FMODB ID: 7J19K
Calculation Name: 7CDJ-EHL-Xray200
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 7CDJ
Chain ID: EHL
Base Structure: X-ray
Registration Date: 2021-03-15
Reference: K. Watanabe, K. Kato Y. Handa, Y. Kawashima, K. Fukuzawa, C. Watanabe, T. Honma, , To be published
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 617 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12223746.431948 |
---|---|
FMO2-HF: Nuclear repulsion | 11984674.811026 |
FMO2-HF: Total energy | -239071.620922 |
FMO2-MP2: Total energy | -239769.543308 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-190 : frag 191-617)
"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. |
-240.8973 | -211.0750 | 196.9541 | -93.4996 | -133.2768 | 0.0877 |
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. |
-0.517 | 1.851 | -0.017 | -1.115 | -1.236 | 0.004 |
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 | 0.030 | 0.020 | 3.875 | -0.562 | 1.419 | -0.014 | -1.073 | -0.894 | 0.004 |
4 | E | 361 | CYS | 0 | -0.101 | -0.040 | 4.779 | 0.559 | 0.684 | -0.002 | -0.013 | -0.110 | 0.000 |
5 | E | 337 | PRO | 0 | 0.034 | 0.034 | 9.676 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | E | 338 | PHE | 0 | 0.051 | -0.009 | 12.847 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | E | 339 | GLY | 0 | 0.063 | 0.036 | 14.591 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | E | 340 | GLU | -1 | -0.911 | -0.965 | 14.611 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | E | 341 | VAL | 0 | -0.071 | -0.039 | 17.138 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | E | 342 | PHE | 0 | 0.016 | -0.006 | 18.367 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | E | 343 | ASN | 0 | -0.005 | -0.001 | 20.157 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | E | 344 | ALA | 0 | 0.005 | 0.022 | 21.707 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | E | 345 | THR | 0 | 0.041 | 0.004 | 23.044 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | E | 346 | ARG | 1 | 0.929 | 0.967 | 26.235 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | E | 347 | PHE | 0 | 0.045 | 0.026 | 23.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | E | 348 | ALA | 0 | -0.005 | 0.007 | 27.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | E | 349 | SER | 0 | 0.026 | 0.005 | 29.706 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | E | 350 | VAL | 0 | 0.020 | 0.011 | 31.826 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | E | 351 | TYR | 0 | -0.013 | -0.007 | 32.317 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | E | 352 | ALA | 0 | -0.041 | -0.019 | 31.536 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | E | 353 | TRP | 0 | -0.032 | -0.003 | 25.263 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | E | 354 | ASN | 0 | 0.004 | 0.006 | 22.606 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | E | 355 | ARG | 1 | 0.813 | 0.891 | 21.338 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | E | 356 | LYS | 1 | 0.856 | 0.949 | 15.298 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | E | 357 | ARG | 1 | 0.902 | 0.941 | 14.359 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | E | 358 | ILE | 0 | -0.041 | -0.024 | 11.304 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | E | 359 | SER | 0 | 0.033 | -0.005 | 10.427 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | E | 360 | ASN | 0 | 0.010 | -0.004 | 6.186 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | E | 362 | VAL | 0 | 0.053 | 0.031 | 4.110 | -0.379 | -0.117 | -0.001 | -0.029 | -0.232 | 0.000 |
30 | E | 363 | ALA | 0 | -0.019 | -0.020 | 6.461 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | E | 364 | ASP | -1 | -0.795 | -0.875 | 9.544 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | E | 365 | TYR | 0 | 0.061 | 0.006 | 12.303 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | E | 366 | SER | 0 | 0.003 | 0.004 | 15.560 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | E | 367 | VAL | 0 | -0.048 | -0.024 | 14.579 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | E | 368 | LEU | 0 | -0.024 | -0.007 | 16.091 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | E | 369 | TYR | 0 | -0.032 | -0.017 | 18.492 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | E | 370 | ASN | 0 | -0.026 | -0.032 | 19.452 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | E | 371 | SER | 0 | 0.014 | 0.029 | 21.637 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | E | 372 | ALA | 0 | -0.010 | -0.014 | 22.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | E | 373 | SER | 0 | -0.020 | -0.003 | 25.629 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | E | 374 | PHE | 0 | -0.064 | -0.025 | 21.466 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | E | 375 | SER | 0 | 0.034 | 0.016 | 27.246 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | E | 376 | THR | 0 | -0.066 | -0.036 | 29.112 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | E | 377 | PHE | 0 | 0.090 | 0.045 | 20.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | E | 378 | LYS | 1 | 0.872 | 0.936 | 26.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | E | 432 | CYS | 0 | -0.090 | -0.024 | 21.567 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | E | 380 | TYR | 0 | 0.019 | -0.005 | 25.602 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | E | 381 | GLY | 0 | 0.055 | 0.034 | 25.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | E | 382 | VAL | 0 | -0.035 | -0.014 | 19.291 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | E | 383 | SER | 0 | -0.003 | 0.006 | 22.490 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | E | 384 | PRO | 0 | 0.058 | 0.008 | 20.434 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | E | 385 | THR | 0 | 0.004 | 0.005 | 19.137 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | E | 386 | LYS | 1 | 0.875 | 0.908 | 18.294 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | E | 387 | LEU | 0 | 0.011 | 0.019 | 16.165 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | E | 388 | ASN | 0 | -0.047 | -0.033 | 13.094 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | E | 389 | ASP | -1 | -0.883 | -0.920 | 12.688 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | E | 390 | LEU | 0 | -0.007 | 0.001 | 13.645 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | E | 525 | CYS | 0 | -0.041 | -0.018 | 7.175 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | E | 392 | PHE | 0 | 0.052 | 0.016 | 12.105 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | E | 393 | THR | 0 | -0.022 | 0.000 | 12.131 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | E | 394 | ASN | 0 | -0.012 | 0.001 | 12.953 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | E | 395 | VAL | 0 | 0.025 | 0.022 | 13.374 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | E | 396 | TYR | 0 | -0.080 | -0.057 | 15.450 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | E | 397 | ALA | 0 | 0.024 | 0.010 | 17.819 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | E | 398 | ASP | -1 | -0.727 | -0.804 | 19.661 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | E | 399 | SER | 0 | -0.007 | -0.005 | 23.138 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | E | 400 | PHE | 0 | -0.034 | -0.029 | 24.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | E | 401 | VAL | 0 | 0.028 | 0.018 | 28.776 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | E | 402 | ILE | 0 | -0.019 | 0.003 | 31.871 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | E | 403 | ARG | 1 | 0.904 | 0.932 | 34.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | E | 404 | GLY | 0 | 0.057 | 0.034 | 36.544 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | E | 405 | ASP | -1 | -0.860 | -0.933 | 37.571 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | E | 406 | GLU | -1 | -0.850 | -0.902 | 37.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | E | 407 | VAL | 0 | 0.022 | 0.018 | 32.217 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | E | 408 | ARG | 1 | 0.880 | 0.931 | 33.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | E | 409 | GLN | 0 | 0.039 | 0.015 | 35.873 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | E | 410 | ILE | 0 | -0.045 | -0.005 | 29.227 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | E | 411 | ALA | 0 | 0.031 | 0.000 | 30.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | E | 412 | PRO | 0 | 0.027 | 0.024 | 30.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | E | 413 | GLY | 0 | 0.044 | 0.021 | 32.837 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | E | 414 | GLN | 0 | -0.138 | -0.046 | 35.298 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | E | 415 | THR | 0 | 0.018 | 0.005 | 37.582 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | E | 416 | GLY | 0 | -0.028 | -0.028 | 40.398 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | E | 417 | LYS | 1 | 0.857 | 0.926 | 40.128 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | E | 418 | ILE | 0 | 0.002 | 0.005 | 34.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | E | 419 | ALA | 0 | 0.071 | 0.039 | 35.410 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | E | 420 | ASP | -1 | -0.772 | -0.860 | 36.453 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | E | 421 | TYR | 0 | -0.045 | -0.024 | 38.637 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | E | 422 | ASN | 0 | -0.046 | -0.021 | 34.908 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | E | 423 | TYR | 0 | 0.020 | -0.033 | 25.721 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | E | 424 | LYS | 1 | 0.876 | 0.947 | 32.214 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | E | 425 | LEU | 0 | 0.008 | 0.014 | 27.194 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | E | 426 | PRO | 0 | -0.005 | 0.002 | 28.326 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | E | 427 | ASP | -1 | -0.847 | -0.954 | 30.579 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | E | 428 | ASP | -1 | -0.927 | -0.954 | 28.991 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | E | 429 | PHE | 0 | -0.043 | -0.025 | 23.867 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | E | 430 | THR | 0 | 0.034 | 0.017 | 22.278 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | E | 431 | GLY | 0 | 0.026 | -0.005 | 21.680 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | E | 433 | VAL | 0 | 0.007 | 0.012 | 23.409 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | E | 434 | ILE | 0 | -0.014 | -0.002 | 21.237 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | E | 435 | ALA | 0 | 0.003 | -0.003 | 25.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | E | 436 | TRP | 0 | 0.007 | -0.001 | 23.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | E | 437 | ASN | 0 | -0.020 | -0.005 | 29.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | E | 438 | SER | 0 | 0.015 | -0.023 | 30.571 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | E | 439 | ASN | 0 | 0.023 | 0.003 | 32.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | E | 440 | ASN | 0 | -0.021 | -0.005 | 31.715 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | E | 441 | LEU | 0 | -0.017 | 0.004 | 29.123 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | E | 442 | ASP | -1 | -0.732 | -0.793 | 31.697 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | E | 443 | SER | 0 | -0.034 | -0.017 | 34.749 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | E | 444 | LYS | 1 | 0.886 | 0.945 | 38.548 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | E | 445 | VAL | 0 | 0.033 | 0.007 | 41.325 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | E | 446 | GLY | 0 | -0.004 | -0.002 | 44.914 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | E | 447 | GLY | 0 | 0.040 | 0.022 | 44.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | E | 448 | ASN | 0 | -0.095 | -0.070 | 36.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | E | 449 | TYR | 0 | -0.028 | -0.031 | 40.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | E | 450 | ASN | 0 | 0.010 | 0.006 | 36.692 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | E | 451 | TYR | 0 | -0.058 | -0.033 | 31.695 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | E | 452 | LEU | 0 | -0.004 | -0.013 | 36.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | E | 453 | TYR | 0 | 0.036 | 0.017 | 36.650 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | E | 454 | ARG | 1 | 0.812 | 0.882 | 37.743 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | E | 455 | LEU | 0 | -0.024 | 0.000 | 40.351 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | E | 456 | PHE | 0 | -0.021 | -0.016 | 43.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | E | 457 | ARG | 1 | 0.791 | 0.866 | 37.978 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | E | 458 | LYS | 1 | 0.880 | 0.929 | 43.942 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | E | 459 | SER | 0 | 0.021 | 0.019 | 41.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | E | 460 | ASN | 0 | -0.036 | -0.038 | 39.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | E | 461 | LEU | 0 | -0.080 | -0.017 | 34.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | E | 462 | LYS | 1 | 0.944 | 0.971 | 34.390 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | E | 463 | PRO | 0 | 0.030 | -0.007 | 30.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | E | 464 | PHE | 0 | -0.016 | -0.005 | 25.423 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | E | 465 | GLU | -1 | -0.821 | -0.880 | 29.125 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | E | 466 | ARG | 1 | 0.842 | 0.919 | 26.230 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | E | 467 | ASP | -1 | -0.755 | -0.825 | 32.268 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | E | 468 | ILE | 0 | 0.041 | 0.011 | 33.063 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | E | 469 | SER | 0 | -0.041 | -0.029 | 36.250 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | E | 470 | THR | 0 | 0.003 | -0.009 | 39.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | E | 471 | GLU | -1 | -0.829 | -0.892 | 42.636 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | E | 472 | ILE | 0 | -0.038 | -0.024 | 45.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | E | 473 | TYR | 0 | 0.006 | 0.013 | 46.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | E | 474 | GLN | 0 | -0.016 | -0.027 | 48.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | E | 475 | ALA | 0 | -0.052 | -0.022 | 51.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | E | 476 | GLY | 0 | 0.018 | 0.019 | 53.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | E | 477 | SER | 0 | 0.025 | -0.004 | 56.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | E | 478 | THR | 0 | -0.026 | 0.000 | 58.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | E | 479 | PRO | 0 | 0.031 | 0.007 | 56.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | E | 488 | CYS | 0 | 0.041 | 0.033 | 53.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | E | 481 | ASN | 0 | -0.042 | -0.019 | 54.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | E | 482 | GLY | 0 | 0.005 | 0.010 | 51.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | E | 483 | VAL | 0 | -0.002 | 0.002 | 51.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | E | 484 | GLU | -1 | -0.729 | -0.799 | 50.250 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | E | 485 | GLY | 0 | 0.007 | -0.008 | 53.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | E | 486 | PHE | 0 | -0.001 | 0.004 | 55.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | E | 487 | ASN | 0 | -0.035 | -0.028 | 55.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | E | 489 | TYR | 0 | 0.048 | 0.034 | 49.994 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | E | 490 | PHE | 0 | 0.048 | 0.005 | 43.114 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | E | 491 | PRO | 0 | -0.033 | -0.003 | 43.066 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | E | 492 | LEU | 0 | -0.018 | -0.005 | 39.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | E | 493 | GLN | 0 | 0.005 | 0.002 | 42.456 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | E | 494 | SER | 0 | -0.030 | -0.040 | 41.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | E | 495 | TYR | 0 | -0.043 | -0.055 | 36.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | E | 496 | GLY | 0 | -0.003 | 0.001 | 41.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | E | 497 | PHE | 0 | -0.002 | -0.004 | 36.596 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | E | 498 | GLN | 0 | -0.022 | -0.035 | 41.287 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | E | 499 | PRO | 0 | 0.017 | 0.018 | 40.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | E | 500 | THR | 0 | 0.001 | -0.012 | 41.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | E | 501 | ASN | 0 | -0.005 | 0.015 | 42.643 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | E | 502 | GLY | 0 | 0.086 | 0.043 | 43.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | E | 503 | VAL | 0 | 0.038 | 0.005 | 39.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | E | 504 | GLY | 0 | 0.042 | 0.032 | 39.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | E | 505 | TYR | 0 | -0.086 | -0.073 | 40.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | E | 506 | GLN | 0 | -0.018 | 0.004 | 38.094 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | E | 507 | PRO | 0 | -0.017 | 0.001 | 34.536 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | E | 508 | TYR | 0 | 0.008 | -0.005 | 32.252 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | E | 509 | ARG | 1 | 0.770 | 0.873 | 26.690 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | E | 510 | VAL | 0 | 0.003 | -0.008 | 27.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | E | 511 | VAL | 0 | 0.007 | -0.009 | 20.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | E | 512 | VAL | 0 | -0.026 | -0.005 | 23.693 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | E | 513 | LEU | 0 | -0.009 | 0.004 | 17.581 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | E | 514 | SER | 0 | 0.028 | 0.002 | 20.093 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | E | 515 | PHE | 0 | -0.014 | -0.005 | 15.884 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | E | 516 | GLU | -1 | -0.802 | -0.875 | 17.365 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | E | 517 | LEU | 0 | -0.002 | -0.013 | 16.621 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | E | 518 | LEU | 0 | 0.007 | 0.009 | 18.222 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | E | 519 | HIS | 0 | 0.036 | 0.003 | 18.515 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | E | 520 | ALA | 0 | -0.025 | 0.010 | 15.756 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | E | 521 | PRO | 0 | 0.034 | 0.006 | 11.793 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | E | 522 | ALA | 0 | 0.010 | 0.010 | 11.034 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | E | 523 | THR | 0 | -0.078 | -0.053 | 8.177 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | E | 524 | VAL | 0 | -0.001 | 0.007 | 7.523 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | E | 526 | GLY | 0 | 0.036 | 0.027 | 8.678 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | H | 1 | GLN | 0 | 0.012 | -0.011 | 66.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 2 | VAL | 0 | -0.050 | -0.016 | 63.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 3 | GLN | 0 | -0.032 | -0.012 | 64.560 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 4 | LEU | 0 | 0.018 | 0.002 | 61.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 5 | VAL | 0 | -0.011 | -0.003 | 63.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 6 | GLU | -1 | -0.786 | -0.907 | 63.634 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 7 | SER | 0 | -0.058 | -0.035 | 63.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 8 | GLY | 0 | 0.024 | 0.019 | 63.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 9 | GLY | 0 | 0.002 | -0.014 | 64.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 10 | GLY | 0 | 0.000 | -0.008 | 66.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 11 | LEU | 0 | -0.031 | -0.004 | 69.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 12 | VAL | 0 | -0.038 | -0.016 | 64.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 13 | LYS | 1 | 0.992 | 0.991 | 67.129 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 14 | PRO | 0 | 0.021 | 0.005 | 66.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 15 | GLY | 0 | -0.015 | 0.000 | 63.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 16 | GLY | 0 | -0.017 | -0.003 | 61.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 17 | SER | 0 | -0.012 | -0.023 | 57.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 18 | LEU | 0 | -0.039 | -0.002 | 60.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 19 | ARG | 1 | 0.902 | 0.975 | 53.665 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 20 | LEU | 0 | -0.011 | 0.004 | 59.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 21 | SER | 0 | 0.001 | -0.020 | 58.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 96 | CYS | 0 | -0.062 | 0.002 | 59.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 23 | ALA | 0 | 0.004 | 0.009 | 59.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 24 | ALA | 0 | 0.014 | 0.011 | 58.282 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 25 | SER | 0 | 0.041 | 0.004 | 59.551 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 26 | GLY | 0 | 0.020 | 0.007 | 61.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | H | 27 | PHE | 0 | -0.024 | -0.021 | 58.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | H | 28 | THR | 0 | 0.031 | 0.025 | 53.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | H | 29 | PHE | 0 | 0.014 | 0.002 | 53.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | H | 30 | SER | 0 | -0.002 | -0.008 | 50.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | H | 31 | ASP | -1 | -0.853 | -0.926 | 51.115 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | H | 32 | TYR | 0 | -0.058 | -0.045 | 53.178 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | H | 33 | TYR | 0 | -0.021 | -0.025 | 50.549 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | H | 34 | MET | 0 | -0.043 | -0.003 | 55.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | H | 35 | SER | 0 | 0.040 | -0.017 | 56.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | H | 36 | TRP | 0 | -0.057 | -0.026 | 57.221 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | H | 37 | ILE | 0 | -0.006 | -0.004 | 60.795 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | H | 38 | ARG | 1 | 0.766 | 0.848 | 64.121 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | H | 39 | GLN | 0 | -0.002 | 0.010 | 66.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | H | 40 | ALA | 0 | 0.060 | 0.038 | 70.549 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | H | 41 | PRO | 0 | 0.019 | -0.008 | 72.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | H | 42 | GLY | 0 | 0.009 | 0.020 | 76.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | H | 43 | LYS | 1 | 0.837 | 0.912 | 73.806 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | H | 44 | GLY | 0 | 0.073 | 0.033 | 72.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | H | 45 | LEU | 0 | -0.020 | -0.002 | 68.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | H | 46 | GLU | -1 | -0.764 | -0.831 | 64.673 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | H | 47 | TRP | 0 | 0.025 | -0.004 | 56.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | H | 48 | VAL | 0 | -0.021 | -0.008 | 59.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | H | 49 | SER | 0 | -0.027 | -0.039 | 55.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | H | 50 | TYR | 0 | -0.035 | -0.032 | 51.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | H | 51 | ILE | 0 | -0.012 | -0.004 | 49.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | H | 52 | SER | 0 | 0.033 | 0.013 | 47.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | H | 53 | SER | 0 | 0.013 | 0.025 | 49.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | H | 54 | SER | 0 | 0.014 | 0.009 | 45.316 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | H | 55 | GLY | 0 | 0.005 | 0.006 | 45.969 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | H | 56 | SER | 0 | -0.049 | -0.014 | 43.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | H | 57 | THR | 0 | -0.010 | -0.016 | 44.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | H | 58 | ILE | 0 | -0.017 | -0.011 | 47.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | H | 59 | TYR | 0 | 0.008 | 0.018 | 48.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | H | 60 | TYR | 0 | 0.013 | 0.010 | 50.677 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | H | 61 | ALA | 0 | 0.074 | 0.040 | 55.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | H | 62 | ASP | -1 | -0.814 | -0.907 | 57.643 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | H | 63 | SER | 0 | -0.046 | -0.023 | 59.253 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | H | 64 | VAL | 0 | -0.015 | -0.025 | 57.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | H | 65 | LYS | 1 | 0.848 | 0.922 | 53.406 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | H | 66 | GLY | 0 | -0.007 | 0.004 | 52.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | H | 67 | ARG | 1 | 0.731 | 0.843 | 53.521 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | H | 68 | PHE | 0 | 0.006 | -0.012 | 56.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | H | 69 | THR | 0 | -0.016 | -0.009 | 50.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | H | 70 | ILE | 0 | 0.004 | 0.016 | 52.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | H | 71 | SER | 0 | -0.007 | -0.013 | 50.290 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | H | 72 | ARG | 1 | 0.821 | 0.897 | 49.992 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | H | 73 | ASP | -1 | -0.819 | -0.859 | 49.597 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | H | 74 | ASN | 0 | 0.066 | 0.022 | 48.520 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | H | 75 | ALA | 0 | -0.014 | 0.017 | 48.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | H | 76 | LYS | 1 | 0.878 | 0.928 | 50.439 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | H | 77 | ASN | 0 | 0.004 | 0.013 | 53.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | H | 78 | SER | 0 | -0.052 | -0.030 | 54.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | H | 79 | LEU | 0 | 0.039 | 0.026 | 54.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | H | 80 | TYR | 0 | -0.013 | -0.031 | 53.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | H | 81 | LEU | 0 | 0.032 | 0.018 | 55.564 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | H | 82 | GLN | 0 | -0.035 | -0.015 | 54.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | H | 83 | MET | 0 | -0.010 | 0.006 | 56.394 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | H | 84 | ASN | 0 | 0.054 | 0.004 | 54.814 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | H | 85 | SER | 0 | 0.015 | 0.012 | 58.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | H | 86 | LEU | 0 | -0.045 | -0.002 | 60.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | H | 87 | ARG | 1 | 0.919 | 0.949 | 61.869 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | H | 88 | ALA | 0 | 0.047 | 0.022 | 66.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | H | 89 | GLU | -1 | -0.825 | -0.932 | 67.379 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | H | 90 | ASP | -1 | -0.779 | -0.827 | 64.314 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | H | 91 | THR | 0 | -0.003 | 0.016 | 67.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | H | 92 | ALA | 0 | 0.000 | -0.003 | 68.316 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | H | 93 | VAL | 0 | -0.026 | -0.005 | 69.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | H | 94 | TYR | 0 | -0.040 | -0.040 | 63.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | H | 95 | TYR | 0 | 0.045 | 0.013 | 65.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | H | 97 | ALA | 0 | 0.044 | 0.010 | 61.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | H | 98 | ARG | 1 | 0.837 | 0.928 | 59.616 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | H | 99 | ASP | -1 | -0.777 | -0.847 | 58.472 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | H | 100 | PHE | 0 | 0.022 | -0.012 | 55.036 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | H | 101 | SER | 0 | 0.015 | 0.010 | 55.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | H | 102 | HIS | 0 | 0.005 | -0.019 | 49.960 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | H | 103 | GLN | 0 | -0.031 | -0.016 | 54.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | H | 104 | GLN | 0 | 0.017 | 0.029 | 57.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | H | 105 | LEU | 0 | 0.007 | 0.024 | 60.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | H | 106 | VAL | 0 | -0.019 | -0.011 | 62.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | H | 107 | PRO | 0 | 0.062 | 0.034 | 63.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | H | 108 | SER | 0 | -0.048 | -0.032 | 64.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | H | 109 | TRP | 0 | 0.028 | 0.005 | 64.330 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | H | 110 | GLY | 0 | 0.052 | 0.039 | 65.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | H | 111 | GLN | 0 | -0.061 | -0.043 | 66.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | H | 112 | GLY | 0 | 0.035 | 0.021 | 67.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | H | 113 | THR | 0 | -0.065 | -0.037 | 66.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | H | 114 | LEU | 0 | 0.003 | 0.003 | 68.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | H | 115 | VAL | 0 | 0.001 | 0.019 | 65.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | H | 116 | THR | 0 | -0.002 | -0.023 | 68.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | H | 117 | VAL | 0 | 0.007 | 0.010 | 67.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | H | 118 | SER | 0 | -0.008 | -0.008 | 69.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | H | 119 | SER | 0 | 0.044 | -0.003 | 71.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | H | 120 | ALA | 0 | -0.016 | 0.018 | 73.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | H | 121 | SER | 0 | 0.014 | -0.011 | 75.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | H | 122 | THR | 0 | -0.059 | -0.037 | 74.614 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | H | 123 | LYS | 1 | 0.850 | 0.913 | 76.886 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | H | 124 | GLY | 0 | 0.066 | 0.038 | 80.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | H | 125 | PRO | 0 | -0.028 | -0.022 | 82.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | H | 126 | SER | 0 | -0.058 | -0.007 | 85.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | H | 127 | VAL | 0 | 0.011 | 0.005 | 87.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | H | 128 | PHE | 0 | 0.028 | 0.014 | 90.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | H | 129 | PRO | 0 | 0.054 | 0.021 | 94.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | H | 130 | LEU | 0 | -0.071 | -0.022 | 95.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | H | 131 | ALA | 0 | 0.046 | 0.016 | 98.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | H | 132 | PRO | 0 | 0.042 | 0.024 | 101.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | H | 133 | SER | 0 | -0.054 | -0.036 | 103.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | H | 134 | SER | 0 | 0.054 | 0.033 | 106.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | H | 135 | LYS | 1 | 0.919 | 0.967 | 106.266 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | H | 136 | SER | 0 | -0.041 | -0.028 | 109.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | H | 137 | THR | 0 | 0.013 | 0.004 | 111.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | H | 138 | SER | 0 | -0.005 | 0.012 | 112.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | H | 139 | GLY | 0 | -0.038 | -0.007 | 109.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | H | 140 | GLY | 0 | 0.013 | 0.006 | 109.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | H | 141 | THR | 0 | -0.022 | -0.023 | 103.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | H | 142 | ALA | 0 | -0.015 | -0.001 | 103.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | H | 143 | ALA | 0 | -0.011 | 0.000 | 100.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | H | 144 | LEU | 0 | -0.009 | 0.008 | 96.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | H | 145 | GLY | 0 | 0.042 | -0.001 | 95.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | H | 202 | CYS | 0 | -0.092 | -0.016 | 90.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | H | 147 | LEU | 0 | 0.007 | 0.022 | 92.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | H | 148 | VAL | 0 | -0.012 | -0.010 | 85.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | H | 149 | LYS | 1 | 0.895 | 0.932 | 88.003 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | H | 150 | ASP | -1 | -0.773 | -0.873 | 86.597 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | H | 151 | TYR | 0 | -0.018 | -0.035 | 80.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | H | 152 | PHE | 0 | 0.038 | 0.020 | 75.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | H | 153 | PRO | 0 | 0.011 | 0.020 | 74.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | H | 154 | GLU | -1 | -0.790 | -0.879 | 77.141 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | H | 155 | PRO | 0 | -0.048 | -0.022 | 75.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | H | 156 | VAL | 0 | 0.009 | -0.001 | 78.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | H | 157 | THR | 0 | -0.038 | -0.015 | 78.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | H | 158 | VAL | 0 | 0.018 | 0.008 | 81.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | H | 159 | SER | 0 | -0.061 | -0.029 | 84.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | H | 160 | TRP | 0 | 0.037 | 0.023 | 86.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | H | 161 | ASN | 0 | 0.024 | -0.003 | 89.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | H | 162 | SER | 0 | 0.013 | -0.005 | 85.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | H | 163 | GLY | 0 | -0.019 | -0.002 | 85.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | H | 164 | ALA | 0 | -0.022 | -0.002 | 86.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | H | 165 | LEU | 0 | -0.037 | -0.007 | 89.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | H | 166 | THR | 0 | 0.012 | -0.010 | 86.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | H | 167 | SER | 0 | -0.020 | -0.004 | 89.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | H | 168 | GLY | 0 | 0.063 | 0.022 | 92.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | H | 169 | VAL | 0 | -0.026 | -0.005 | 89.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | H | 170 | HIS | 1 | 0.859 | 0.936 | 90.779 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | H | 171 | THR | 0 | 0.030 | 0.022 | 85.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | H | 172 | PHE | 0 | -0.027 | 0.000 | 88.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | H | 173 | PRO | 0 | 0.003 | -0.007 | 84.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | H | 174 | ALA | 0 | 0.007 | 0.026 | 83.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | H | 175 | VAL | 0 | -0.013 | -0.004 | 85.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | H | 176 | LEU | 0 | -0.007 | -0.004 | 81.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | H | 177 | GLN | 0 | -0.042 | -0.021 | 85.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | H | 178 | SER | 0 | 0.022 | 0.007 | 86.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | H | 179 | SER | 0 | -0.001 | 0.000 | 87.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | H | 180 | GLY | 0 | 0.012 | 0.009 | 83.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | H | 181 | LEU | 0 | -0.056 | -0.014 | 82.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | H | 182 | TYR | 0 | 0.014 | 0.007 | 79.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | H | 183 | SER | 0 | 0.007 | 0.006 | 84.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | H | 184 | LEU | 0 | -0.017 | -0.006 | 84.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | H | 185 | SER | 0 | 0.014 | 0.002 | 88.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | H | 186 | SER | 0 | -0.019 | -0.025 | 89.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | H | 187 | VAL | 0 | 0.032 | 0.008 | 91.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | H | 188 | VAL | 0 | 0.011 | 0.006 | 93.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | H | 189 | THR | 0 | -0.031 | -0.008 | 95.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | H | 190 | VAL | 0 | 0.017 | 0.003 | 98.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | H | 191 | PRO | 0 | 0.057 | 0.023 | 100.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | H | 192 | SER | 0 | 0.041 | 0.029 | 103.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | H | 193 | SER | 0 | 0.009 | 0.003 | 106.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | H | 194 | SER | 0 | -0.017 | -0.015 | 102.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | H | 195 | LEU | 0 | 0.005 | -0.004 | 102.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | H | 196 | GLY | 0 | 0.009 | 0.016 | 103.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | H | 197 | THR | 0 | -0.015 | -0.008 | 103.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | H | 198 | GLN | 0 | -0.068 | -0.031 | 96.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | H | 199 | THR | 0 | 0.009 | 0.010 | 96.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | H | 200 | TYR | 0 | 0.022 | 0.006 | 95.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | H | 201 | ILE | 0 | 0.023 | -0.001 | 90.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | H | 203 | ASN | 0 | 0.031 | -0.003 | 85.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | H | 204 | VAL | 0 | 0.003 | 0.000 | 84.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | H | 205 | ASN | 0 | -0.043 | -0.041 | 77.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | H | 206 | HIS | 0 | 0.023 | -0.005 | 78.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | H | 207 | LYS | 1 | 0.991 | 0.981 | 72.532 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | H | 208 | PRO | 0 | 0.021 | 0.019 | 73.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | H | 209 | SER | 0 | 0.038 | 0.039 | 74.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | H | 210 | ASN | 0 | -0.072 | -0.028 | 73.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | H | 211 | THR | 0 | 0.022 | 0.028 | 77.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | H | 212 | LYS | 1 | 0.908 | 0.939 | 76.343 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | H | 213 | VAL | 0 | 0.005 | 0.007 | 82.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | H | 214 | ASP | -1 | -0.834 | -0.895 | 86.535 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | H | 215 | LYS | 1 | 0.795 | 0.864 | 89.114 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | H | 216 | LYS | 1 | 0.856 | 0.913 | 92.574 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | H | 217 | VAL | 0 | -0.040 | -0.022 | 95.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | H | 218 | GLU | -1 | -0.843 | -0.898 | 97.952 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | L | -1 | ASP | -1 | -0.880 | -0.943 | 60.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 0 | ILE | 0 | -0.047 | -0.015 | 61.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 1 | GLN | 0 | -0.004 | -0.006 | 64.781 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 2 | LEU | 0 | 0.005 | -0.005 | 68.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 3 | THR | 0 | 0.003 | 0.004 | 70.836 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 4 | GLN | 0 | -0.017 | -0.046 | 74.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 5 | SER | 0 | -0.020 | 0.013 | 76.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 6 | PRO | 0 | 0.058 | 0.021 | 80.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 7 | SER | 0 | 0.065 | 0.030 | 80.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 8 | PHE | 0 | -0.030 | -0.021 | 82.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 9 | LEU | 0 | -0.002 | 0.006 | 85.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 10 | SER | 0 | -0.033 | -0.040 | 87.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 11 | ALA | 0 | -0.003 | 0.001 | 89.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 12 | SER | 0 | 0.011 | -0.007 | 91.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 13 | VAL | 0 | -0.014 | -0.015 | 92.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 14 | GLY | 0 | -0.012 | 0.000 | 91.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 15 | ASP | -1 | -0.814 | -0.880 | 91.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 16 | ARG | 1 | 0.927 | 0.961 | 85.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 17 | VAL | 0 | 0.002 | 0.016 | 83.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 18 | THR | 0 | -0.023 | -0.019 | 82.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | L | 19 | ILE | 0 | -0.024 | 0.000 | 78.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | L | 20 | THR | 0 | 0.031 | 0.030 | 77.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | L | 86 | CYS | 0 | -0.055 | 0.006 | 71.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | L | 22 | ARG | 1 | 0.849 | 0.921 | 73.554 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | L | 23 | ALA | 0 | -0.001 | 0.004 | 68.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | L | 24 | SER | 0 | -0.025 | -0.027 | 67.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | L | 25 | GLN | 0 | 0.029 | 0.016 | 61.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | L | 26 | GLY | 0 | -0.022 | -0.012 | 66.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | L | 27 | ILE | 0 | 0.013 | 0.008 | 64.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | L | 28 | SER | 0 | -0.061 | -0.039 | 63.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | L | 29 | SER | 0 | 0.055 | 0.025 | 65.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | L | 30 | TYR | 0 | -0.012 | -0.002 | 59.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | L | 31 | LEU | 0 | -0.012 | -0.004 | 64.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | L | 32 | ALA | 0 | -0.015 | 0.000 | 67.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | L | 33 | TRP | 0 | 0.008 | -0.002 | 69.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | L | 34 | TYR | 0 | 0.038 | -0.010 | 66.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | L | 35 | GLN | 0 | -0.006 | 0.004 | 73.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | L | 36 | GLN | 0 | -0.030 | -0.031 | 73.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | L | 37 | LYS | 1 | 0.823 | 0.902 | 76.685 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | L | 38 | PRO | 0 | 0.024 | -0.002 | 78.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | L | 39 | GLY | 0 | -0.010 | -0.004 | 76.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | L | 40 | LYS | 1 | 0.894 | 0.961 | 75.387 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | L | 41 | ALA | 0 | 0.097 | 0.052 | 70.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | L | 42 | PRO | 0 | -0.054 | -0.018 | 70.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | L | 43 | LYS | 1 | 0.902 | 0.971 | 71.083 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | L | 44 | LEU | 0 | -0.017 | -0.002 | 67.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | L | 45 | LEU | 0 | -0.054 | -0.030 | 71.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | L | 46 | ILE | 0 | 0.018 | 0.008 | 71.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | L | 47 | TYR | 0 | 0.038 | 0.014 | 66.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | L | 48 | ALA | 0 | 0.042 | 0.016 | 65.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | L | 49 | ALA | 0 | -0.009 | -0.002 | 67.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | L | 50 | SER | 0 | -0.057 | -0.023 | 70.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | L | 51 | THR | 0 | -0.003 | 0.010 | 69.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | L | 52 | LEU | 0 | 0.000 | -0.003 | 71.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | L | 53 | GLN | 0 | -0.025 | -0.011 | 69.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | L | 54 | SER | 0 | 0.007 | 0.002 | 71.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | L | 55 | GLY | 0 | 0.048 | 0.019 | 73.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | L | 56 | VAL | 0 | -0.052 | -0.021 | 74.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | L | 57 | PRO | 0 | 0.019 | 0.011 | 77.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | L | 58 | SER | 0 | 0.044 | 0.013 | 80.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | L | 59 | ARG | 1 | 0.761 | 0.865 | 81.524 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | L | 60 | PHE | 0 | -0.027 | -0.009 | 78.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | L | 61 | SER | 0 | 0.000 | -0.003 | 78.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | L | 62 | GLY | 0 | 0.017 | 0.013 | 75.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | L | 63 | SER | 0 | -0.010 | -0.005 | 75.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | L | 64 | GLY | 0 | 0.068 | 0.025 | 73.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | L | 65 | SER | 0 | 0.016 | -0.012 | 68.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | L | 66 | GLY | 0 | 0.019 | 0.020 | 68.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | L | 67 | THR | 0 | 0.039 | 0.018 | 68.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | L | 68 | GLU | -1 | -0.870 | -0.928 | 71.400 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | L | 69 | PHE | 0 | 0.019 | 0.009 | 68.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | L | 70 | THR | 0 | -0.035 | -0.031 | 74.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | L | 71 | LEU | 0 | 0.006 | 0.016 | 76.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | L | 72 | THR | 0 | -0.009 | -0.020 | 78.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | L | 73 | ILE | 0 | 0.002 | 0.006 | 81.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | L | 74 | SER | 0 | -0.041 | -0.043 | 84.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | L | 75 | SER | 0 | 0.011 | 0.001 | 86.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | L | 76 | LEU | 0 | -0.032 | 0.006 | 86.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | L | 77 | GLN | 0 | -0.010 | -0.014 | 87.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | L | 78 | PRO | 0 | 0.054 | 0.025 | 88.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | L | 79 | GLU | -1 | -0.799 | -0.892 | 84.905 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | L | 80 | ASP | -1 | -0.769 | -0.855 | 83.878 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | L | 81 | PHE | 0 | 0.001 | 0.018 | 83.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | L | 82 | ALA | 0 | -0.034 | -0.015 | 80.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | L | 83 | THR | 0 | -0.007 | 0.000 | 77.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | L | 84 | TYR | 0 | -0.003 | -0.007 | 77.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | L | 85 | TYR | 0 | 0.023 | 0.019 | 72.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | L | 87 | GLN | 0 | 0.069 | 0.041 | 64.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | L | 88 | GLN | 0 | 0.014 | 0.003 | 61.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | L | 89 | LEU | 0 | 0.008 | -0.008 | 61.896 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | L | 90 | ASN | 0 | -0.011 | -0.018 | 60.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | L | 91 | SER | 0 | -0.024 | -0.010 | 57.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | L | 92 | TYR | 0 | -0.045 | -0.025 | 55.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | L | 93 | PRO | 0 | 0.007 | 0.004 | 57.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | L | 94 | LEU | 0 | -0.051 | -0.011 | 59.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | L | 95 | THR | 0 | 0.006 | 0.000 | 62.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | L | 96 | PHE | 0 | -0.006 | -0.019 | 65.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | L | 97 | GLY | 0 | 0.025 | 0.001 | 69.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | L | 98 | GLY | 0 | -0.045 | -0.029 | 72.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | L | 99 | GLY | 0 | -0.010 | 0.008 | 75.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | L | 100 | THR | 0 | -0.044 | -0.036 | 76.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | L | 101 | LYS | 1 | 0.925 | 0.965 | 80.425 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | L | 102 | VAL | 0 | -0.005 | -0.007 | 82.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | L | 103 | GLU | -1 | -0.853 | -0.876 | 85.417 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | L | 104 | ILE | 0 | 0.007 | -0.001 | 87.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | L | 105 | LYS | 1 | 0.925 | 0.969 | 91.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | L | 106 | ARG | 1 | 0.832 | 0.890 | 94.817 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | L | 107 | THR | 0 | 0.022 | 0.007 | 97.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | L | 108 | VAL | 0 | 0.000 | 0.015 | 100.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | L | 109 | ALA | 0 | -0.019 | 0.002 | 100.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | L | 110 | ALA | 0 | 0.040 | 0.011 | 102.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | L | 111 | PRO | 0 | -0.041 | 0.002 | 101.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | L | 112 | SER | 0 | 0.016 | -0.001 | 102.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | L | 113 | VAL | 0 | -0.010 | -0.007 | 102.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | L | 114 | PHE | 0 | 0.005 | -0.002 | 101.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | L | 115 | ILE | 0 | -0.013 | -0.007 | 102.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | L | 116 | PHE | 0 | -0.017 | -0.012 | 99.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | L | 117 | PRO | 0 | 0.014 | 0.001 | 101.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | L | 118 | PRO | 0 | 0.036 | 0.033 | 100.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | L | 119 | SER | 0 | -0.067 | -0.037 | 98.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | L | 120 | ASP | -1 | -0.790 | -0.906 | 100.993 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | L | 121 | GLU | -1 | -0.853 | -0.919 | 95.690 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | L | 122 | GLN | 0 | 0.021 | 0.020 | 95.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | L | 123 | LEU | 0 | 0.002 | -0.004 | 97.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | L | 124 | LYS | 1 | 0.869 | 0.933 | 97.676 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | L | 125 | SER | 0 | -0.008 | 0.003 | 93.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | L | 126 | GLY | 0 | -0.011 | 0.001 | 95.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | L | 127 | THR | 0 | -0.027 | -0.010 | 94.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | L | 128 | ALA | 0 | -0.021 | -0.006 | 97.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | L | 129 | SER | 0 | 0.012 | -0.006 | 95.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | L | 130 | VAL | 0 | -0.041 | -0.006 | 97.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | L | 131 | VAL | 0 | 0.011 | 0.004 | 96.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | L | 192 | CYS | 0 | -0.082 | -0.021 | 98.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | L | 133 | LEU | 0 | -0.025 | -0.001 | 96.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | L | 134 | LEU | 0 | 0.037 | 0.016 | 98.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | L | 135 | ASN | 0 | 0.024 | -0.017 | 97.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | L | 136 | ASN | 0 | 0.023 | -0.003 | 96.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | L | 137 | PHE | 0 | 0.001 | 0.013 | 96.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | L | 138 | TYR | 0 | -0.002 | -0.033 | 94.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | L | 139 | PRO | 0 | 0.027 | 0.018 | 96.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | L | 140 | ARG | 1 | 0.958 | 0.964 | 90.956 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | L | 141 | GLU | -1 | -0.904 | -0.957 | 94.433 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | L | 142 | ALA | 0 | -0.004 | -0.005 | 97.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | L | 143 | LYS | 1 | 0.908 | 0.966 | 98.829 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | L | 144 | VAL | 0 | 0.018 | 0.003 | 99.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | L | 145 | GLN | 0 | -0.016 | -0.019 | 101.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | L | 146 | TRP | 0 | 0.017 | 0.001 | 99.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | L | 147 | LYS | 1 | 0.824 | 0.904 | 104.263 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | L | 148 | VAL | 0 | 0.021 | 0.009 | 105.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | L | 149 | ASP | -1 | -0.760 | -0.880 | 108.486 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | L | 150 | ASN | 0 | -0.040 | -0.033 | 111.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | L | 151 | ALA | 0 | 0.039 | 0.038 | 109.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | L | 152 | LEU | 0 | -0.007 | -0.013 | 106.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | L | 153 | GLN | 0 | -0.040 | -0.015 | 102.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | L | 154 | SER | 0 | 0.002 | -0.007 | 100.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | L | 155 | GLY | 0 | 0.017 | 0.010 | 96.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | L | 156 | ASN | 0 | 0.012 | 0.006 | 95.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | L | 157 | SER | 0 | -0.007 | -0.009 | 96.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | L | 158 | GLN | 0 | -0.017 | -0.011 | 88.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | L | 159 | GLU | -1 | -0.915 | -0.968 | 92.782 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | L | 160 | SER | 0 | -0.028 | -0.017 | 88.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | L | 161 | VAL | 0 | -0.012 | -0.013 | 89.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | L | 162 | THR | 0 | -0.039 | -0.029 | 88.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | L | 163 | GLU | -1 | -0.908 | -0.969 | 84.303 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | L | 164 | GLN | 0 | -0.010 | -0.007 | 87.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | L | 165 | ASP | -1 | -0.776 | -0.895 | 88.895 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | L | 166 | SER | 0 | -0.032 | -0.011 | 87.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | L | 167 | LYS | 1 | 0.842 | 0.919 | 88.911 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | L | 168 | ASP | -1 | -0.753 | -0.858 | 92.435 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | L | 169 | SER | 0 | -0.017 | 0.006 | 91.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | L | 170 | THR | 0 | -0.085 | -0.054 | 93.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | L | 171 | TYR | 0 | -0.027 | -0.005 | 90.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | L | 172 | SER | 0 | 0.021 | 0.015 | 93.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | L | 173 | LEU | 0 | -0.037 | -0.008 | 93.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | L | 174 | SER | 0 | -0.001 | 0.019 | 92.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | L | 175 | SER | 0 | 0.066 | 0.031 | 94.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | L | 176 | THR | 0 | 0.009 | -0.010 | 94.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | L | 177 | LEU | 0 | -0.007 | 0.007 | 96.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | L | 178 | THR | 0 | 0.007 | -0.012 | 94.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | L | 179 | LEU | 0 | -0.012 | -0.003 | 97.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | L | 180 | SER | 0 | 0.032 | -0.011 | 99.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | L | 181 | LYS | 1 | 0.853 | 0.901 | 100.327 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | L | 182 | ALA | 0 | 0.056 | 0.027 | 102.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | L | 183 | ASP | -1 | -0.838 | -0.882 | 102.855 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | L | 184 | TYR | 0 | 0.022 | 0.001 | 103.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | L | 185 | GLU | -1 | -0.865 | -0.934 | 105.474 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | L | 186 | LYS | 1 | 0.856 | 0.937 | 106.492 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | L | 187 | HIS | 0 | -0.020 | 0.008 | 107.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | L | 188 | LYS | 1 | 0.870 | 0.941 | 110.306 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | L | 189 | VAL | 0 | -0.005 | -0.001 | 111.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | L | 190 | TYR | 0 | 0.003 | 0.009 | 105.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | L | 191 | ALA | 0 | 0.012 | -0.015 | 107.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | L | 193 | GLU | -1 | -0.787 | -0.866 | 105.747 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | L | 194 | VAL | 0 | 0.017 | -0.006 | 103.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | L | 195 | THR | 0 | -0.032 | -0.019 | 104.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | L | 196 | HIS | 0 | 0.025 | -0.003 | 99.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | L | 197 | GLN | 0 | 0.054 | 0.028 | 102.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | L | 198 | GLY | 0 | -0.005 | -0.012 | 104.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | L | 199 | LEU | 0 | -0.067 | -0.029 | 105.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | L | 200 | SER | 0 | 0.024 | 0.013 | 108.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | L | 201 | SER | 0 | -0.022 | -0.011 | 111.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | L | 202 | PRO | 0 | 0.012 | -0.007 | 109.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | L | 203 | VAL | 0 | 0.015 | 0.033 | 107.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | L | 204 | THR | 0 | 0.024 | 0.003 | 108.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | L | 205 | LYS | 1 | 0.901 | 0.972 | 107.030 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | L | 206 | SER | 0 | 0.026 | -0.002 | 108.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | L | 207 | PHE | 0 | -0.030 | -0.025 | 105.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | L | 208 | ASN | 0 | 0.068 | 0.041 | 110.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | L | 209 | ARG | 1 | 0.848 | 0.917 | 108.094 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | L | 210 | GLY | 0 | 0.010 | -0.001 | 110.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | L | 211 | GLU | -1 | -0.962 | -0.973 | 110.431 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |