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: 1J1JZ
Calculation Name: 7CDI-EHL-Xray193
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 7CDI
Chain ID: EHL
Base Structure: X-ray
Registration Date: 2021-02-01
Reference: K. Watanabe, K. Kato Y. Handa, Y. Kawashima, K. Fukuzawa, C. Watanabe, T. Honma, , To be published
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptHSide |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 616 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | None |
| Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -12364791.525439 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12126139.996034 |
| FMO2-HF: Total energy | -238651.529405 |
| FMO2-MP2: Total energy | -239345.851145 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-190 : frag 191-616)
| 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. |
| -290.5242 | -246.0255 | 184.0029 | -87.9532 | -140.5484 | 0.2351 |
Interactive mode: IFIE and PIEDA for fragment #1(E:333:THR )
Summations of interaction energy for
fragment #1(E:333: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. |
| -0.899 | 1.3 | 0.055 | -0.792 | -1.463 | 0.003 |
Interaction energy analysis for fragmet #1(E:333: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 | E | 335 | LEU | 0 | 0.046 | 0.025 | 3.803 | -0.618 | 0.853 | -0.008 | -0.610 | -0.854 | 0.003 |
| 4 | E | 361 | CYS | 0 | -0.048 | 0.007 | 4.237 | 1.514 | 1.636 | -0.002 | -0.025 | -0.096 | 0.000 |
| 5 | E | 337 | PRO | 0 | 0.031 | 0.033 | 8.666 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | E | 338 | PHE | 0 | 0.022 | -0.020 | 12.086 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | E | 339 | GLY | 0 | 0.029 | 0.014 | 14.064 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | E | 340 | GLU | -1 | -0.834 | -0.907 | 15.473 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | E | 341 | VAL | 0 | -0.016 | -0.005 | 16.564 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | E | 342 | PHE | 0 | 0.004 | -0.012 | 17.032 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | E | 343 | ASN | 0 | -0.040 | -0.022 | 19.600 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | E | 344 | ALA | 0 | 0.013 | 0.031 | 21.388 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | E | 345 | THR | 0 | 0.029 | -0.007 | 22.835 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | E | 346 | ARG | 1 | 0.910 | 0.960 | 26.129 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | E | 347 | PHE | 0 | 0.039 | 0.026 | 23.262 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | E | 348 | ALA | 0 | -0.008 | -0.004 | 27.519 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | E | 349 | SER | 0 | 0.031 | -0.003 | 29.285 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | E | 350 | VAL | 0 | 0.017 | 0.021 | 30.715 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | E | 351 | TYR | 0 | -0.007 | -0.005 | 31.637 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | E | 352 | ALA | 0 | -0.061 | -0.022 | 31.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | E | 353 | TRP | 0 | -0.022 | 0.006 | 24.437 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | E | 354 | ASN | 0 | 0.053 | 0.030 | 23.499 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | E | 355 | ARG | 1 | 0.813 | 0.871 | 20.806 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | E | 356 | LYS | 1 | 0.824 | 0.919 | 14.805 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | E | 357 | ARG | 1 | 0.902 | 0.945 | 15.031 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | E | 358 | ILE | 0 | -0.054 | -0.026 | 10.685 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | E | 359 | SER | 0 | 0.032 | 0.001 | 10.407 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | E | 360 | ASN | 0 | -0.013 | -0.021 | 6.533 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | E | 362 | VAL | 0 | 0.000 | 0.009 | 3.285 | -1.235 | -0.599 | 0.066 | -0.153 | -0.549 | 0.000 |
| 30 | E | 363 | ALA | 0 | 0.016 | -0.028 | 4.924 | 0.014 | -0.016 | -0.001 | -0.004 | 0.036 | 0.000 |
| 31 | E | 364 | ASP | -1 | -0.785 | -0.860 | 8.560 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | E | 365 | TYR | 0 | 0.064 | 0.005 | 10.999 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | E | 366 | SER | 0 | -0.067 | -0.047 | 14.267 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | E | 367 | VAL | 0 | 0.004 | -0.001 | 13.417 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | E | 368 | LEU | 0 | -0.034 | -0.012 | 15.402 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | E | 369 | TYR | 0 | -0.039 | -0.019 | 17.837 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | E | 370 | ASN | 0 | -0.011 | -0.023 | 19.066 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | E | 371 | SER | 0 | 0.002 | 0.022 | 20.417 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | E | 372 | ALA | 0 | -0.020 | -0.013 | 21.910 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | E | 373 | SER | 0 | -0.047 | -0.017 | 23.815 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | E | 374 | PHE | 0 | -0.016 | -0.012 | 20.873 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | E | 375 | SER | 0 | 0.013 | 0.007 | 26.602 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | E | 376 | THR | 0 | -0.084 | -0.044 | 27.894 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | E | 377 | PHE | 0 | 0.062 | 0.011 | 19.241 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | E | 378 | LYS | 1 | 0.896 | 0.961 | 25.372 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | E | 432 | CYS | 0 | -0.089 | -0.026 | 20.327 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | E | 380 | TYR | 0 | 0.033 | -0.002 | 24.219 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | E | 381 | GLY | 0 | 0.051 | 0.025 | 24.011 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | E | 382 | VAL | 0 | -0.001 | 0.006 | 19.017 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | E | 383 | SER | 0 | -0.009 | 0.002 | 21.521 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | E | 384 | PRO | 0 | 0.070 | 0.011 | 19.845 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | E | 385 | THR | 0 | -0.004 | -0.007 | 18.580 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | E | 386 | LYS | 1 | 0.795 | 0.893 | 17.656 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | E | 387 | LEU | 0 | 0.037 | 0.017 | 15.313 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | E | 388 | ASN | 0 | -0.015 | -0.013 | 12.491 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | E | 389 | ASP | -1 | -0.890 | -0.918 | 11.520 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | E | 390 | LEU | 0 | -0.014 | 0.003 | 12.334 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | E | 525 | CYS | 0 | -0.020 | -0.022 | 6.646 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | E | 392 | PHE | 0 | 0.025 | 0.010 | 11.655 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | E | 393 | THR | 0 | -0.042 | -0.019 | 12.093 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | E | 394 | ASN | 0 | -0.015 | -0.018 | 13.120 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | E | 395 | VAL | 0 | 0.023 | 0.019 | 12.687 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | E | 396 | TYR | 0 | -0.087 | -0.056 | 14.878 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | E | 397 | ALA | 0 | 0.025 | 0.007 | 16.770 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | E | 398 | ASP | -1 | -0.715 | -0.800 | 18.671 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | E | 399 | SER | 0 | -0.009 | 0.006 | 22.298 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | E | 400 | PHE | 0 | -0.038 | -0.026 | 24.194 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | E | 401 | VAL | 0 | 0.013 | 0.014 | 27.861 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | E | 402 | ILE | 0 | -0.019 | 0.005 | 30.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | E | 403 | ARG | 1 | 0.852 | 0.912 | 33.588 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | E | 404 | GLY | 0 | 0.042 | 0.027 | 35.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | E | 405 | ASP | -1 | -0.872 | -0.941 | 35.856 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | E | 406 | GLU | -1 | -0.851 | -0.924 | 35.885 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | E | 407 | VAL | 0 | 0.037 | 0.022 | 30.351 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | E | 408 | ARG | 1 | 0.874 | 0.941 | 32.099 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | E | 409 | GLN | 0 | 0.010 | -0.011 | 34.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | E | 410 | ILE | 0 | -0.055 | -0.007 | 27.811 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | E | 411 | ALA | 0 | 0.024 | -0.007 | 29.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | E | 412 | PRO | 0 | 0.021 | 0.026 | 29.171 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | E | 413 | GLY | 0 | 0.057 | 0.040 | 31.744 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | E | 414 | GLN | 0 | -0.068 | -0.015 | 34.195 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | E | 415 | THR | 0 | 0.007 | -0.006 | 36.538 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | E | 416 | GLY | 0 | 0.014 | 0.001 | 39.147 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | E | 417 | LYS | 1 | 0.908 | 0.953 | 39.372 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | E | 418 | ILE | 0 | -0.007 | 0.013 | 33.573 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | E | 419 | ALA | 0 | 0.080 | 0.043 | 34.299 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | E | 420 | ASP | -1 | -0.820 | -0.876 | 35.364 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | E | 421 | TYR | 0 | -0.015 | -0.018 | 37.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | E | 422 | ASN | 0 | -0.041 | -0.021 | 33.997 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | E | 423 | TYR | 0 | 0.027 | -0.029 | 24.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | E | 424 | LYS | 1 | 0.853 | 0.935 | 31.155 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | E | 425 | LEU | 0 | -0.001 | 0.011 | 26.170 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | E | 426 | PRO | 0 | -0.024 | -0.011 | 27.241 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | E | 427 | ASP | -1 | -0.848 | -0.946 | 29.859 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | E | 428 | ASP | -1 | -0.949 | -0.968 | 28.413 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | E | 429 | PHE | 0 | -0.072 | -0.030 | 23.075 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | E | 430 | THR | 0 | -0.009 | -0.008 | 22.512 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | E | 431 | GLY | 0 | 0.046 | 0.021 | 20.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | E | 433 | VAL | 0 | 0.015 | 0.011 | 22.128 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | E | 434 | ILE | 0 | -0.020 | -0.002 | 19.864 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | E | 435 | ALA | 0 | 0.021 | 0.005 | 24.219 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | E | 436 | TRP | 0 | 0.040 | 0.016 | 22.989 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | E | 437 | ASN | 0 | -0.016 | -0.002 | 28.617 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | E | 438 | SER | 0 | 0.022 | -0.016 | 29.837 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | E | 439 | ASN | 0 | 0.032 | 0.013 | 31.764 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | E | 440 | ASN | 0 | -0.005 | -0.009 | 31.132 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | E | 441 | LEU | 0 | 0.000 | 0.005 | 28.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | E | 442 | ASP | -1 | -0.740 | -0.792 | 31.049 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | E | 443 | SER | 0 | -0.051 | -0.025 | 34.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | E | 444 | LYS | 1 | 0.962 | 0.987 | 38.005 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | E | 445 | VAL | 0 | 0.070 | 0.018 | 40.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | E | 446 | GLY | 0 | -0.036 | -0.015 | 44.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | E | 447 | GLY | 0 | 0.048 | 0.045 | 43.507 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | E | 448 | ASN | 0 | -0.111 | -0.079 | 36.044 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | E | 449 | TYR | 0 | 0.061 | 0.024 | 39.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | E | 450 | ASN | 0 | -0.035 | -0.009 | 35.932 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | E | 451 | TYR | 0 | -0.031 | -0.031 | 30.968 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | E | 452 | LEU | 0 | -0.017 | -0.005 | 35.738 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | E | 453 | TYR | 0 | 0.014 | -0.003 | 35.916 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | E | 454 | ARG | 1 | 0.817 | 0.881 | 37.098 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | E | 455 | LEU | 0 | -0.014 | 0.004 | 39.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | E | 456 | PHE | 0 | -0.002 | 0.005 | 42.819 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | E | 457 | ARG | 1 | 0.807 | 0.878 | 37.420 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | E | 458 | LYS | 1 | 0.907 | 0.973 | 43.451 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | E | 459 | SER | 0 | -0.006 | 0.000 | 42.315 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | E | 460 | ASN | 0 | 0.067 | 0.021 | 38.447 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | E | 461 | LEU | 0 | -0.081 | -0.006 | 33.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | E | 462 | LYS | 1 | 0.907 | 0.944 | 33.714 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | E | 463 | PRO | 0 | 0.029 | -0.007 | 29.943 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | E | 464 | PHE | 0 | -0.016 | -0.005 | 24.432 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | E | 465 | GLU | -1 | -0.811 | -0.880 | 28.492 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | E | 466 | ARG | 1 | 0.863 | 0.916 | 25.573 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | E | 467 | ASP | -1 | -0.813 | -0.891 | 31.546 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | E | 468 | ILE | 0 | 0.050 | 0.011 | 32.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | E | 469 | SER | 0 | 0.011 | 0.023 | 35.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | E | 470 | THR | 0 | -0.007 | -0.014 | 39.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | E | 471 | GLU | -1 | -0.946 | -0.959 | 42.010 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | E | 472 | ILE | 0 | -0.024 | -0.012 | 44.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | E | 473 | TYR | 0 | -0.047 | -0.046 | 45.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | E | 474 | GLN | 0 | 0.056 | 0.010 | 48.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | E | 475 | ALA | 0 | -0.038 | -0.018 | 51.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | E | 476 | GLY | 0 | 0.030 | 0.005 | 53.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | E | 477 | SER | 0 | -0.002 | -0.003 | 55.579 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | E | 478 | THR | 0 | -0.018 | 0.003 | 57.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | E | 479 | PRO | 0 | -0.003 | -0.010 | 54.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | E | 488 | CYS | 0 | 0.014 | 0.040 | 52.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | E | 481 | ASN | 0 | -0.013 | -0.019 | 52.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | E | 482 | GLY | 0 | 0.017 | 0.012 | 50.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | E | 483 | VAL | 0 | -0.001 | 0.004 | 51.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | E | 484 | GLU | -1 | -0.870 | -0.935 | 49.909 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | E | 485 | GLY | 0 | 0.032 | 0.005 | 53.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | E | 486 | PHE | 0 | -0.020 | -0.009 | 55.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | E | 487 | ASN | 0 | -0.015 | -0.015 | 54.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | E | 489 | TYR | 0 | 0.071 | 0.045 | 49.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | E | 490 | PHE | 0 | 0.081 | 0.030 | 42.807 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | E | 491 | PRO | 0 | -0.054 | -0.015 | 42.596 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | E | 492 | LEU | 0 | -0.033 | -0.013 | 38.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | E | 493 | GLN | 0 | 0.031 | 0.022 | 41.561 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | E | 494 | SER | 0 | 0.004 | -0.007 | 40.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | E | 495 | TYR | 0 | -0.053 | -0.051 | 35.535 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | E | 496 | GLY | 0 | 0.033 | 0.023 | 40.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | E | 497 | PHE | 0 | -0.045 | -0.023 | 35.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | E | 498 | GLN | 0 | 0.015 | -0.011 | 40.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | E | 499 | PRO | 0 | 0.017 | 0.022 | 40.404 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | E | 500 | THR | 0 | 0.029 | -0.004 | 41.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | E | 501 | ASN | 0 | -0.059 | -0.017 | 41.266 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | E | 502 | GLY | 0 | 0.059 | 0.026 | 42.897 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | E | 503 | VAL | 0 | 0.042 | 0.010 | 38.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | E | 504 | GLY | 0 | 0.028 | 0.024 | 38.681 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | E | 505 | TYR | 0 | 0.024 | -0.007 | 39.302 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | E | 506 | GLN | 0 | -0.029 | -0.007 | 37.140 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | E | 507 | PRO | 0 | 0.011 | 0.015 | 33.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | E | 508 | TYR | 0 | -0.015 | -0.007 | 30.948 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | E | 509 | ARG | 1 | 0.780 | 0.884 | 26.153 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | E | 510 | VAL | 0 | -0.015 | -0.014 | 26.251 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | E | 511 | VAL | 0 | 0.002 | -0.015 | 19.646 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | E | 512 | VAL | 0 | -0.029 | -0.015 | 22.593 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | E | 513 | LEU | 0 | -0.017 | -0.002 | 16.247 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | E | 514 | SER | 0 | 0.015 | 0.000 | 19.050 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | E | 515 | PHE | 0 | 0.004 | -0.003 | 14.980 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | E | 516 | GLU | -1 | -0.747 | -0.855 | 17.029 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | E | 517 | LEU | 0 | -0.016 | -0.018 | 16.763 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | E | 518 | LEU | 0 | -0.013 | 0.004 | 18.900 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | E | 519 | HIS | 0 | 0.009 | -0.003 | 19.028 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | E | 520 | ALA | 0 | 0.020 | 0.003 | 16.946 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | E | 521 | PRO | 0 | -0.005 | 0.017 | 12.626 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | E | 522 | ALA | 0 | 0.023 | 0.008 | 11.302 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | E | 523 | THR | 0 | -0.051 | -0.016 | 7.816 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | E | 524 | VAL | 0 | 0.015 | 0.018 | 7.335 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | E | 526 | GLY | 0 | 0.048 | 0.043 | 7.259 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | H | 2 | VAL | 0 | -0.001 | 0.002 | 61.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | H | 3 | GLN | 0 | -0.067 | -0.043 | 64.157 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | H | 4 | LEU | 0 | -0.001 | -0.016 | 59.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | H | 5 | VAL | 0 | 0.024 | 0.014 | 64.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | H | 6 | GLU | -1 | -0.784 | -0.882 | 64.085 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | H | 7 | SER | 0 | -0.045 | -0.035 | 66.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | H | 8 | GLY | 0 | -0.005 | -0.008 | 67.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | H | 9 | GLY | 0 | 0.003 | 0.010 | 68.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | H | 10 | GLY | 0 | 0.033 | 0.010 | 69.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | H | 11 | LEU | 0 | -0.037 | -0.011 | 71.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | H | 12 | VAL | 0 | -0.023 | -0.008 | 68.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | H | 13 | GLN | 0 | 0.031 | 0.020 | 71.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | H | 14 | PRO | 0 | -0.001 | -0.016 | 68.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | H | 15 | GLY | 0 | -0.022 | -0.008 | 65.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | H | 16 | GLY | 0 | -0.026 | -0.003 | 66.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | H | 17 | SER | 0 | -0.040 | -0.036 | 63.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | H | 18 | LEU | 0 | 0.016 | 0.005 | 64.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | H | 19 | ARG | 1 | 0.930 | 0.980 | 60.230 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | H | 20 | LEU | 0 | 0.003 | 0.020 | 62.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | H | 21 | SER | 0 | 0.016 | -0.011 | 62.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | H | 95 | CYS | 0 | -0.025 | 0.006 | 59.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | H | 23 | ALA | 0 | 0.027 | 0.036 | 61.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | H | 24 | ALA | 0 | 0.032 | 0.019 | 60.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | H | 25 | SER | 0 | 0.000 | -0.006 | 62.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | H | 26 | GLY | 0 | 0.039 | 0.023 | 61.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | H | 27 | ILE | 0 | 0.003 | 0.002 | 56.454 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | H | 28 | THR | 0 | 0.008 | 0.007 | 54.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | H | 29 | VAL | 0 | 0.049 | 0.007 | 54.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | H | 30 | SER | 0 | -0.036 | -0.028 | 51.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | H | 31 | SER | 0 | -0.055 | -0.002 | 49.729 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | H | 32 | ASN | 0 | -0.034 | -0.021 | 49.976 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | H | 33 | TYR | 0 | -0.029 | -0.011 | 44.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | H | 34 | MET | 0 | -0.027 | 0.003 | 50.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | H | 35 | ASN | 0 | 0.044 | -0.002 | 52.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | H | 36 | TRP | 0 | 0.011 | 0.006 | 55.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | H | 37 | VAL | 0 | -0.026 | -0.017 | 57.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | H | 38 | ARG | 1 | 0.796 | 0.872 | 60.025 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | H | 39 | GLN | 0 | -0.022 | -0.002 | 63.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | H | 40 | ALA | 0 | 0.047 | 0.029 | 65.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | H | 41 | PRO | 0 | 0.060 | 0.010 | 68.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | H | 42 | GLY | 0 | 0.024 | 0.015 | 71.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | H | 43 | LYS | 1 | 0.837 | 0.925 | 66.796 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | H | 44 | GLY | 0 | 0.068 | 0.033 | 64.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | H | 45 | LEU | 0 | -0.036 | -0.008 | 61.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | H | 46 | GLU | -1 | -0.787 | -0.861 | 58.815 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | H | 47 | TRP | 0 | -0.020 | -0.026 | 50.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | H | 48 | VAL | 0 | 0.036 | 0.018 | 56.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | H | 49 | SER | 0 | -0.047 | -0.037 | 53.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | H | 50 | LEU | 0 | -0.012 | 0.019 | 48.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | H | 51 | ILE | 0 | -0.036 | -0.017 | 49.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | H | 52 | TYR | 0 | 0.028 | 0.004 | 42.496 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | H | 53 | SER | 0 | 0.022 | 0.010 | 46.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | H | 54 | GLY | 0 | 0.043 | 0.021 | 43.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | H | 55 | GLY | 0 | -0.044 | -0.013 | 43.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | H | 56 | SER | 0 | -0.025 | -0.031 | 41.813 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | H | 57 | THR | 0 | -0.025 | -0.005 | 44.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | H | 58 | TYR | 0 | 0.004 | 0.002 | 41.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | H | 59 | TYR | 0 | 0.007 | 0.001 | 48.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | H | 60 | ALA | 0 | 0.064 | 0.039 | 50.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | H | 61 | ASP | -1 | -0.847 | -0.947 | 50.873 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | H | 62 | SER | 0 | -0.056 | -0.016 | 53.496 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | H | 63 | VAL | 0 | 0.005 | -0.010 | 55.327 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | H | 64 | LYS | 1 | 0.925 | 0.982 | 47.473 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | H | 65 | GLY | 0 | -0.016 | 0.003 | 53.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | H | 66 | ARG | 1 | 0.732 | 0.839 | 53.924 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | H | 67 | PHE | 0 | 0.021 | -0.003 | 56.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | H | 68 | THR | 0 | -0.015 | -0.006 | 52.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | H | 69 | ILE | 0 | -0.009 | 0.012 | 51.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | H | 70 | SER | 0 | -0.001 | -0.003 | 52.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | H | 71 | ARG | 1 | 0.865 | 0.914 | 48.171 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | H | 72 | ASP | -1 | -0.736 | -0.837 | 55.423 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | H | 73 | ASN | 0 | 0.026 | -0.002 | 50.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | H | 74 | SER | 0 | -0.051 | -0.032 | 55.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | H | 75 | LYS | 1 | 0.892 | 0.928 | 58.359 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | H | 76 | ASN | 0 | -0.030 | 0.005 | 58.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | H | 77 | THR | 0 | -0.013 | -0.010 | 58.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | H | 78 | LEU | 0 | -0.022 | -0.005 | 55.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | H | 79 | TYR | 0 | -0.030 | -0.028 | 57.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | H | 80 | LEU | 0 | 0.023 | 0.005 | 57.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | H | 81 | GLN | 0 | -0.035 | -0.021 | 57.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | H | 82 | MET | 0 | -0.033 | -0.005 | 58.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | H | 83 | ASN | 0 | 0.065 | 0.017 | 58.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | H | 84 | SER | 0 | 0.020 | 0.000 | 60.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | H | 85 | LEU | 0 | -0.028 | 0.010 | 62.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | H | 86 | ARG | 1 | 0.948 | 0.965 | 59.707 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | H | 87 | ALA | 0 | 0.054 | 0.027 | 66.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | H | 88 | GLU | -1 | -0.831 | -0.929 | 64.596 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | H | 89 | ASP | -1 | -0.791 | -0.834 | 62.510 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | H | 90 | THR | 0 | 0.017 | 0.025 | 65.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | H | 91 | ALA | 0 | -0.011 | -0.006 | 65.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | H | 92 | VAL | 0 | -0.023 | 0.005 | 67.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | H | 93 | TYR | 0 | -0.041 | -0.048 | 61.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | H | 94 | HIS | 1 | 0.848 | 0.904 | 62.660 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | H | 96 | ALA | 0 | 0.030 | 0.005 | 57.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | H | 97 | ARG | 1 | 0.793 | 0.855 | 54.506 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | H | 98 | ASP | -1 | -0.798 | -0.887 | 51.685 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | H | 99 | LEU | 0 | -0.001 | 0.006 | 51.092 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | H | 100 | VAL | 0 | -0.056 | -0.024 | 46.611 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | H | 101 | VAL | 0 | -0.029 | -0.019 | 46.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | H | 102 | TYR | 0 | -0.035 | -0.041 | 48.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | H | 103 | GLY | 0 | 0.032 | 0.027 | 53.072 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | H | 104 | MET | 0 | -0.041 | -0.018 | 54.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | H | 105 | ASP | -1 | -0.737 | -0.863 | 56.963 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | H | 106 | VAL | 0 | -0.022 | -0.003 | 59.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | H | 107 | TRP | 0 | -0.016 | -0.028 | 59.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | H | 108 | GLY | 0 | 0.094 | 0.062 | 62.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | H | 109 | GLN | 0 | -0.002 | -0.007 | 65.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | H | 110 | GLY | 0 | -0.042 | -0.016 | 66.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | H | 111 | THR | 0 | 0.007 | 0.013 | 66.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | H | 112 | THR | 0 | -0.015 | -0.017 | 68.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | H | 113 | VAL | 0 | -0.010 | 0.000 | 66.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | H | 114 | THR | 0 | -0.013 | -0.017 | 69.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | H | 115 | VAL | 0 | 0.014 | 0.012 | 67.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | H | 116 | SER | 0 | -0.016 | -0.018 | 71.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | H | 117 | SER | 0 | 0.022 | 0.002 | 73.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | H | 118 | ALA | 0 | -0.008 | 0.021 | 75.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | H | 119 | SER | 0 | 0.021 | 0.004 | 78.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | H | 120 | THR | 0 | -0.041 | -0.023 | 81.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | H | 121 | LYS | 1 | 0.838 | 0.921 | 83.872 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | H | 122 | GLY | 0 | 0.078 | 0.039 | 86.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | H | 123 | PRO | 0 | -0.058 | -0.024 | 88.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | H | 124 | SER | 0 | -0.010 | -0.004 | 90.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | H | 125 | VAL | 0 | 0.002 | 0.000 | 92.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | H | 126 | PHE | 0 | 0.021 | 0.003 | 92.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | H | 127 | PRO | 0 | 0.010 | 0.004 | 95.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | H | 128 | LEU | 0 | -0.031 | -0.004 | 92.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | H | 129 | ALA | 0 | 0.038 | 0.015 | 97.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | H | 130 | PRO | 0 | 0.007 | 0.012 | 100.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | H | 131 | SER | 0 | 0.166 | 0.042 | 102.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | H | 132 | SER | 0 | -0.059 | -0.009 | 105.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | H | 133 | LYS | 1 | 0.866 | 0.924 | 101.886 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | H | 134 | SER | 0 | -0.049 | -0.034 | 100.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | H | 135 | THR | 0 | -0.009 | 0.015 | 101.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | H | 136 | SER | 0 | 0.007 | 0.006 | 101.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | H | 137 | GLY | 0 | 0.019 | -0.005 | 103.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | H | 138 | GLY | 0 | 0.012 | 0.018 | 104.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | H | 139 | THR | 0 | -0.046 | -0.022 | 98.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | H | 140 | ALA | 0 | 0.012 | 0.000 | 101.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | H | 141 | ALA | 0 | 0.008 | 0.016 | 96.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | H | 142 | LEU | 0 | -0.027 | -0.002 | 98.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | H | 143 | GLY | 0 | 0.047 | 0.001 | 95.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | H | 200 | CYS | 0 | -0.092 | -0.008 | 94.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | H | 145 | LEU | 0 | 0.025 | 0.013 | 89.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | H | 146 | VAL | 0 | -0.014 | 0.005 | 88.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | H | 147 | LYS | 1 | 0.895 | 0.910 | 87.317 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | H | 148 | ASP | -1 | -0.835 | -0.889 | 85.932 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | H | 149 | TYR | 0 | -0.018 | -0.021 | 83.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | H | 150 | PHE | 0 | -0.009 | 0.047 | 76.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | H | 151 | PRO | 0 | 0.051 | 0.004 | 79.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | H | 152 | GLU | -1 | -0.804 | -0.896 | 79.240 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | H | 153 | PRO | 0 | -0.011 | -0.010 | 80.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | H | 154 | VAL | 0 | 0.013 | -0.009 | 83.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | H | 155 | THR | 0 | -0.026 | -0.011 | 86.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | H | 156 | VAL | 0 | 0.008 | -0.010 | 88.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | H | 157 | SER | 0 | -0.019 | -0.002 | 91.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | H | 158 | TRP | 0 | 0.025 | -0.001 | 93.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | H | 159 | ASN | 0 | -0.014 | -0.026 | 97.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | H | 160 | SER | 0 | -0.028 | -0.024 | 98.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | H | 161 | GLY | 0 | -0.010 | -0.001 | 96.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | H | 162 | ALA | 0 | -0.012 | 0.014 | 97.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | H | 163 | LEU | 0 | -0.029 | -0.005 | 98.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | H | 164 | THR | 0 | 0.006 | -0.007 | 94.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | H | 165 | SER | 0 | -0.013 | -0.019 | 94.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | H | 166 | GLY | 0 | 0.063 | 0.032 | 94.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | H | 167 | VAL | 0 | -0.036 | -0.012 | 91.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | H | 168 | HIS | 0 | -0.002 | 0.004 | 88.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | H | 169 | THR | 0 | -0.004 | -0.002 | 86.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | H | 170 | PHE | 0 | -0.045 | -0.016 | 84.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | H | 171 | PRO | 0 | -0.004 | -0.007 | 79.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | H | 172 | ALA | 0 | 0.010 | 0.020 | 81.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | H | 173 | VAL | 0 | -0.033 | -0.011 | 79.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | H | 174 | LEU | 0 | -0.055 | -0.024 | 75.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | H | 175 | GLN | 0 | -0.039 | -0.035 | 78.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | H | 176 | SER | 0 | 0.074 | 0.024 | 78.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | H | 177 | SER | 0 | -0.053 | -0.028 | 78.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | H | 178 | GLY | 0 | 0.034 | 0.027 | 78.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | H | 179 | LEU | 0 | -0.059 | -0.022 | 78.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | H | 180 | TYR | 0 | 0.025 | 0.026 | 76.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | H | 181 | SER | 0 | 0.030 | -0.008 | 82.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | H | 182 | LEU | 0 | -0.032 | 0.007 | 84.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | H | 183 | SER | 0 | 0.058 | 0.019 | 86.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | H | 184 | SER | 0 | -0.018 | 0.003 | 88.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | H | 185 | VAL | 0 | 0.011 | -0.007 | 91.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | H | 186 | VAL | 0 | 0.035 | 0.014 | 93.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | H | 187 | THR | 0 | -0.046 | -0.024 | 95.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | H | 188 | VAL | 0 | -0.003 | 0.011 | 98.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | H | 189 | PRO | 0 | 0.040 | 0.001 | 101.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | H | 190 | SER | 0 | 0.037 | 0.021 | 104.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | H | 191 | SER | 0 | 0.010 | 0.003 | 106.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | H | 192 | SER | 0 | 0.019 | 0.006 | 105.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | H | 193 | LEU | 0 | 0.015 | -0.002 | 103.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | H | 194 | GLY | 0 | -0.007 | 0.003 | 107.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | H | 195 | THR | 0 | -0.081 | -0.032 | 110.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | H | 196 | GLN | 0 | 0.000 | 0.009 | 105.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | H | 197 | THR | 0 | 0.000 | 0.008 | 105.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | H | 198 | TYR | 0 | 0.017 | 0.004 | 101.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | H | 199 | ILE | 0 | 0.028 | 0.011 | 100.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | H | 201 | ASN | 0 | -0.027 | -0.030 | 95.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | H | 202 | VAL | 0 | 0.035 | 0.017 | 91.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | H | 203 | ASN | 0 | -0.045 | -0.029 | 90.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | H | 204 | HIS | 0 | 0.004 | -0.028 | 84.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | H | 205 | LYS | 1 | 0.996 | 0.991 | 86.568 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | H | 206 | PRO | 0 | 0.007 | 0.010 | 83.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | H | 207 | SER | 0 | 0.015 | -0.007 | 85.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | H | 208 | ASN | 0 | -0.058 | -0.020 | 88.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | H | 209 | THR | 0 | 0.013 | 0.033 | 91.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | H | 210 | LYS | 1 | 0.887 | 0.937 | 92.330 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | H | 211 | VAL | 0 | -0.018 | -0.009 | 95.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | H | 212 | ASP | -1 | -0.797 | -0.882 | 97.028 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | H | 213 | LYS | 1 | 0.846 | 0.913 | 98.626 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | H | 214 | LYS | 1 | 0.899 | 0.926 | 100.498 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | H | 215 | VAL | 0 | -0.050 | -0.025 | 99.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | H | 216 | GLU | -1 | -0.844 | -0.904 | 102.545 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | H | 217 | PRO | 0 | -0.018 | -0.003 | 104.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | L | 1 | GLU | -1 | -0.900 | -0.963 | 48.228 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | L | 2 | ILE | 0 | -0.063 | -0.024 | 47.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | L | 3 | VAL | 0 | 0.024 | 0.004 | 51.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | L | 4 | LEU | 0 | -0.010 | -0.013 | 54.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | L | 5 | THR | 0 | -0.010 | -0.008 | 57.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | L | 6 | GLN | 0 | -0.008 | -0.034 | 60.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | L | 7 | SER | 0 | -0.027 | 0.022 | 63.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | L | 8 | PRO | 0 | 0.081 | 0.031 | 65.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | L | 9 | GLY | 0 | 0.055 | 0.012 | 68.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | L | 10 | THR | 0 | -0.058 | -0.042 | 69.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | L | 11 | LEU | 0 | 0.004 | 0.009 | 70.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | L | 12 | SER | 0 | -0.005 | -0.025 | 73.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | L | 13 | LEU | 0 | -0.052 | -0.029 | 73.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | L | 14 | SER | 0 | 0.038 | 0.000 | 78.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | L | 15 | PRO | 0 | -0.028 | -0.020 | 78.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | L | 16 | GLY | 0 | 0.022 | 0.015 | 78.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | L | 17 | GLU | -1 | -0.824 | -0.892 | 76.854 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | L | 18 | ARG | 1 | 0.991 | 0.996 | 68.274 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | L | 19 | ALA | 0 | -0.010 | 0.009 | 70.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | L | 20 | THR | 0 | -0.019 | -0.027 | 65.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | L | 21 | LEU | 0 | 0.008 | 0.016 | 65.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | L | 22 | SER | 0 | 0.031 | 0.010 | 62.564 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | L | 89 | CYS | 0 | -0.086 | -0.013 | 58.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | L | 24 | ARG | 1 | 0.856 | 0.901 | 57.045 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | L | 25 | ALA | 0 | 0.003 | -0.001 | 52.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | L | 26 | SER | 0 | -0.001 | 0.007 | 52.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | L | 27 | GLN | 0 | -0.024 | -0.016 | 46.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | L | 28 | SER | 0 | 0.009 | -0.008 | 46.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | L | 29 | VAL | 0 | -0.038 | -0.009 | 47.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | L | 30 | SER | 0 | -0.010 | 0.010 | 45.484 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | L | 31 | SER | 0 | 0.098 | 0.021 | 47.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | L | 32 | SER | 0 | -0.048 | -0.020 | 46.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | L | 33 | TYR | 0 | -0.044 | -0.037 | 44.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | L | 34 | LEU | 0 | -0.016 | 0.022 | 50.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | L | 35 | ALA | 0 | 0.013 | 0.019 | 53.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | L | 36 | TRP | 0 | 0.009 | -0.007 | 56.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | L | 37 | TYR | 0 | -0.010 | -0.032 | 56.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | L | 38 | GLN | 0 | -0.027 | -0.017 | 62.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | L | 39 | GLN | 0 | -0.006 | -0.020 | 66.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | L | 40 | LYS | 1 | 0.894 | 0.950 | 68.744 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | L | 41 | PRO | 0 | 0.041 | 0.003 | 72.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | L | 42 | GLY | 0 | 0.000 | 0.006 | 73.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | L | 43 | GLN | 0 | -0.045 | -0.016 | 71.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | L | 44 | ALA | 0 | 0.020 | 0.013 | 66.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | L | 45 | PRO | 0 | -0.038 | -0.018 | 63.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | L | 46 | ARG | 1 | 0.957 | 0.990 | 64.793 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | L | 47 | LEU | 0 | -0.009 | 0.013 | 57.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | L | 48 | LEU | 0 | -0.035 | -0.023 | 61.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | L | 49 | ILE | 0 | -0.030 | -0.027 | 57.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | L | 50 | TYR | 0 | 0.038 | 0.021 | 53.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | L | 51 | GLY | 0 | 0.015 | 0.022 | 51.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | L | 52 | ALA | 0 | 0.029 | 0.007 | 52.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | L | 53 | SER | 0 | -0.031 | -0.023 | 55.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | L | 54 | SER | 0 | -0.018 | 0.010 | 55.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | L | 55 | ARG | 1 | 0.830 | 0.903 | 57.558 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | L | 56 | ALA | 0 | 0.014 | 0.018 | 59.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | L | 57 | THR | 0 | 0.051 | 0.009 | 60.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | L | 58 | GLY | 0 | -0.023 | -0.013 | 62.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | L | 59 | ILE | 0 | -0.077 | -0.018 | 63.786 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | L | 60 | PRO | 0 | 0.001 | -0.007 | 66.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | L | 61 | ASP | -1 | -0.793 | -0.904 | 67.217 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | L | 62 | ARG | 1 | 0.695 | 0.836 | 67.652 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | L | 63 | PHE | 0 | 0.020 | 0.015 | 65.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | L | 64 | SER | 0 | 0.038 | 0.015 | 63.039 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | L | 65 | GLY | 0 | -0.005 | 0.012 | 59.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | L | 66 | SER | 0 | -0.039 | -0.025 | 58.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | L | 67 | GLY | 0 | 0.058 | 0.019 | 56.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | L | 68 | SER | 0 | -0.048 | -0.030 | 51.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | L | 69 | GLY | 0 | 0.049 | 0.028 | 49.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | L | 70 | THR | 0 | 0.038 | 0.015 | 50.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | L | 71 | ASP | -1 | -0.825 | -0.860 | 53.382 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | L | 72 | PHE | 0 | 0.004 | -0.008 | 51.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | L | 73 | THR | 0 | -0.002 | -0.004 | 57.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | L | 74 | LEU | 0 | -0.026 | 0.012 | 61.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | L | 75 | THR | 0 | -0.028 | -0.029 | 63.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | L | 76 | ILE | 0 | 0.002 | 0.009 | 66.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | L | 77 | SER | 0 | -0.055 | -0.029 | 69.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | L | 78 | ARG | 1 | 0.854 | 0.900 | 71.252 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | L | 79 | LEU | 0 | -0.020 | -0.003 | 72.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | L | 80 | GLU | -1 | -0.767 | -0.859 | 75.373 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | L | 81 | PRO | 0 | 0.047 | 0.010 | 76.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | L | 82 | GLU | -1 | -0.834 | -0.904 | 74.473 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | L | 83 | ASP | -1 | -0.771 | -0.858 | 72.643 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | L | 84 | PHE | 0 | -0.026 | 0.009 | 72.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | L | 85 | ALA | 0 | -0.001 | -0.008 | 71.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | L | 86 | VAL | 0 | -0.011 | -0.004 | 67.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | L | 87 | TYR | 0 | -0.023 | -0.032 | 65.630 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | L | 88 | TYR | 0 | 0.003 | 0.020 | 61.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | L | 90 | GLN | 0 | 0.020 | 0.014 | 53.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | L | 91 | GLN | 0 | 0.043 | 0.033 | 48.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | L | 92 | TYR | 0 | -0.054 | -0.071 | 47.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | L | 93 | GLY | 0 | 0.037 | 0.035 | 46.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | L | 94 | SER | 0 | -0.024 | -0.019 | 43.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | L | 95 | SER | 0 | -0.031 | -0.021 | 45.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | L | 96 | PRO | 0 | -0.012 | -0.003 | 49.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | L | 97 | THR | 0 | -0.026 | 0.000 | 52.229 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | L | 98 | PHE | 0 | 0.011 | -0.014 | 54.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | L | 99 | GLY | 0 | 0.026 | 0.025 | 58.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | L | 100 | GLN | 0 | -0.025 | -0.023 | 60.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | L | 101 | GLY | 0 | -0.005 | -0.002 | 63.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | L | 102 | THR | 0 | -0.054 | -0.025 | 65.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | L | 103 | LYS | 1 | 0.860 | 0.925 | 68.041 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | L | 104 | LEU | 0 | -0.011 | 0.005 | 70.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | L | 105 | GLU | -1 | -0.829 | -0.864 | 73.367 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | L | 106 | ILE | 0 | 0.037 | 0.013 | 77.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | L | 107 | LYS | 1 | 0.835 | 0.932 | 79.515 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | L | 108 | ARG | 1 | 0.876 | 0.940 | 81.656 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | L | 109 | THR | 0 | 0.008 | -0.003 | 85.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | L | 110 | VAL | 0 | 0.005 | 0.012 | 85.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | L | 111 | ALA | 0 | -0.020 | -0.008 | 87.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | L | 112 | ALA | 0 | 0.018 | 0.009 | 89.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | L | 113 | PRO | 0 | 0.006 | 0.016 | 89.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | L | 114 | SER | 0 | -0.039 | -0.006 | 91.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | L | 115 | VAL | 0 | -0.004 | 0.003 | 92.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | L | 116 | PHE | 0 | -0.004 | -0.015 | 94.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | L | 117 | ILE | 0 | -0.018 | 0.010 | 94.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | L | 118 | PHE | 0 | -0.028 | -0.018 | 94.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | L | 119 | PRO | 0 | -0.002 | 0.001 | 95.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | L | 120 | PRO | 0 | 0.012 | 0.010 | 95.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | L | 121 | SER | 0 | 0.017 | 0.008 | 97.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | L | 122 | ASP | -1 | -0.793 | -0.922 | 99.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | L | 123 | GLU | -1 | -0.872 | -0.912 | 99.147 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | L | 124 | GLN | 0 | 0.017 | 0.036 | 91.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | L | 125 | LEU | 0 | 0.039 | 0.025 | 96.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | L | 126 | LYS | 1 | 0.837 | 0.921 | 98.764 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | L | 127 | SER | 0 | -0.083 | -0.046 | 95.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | L | 128 | GLY | 0 | 0.065 | 0.035 | 95.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | L | 129 | THR | 0 | -0.082 | -0.054 | 90.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | L | 130 | ALA | 0 | -0.022 | -0.005 | 92.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | L | 131 | SER | 0 | 0.008 | -0.019 | 90.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | L | 132 | VAL | 0 | -0.041 | -0.014 | 91.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | L | 133 | VAL | 0 | 0.027 | 0.026 | 90.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | L | 194 | CYS | 0 | -0.031 | -0.009 | 90.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | L | 135 | LEU | 0 | -0.046 | -0.008 | 89.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | L | 136 | LEU | 0 | 0.007 | -0.006 | 86.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | L | 137 | ASN | 0 | 0.002 | -0.029 | 89.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | L | 138 | ASN | 0 | 0.031 | 0.006 | 89.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | L | 139 | PHE | 0 | -0.012 | 0.007 | 83.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | L | 140 | TYR | 0 | 0.012 | -0.009 | 80.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | L | 141 | PRO | 0 | 0.059 | 0.025 | 80.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | L | 142 | ARG | 1 | 0.968 | 0.973 | 76.899 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | L | 143 | GLU | -1 | -0.978 | -0.975 | 77.967 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | L | 144 | ALA | 0 | 0.013 | 0.003 | 80.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | L | 145 | LYS | 1 | 0.926 | 0.969 | 80.729 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | L | 146 | VAL | 0 | 0.056 | 0.026 | 83.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | L | 147 | GLN | 0 | -0.003 | 0.011 | 84.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | L | 148 | TRP | 0 | 0.024 | 0.003 | 86.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | L | 149 | LYS | 1 | 0.850 | 0.916 | 88.803 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | L | 150 | VAL | 0 | -0.019 | -0.008 | 91.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | L | 151 | ASP | -1 | -0.800 | -0.895 | 93.553 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | L | 152 | ASN | 0 | -0.040 | -0.024 | 94.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | L | 153 | ALA | 0 | 0.019 | 0.026 | 90.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | L | 154 | LEU | 0 | -0.007 | -0.020 | 86.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | L | 155 | GLN | 0 | -0.031 | -0.002 | 86.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | L | 156 | SER | 0 | 0.006 | -0.005 | 80.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | L | 157 | GLY | 0 | 0.027 | 0.015 | 80.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | L | 158 | ASN | 0 | 0.000 | 0.001 | 81.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | L | 159 | SER | 0 | -0.005 | -0.010 | 82.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | L | 160 | GLN | 0 | -0.005 | -0.004 | 80.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | L | 161 | GLU | -1 | -0.869 | -0.939 | 81.048 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | L | 162 | SER | 0 | -0.045 | -0.028 | 80.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | L | 163 | VAL | 0 | -0.019 | -0.017 | 80.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | L | 164 | THR | 0 | 0.013 | 0.011 | 81.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | L | 165 | GLU | -1 | -0.880 | -0.950 | 77.645 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | L | 166 | GLN | 0 | -0.069 | -0.026 | 80.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | L | 167 | ASP | -1 | -0.811 | -0.911 | 82.416 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | L | 168 | SER | 0 | -0.063 | -0.024 | 84.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | L | 169 | LYS | 1 | 0.922 | 0.962 | 85.800 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | L | 170 | ASP | -1 | -0.785 | -0.867 | 89.180 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | L | 171 | SER | 0 | -0.010 | -0.004 | 84.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | L | 172 | THR | 0 | -0.095 | -0.066 | 84.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | L | 173 | TYR | 0 | -0.034 | -0.052 | 78.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | L | 174 | SER | 0 | 0.065 | 0.033 | 85.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | L | 175 | LEU | 0 | -0.046 | -0.016 | 82.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | L | 176 | SER | 0 | 0.032 | 0.018 | 85.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | L | 177 | SER | 0 | 0.042 | 0.021 | 85.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | L | 178 | THR | 0 | -0.016 | -0.021 | 85.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | L | 179 | LEU | 0 | -0.007 | 0.009 | 86.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | L | 180 | THR | 0 | -0.018 | -0.016 | 86.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | L | 181 | LEU | 0 | 0.005 | 0.009 | 87.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | L | 182 | SER | 0 | 0.068 | 0.036 | 90.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | L | 183 | LYS | 1 | 0.896 | 0.939 | 92.215 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | L | 184 | ALA | 0 | 0.018 | 0.003 | 94.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | L | 185 | ASP | -1 | -0.843 | -0.945 | 92.233 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | L | 186 | TYR | 0 | 0.050 | 0.028 | 94.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | L | 187 | GLU | -1 | -0.874 | -0.947 | 95.898 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | L | 188 | LYS | 1 | 0.856 | 0.941 | 92.829 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | L | 189 | HIS | 1 | 0.859 | 0.954 | 93.175 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | L | 190 | LYS | 1 | 0.874 | 0.934 | 98.248 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | L | 191 | VAL | 0 | -0.012 | -0.007 | 98.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | L | 192 | TYR | 0 | -0.023 | -0.012 | 93.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | L | 193 | ALA | 0 | 0.017 | -0.016 | 94.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | L | 195 | GLU | -1 | -0.866 | -0.937 | 89.819 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | L | 196 | VAL | 0 | 0.037 | 0.012 | 88.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | L | 197 | THR | 0 | -0.045 | -0.028 | 85.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | L | 198 | HIS | 0 | 0.028 | -0.015 | 85.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | L | 199 | GLN | 0 | 0.041 | 0.028 | 83.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | L | 200 | GLY | 0 | 0.002 | -0.009 | 86.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | L | 201 | LEU | 0 | -0.088 | -0.035 | 89.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | L | 202 | SER | 0 | 0.017 | 0.015 | 90.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | L | 203 | SER | 0 | 0.019 | 0.000 | 91.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | L | 204 | PRO | 0 | -0.032 | -0.015 | 89.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | L | 205 | VAL | 0 | 0.026 | 0.030 | 91.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | L | 206 | THR | 0 | 0.016 | 0.002 | 93.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | L | 207 | LYS | 1 | 0.899 | 0.971 | 95.082 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | L | 208 | SER | 0 | 0.042 | 0.008 | 96.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | L | 209 | PHE | 0 | -0.035 | -0.018 | 96.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | L | 210 | ASN | 0 | 0.004 | -0.004 | 100.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | L | 211 | ARG | 1 | 0.859 | 0.927 | 99.499 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | L | 212 | GLY | 0 | 0.006 | 0.006 | 102.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | L | 213 | GLU | -1 | -0.795 | -0.864 | 105.408 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | L | 214 | CYS | 0 | -0.033 | -0.018 | 106.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |