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: 2G4RR
Calculation Name: 7L6F-y-Other547
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 7L6F
Chain ID: y
Base Structure: ElectronMicroscopy
Registration Date: 2025-10-06
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 | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 521 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -9714551.17278 |
|---|---|
| FMO2-HF: Nuclear repulsion | 9509111.784527 |
| FMO2-HF: Total energy | -205439.388253 |
| FMO2-MP2: Total energy | -206037.386494 |
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:213:ASP)
Summations of interaction energy for
fragment #1(A:213:ASP)
| 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. |
| -45.846 | -50.268 | 22.392 | -10.156 | -7.812 | -0.015 |
Interaction energy analysis for fragmet #1(A:213:ASP)
| 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 | 215 | VAL | 0 | -0.018 | -0.018 | 3.867 | -4.140 | -2.679 | -0.023 | -0.746 | -0.691 | 0.001 |
| 5 | A | 217 | ASN | 0 | -0.051 | -0.034 | 1.733 | -15.064 | -21.498 | 14.115 | -4.342 | -3.339 | 0.047 |
| 6 | A | 218 | ALA | 0 | 0.030 | 0.035 | 5.027 | -5.256 | -5.254 | -0.001 | -0.007 | 0.007 | 0.000 |
| 7 | A | 219 | SER | 0 | -0.020 | -0.019 | 4.439 | 2.717 | 2.788 | -0.001 | -0.018 | -0.052 | 0.000 |
| 187 | A | 399 | GLY | 0 | 0.044 | 0.047 | 3.002 | 1.793 | 2.255 | 0.043 | -0.212 | -0.293 | -0.001 |
| 188 | A | 400 | ASN | 0 | -0.065 | -0.031 | 1.920 | -29.266 | -29.371 | 8.260 | -4.820 | -3.335 | -0.062 |
| 189 | A | 401 | ASN | 0 | 0.005 | -0.006 | 4.513 | 1.260 | 1.381 | -0.001 | -0.011 | -0.109 | 0.000 |
| 4 | A | 216 | GLY | 0 | -0.009 | -0.001 | 6.847 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 220 | GLY | 0 | 0.004 | -0.015 | 5.742 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 221 | ASP | -1 | -0.891 | -0.930 | 9.084 | 2.052 | 2.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 222 | TRP | 0 | -0.055 | -0.033 | 12.281 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 223 | HIS | 0 | -0.068 | -0.047 | 15.834 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 224 | CYS | -1 | -0.890 | -0.890 | 18.394 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 225 | ASP | -1 | -0.872 | -0.920 | 21.997 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 226 | SER | 0 | 0.030 | -0.006 | 24.710 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 227 | THR | 0 | -0.020 | 0.001 | 24.927 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 228 | TRP | 0 | -0.005 | -0.017 | 27.943 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 229 | SER | 0 | -0.061 | -0.039 | 31.009 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 230 | GLU | -1 | -0.993 | -0.996 | 33.119 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 231 | GLY | 0 | 0.104 | 0.063 | 35.749 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 232 | LYS | 1 | 0.776 | 0.871 | 26.871 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 233 | VAL | 0 | 0.001 | 0.010 | 29.856 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 234 | THR | 0 | -0.020 | -0.010 | 23.996 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 235 | THR | 0 | 0.001 | 0.013 | 26.056 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 236 | THR | 0 | -0.034 | -0.028 | 19.456 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 237 | SER | 0 | 0.014 | -0.012 | 21.757 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 238 | THR | 0 | -0.002 | -0.028 | 16.656 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 239 | ARG | 1 | 0.841 | 0.914 | 18.840 | 0.809 | 0.809 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 240 | THR | 0 | 0.002 | -0.013 | 17.246 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 241 | TRP | 0 | -0.008 | 0.004 | 13.240 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 242 | VAL | 0 | -0.008 | -0.002 | 18.011 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 243 | LEU | 0 | 0.025 | 0.025 | 17.848 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 244 | PRO | 0 | 0.037 | 0.022 | 20.159 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 245 | THR | 0 | -0.028 | -0.032 | 22.312 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 246 | TYR | 0 | -0.005 | -0.018 | 23.654 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 247 | ASN | 0 | -0.015 | -0.023 | 26.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 248 | ASN | 0 | 0.010 | 0.000 | 27.836 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 249 | HIS | 0 | 0.029 | 0.012 | 21.546 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 250 | LEU | 0 | -0.069 | -0.024 | 26.151 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 251 | TYR | 0 | 0.010 | -0.037 | 26.015 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 252 | LEU | 0 | -0.018 | 0.004 | 31.192 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 253 | ARG | 1 | 0.857 | 0.913 | 34.495 | 0.626 | 0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 254 | LEU | 0 | 0.002 | -0.002 | 35.011 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 255 | GLY | 0 | 0.038 | 0.004 | 38.710 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 256 | THR | 0 | -0.085 | -0.034 | 42.184 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 257 | THR | 0 | 0.025 | 0.017 | 45.466 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 258 | SER | 0 | -0.051 | -0.046 | 48.547 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 259 | SER | 0 | -0.075 | -0.042 | 50.292 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 260 | SER | 0 | 0.068 | 0.011 | 50.744 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 261 | ASN | 0 | -0.005 | 0.002 | 46.592 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 262 | THR | 0 | -0.022 | -0.018 | 45.786 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 263 | TYR | 0 | 0.001 | 0.011 | 39.457 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 264 | ASN | 0 | -0.031 | -0.042 | 41.553 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 265 | GLY | 0 | 0.047 | 0.025 | 37.544 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 266 | PHE | 0 | -0.058 | -0.008 | 33.354 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 267 | SER | 0 | 0.013 | 0.020 | 31.646 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 268 | THR | 0 | -0.010 | -0.032 | 27.092 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 269 | PRO | 0 | -0.049 | -0.019 | 24.370 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 270 | TRP | 0 | -0.011 | -0.013 | 18.860 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 271 | GLY | 0 | 0.025 | 0.021 | 21.912 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 272 | TYR | 0 | -0.040 | -0.027 | 21.978 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 273 | PHE | 0 | 0.001 | -0.005 | 16.836 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 274 | ASP | -1 | -0.792 | -0.907 | 22.248 | -0.932 | -0.932 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 275 | PHE | 0 | 0.000 | -0.030 | 19.637 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 276 | ASN | 0 | 0.006 | 0.012 | 25.778 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 277 | ARG | 1 | 0.959 | 0.952 | 29.381 | 0.620 | 0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 278 | PHE | 0 | 0.034 | 0.015 | 30.009 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 279 | HIS | 0 | 0.078 | 0.043 | 30.158 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 280 | CYS | 0 | -0.116 | -0.037 | 26.170 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 281 | HIS | 0 | -0.014 | -0.006 | 24.689 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 282 | PHE | 0 | 0.016 | 0.020 | 27.490 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 283 | SER | 0 | 0.058 | 0.028 | 30.269 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 284 | PRO | 0 | 0.065 | 0.018 | 31.588 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 285 | ARG | 1 | 0.905 | 0.956 | 34.322 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 286 | ASP | -1 | -0.763 | -0.840 | 30.804 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 287 | TRP | 0 | 0.043 | 0.020 | 34.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 288 | GLN | 0 | -0.048 | -0.038 | 36.414 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 289 | ARG | 1 | 0.810 | 0.901 | 32.990 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 290 | LEU | 0 | 0.008 | 0.017 | 34.892 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 291 | ILE | 0 | 0.025 | 0.010 | 37.846 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 292 | ASN | 0 | -0.019 | 0.007 | 41.200 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 293 | ASN | 0 | -0.072 | -0.036 | 40.360 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 294 | ASN | 0 | -0.049 | -0.039 | 38.521 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 295 | TRP | 0 | 0.083 | 0.037 | 41.871 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 296 | GLY | 0 | 0.027 | 0.031 | 41.231 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 297 | LEU | 0 | -0.007 | -0.005 | 33.966 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 298 | ARG | 1 | 0.818 | 0.901 | 34.728 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 299 | PRO | 0 | 0.032 | 0.038 | 30.002 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 300 | LYS | 1 | 0.818 | 0.902 | 28.651 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 301 | ALA | 0 | 0.009 | -0.003 | 24.716 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 302 | MET | 0 | 0.016 | 0.020 | 22.181 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 303 | ARG | 1 | 0.869 | 0.936 | 16.133 | 1.089 | 1.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 304 | VAL | 0 | 0.018 | 0.016 | 16.732 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 305 | LYS | 1 | 0.912 | 0.967 | 11.942 | 1.248 | 1.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 306 | ILE | 0 | 0.011 | 0.014 | 12.297 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 307 | PHE | 0 | -0.021 | -0.016 | 8.754 | -1.384 | -1.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 308 | ASN | 0 | -0.001 | -0.010 | 8.129 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 309 | ILE | 0 | 0.015 | 0.026 | 8.249 | 1.018 | 1.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 310 | GLN | 0 | -0.002 | -0.020 | 9.528 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 311 | VAL | 0 | 0.012 | 0.011 | 12.206 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 312 | LYS | 1 | 0.851 | 0.937 | 14.372 | 2.159 | 2.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 313 | GLU | -1 | -0.865 | -0.924 | 17.658 | -1.824 | -1.824 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 314 | VAL | 0 | -0.019 | -0.022 | 20.411 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 315 | THR | 0 | 0.001 | 0.001 | 24.007 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 316 | THR | 0 | -0.007 | -0.004 | 27.001 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 317 | SER | 0 | -0.005 | -0.008 | 30.616 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 318 | ASN | 0 | -0.042 | -0.037 | 32.898 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 319 | GLY | 0 | 0.013 | 0.018 | 35.751 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 320 | GLU | -1 | -0.934 | -0.948 | 31.358 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 321 | THR | 0 | -0.041 | -0.027 | 28.365 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 322 | THR | 0 | 0.027 | 0.019 | 26.068 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 323 | VAL | 0 | -0.007 | -0.020 | 20.651 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 324 | ALA | 0 | 0.027 | 0.031 | 19.659 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 325 | ASN | 0 | -0.013 | -0.021 | 13.447 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 326 | ASN | 0 | 0.069 | 0.036 | 15.388 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 327 | LEU | 0 | 0.003 | -0.015 | 10.749 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 328 | THR | 0 | -0.073 | -0.028 | 10.262 | -1.044 | -1.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 329 | SER | 0 | 0.015 | -0.007 | 12.400 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 330 | THR | 0 | -0.034 | -0.015 | 10.472 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 331 | VAL | 0 | 0.008 | 0.017 | 11.513 | 0.685 | 0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 332 | GLN | 0 | -0.006 | -0.012 | 12.759 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 333 | ILE | 0 | 0.020 | -0.003 | 12.208 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 334 | PHE | 0 | 0.024 | 0.018 | 15.577 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 335 | ALA | 0 | 0.034 | 0.017 | 17.815 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 336 | ASP | -1 | -0.799 | -0.903 | 20.142 | -1.313 | -1.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 337 | SER | 0 | -0.052 | -0.038 | 21.824 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 338 | SER | 0 | -0.028 | -0.001 | 24.366 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 339 | TYR | 0 | -0.112 | -0.081 | 27.254 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 340 | GLU | -1 | -0.888 | -0.943 | 27.734 | -1.158 | -1.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 341 | LEU | 0 | -0.057 | -0.021 | 25.506 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 342 | PRO | 0 | -0.049 | -0.018 | 29.682 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 343 | TYR | 0 | -0.004 | -0.004 | 28.039 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 344 | VAL | 0 | 0.012 | -0.006 | 29.837 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 345 | MET | 0 | -0.044 | 0.002 | 25.204 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 346 | ASP | -1 | -0.800 | -0.893 | 30.043 | -0.726 | -0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 347 | ALA | 0 | -0.039 | -0.008 | 33.451 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 348 | GLY | 0 | -0.021 | -0.012 | 34.944 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 349 | GLN | 0 | -0.066 | -0.025 | 33.016 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 350 | GLU | -1 | -0.928 | -0.964 | 31.975 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 351 | GLY | 0 | -0.009 | -0.017 | 27.887 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 352 | SER | 0 | 0.001 | 0.009 | 26.144 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 353 | LEU | 0 | -0.032 | -0.010 | 21.439 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 354 | PRO | 0 | 0.026 | 0.016 | 24.631 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 355 | PRO | 0 | -0.015 | 0.015 | 27.023 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 356 | PHE | 0 | -0.007 | -0.010 | 28.589 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 357 | PRO | 0 | 0.019 | -0.019 | 23.867 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 358 | ASN | 0 | -0.045 | -0.017 | 23.438 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 359 | ASP | -1 | -0.884 | -0.928 | 25.072 | -0.532 | -0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 360 | VAL | 0 | -0.027 | -0.016 | 21.113 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 361 | PHE | 0 | 0.006 | -0.007 | 20.481 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 362 | MET | 0 | -0.015 | -0.014 | 22.313 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 363 | VAL | 0 | -0.009 | 0.000 | 19.438 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 364 | PRO | 0 | 0.025 | 0.047 | 22.909 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 365 | GLN | 0 | 0.039 | 0.009 | 25.129 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 366 | TYR | 0 | -0.022 | -0.024 | 25.814 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 367 | GLY | 0 | 0.024 | 0.003 | 27.580 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 368 | TYR | 0 | -0.005 | 0.017 | 30.536 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 369 | CYS | 0 | -0.003 | -0.009 | 33.832 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 370 | GLY | 0 | 0.018 | 0.010 | 37.319 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 371 | ILE | 0 | -0.005 | 0.001 | 39.762 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 372 | VAL | 0 | 0.034 | 0.025 | 43.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 373 | THR | 0 | 0.004 | 0.000 | 46.021 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 374 | GLY | 0 | 0.026 | 0.011 | 49.568 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 375 | GLU | -1 | -0.803 | -0.887 | 50.414 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 376 | ASN | 0 | -0.032 | -0.004 | 50.635 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 377 | GLN | 0 | 0.067 | 0.045 | 44.639 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 378 | ASN | 0 | -0.042 | -0.016 | 45.625 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 379 | GLN | 0 | 0.039 | 0.030 | 41.839 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 380 | THR | 0 | -0.003 | -0.002 | 45.143 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 381 | ASP | -1 | -0.867 | -0.937 | 44.485 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 382 | ARG | 1 | 0.891 | 0.942 | 43.743 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 383 | ASN | 0 | -0.066 | -0.038 | 40.968 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 384 | ALA | 0 | 0.056 | 0.041 | 36.341 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 385 | PHE | 0 | -0.035 | -0.025 | 31.226 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 386 | TYR | 0 | 0.023 | 0.011 | 30.012 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 387 | CYS | 0 | -0.038 | -0.009 | 27.790 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 388 | LEU | 0 | 0.061 | 0.017 | 23.757 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 389 | GLU | -1 | -0.790 | -0.869 | 22.301 | -1.864 | -1.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 390 | TYR | 0 | -0.062 | -0.021 | 23.489 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 391 | PHE | 0 | 0.034 | 0.019 | 22.363 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 392 | PRO | 0 | -0.025 | -0.015 | 19.669 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 393 | SER | 0 | -0.007 | 0.002 | 16.725 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 394 | GLN | 0 | -0.034 | -0.015 | 8.422 | 0.885 | 0.885 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 395 | MET | 0 | -0.037 | -0.019 | 11.711 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 396 | LEU | 0 | -0.027 | -0.007 | 8.160 | -1.480 | -1.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 397 | ARG | 1 | 0.906 | 0.941 | 6.502 | 8.255 | 8.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 398 | THR | 0 | 0.038 | -0.001 | 6.713 | -2.553 | -2.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 402 | PHE | 0 | 0.036 | 0.029 | 7.362 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 403 | GLU | -1 | -0.842 | -0.937 | 10.614 | -1.677 | -1.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 404 | MET | 0 | -0.020 | 0.008 | 12.834 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 405 | ALA | 0 | -0.021 | -0.025 | 16.419 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 406 | TYR | 0 | 0.000 | -0.030 | 19.558 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 407 | ASN | 0 | -0.015 | -0.008 | 23.266 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 408 | PHE | 0 | 0.038 | 0.016 | 26.623 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 409 | GLU | -1 | -0.813 | -0.895 | 29.765 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 410 | LYS | 1 | 0.840 | 0.905 | 32.833 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 411 | VAL | 0 | 0.063 | 0.055 | 35.287 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 412 | PRO | 0 | -0.005 | -0.014 | 37.496 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 413 | PHE | 0 | -0.015 | -0.013 | 37.372 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 414 | HIS | 0 | -0.014 | -0.009 | 39.434 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 415 | SER | 0 | -0.008 | -0.011 | 41.156 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 416 | MET | 0 | -0.021 | 0.013 | 38.853 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 417 | TYR | 0 | -0.011 | -0.023 | 43.767 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 418 | ALA | 0 | 0.040 | 0.031 | 47.533 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 419 | HIS | 0 | 0.022 | 0.008 | 50.844 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 420 | SER | 0 | -0.039 | -0.042 | 53.960 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 421 | GLN | 0 | -0.010 | -0.010 | 56.740 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 422 | SER | 0 | 0.030 | -0.007 | 58.157 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 423 | LEU | 0 | 0.069 | 0.038 | 57.509 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 424 | ASP | -1 | -0.876 | -0.904 | 60.966 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 425 | ARG | 1 | 0.794 | 0.863 | 63.613 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 426 | LEU | 0 | 0.028 | 0.040 | 59.773 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 427 | MET | 0 | -0.063 | -0.006 | 63.661 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 428 | ASN | 0 | 0.042 | 0.006 | 67.186 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 429 | PRO | 0 | 0.008 | -0.002 | 68.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 430 | LEU | 0 | 0.013 | -0.004 | 71.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 431 | LEU | 0 | -0.025 | 0.003 | 72.257 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 432 | ASP | -1 | -0.777 | -0.867 | 74.701 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 433 | GLN | 0 | 0.010 | 0.001 | 70.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 434 | TYR | 0 | -0.011 | -0.006 | 72.525 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 435 | LEU | 0 | -0.005 | 0.008 | 73.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 436 | TRP | 0 | 0.030 | 0.010 | 77.577 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 437 | HIS | 0 | -0.069 | -0.050 | 78.179 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 438 | LEU | 0 | 0.008 | 0.018 | 80.131 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 439 | GLN | 0 | -0.032 | -0.017 | 81.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 440 | SER | 0 | 0.010 | -0.006 | 83.005 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 441 | THR | 0 | 0.005 | -0.004 | 85.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 442 | THR | 0 | 0.022 | -0.008 | 87.565 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 443 | SER | 0 | -0.038 | 0.002 | 89.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 444 | GLY | 0 | 0.048 | 0.015 | 90.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 445 | GLU | -1 | -0.922 | -0.962 | 86.474 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 446 | THR | 0 | -0.045 | -0.013 | 86.385 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 447 | LEU | 0 | 0.029 | 0.007 | 83.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 448 | ASN | 0 | -0.059 | -0.041 | 87.413 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 449 | GLN | 0 | 0.040 | 0.031 | 89.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 450 | GLY | 0 | 0.044 | 0.048 | 91.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 451 | ASN | 0 | -0.037 | -0.043 | 94.159 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 452 | ALA | 0 | -0.023 | 0.003 | 92.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 453 | ALA | 0 | 0.030 | 0.023 | 92.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 454 | THR | 0 | -0.038 | -0.027 | 87.809 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 455 | THR | 0 | 0.017 | 0.028 | 87.078 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 456 | PHE | 0 | 0.011 | -0.010 | 83.675 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 457 | GLY | 0 | 0.049 | 0.022 | 83.608 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 458 | LYS | 1 | 0.855 | 0.927 | 79.638 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 459 | ILE | 0 | -0.017 | -0.001 | 75.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 460 | ARG | 1 | 0.914 | 0.951 | 78.253 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 461 | SER | 0 | 0.028 | 0.003 | 75.470 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 462 | GLY | 0 | -0.024 | -0.002 | 74.994 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 463 | ASP | -1 | -0.897 | -0.946 | 75.358 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 464 | PHE | 0 | -0.013 | -0.031 | 70.407 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 465 | ALA | 0 | 0.013 | 0.017 | 71.057 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 466 | PHE | 0 | 0.032 | 0.010 | 71.840 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 467 | TYR | 0 | -0.035 | -0.023 | 70.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 468 | ARG | 1 | 0.846 | 0.930 | 70.828 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 469 | LYS | 1 | 0.884 | 0.935 | 65.585 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 470 | ASN | 0 | 0.003 | -0.002 | 63.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 471 | TRP | 0 | -0.010 | 0.007 | 59.608 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 472 | LEU | 0 | -0.025 | -0.010 | 60.663 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 473 | PRO | 0 | 0.046 | 0.008 | 58.599 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 474 | GLY | 0 | 0.060 | 0.023 | 55.180 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 475 | PRO | 0 | -0.023 | -0.025 | 53.284 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 476 | CYS | 0 | -0.056 | -0.024 | 55.445 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 477 | VAL | 0 | -0.039 | -0.034 | 53.925 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 478 | LYS | 1 | 0.872 | 0.950 | 55.340 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 479 | GLN | 0 | -0.015 | -0.016 | 51.695 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 480 | GLN | 0 | -0.057 | -0.025 | 56.268 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 481 | ARG | 1 | 0.906 | 0.951 | 56.490 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 482 | PHE | 0 | -0.032 | -0.005 | 54.962 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 483 | SER | 0 | 0.013 | -0.014 | 57.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 484 | LYS | 1 | 0.865 | 0.941 | 52.989 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 485 | THR | 0 | -0.024 | -0.001 | 57.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 486 | ALA | 0 | 0.034 | 0.010 | 58.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 487 | SER | 0 | -0.043 | -0.030 | 60.306 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 488 | GLN | 0 | 0.017 | 0.021 | 63.007 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 489 | ASN | 0 | 0.006 | 0.017 | 58.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 490 | TYR | 0 | 0.001 | 0.002 | 62.734 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 491 | LYS | 1 | 0.942 | 0.965 | 62.084 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 492 | ILE | 0 | 0.022 | 0.011 | 58.656 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 493 | PRO | 0 | -0.018 | -0.002 | 58.865 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 494 | ALA | 0 | 0.063 | 0.032 | 53.210 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 495 | SER | 0 | -0.032 | -0.020 | 53.637 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 496 | GLY | 0 | 0.065 | 0.032 | 55.710 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 497 | GLY | 0 | 0.013 | -0.001 | 58.732 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 498 | ASN | 0 | -0.034 | -0.019 | 61.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 499 | ALA | 0 | 0.058 | 0.036 | 55.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 500 | LEU | 0 | 0.058 | 0.029 | 53.387 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 501 | LEU | 0 | 0.018 | 0.016 | 51.169 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 502 | LYS | 1 | 0.818 | 0.912 | 54.324 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 503 | TYR | 0 | -0.029 | -0.037 | 57.841 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 504 | ASP | -1 | -0.755 | -0.866 | 52.967 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 505 | THR | 0 | -0.019 | 0.004 | 54.090 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 506 | HIS | 1 | 0.836 | 0.928 | 52.588 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 507 | TYR | 0 | 0.034 | 0.021 | 46.117 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 508 | THR | 0 | -0.001 | -0.021 | 52.565 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 509 | LEU | 0 | -0.001 | -0.002 | 47.105 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 510 | ASN | 0 | -0.010 | -0.013 | 49.617 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 511 | ASN | 0 | -0.002 | -0.016 | 52.019 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 512 | ARG | 1 | 0.919 | 1.003 | 47.027 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 513 | TRP | 0 | -0.020 | -0.026 | 51.768 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 514 | SER | 0 | 0.060 | 0.026 | 47.290 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 515 | ASN | 0 | -0.019 | -0.015 | 48.700 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 516 | ILE | 0 | -0.021 | -0.009 | 48.409 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 517 | ALA | 0 | 0.001 | 0.023 | 46.593 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 518 | PRO | 0 | -0.001 | -0.001 | 44.031 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 519 | GLY | 0 | 0.033 | 0.004 | 47.151 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 520 | PRO | 0 | 0.000 | -0.017 | 48.078 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 521 | PRO | 0 | -0.015 | 0.017 | 48.044 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 522 | MET | 0 | 0.001 | 0.028 | 49.807 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 523 | ALA | 0 | 0.029 | 0.040 | 52.040 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 524 | THR | 0 | 0.013 | -0.004 | 50.675 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 525 | ALA | 0 | -0.060 | -0.023 | 53.883 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 526 | GLY | 0 | 0.122 | 0.072 | 53.226 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 527 | PRO | 0 | -0.051 | -0.036 | 49.358 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 528 | SER | 0 | -0.047 | -0.034 | 51.377 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 529 | ASP | -1 | -0.863 | -0.897 | 54.255 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 530 | GLY | 0 | 0.015 | -0.001 | 56.380 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 531 | ASP | -1 | -0.893 | -0.958 | 57.779 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 532 | PHE | 0 | 0.015 | 0.001 | 52.251 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 533 | SER | 0 | -0.017 | -0.047 | 52.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 534 | ASN | 0 | -0.011 | -0.012 | 49.924 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 535 | ALA | 0 | 0.006 | 0.017 | 48.838 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 536 | GLN | 0 | -0.040 | -0.020 | 48.423 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 537 | LEU | 0 | 0.006 | 0.010 | 41.434 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 538 | ILE | 0 | 0.002 | -0.008 | 44.159 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 539 | PHE | 0 | 0.028 | 0.014 | 38.798 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 540 | PRO | 0 | 0.002 | 0.003 | 39.453 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 541 | GLY | 0 | 0.065 | 0.030 | 41.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 542 | PRO | 0 | -0.025 | -0.019 | 41.105 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 543 | SER | 0 | -0.045 | -0.017 | 41.754 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 544 | VAL | 0 | -0.002 | -0.001 | 42.471 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 545 | THR | 0 | -0.014 | -0.011 | 42.324 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 546 | GLY | 0 | 0.064 | 0.039 | 41.483 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 547 | ASN | 0 | 0.013 | 0.001 | 40.681 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 548 | THR | 0 | -0.061 | -0.034 | 43.487 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 549 | THR | 0 | 0.009 | 0.010 | 47.171 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 550 | THR | 0 | -0.002 | -0.001 | 49.507 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 551 | SER | 0 | -0.007 | 0.000 | 51.911 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 552 | ALA | 0 | 0.064 | 0.022 | 51.018 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 553 | ASN | 0 | -0.001 | -0.002 | 50.342 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 554 | ASN | 0 | -0.039 | -0.010 | 47.505 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 555 | LEU | 0 | -0.042 | -0.023 | 45.597 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 556 | LEU | 0 | -0.030 | -0.004 | 42.353 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 557 | PHE | 0 | -0.009 | -0.015 | 45.180 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 558 | THR | 0 | -0.007 | 0.000 | 44.289 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 559 | SER | 0 | -0.093 | -0.068 | 46.723 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 560 | GLU | -1 | -0.693 | -0.832 | 46.314 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 561 | GLU | -1 | -0.847 | -0.908 | 49.956 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 562 | GLU | -1 | -0.879 | -0.950 | 49.825 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 563 | ILE | 0 | -0.068 | -0.043 | 49.762 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 564 | ALA | 0 | -0.002 | -0.007 | 52.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 565 | ALA | 0 | -0.045 | -0.003 | 55.852 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 566 | THR | 0 | -0.008 | -0.023 | 53.424 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 567 | ASN | 0 | 0.015 | 0.008 | 51.529 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 568 | PRO | 0 | 0.035 | 0.028 | 56.026 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 569 | ARG | 1 | 0.914 | 0.964 | 56.489 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 570 | ASP | -1 | -0.717 | -0.847 | 53.977 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 571 | THR | 0 | -0.045 | -0.027 | 55.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 572 | ASP | -1 | -0.952 | -0.975 | 58.845 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 573 | MET | 0 | -0.093 | -0.036 | 60.581 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 574 | PHE | 0 | -0.012 | -0.012 | 59.805 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 575 | GLY | 0 | 0.018 | 0.004 | 62.225 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 576 | GLN | 0 | -0.053 | -0.031 | 66.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 577 | ILE | 0 | 0.009 | 0.009 | 66.586 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 578 | ALA | 0 | -0.006 | 0.024 | 70.809 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 579 | ASP | -1 | -0.846 | -0.938 | 72.849 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 580 | ASN | 0 | -0.080 | -0.050 | 75.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 581 | ASN | 0 | -0.008 | 0.000 | 78.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 582 | GLN | 0 | 0.017 | 0.021 | 80.989 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 583 | ASN | 0 | -0.006 | -0.010 | 83.649 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 584 | ALA | 0 | 0.021 | 0.003 | 87.431 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 585 | THR | 0 | -0.028 | 0.000 | 90.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 586 | THR | 0 | -0.047 | -0.032 | 84.998 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 587 | ALA | 0 | 0.067 | 0.031 | 83.847 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 588 | PRO | 0 | 0.001 | 0.002 | 79.497 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 589 | ILE | 0 | -0.026 | -0.011 | 76.539 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 590 | THR | 0 | -0.070 | -0.056 | 72.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 591 | GLY | 0 | 0.109 | 0.077 | 71.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 592 | ASN | 0 | -0.021 | -0.025 | 66.927 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 593 | VAL | 0 | 0.008 | 0.007 | 62.671 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 594 | THR | 0 | 0.003 | -0.005 | 61.764 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 595 | ALA | 0 | -0.005 | -0.010 | 58.503 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 596 | MET | 0 | -0.007 | 0.001 | 58.306 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 597 | GLY | 0 | 0.033 | 0.019 | 56.242 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 598 | VAL | 0 | 0.000 | -0.016 | 53.336 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 599 | LEU | 0 | 0.024 | 0.009 | 56.580 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 600 | PRO | 0 | -0.011 | -0.022 | 58.535 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 601 | GLY | 0 | 0.028 | 0.019 | 59.219 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 602 | MET | 0 | -0.069 | 0.006 | 56.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 603 | VAL | 0 | -0.007 | -0.004 | 54.672 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 604 | TRP | 0 | 0.022 | -0.007 | 48.835 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 605 | GLN | 0 | -0.021 | -0.001 | 47.946 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 606 | ASN | 0 | 0.070 | 0.029 | 43.679 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 607 | ARG | 1 | 0.849 | 0.938 | 43.888 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 608 | ASP | -1 | -0.765 | -0.844 | 43.245 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 609 | ILE | 0 | -0.056 | -0.018 | 37.334 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 610 | TYR | 0 | 0.015 | -0.033 | 38.727 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 611 | TYR | 0 | -0.060 | -0.035 | 32.143 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 612 | GLN | 0 | -0.023 | -0.038 | 34.684 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 613 | GLY | 0 | -0.021 | 0.000 | 36.035 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 614 | PRO | 0 | 0.000 | 0.002 | 33.764 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 615 | ILE | 0 | -0.043 | -0.008 | 29.347 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 616 | TRP | 0 | -0.003 | -0.034 | 26.781 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 617 | ALA | 0 | 0.022 | 0.003 | 33.896 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 618 | LYS | 1 | 0.837 | 0.929 | 31.749 | 0.825 | 0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 619 | ILE | 0 | -0.035 | -0.014 | 34.961 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 620 | PRO | 0 | -0.007 | -0.009 | 37.260 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 621 | HIS | 0 | 0.000 | -0.001 | 37.172 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 622 | ALA | 0 | -0.008 | -0.015 | 39.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 623 | ASP | -1 | -0.912 | -0.952 | 42.999 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 624 | GLY | 0 | -0.029 | -0.017 | 45.699 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 625 | HIS | 0 | -0.055 | -0.023 | 41.816 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 626 | PHE | 0 | -0.009 | -0.013 | 46.078 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 627 | HIS | 0 | -0.043 | -0.021 | 46.282 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 628 | PRO | 0 | 0.042 | 0.029 | 41.464 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 629 | SER | 0 | -0.006 | -0.008 | 40.982 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 630 | PRO | 0 | -0.019 | -0.005 | 37.969 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 631 | LEU | 0 | -0.004 | -0.009 | 41.047 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 632 | ILE | 0 | 0.010 | 0.005 | 38.999 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 633 | GLY | 0 | 0.018 | 0.010 | 40.519 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 634 | GLY | 0 | 0.015 | 0.015 | 36.888 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 635 | PHE | 0 | -0.039 | -0.050 | 34.246 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 636 | GLY | 0 | 0.038 | 0.025 | 35.906 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 637 | LEU | 0 | -0.032 | -0.013 | 31.341 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 638 | LYS | 1 | 0.965 | 1.002 | 34.858 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 639 | HIS | 0 | -0.075 | -0.038 | 30.143 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 640 | PRO | 0 | 0.040 | 0.052 | 30.001 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 641 | PRO | 0 | 0.018 | 0.025 | 25.129 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 642 | PRO | 0 | 0.017 | 0.028 | 22.218 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 643 | GLN | 0 | 0.044 | 0.021 | 23.602 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 644 | ILE | 0 | 0.004 | -0.005 | 17.590 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 645 | PHE | 0 | 0.015 | -0.001 | 20.302 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 646 | ILE | 0 | 0.004 | -0.009 | 14.927 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 647 | LYS | 1 | 0.897 | 0.958 | 17.654 | 2.361 | 2.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 648 | ASN | 0 | 0.008 | 0.020 | 17.063 | -0.643 | -0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 649 | THR | 0 | 0.007 | -0.016 | 15.115 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 650 | PRO | 0 | -0.036 | -0.012 | 17.998 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 651 | VAL | 0 | 0.020 | 0.015 | 17.954 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 652 | PRO | 0 | -0.021 | -0.012 | 20.908 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 653 | ALA | 0 | 0.010 | 0.010 | 23.870 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 654 | ASN | 0 | -0.009 | -0.018 | 26.438 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 655 | PRO | 0 | 0.005 | 0.019 | 27.280 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 656 | ALA | 0 | 0.009 | 0.001 | 30.234 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 657 | THR | 0 | -0.002 | -0.012 | 32.677 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 658 | THR | 0 | -0.034 | -0.007 | 34.369 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 659 | PHE | 0 | 0.011 | 0.002 | 32.650 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 660 | THR | 0 | 0.020 | -0.005 | 34.536 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 661 | ALA | 0 | 0.013 | 0.010 | 34.222 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 662 | ALA | 0 | -0.033 | 0.000 | 35.039 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 663 | ARG | 1 | 0.952 | 0.972 | 30.538 | 0.961 | 0.961 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 664 | VAL | 0 | 0.006 | 0.004 | 26.901 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 665 | ASP | -1 | -0.914 | -0.955 | 29.453 | -0.959 | -0.959 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 666 | SER | 0 | -0.013 | -0.004 | 29.193 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 667 | PHE | 0 | 0.006 | -0.005 | 24.357 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 668 | ILE | 0 | 0.008 | 0.005 | 21.508 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 669 | THR | 0 | -0.019 | 0.000 | 23.310 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 670 | GLN | 0 | 0.042 | 0.030 | 17.939 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 671 | TYR | 0 | -0.018 | 0.007 | 19.313 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 672 | SER | 0 | 0.007 | -0.012 | 14.632 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 673 | THR | 0 | -0.030 | -0.035 | 15.148 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 674 | GLY | 0 | 0.033 | 0.014 | 13.147 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 675 | GLN | 0 | 0.031 | 0.040 | 12.827 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 676 | VAL | 0 | -0.006 | 0.001 | 13.679 | -0.564 | -0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 677 | ALA | 0 | 0.021 | 0.021 | 15.707 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 678 | VAL | 0 | 0.000 | 0.001 | 17.233 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 679 | GLN | 0 | 0.001 | -0.003 | 19.317 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 680 | ILE | 0 | -0.006 | 0.001 | 21.745 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 681 | GLU | -1 | -0.868 | -0.914 | 24.993 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 682 | TRP | 0 | 0.027 | -0.012 | 27.239 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 683 | GLU | -1 | -0.813 | -0.894 | 30.996 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 684 | ILE | 0 | -0.030 | -0.020 | 34.017 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 685 | GLU | -1 | -0.921 | -0.951 | 37.050 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 686 | LYS | 1 | 0.992 | 0.989 | 40.745 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 687 | GLU | -1 | -0.822 | -0.891 | 42.024 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 688 | ARG | 1 | 0.839 | 0.915 | 42.915 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 689 | SER | 0 | -0.005 | 0.004 | 48.586 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 690 | LYS | 1 | 0.903 | 0.935 | 51.697 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 691 | ARG | 1 | 0.839 | 0.917 | 53.956 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 692 | TRP | 0 | -0.004 | 0.006 | 55.726 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 693 | ASN | 0 | 0.011 | 0.001 | 57.216 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 694 | PRO | 0 | 0.058 | 0.019 | 53.437 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 695 | GLU | -1 | -0.781 | -0.864 | 49.815 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 696 | VAL | 0 | 0.002 | 0.002 | 49.890 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 697 | GLN | 0 | -0.006 | -0.003 | 46.382 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 698 | PHE | 0 | 0.026 | 0.020 | 40.311 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 699 | THR | 0 | -0.002 | -0.017 | 44.385 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 700 | SER | 0 | 0.024 | 0.025 | 43.144 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 701 | ASN | 0 | -0.021 | -0.019 | 45.150 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 702 | TYR | 0 | 0.022 | 0.005 | 42.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 703 | GLY | 0 | 0.028 | 0.036 | 48.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 704 | ASN | 0 | -0.024 | -0.015 | 48.647 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 705 | GLN | 0 | -0.024 | -0.025 | 46.090 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 706 | SER | 0 | -0.006 | 0.004 | 46.992 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 707 | SER | 0 | 0.048 | 0.020 | 41.181 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 708 | MET | 0 | -0.029 | -0.005 | 38.965 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 709 | LEU | 0 | 0.006 | -0.001 | 40.250 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 710 | TRP | 0 | -0.014 | -0.032 | 36.588 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 711 | ALA | 0 | 0.008 | 0.012 | 35.245 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 712 | PRO | 0 | -0.008 | -0.012 | 32.543 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 713 | ASP | -1 | -0.793 | -0.855 | 35.457 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 714 | THR | 0 | -0.006 | -0.020 | 37.449 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 715 | THR | 0 | -0.149 | -0.090 | 37.909 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 716 | GLY | 0 | 0.017 | 0.014 | 33.904 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 717 | LYS | 1 | 0.943 | 0.978 | 33.324 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 718 | TYR | 0 | 0.028 | 0.017 | 32.582 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 719 | THR | 0 | -0.045 | -0.033 | 34.601 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 720 | GLU | -1 | -0.804 | -0.902 | 34.317 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 721 | PRO | 0 | -0.031 | -0.008 | 38.182 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 722 | ARG | 1 | 0.880 | 0.920 | 41.257 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 723 | VAL | 0 | 0.057 | 0.044 | 41.014 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 724 | ILE | 0 | -0.062 | -0.022 | 39.547 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 725 | GLY | 0 | 0.066 | 0.035 | 40.674 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 726 | SER | 0 | -0.035 | -0.082 | 40.687 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 727 | ARG | 1 | 0.791 | 0.892 | 42.450 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 728 | TYR | 0 | -0.005 | 0.002 | 43.786 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 729 | LEU | 0 | -0.019 | 0.006 | 44.776 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 730 | THR | 0 | -0.071 | -0.052 | 48.386 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 731 | ASN | 0 | 0.058 | 0.033 | 49.310 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 732 | HIS | 0 | -0.120 | -0.056 | 52.201 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 733 | LEU | -1 | -0.898 | -0.925 | 54.104 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |