 0.036 | 0.009 | 36.080 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 333 | LYS | 1 | 0.963 | 0.998 | 37.021 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 334 | ASN | 0 | 0.043 | 0.010 | 35.883 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 335 | ALA | 0 | 0.031 | 0.018 | 32.426 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 336 | GLN | 0 | 0.051 | 0.029 | 31.297 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 337 | ALA | 0 | -0.008 | 0.005 | 31.833 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 338 | VAL | 0 | -0.014 | -0.001 | 30.921 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 339 | SER | 0 | -0.009 | -0.012 | 33.677 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 340 | PHE | 0 | 0.008 | 0.012 | 30.567 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 341 | THR | 0 | -0.001 | -0.002 | 35.728 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 342 | TRP | 0 | 0.028 | 0.024 | 32.444 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 343 | ASN | 0 | -0.017 | -0.036 | 39.451 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 344 | ARG | 1 | 0.821 | 0.923 | 43.201 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 345 | GLN | 0 | 0.014 | 0.002 | 45.580 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 346 | GLN | 0 | -0.002 | 0.019 | 47.499 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 347 | TYR | 0 | -0.001 | -0.025 | 49.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 348 | ALA | 0 | 0.050 | 0.046 | 49.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 349 | THR | 0 | 0.024 | 0.011 | 50.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 350 | ALA | 0 | 0.073 | 0.045 | 54.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 351 | GLU | -1 | -0.845 | -0.931 | 56.552 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 352 | SER | 0 | -0.079 | -0.043 | 54.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 353 | LEU | 0 | 0.032 | 0.013 | 52.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 354 | LEU | 0 | -0.014 | 0.013 | 56.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 355 | ASN | 0 | -0.031 | -0.019 | 59.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 356 | ARG | 1 | 0.886 | 0.941 | 61.475 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 357 | SER | 0 | 0.038 | 0.020 | 64.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 358 | THR | 0 | 0.006 | -0.018 | 67.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 359 | ASP | -1 | -0.787 | -0.863 | 69.820 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 360 | ALA | 0 | 0.064 | 0.048 | 72.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 361 | LEU | 0 | 0.011 | -0.009 | 74.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 362 | TRP | 0 | 0.015 | 0.010 | 76.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 363 | VAL | 0 | -0.049 | -0.008 | 70.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 364 | ASN | 0 | -0.008 | -0.010 | 68.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 365 | THR | 0 | -0.009 | -0.014 | 66.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 366 | TYR | 0 | 0.032 | 0.018 | 57.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 367 | PRO | 0 | -0.020 | 0.002 | 62.902 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 368 | VAL | 0 | 0.020 | 0.009 | 56.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 369 | ASP | -1 | -0.841 | -0.908 | 56.460 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 370 | VAL | 0 | 0.029 | -0.003 | 53.094 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 371 | ASN | 0 | -0.040 | -0.027 | 52.419 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 372 | ARG | 1 | 0.770 | 0.890 | 50.998 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 373 | ILE | 0 | -0.028 | -0.004 | 48.536 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 374 | SER | 0 | 0.015 | -0.012 | 44.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 375 | PRO | 0 | 0.096 | 0.032 | 42.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 376 | LEU | 0 | 0.010 | 0.016 | 38.253 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 377 | SER | 0 | -0.021 | -0.013 | 41.567 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 378 | TYR | 0 | -0.007 | -0.008 | 43.686 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 379 | ALA | 0 | 0.029 | 0.045 | 42.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 380 | SER | 0 | -0.009 | 0.004 | 36.712 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 381 | PHE | 0 | 0.021 | 0.018 | 35.499 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 382 | VAL | 0 | 0.040 | 0.013 | 30.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 383 | PRO | 0 | -0.056 | -0.004 | 31.307 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 384 | LYS | 1 | 0.839 | 0.907 | 27.351 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 385 | MET | 0 | -0.072 | -0.025 | 27.902 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 386 | ASP | -1 | -0.882 | -0.941 | 22.699 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 387 | VAL | 0 | -0.053 | -0.027 | 25.198 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 388 | ILE | 0 | -0.009 | -0.004 | 21.112 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 389 | TYR | 0 | 0.017 | -0.002 | 23.289 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 390 | LYS | 1 | 0.906 | 0.949 | 22.365 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 391 | ALA | 0 | 0.048 | 0.026 | 22.301 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 392 | SER | 0 | -0.018 | -0.009 | 22.640 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 393 | ALA | 0 | 0.047 | 0.010 | 20.690 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 394 | THR | 0 | -0.007 | -0.012 | 20.897 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 395 | GLU | -1 | -0.909 | -0.918 | 23.410 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 396 | THR | 0 | 0.007 | -0.019 | 23.076 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 397 | GLY | 0 | 0.009 | 0.018 | 25.023 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 398 | SER | 0 | 0.009 | -0.027 | 24.486 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 399 | THR | 0 | -0.076 | -0.032 | 25.423 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 400 | ASP | -1 | -0.770 | -0.845 | 25.908 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 401 | PHE | 0 | -0.023 | -0.018 | 23.982 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 402 | ILE | 0 | 0.005 | -0.009 | 27.883 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 403 | ILE | 0 | -0.008 | -0.003 | 26.504 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 404 | ASP | -1 | -0.812 | -0.885 | 31.188 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 405 | SER | 0 | 0.018 | 0.013 | 32.748 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 406 | SER | 0 | -0.002 | 0.004 | 35.105 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 407 | VAL | 0 | 0.031 | 0.021 | 38.728 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 408 | ASN | 0 | -0.076 | -0.052 | 41.273 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 409 | ILE | 0 | 0.029 | 0.014 | 44.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 410 | ARG | 1 | 0.821 | 0.881 | 47.075 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 411 | PRO | 0 | 0.015 | 0.031 | 50.240 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 412 | ILE | 0 | 0.003 | 0.000 | 52.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 413 | TYR | 0 | -0.015 | -0.019 | 55.502 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 414 | ASN | 0 | 0.005 | -0.003 | 59.014 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 415 | GLY | 0 | 0.036 | 0.021 | 61.786 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 416 | ALA | 0 | -0.049 | -0.025 | 65.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 417 | TYR | 0 | -0.070 | -0.062 | 68.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 418 | LYS | 1 | 0.859 | 0.928 | 71.745 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 419 | HIS | 0 | 0.003 | 0.003 | 72.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 420 | TYR | 0 | -0.035 | -0.035 | 77.260 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 421 | TYR | 0 | -0.020 | -0.016 | 78.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 422 | VAL | 0 | -0.003 | -0.014 | 83.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 423 | VAL | 0 | -0.024 | -0.011 | 85.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 424 | GLY | 0 | 0.022 | 0.017 | 83.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 425 | ALA | 0 | 0.009 | 0.009 | 80.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 426 | HIS | 0 | -0.008 | 0.018 | 74.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 427 | GLN | 0 | 0.005 | 0.007 | 71.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 428 | SER | 0 | -0.019 | -0.007 | 70.142 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 429 | TYR | 0 | -0.056 | -0.062 | 65.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 430 | HIS | 1 | 0.886 | 0.940 | 64.131 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 431 | GLY | 0 | 0.040 | 0.021 | 60.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 432 | PHE | 0 | -0.053 | -0.019 | 60.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 433 | GLU | -1 | -0.708 | -0.841 | 53.991 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 434 | ASP | -1 | -0.933 | -0.958 | 56.051 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 435 | THR | 0 | 0.000 | 0.007 | 55.453 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 436 | PRO | 0 | -0.024 | -0.025 | 55.011 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 437 | ARG | 1 | 0.819 | 0.900 | 49.517 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 438 | ARG | 1 | 0.871 | 0.925 | 47.933 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 439 | ARG | 1 | 0.786 | 0.876 | 41.354 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 440 | ILE | 0 | 0.002 | 0.023 | 41.586 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 441 | THR | 0 | 0.017 | -0.021 | 38.249 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 442 | LYS | 1 | 0.825 | 0.924 | 34.726 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 443 | SER | 0 | -0.028 | -0.038 | 34.165 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 444 | ALA | 0 | -0.013 | -0.003 | 29.350 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 445 | SER | 0 | 0.012 | 0.008 | 28.828 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 446 | PHE | 0 | 0.042 | 0.038 | 22.028 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 447 | THR | 0 | 0.010 | -0.029 | 24.498 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 448 | VAL | 0 | -0.039 | -0.012 | 19.908 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 449 | ASP | -1 | -0.802 | -0.889 | 20.788 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 450 | TRP | 0 | -0.019 | -0.029 | 19.793 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 451 | ASP | -1 | -0.813 | -0.898 | 19.701 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 452 | HIS | 0 | 0.021 | 0.032 | 13.516 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 453 | PRO | 0 | 0.114 | 0.043 | 12.568 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 454 | VAL | 0 | -0.001 | 0.026 | 10.706 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 455 | PHE | 0 | -0.060 | -0.033 | 12.105 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 456 | THR | 0 | -0.026 | -0.027 | 11.816 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 457 | GLY | 0 | 0.014 | 0.002 | 10.429 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 458 | GLY | 0 | -0.026 | -0.008 | 8.361 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 459 | ARG | 1 | 0.862 | 0.921 | 2.186 | -4.532 | -4.589 | 4.779 | -2.253 | -2.468 | 0.001 |
| 324 | A | 460 | PRO | 0 | 0.008 | -0.006 | 6.111 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 461 | VAL | 0 | 0.023 | 0.017 | 6.606 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 462 | ASN | 0 | 0.030 | 0.027 | 8.803 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 463 | LEU | 0 | 0.021 | 0.025 | 12.172 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 464 | GLN | 0 | 0.002 | -0.024 | 14.210 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 465 | LEU | 0 | -0.004 | -0.003 | 16.592 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 466 | ALA | 0 | 0.016 | 0.000 | 18.325 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 467 | SER | 0 | -0.050 | -0.046 | 20.186 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 468 | PHE | 0 | -0.023 | -0.005 | 22.454 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 469 | ASN | 0 | -0.015 | -0.011 | 21.471 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 470 | ASN | 0 | 0.010 | -0.010 | 18.918 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 471 | ARG | 1 | 0.967 | 0.988 | 19.884 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 472 | CYS | 0 | -0.053 | -0.002 | 15.818 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 473 | ILE | 0 | 0.024 | 0.021 | 18.145 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 474 | GLN | 0 | -0.006 | 0.004 | 18.015 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 475 | VAL | 0 | -0.026 | 0.008 | 19.237 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 476 | ASP | -1 | -0.800 | -0.892 | 21.817 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 477 | ALA | 0 | -0.017 | -0.020 | 24.264 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 478 | GLN | 0 | -0.066 | -0.037 | 26.099 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 479 | GLY | 0 | 0.007 | -0.004 | 24.237 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 480 | ARG | 1 | 0.846 | 0.925 | 25.155 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 481 | LEU | 0 | 0.015 | 0.006 | 21.477 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 482 | THR | 0 | -0.022 | -0.012 | 23.739 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 483 | ALA | 0 | 0.032 | 0.020 | 22.681 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 484 | ASN | 0 | -0.010 | 0.001 | 21.495 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 485 | MET | 0 | -0.019 | -0.010 | 20.795 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 487 | ASP | -1 | -0.801 | -0.909 | 16.438 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 488 | SER | 0 | -0.033 | -0.016 | 10.937 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 489 | GLN | 0 | -0.046 | -0.039 | 11.514 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 490 | GLN | 0 | 0.011 | 0.031 | 13.835 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 491 | SER | 0 | 0.043 | 0.003 | 14.114 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 492 | ALA | 0 | -0.035 | -0.013 | 15.199 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 493 | GLN | 0 | -0.016 | -0.026 | 15.283 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 494 | SER | 0 | -0.055 | -0.009 | 11.364 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 495 | PHE | 0 | -0.011 | -0.018 | 11.745 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 496 | ILE | 0 | -0.017 | -0.003 | 9.866 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 497 | TYR | 0 | -0.052 | -0.034 | 9.548 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 498 | ASP | -1 | -0.782 | -0.886 | 10.410 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 499 | GLN | 0 | 0.014 | -0.013 | 12.487 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 500 | LEU | 0 | -0.077 | -0.028 | 14.369 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 501 | GLY | 0 | 0.054 | 0.041 | 14.642 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 502 | ARG | 1 | 0.833 | 0.910 | 15.682 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 503 | TYR | 0 | 0.029 | 0.017 | 11.617 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 504 | VAL | 0 | -0.010 | -0.011 | 14.568 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 505 | SER | 0 | 0.020 | 0.021 | 14.747 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 506 | ALA | 0 | 0.000 | -0.022 | 12.456 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 507 | SER | 0 | 0.020 | 0.012 | 14.433 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 508 | ASN | 0 | 0.019 | -0.007 | 17.452 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 509 | THR | 0 | 0.021 | 0.017 | 15.960 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 510 | LYS | 1 | 0.918 | 0.965 | 18.685 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 511 | LEU | 0 | -0.010 | 0.003 | 20.942 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 512 | CYS | 0 | -0.065 | -0.016 | 19.286 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 513 | LEU | 0 | 0.058 | 0.037 | 18.415 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 514 | ASP | -1 | -0.739 | -0.858 | 20.601 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 515 | GLY | 0 | 0.054 | 0.005 | 23.689 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 516 | ALA | 0 | -0.065 | -0.021 | 25.311 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 517 | ALA | 0 | -0.032 | -0.020 | 27.302 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 518 | LEU | 0 | -0.022 | 0.004 | 23.451 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 519 | ASP | -1 | -0.833 | -0.919 | 26.486 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 520 | ALA | 0 | -0.024 | -0.028 | 25.838 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 521 | LEU | 0 | -0.059 | -0.010 | 19.831 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 522 | GLN | 0 | -0.005 | 0.006 | 23.884 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 523 | PRO | 0 | 0.029 | -0.001 | 23.977 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 525 | ASN | 0 | -0.033 | -0.022 | 23.170 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 526 | GLN | 0 | 0.023 | -0.003 | 22.617 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 527 | ASN | 0 | -0.014 | 0.009 | 25.002 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 528 | LEU | 0 | 0.020 | -0.003 | 23.917 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 529 | THR | 0 | 0.009 | -0.014 | 23.698 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 530 | GLN | 0 | -0.062 | -0.026 | 21.260 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 531 | ARG | 1 | 0.867 | 0.948 | 19.021 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 532 | TRP | 0 | 0.024 | 0.003 | 16.858 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 533 | GLU | -1 | -0.825 | -0.891 | 16.552 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 534 | TRP | 0 | 0.002 | 0.018 | 12.854 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 535 | ARG | 1 | 0.886 | 0.954 | 16.724 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 536 | LYS | 1 | 0.835 | 0.891 | 16.398 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 537 | GLY | 0 | 0.015 | 0.008 | 16.732 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 538 | THR | 0 | -0.038 | -0.012 | 18.059 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 539 | ASP | -1 | -0.797 | -0.882 | 16.788 | -0.786 | -0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 540 | GLU | -1 | -0.780 | -0.869 | 18.359 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 541 | LEU | 0 | -0.037 | -0.005 | 16.035 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 542 | THR | 0 | -0.048 | -0.034 | 18.868 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 543 | ASN | 0 | 0.014 | -0.020 | 20.346 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 544 | VAL | 0 | -0.012 | -0.018 | 20.439 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 545 | TYR | 0 | -0.059 | -0.020 | 23.185 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 546 | SER | 0 | -0.007 | -0.036 | 26.657 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 547 | GLY | 0 | -0.018 | 0.003 | 25.433 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 548 | GLU | -1 | -0.927 | -0.933 | 25.909 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 549 | SER | 0 | -0.035 | -0.052 | 23.458 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 550 | LEU | 0 | -0.034 | -0.013 | 19.475 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 551 | GLY | 0 | -0.007 | -0.013 | 22.768 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 552 | HIS | 0 | -0.020 | 0.011 | 22.319 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 553 | ASP | -1 | -0.764 | -0.858 | 25.846 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 554 | LYS | 1 | 0.768 | 0.859 | 27.732 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 555 | GLN | 0 | -0.053 | -0.016 | 28.807 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 556 | THR | 0 | -0.041 | -0.049 | 29.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 557 | GLY | 0 | -0.042 | -0.023 | 25.870 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 558 | GLU | -1 | -0.972 | -0.974 | 25.644 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 559 | LEU | 0 | -0.019 | -0.021 | 22.508 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 560 | GLY | 0 | 0.039 | 0.012 | 26.232 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 561 | LEU | 0 | -0.027 | -0.011 | 24.581 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 562 | TYR | 0 | 0.022 | 0.012 | 27.275 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 563 | ALA | 0 | 0.032 | 0.019 | 28.035 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 564 | SER | 0 | 0.002 | -0.007 | 29.284 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 565 | SER | 0 | 0.000 | 0.010 | 28.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 566 | ASN | 0 | 0.011 | 0.001 | 29.961 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 567 | ASP | -1 | -0.831 | -0.931 | 31.721 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 568 | ALA | 0 | -0.005 | 0.008 | 32.755 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 569 | VAL | 0 | 0.006 | 0.032 | 27.991 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 570 | SER | 0 | -0.038 | -0.026 | 24.075 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 571 | LEU | 0 | 0.034 | 0.010 | 24.117 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 572 | ARG | 1 | 0.780 | 0.894 | 18.631 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 573 | THR | 0 | 0.018 | 0.007 | 16.321 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 574 | ILE | 0 | 0.020 | 0.004 | 13.132 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 575 | THR | 0 | -0.035 | -0.026 | 9.947 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 576 | ALA | 0 | 0.014 | 0.006 | 7.635 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 577 | TYR | 0 | -0.014 | -0.013 | 2.969 | -4.399 | -1.563 | 1.437 | -1.316 | -2.957 | -0.015 |
| 440 | A | 578 | THR | 0 | -0.024 | -0.018 | 5.818 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 579 | ASP | -1 | -0.899 | -0.941 | 7.005 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 580 | VAL | 0 | -0.008 | -0.007 | 8.983 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 581 | PHE | 0 | -0.061 | -0.047 | 6.239 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 582 | ASN | 0 | 0.030 | 0.023 | 11.330 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 583 | ALA | 0 | -0.017 | -0.003 | 13.962 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 584 | GLN | 0 | 0.004 | 0.017 | 17.208 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 585 | GLU | -1 | -0.941 | -0.975 | 20.521 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 586 | SER | 0 | -0.065 | -0.051 | 23.264 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 587 | SER | 0 | -0.015 | -0.033 | 26.252 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 588 | PRO | 0 | 0.014 | 0.013 | 29.891 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 589 | ILE | 0 | -0.018 | -0.007 | 32.397 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 590 | LEU | 0 | -0.062 | -0.022 | 35.013 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 591 | GLY | 0 | 0.033 | 0.010 | 38.368 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 592 | TYR | 0 | -0.029 | -0.026 | 39.723 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 593 | THR | 0 | -0.018 | -0.018 | 35.004 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 594 | GLN | 0 | -0.019 | -0.007 | 38.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 595 | GLY | 0 | 0.021 | 0.001 | 41.369 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 596 | LYS | 1 | 0.819 | 0.919 | 40.058 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 597 | MET | 0 | 0.000 | -0.001 | 32.226 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 598 | ASN | 0 | -0.044 | -0.021 | 37.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 599 | GLN | 0 | 0.062 | 0.019 | 30.956 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 600 | GLN | 0 | -0.021 | -0.012 | 35.651 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 601 | ARG | 1 | 0.937 | 0.960 | 28.923 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 602 | VAL | 0 | -0.001 | 0.009 | 34.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 603 | GLY | 0 | 0.037 | 0.026 | 36.084 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 604 | GLN | 0 | -0.006 | -0.027 | 36.611 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 605 | ASP | -1 | -0.857 | -0.933 | 38.728 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 606 | ASN | 0 | -0.045 | -0.025 | 37.688 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 607 | ARG | 1 | 0.934 | 0.985 | 40.025 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 608 | LEU | 0 | -0.019 | -0.002 | 40.547 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 609 | TYR | 0 | -0.034 | -0.022 | 42.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 610 | VAL | 0 | 0.013 | -0.017 | 45.502 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 611 | ARG | 1 | 0.845 | 0.945 | 47.931 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 612 | ALA | 0 | -0.012 | -0.007 | 49.890 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 613 | GLY | 0 | 0.043 | 0.032 | 51.794 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 614 | ALA | 0 | -0.063 | -0.024 | 54.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 615 | ALA | 0 | 0.008 | 0.004 | 50.422 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 616 | ILE | 0 | -0.014 | 0.001 | 45.542 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 617 | ASP | -1 | -0.850 | -0.951 | 48.440 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 618 | ALA | 0 | -0.017 | -0.028 | 46.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 619 | LEU | 0 | -0.008 | 0.003 | 41.968 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 620 | GLY | 0 | 0.079 | 0.033 | 42.108 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 621 | SER | 0 | -0.041 | -0.017 | 39.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 622 | ALA | 0 | 0.057 | 0.012 | 41.522 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 623 | SER | 0 | -0.032 | -0.009 | 44.791 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 624 | ASP | -1 | -0.931 | -0.970 | 47.346 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 625 | LEU | 0 | -0.022 | -0.008 | 42.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 626 | LEU | 0 | -0.046 | -0.001 | 44.167 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 627 | VAL | 0 | -0.011 | -0.009 | 41.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 628 | GLY | 0 | 0.007 | -0.002 | 45.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 629 | GLY | 0 | 0.077 | 0.057 | 47.110 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 630 | ASN | 0 | -0.071 | -0.073 | 50.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 631 | GLY | 0 | -0.021 | 0.000 | 53.790 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 632 | GLY | 0 | 0.042 | 0.037 | 53.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 633 | SER | 0 | -0.017 | -0.008 | 55.036 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 634 | LEU | 0 | -0.027 | -0.020 | 50.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 635 | SER | 0 | 0.005 | 0.006 | 50.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 636 | SER | 0 | -0.029 | -0.025 | 47.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 637 | VAL | 0 | 0.020 | 0.033 | 43.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 638 | ASP | -1 | -0.866 | -0.924 | 42.914 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 639 | LEU | 0 | 0.021 | 0.012 | 38.036 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 640 | SER | 0 | -0.052 | -0.032 | 38.253 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 641 | GLY | 0 | 0.041 | 0.025 | 37.951 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 642 | VAL | 0 | -0.041 | -0.021 | 37.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 643 | LYS | 1 | 0.912 | 0.962 | 36.898 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 644 | SER | 0 | 0.026 | 0.006 | 36.894 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 645 | ILE | 0 | -0.023 | 0.002 | 36.980 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 646 | THR | 0 | -0.017 | -0.020 | 39.301 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 647 | ALA | 0 | 0.009 | 0.019 | 41.057 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 648 | THR | 0 | -0.006 | -0.006 | 42.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 649 | SER | 0 | -0.036 | -0.020 | 43.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 650 | GLY | 0 | 0.057 | 0.025 | 46.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 651 | ASP | -1 | -0.817 | -0.894 | 48.254 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 652 | PHE | 0 | -0.031 | -0.021 | 51.165 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 653 | GLN | 0 | 0.019 | 0.013 | 53.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 654 | TYR | 0 | -0.078 | -0.043 | 56.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 655 | GLY | 0 | 0.034 | 0.025 | 55.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 656 | GLY | 0 | -0.012 | -0.007 | 51.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 657 | GLN | 0 | -0.054 | -0.024 | 45.957 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 658 | GLN | 0 | -0.003 | 0.008 | 47.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 659 | LEU | 0 | 0.014 | 0.018 | 42.616 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 660 | VAL | 0 | -0.033 | -0.029 | 46.027 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 661 | ALA | 0 | 0.008 | -0.010 | 47.045 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 662 | LEU | 0 | 0.022 | 0.012 | 41.857 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 663 | THR | 0 | -0.025 | -0.016 | 44.444 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 664 | PHE | 0 | 0.033 | 0.011 | 40.388 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 665 | THR | 0 | 0.002 | -0.002 | 41.994 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 666 | TYR | 0 | -0.019 | -0.024 | 41.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 667 | GLN | 0 | -0.021 | -0.027 | 36.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 668 | ASP | -1 | -0.821 | -0.896 | 41.314 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 669 | GLY | 0 | -0.017 | -0.002 | 44.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 670 | ARG | 1 | 0.810 | 0.912 | 44.821 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 671 | GLN | 0 | 0.005 | -0.012 | 46.149 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 672 | GLN | 0 | 0.016 | 0.002 | 47.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 673 | THR | 0 | -0.017 | 0.002 | 47.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 674 | VAL | 0 | 0.022 | 0.026 | 46.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 675 | GLY | 0 | 0.068 | 0.033 | 49.050 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 676 | SER | 0 | -0.007 | -0.002 | 51.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 677 | LYS | 1 | 0.821 | 0.903 | 47.289 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 678 | ALA | 0 | 0.005 | -0.005 | 52.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 679 | TYR | 0 | -0.005 | 0.001 | 54.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 680 | VAL | 0 | -0.033 | -0.017 | 50.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 681 | THR | 0 | 0.009 | 0.020 | 53.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 682 | ASN | 0 | -0.110 | -0.096 | 49.727 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 683 | ALA | 0 | -0.026 | 0.005 | 48.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 684 | HIS | 0 | -0.005 | -0.021 | 40.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 685 | GLU | -1 | -0.826 | -0.907 | 43.537 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 686 | ASP | -1 | -0.810 | -0.877 | 38.368 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 687 | ARG | 1 | 0.820 | 0.880 | 38.248 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 688 | PHE | 0 | 0.014 | 0.002 | 30.916 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 689 | ASP | -1 | -0.837 | -0.917 | 34.077 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 690 | LEU | 0 | -0.046 | -0.018 | 32.404 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 691 | PRO | 0 | -0.002 | -0.009 | 28.449 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 692 | ASP | -1 | -0.877 | -0.943 | 30.936 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 693 | ALA | 0 | -0.055 | -0.027 | 31.326 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 694 | ALA | 0 | 0.029 | 0.040 | 30.698 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 695 | LYS | 1 | 0.853 | 0.930 | 31.117 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 696 | ILE | 0 | 0.042 | 0.019 | 31.532 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 697 | THR | 0 | -0.035 | -0.025 | 29.620 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 698 | GLN | 0 | -0.037 | -0.016 | 29.849 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 699 | LEU | 0 | -0.025 | -0.001 | 33.211 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 700 | LYS | 1 | 0.850 | 0.923 | 28.644 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 701 | ILE | 0 | 0.000 | -0.008 | 35.524 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 702 | TRP | 0 | 0.026 | 0.031 | 33.198 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 703 | ALA | 0 | 0.058 | 0.027 | 40.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 704 | ASP | -1 | -0.829 | -0.906 | 43.791 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 705 | ASP | -1 | -0.874 | -0.949 | 46.463 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 706 | TRP | 0 | -0.054 | -0.011 | 49.505 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 707 | LEU | 0 | 0.003 | -0.006 | 49.077 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 708 | VAL | 0 | 0.007 | 0.009 | 43.127 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 709 | LYS | 1 | 0.774 | 0.874 | 42.315 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 710 | GLY | 0 | 0.052 | 0.021 | 39.877 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 711 | VAL | 0 | -0.052 | -0.015 | 37.966 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 712 | GLN | 0 | -0.024 | -0.011 | 30.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 713 | PHE | 0 | 0.037 | 0.001 | 34.118 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 714 | ASP | -1 | -0.816 | -0.881 | 29.365 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 715 | LEU | 0 | 0.035 | 0.001 | 28.289 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 716 | ASN | 0 | -0.009 | 0.019 | 24.082 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |