FMODB ID: 8JMGY
Calculation Name: 6ZDH-AHL-EM163
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 6ZDH
Chain ID: AHL
UniProt ID: P0DTC2
Base Structure: ElectronMicroscopy
Registration Date: 2020-10-05
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 | 625 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12806340.935324 |
---|---|
FMO2-HF: Nuclear repulsion | 12562300.562716 |
FMO2-HF: Total energy | -244040.372608 |
FMO2-MP2: Total energy | -244749.570617 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-191 : frag 192-625)
"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. |
-308.4901 | -262.8651 | 162.7282 | -81.8386 | -126.5146 | -0.1232 |
Interactive mode: IFIE and PIEDA for fragment #1(A:333:THR )
Summations of interaction energy for
fragment #1(A: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. |
1.399 | 2.772 | -0.011 | -0.582 | -0.781 | 0.001 |
Interaction energy analysis for fragmet #1(A: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 | A | 335 | LEU | 0 | 0.031 | 0.021 | 3.851 | 0.797 | 2.170 | -0.011 | -0.582 | -0.781 | 0.001 |
4 | A | 361 | CYS | 0 | -0.068 | -0.009 | 5.719 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 337 | PRO | 0 | 0.016 | 0.023 | 9.324 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 338 | PHE | 0 | 0.032 | -0.007 | 11.781 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 339 | GLY | 0 | 0.005 | 0.004 | 13.096 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 340 | GLU | -1 | -0.858 | -0.927 | 14.510 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 341 | VAL | 0 | -0.036 | -0.013 | 16.786 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 342 | PHE | 0 | -0.005 | -0.012 | 17.175 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 343 | ASN | 0 | -0.014 | -0.010 | 17.746 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 344 | ALA | 0 | 0.023 | 0.032 | 20.553 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 345 | THR | 0 | 0.005 | -0.012 | 21.856 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 346 | ARG | 1 | 0.812 | 0.893 | 24.395 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 347 | PHE | 0 | 0.042 | 0.026 | 23.226 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 348 | ALA | 0 | 0.011 | 0.008 | 27.189 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 349 | SER | 0 | 0.022 | 0.002 | 29.088 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 350 | VAL | 0 | -0.017 | 0.003 | 31.963 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 351 | TYR | 0 | 0.030 | 0.009 | 32.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 352 | ALA | 0 | -0.033 | 0.000 | 31.572 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 353 | TRP | 0 | -0.033 | 0.010 | 26.707 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 354 | ASN | 0 | 0.008 | 0.003 | 22.478 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 355 | ARG | 1 | 0.819 | 0.904 | 22.846 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 356 | LYS | 1 | 0.897 | 0.945 | 14.909 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 357 | ARG | 1 | 0.837 | 0.904 | 17.577 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 358 | ILE | 0 | -0.034 | -0.017 | 12.494 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 359 | SER | 0 | 0.043 | -0.016 | 13.010 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 360 | ASN | 0 | -0.033 | -0.018 | 9.873 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 362 | VAL | 0 | 0.047 | 0.030 | 4.963 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 363 | ALA | 0 | 0.012 | -0.010 | 7.013 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 364 | ASP | -1 | -0.802 | -0.877 | 8.199 | -0.595 | -0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 365 | TYR | 0 | 0.014 | 0.000 | 10.028 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 366 | SER | 0 | -0.014 | -0.029 | 11.462 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 367 | VAL | 0 | 0.019 | 0.015 | 12.899 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 368 | LEU | 0 | -0.037 | -0.023 | 15.558 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 369 | TYR | 0 | -0.046 | -0.019 | 15.747 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 370 | ASN | 0 | -0.029 | -0.027 | 16.400 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 371 | SER | 0 | -0.036 | -0.016 | 18.861 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 372 | ALA | 0 | -0.002 | -0.008 | 21.314 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 373 | SER | 0 | -0.033 | -0.017 | 24.587 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 374 | PHE | 0 | -0.005 | -0.001 | 20.143 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 375 | SER | 0 | 0.020 | 0.010 | 26.252 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 376 | THR | 0 | -0.084 | -0.051 | 28.930 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 377 | PHE | 0 | 0.025 | 0.015 | 21.686 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 378 | LYS | 1 | 0.922 | 0.969 | 27.185 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 432 | CYS | 0 | -0.069 | -0.007 | 22.327 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 380 | TYR | 0 | 0.075 | 0.026 | 26.585 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 381 | GLY | 0 | 0.034 | 0.013 | 26.858 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 382 | VAL | 0 | -0.026 | -0.008 | 21.656 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 383 | SER | 0 | 0.005 | -0.009 | 24.436 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 384 | PRO | 0 | 0.011 | 0.001 | 20.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 385 | THR | 0 | -0.063 | -0.035 | 19.844 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 386 | LYS | 1 | 0.801 | 0.912 | 19.602 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 387 | LEU | 0 | 0.020 | 0.010 | 17.095 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 388 | ASN | 0 | -0.024 | -0.026 | 13.430 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 389 | ASP | -1 | -0.828 | -0.898 | 13.449 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 390 | LEU | 0 | -0.015 | 0.008 | 15.748 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 525 | CYS | 0 | -0.035 | -0.017 | 10.534 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 392 | PHE | 0 | 0.022 | -0.001 | 15.438 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 393 | THR | 0 | -0.059 | -0.040 | 15.979 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 394 | ASN | 0 | 0.012 | 0.015 | 16.486 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 395 | VAL | 0 | 0.011 | 0.016 | 15.579 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 396 | TYR | 0 | -0.037 | -0.005 | 17.940 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 397 | ALA | 0 | 0.037 | 0.005 | 18.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 398 | ASP | -1 | -0.726 | -0.804 | 20.546 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 399 | SER | 0 | -0.027 | -0.013 | 22.955 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 400 | PHE | 0 | -0.004 | -0.015 | 25.011 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 401 | VAL | 0 | 0.000 | 0.007 | 28.541 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 402 | ILE | 0 | 0.003 | 0.012 | 31.197 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 403 | ARG | 1 | 0.818 | 0.898 | 34.298 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 404 | GLY | 0 | 0.044 | 0.021 | 35.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 405 | ASP | -1 | -0.890 | -0.949 | 36.454 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 406 | GLU | -1 | -0.813 | -0.890 | 37.067 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 407 | VAL | 0 | 0.018 | 0.015 | 31.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 408 | ARG | 1 | 0.860 | 0.927 | 33.399 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 409 | GLN | 0 | 0.043 | 0.013 | 35.701 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 410 | ILE | 0 | -0.021 | 0.002 | 29.694 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 411 | ALA | 0 | -0.004 | -0.020 | 31.530 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 412 | PRO | 0 | -0.001 | 0.019 | 31.509 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 413 | GLY | 0 | 0.006 | -0.006 | 34.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 414 | GLN | 0 | -0.082 | -0.012 | 35.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 415 | THR | 0 | 0.036 | 0.010 | 38.556 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 416 | GLY | 0 | -0.030 | -0.020 | 41.157 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 417 | LYS | 1 | 0.877 | 0.940 | 40.770 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 418 | ILE | 0 | -0.010 | 0.007 | 34.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 419 | ALA | 0 | 0.045 | 0.027 | 36.227 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 420 | ASP | -1 | -0.804 | -0.888 | 37.302 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 421 | TYR | 0 | -0.052 | -0.039 | 39.725 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 422 | ASN | 0 | -0.043 | -0.026 | 35.373 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 423 | TYR | 0 | 0.010 | -0.041 | 27.038 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 424 | LYS | 1 | 0.886 | 0.960 | 33.611 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 425 | LEU | 0 | 0.011 | 0.013 | 28.431 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 426 | PRO | 0 | -0.008 | 0.004 | 30.058 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 427 | ASP | -1 | -0.814 | -0.932 | 32.637 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 428 | ASP | -1 | -0.895 | -0.943 | 31.780 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 429 | PHE | 0 | -0.063 | -0.012 | 25.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 430 | THR | 0 | 0.035 | 0.026 | 24.852 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 431 | GLY | 0 | 0.016 | -0.008 | 23.162 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 433 | VAL | 0 | -0.005 | 0.004 | 24.262 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 434 | ILE | 0 | -0.005 | 0.003 | 21.185 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 435 | ALA | 0 | 0.015 | 0.003 | 25.457 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 436 | TRP | 0 | -0.012 | -0.010 | 23.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 437 | ASN | 0 | -0.009 | 0.000 | 28.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 438 | SER | 0 | 0.029 | -0.013 | 29.186 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 439 | ASN | 0 | 0.024 | 0.022 | 30.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 440 | ASN | 0 | 0.004 | -0.004 | 29.445 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 441 | LEU | 0 | 0.001 | 0.010 | 27.176 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 442 | ASP | -1 | -0.798 | -0.816 | 30.466 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 443 | SER | 0 | 0.037 | 0.003 | 33.561 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 444 | LYS | 1 | 0.885 | 0.944 | 35.881 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 445 | VAL | 0 | 0.031 | 0.004 | 39.582 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 446 | GLY | 0 | 0.029 | 0.031 | 43.000 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 447 | GLY | 0 | 0.017 | 0.013 | 42.231 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 448 | ASN | 0 | -0.106 | -0.086 | 34.848 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 449 | TYR | 0 | 0.041 | 0.026 | 38.398 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 450 | ASN | 0 | -0.043 | -0.022 | 34.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 451 | TYR | 0 | -0.054 | -0.044 | 30.653 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 452 | LEU | 0 | 0.030 | 0.009 | 35.930 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 453 | TYR | 0 | -0.007 | -0.016 | 36.431 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 454 | ARG | 1 | 0.813 | 0.885 | 38.396 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 455 | LEU | 0 | -0.004 | 0.007 | 40.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 456 | PHE | 0 | -0.004 | -0.017 | 43.958 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 457 | ARG | 1 | 0.792 | 0.864 | 39.469 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 458 | LYS | 1 | 0.851 | 0.915 | 44.897 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 459 | SER | 0 | 0.007 | 0.007 | 44.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 460 | ASN | 0 | 0.001 | -0.006 | 41.102 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 461 | LEU | 0 | -0.087 | -0.018 | 35.534 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 462 | LYS | 1 | 0.879 | 0.917 | 36.739 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 463 | PRO | 0 | 0.020 | -0.011 | 32.735 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 464 | PHE | 0 | -0.012 | -0.005 | 26.908 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 465 | GLU | -1 | -0.765 | -0.844 | 30.899 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 466 | ARG | 1 | 0.842 | 0.896 | 28.975 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 467 | ASP | -1 | -0.755 | -0.834 | 33.089 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 468 | ILE | 0 | 0.017 | 0.002 | 33.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 469 | SER | 0 | -0.031 | -0.019 | 36.588 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 470 | THR | 0 | 0.006 | -0.004 | 40.170 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 471 | GLU | -1 | -0.819 | -0.886 | 42.616 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 472 | ILE | 0 | -0.010 | -0.004 | 45.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 473 | TYR | 0 | -0.020 | -0.010 | 47.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 474 | GLN | 0 | 0.005 | -0.021 | 49.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 475 | ALA | 0 | -0.035 | -0.025 | 52.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 476 | GLY | 0 | 0.023 | 0.013 | 54.363 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 477 | SER | 0 | -0.005 | -0.012 | 57.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 478 | THR | 0 | -0.008 | 0.007 | 59.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 479 | PRO | 0 | 0.014 | 0.002 | 56.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 488 | CYS | 0 | 0.025 | 0.056 | 52.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 481 | ASN | 0 | -0.014 | -0.004 | 53.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 482 | GLY | 0 | -0.008 | -0.010 | 50.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 483 | VAL | 0 | -0.028 | -0.005 | 51.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 484 | GLU | -1 | -0.836 | -0.935 | 49.501 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 485 | GLY | 0 | 0.004 | -0.012 | 53.730 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 486 | PHE | 0 | -0.036 | -0.015 | 56.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 487 | ASN | 0 | -0.046 | -0.024 | 56.296 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 489 | TYR | 0 | 0.050 | 0.026 | 50.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 490 | PHE | 0 | 0.050 | 0.020 | 42.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 491 | PRO | 0 | -0.037 | -0.003 | 43.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 492 | LEU | 0 | -0.017 | -0.008 | 38.961 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 493 | GLN | 0 | 0.049 | 0.024 | 42.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 494 | SER | 0 | -0.007 | -0.014 | 40.392 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 495 | TYR | 0 | -0.037 | -0.035 | 36.359 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 496 | GLY | 0 | 0.011 | 0.010 | 40.454 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 497 | PHE | 0 | -0.029 | -0.006 | 35.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 498 | GLN | 0 | 0.041 | 0.007 | 39.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 499 | PRO | 0 | 0.005 | -0.004 | 39.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 500 | THR | 0 | 0.016 | 0.008 | 40.767 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 501 | ASN | 0 | 0.010 | 0.025 | 41.119 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 502 | GLY | 0 | 0.065 | 0.034 | 41.747 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 503 | VAL | 0 | 0.045 | 0.006 | 37.547 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 504 | GLY | 0 | 0.033 | 0.025 | 38.549 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 505 | TYR | 0 | -0.029 | -0.040 | 39.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 506 | GLN | 0 | -0.018 | 0.005 | 36.495 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 507 | PRO | 0 | -0.001 | 0.010 | 33.283 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 508 | TYR | 0 | 0.003 | -0.013 | 31.218 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 509 | ARG | 1 | 0.808 | 0.916 | 25.377 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 510 | VAL | 0 | -0.001 | -0.012 | 27.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 511 | VAL | 0 | 0.002 | -0.010 | 20.714 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 512 | VAL | 0 | -0.016 | -0.003 | 24.177 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 513 | LEU | 0 | -0.008 | 0.005 | 18.030 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 514 | SER | 0 | 0.014 | -0.003 | 21.528 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 515 | PHE | 0 | 0.008 | 0.006 | 17.038 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 516 | GLU | -1 | -0.800 | -0.895 | 20.358 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 517 | LEU | 0 | -0.026 | -0.002 | 20.329 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 518 | LEU | 0 | 0.030 | 0.017 | 22.111 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 519 | HIS | 0 | 0.029 | 0.010 | 23.328 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 520 | ALA | 0 | -0.019 | -0.015 | 20.828 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 521 | PRO | 0 | 0.018 | -0.001 | 17.243 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 522 | ALA | 0 | 0.002 | 0.001 | 16.254 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 523 | THR | 0 | -0.026 | -0.006 | 12.607 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 524 | VAL | 0 | -0.011 | 0.006 | 11.347 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 526 | GLY | 0 | 0.053 | 0.039 | 9.799 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 527 | PRO | 0 | -0.046 | -0.018 | 7.388 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 1 | GLU | -1 | -0.852 | -0.917 | 40.275 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 2 | VAL | 0 | -0.095 | -0.061 | 36.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 3 | GLN | 0 | -0.069 | -0.031 | 39.294 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 4 | LEU | 0 | -0.010 | -0.021 | 35.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 5 | VAL | 0 | 0.017 | 0.012 | 39.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 6 | GLU | -1 | -0.761 | -0.881 | 40.407 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 7 | SER | 0 | 0.005 | -0.002 | 42.158 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 8 | GLY | 0 | 0.017 | 0.003 | 42.689 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 9 | GLY | 0 | -0.014 | -0.002 | 44.663 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 10 | GLY | 0 | 0.020 | 0.003 | 46.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 11 | VAL | 0 | -0.012 | -0.006 | 49.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 12 | VAL | 0 | -0.025 | -0.005 | 47.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 13 | GLN | 0 | 0.075 | 0.041 | 50.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 14 | PRO | 0 | 0.039 | -0.002 | 49.212 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 15 | GLY | 0 | -0.022 | -0.006 | 46.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 16 | ARG | 1 | 0.861 | 0.936 | 46.203 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 17 | SER | 0 | 0.003 | -0.002 | 42.015 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 18 | LEU | 0 | -0.019 | -0.004 | 42.402 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 19 | ARG | 1 | 0.913 | 0.969 | 36.274 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 20 | LEU | 0 | 0.000 | 0.016 | 39.401 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 21 | SER | 0 | -0.026 | -0.026 | 37.976 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 96 | CYS | 0 | -0.078 | -0.021 | 36.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 23 | ALA | 0 | 0.006 | 0.013 | 36.640 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 24 | ALA | 0 | 0.027 | 0.015 | 34.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 25 | SER | 0 | -0.012 | -0.023 | 36.598 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | H | 26 | ALA | 0 | 0.003 | 0.004 | 37.856 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | H | 27 | PHE | 0 | 0.011 | 0.010 | 31.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | H | 28 | THR | 0 | 0.028 | 0.012 | 27.603 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | H | 29 | PHE | 0 | 0.032 | 0.021 | 29.446 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | H | 30 | SER | 0 | -0.012 | -0.013 | 25.596 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | H | 31 | SER | 0 | 0.011 | 0.012 | 24.590 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | H | 32 | TYR | 0 | -0.004 | -0.007 | 25.632 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | H | 33 | ASP | -1 | -0.757 | -0.852 | 24.526 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | H | 34 | MET | 0 | -0.079 | -0.027 | 27.259 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | H | 35 | HIS | 0 | 0.019 | -0.008 | 30.335 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | H | 36 | TRP | 0 | -0.009 | -0.012 | 32.873 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | H | 37 | VAL | 0 | -0.006 | -0.008 | 35.844 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | H | 38 | ARG | 1 | 0.803 | 0.886 | 38.596 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | H | 39 | GLN | 0 | 0.022 | 0.020 | 42.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | H | 40 | ALA | 0 | 0.050 | 0.033 | 45.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | H | 41 | PRO | 0 | 0.012 | -0.010 | 48.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | H | 42 | GLY | 0 | 0.011 | 0.011 | 51.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | H | 43 | LYS | 1 | 0.876 | 0.943 | 48.567 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | H | 44 | GLY | 0 | 0.064 | 0.033 | 46.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | H | 45 | LEU | 0 | -0.049 | -0.023 | 42.101 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | H | 46 | GLU | -1 | -0.785 | -0.867 | 39.818 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | H | 47 | TRP | 0 | -0.005 | -0.002 | 30.461 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | H | 48 | VAL | 0 | -0.035 | -0.008 | 36.312 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | H | 49 | ALA | 0 | 0.001 | -0.019 | 32.103 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | H | 50 | VAL | 0 | -0.003 | 0.017 | 26.893 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | H | 51 | ILE | 0 | -0.056 | -0.021 | 26.052 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | H | 52 | SER | 0 | 0.030 | -0.015 | 21.779 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | H | 53 | TYR | 0 | -0.069 | -0.057 | 18.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | H | 54 | ASP | -1 | -0.790 | -0.870 | 18.878 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | H | 55 | GLY | 0 | -0.069 | -0.030 | 21.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | H | 56 | SER | 0 | -0.016 | 0.004 | 19.025 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | H | 57 | ASN | 0 | -0.012 | -0.004 | 18.270 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | H | 58 | LYS | 1 | 0.882 | 0.931 | 22.354 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | H | 59 | TYR | 0 | 0.028 | 0.007 | 22.040 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | H | 60 | TYR | 0 | 0.038 | 0.002 | 28.035 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | H | 61 | ALA | 0 | 0.081 | 0.058 | 31.752 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | H | 62 | ASP | -1 | -0.823 | -0.916 | 34.005 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | H | 63 | SER | 0 | -0.056 | -0.017 | 35.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | H | 64 | VAL | 0 | -0.034 | -0.031 | 35.228 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | H | 65 | LYS | 1 | 0.884 | 0.938 | 30.448 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | H | 66 | GLY | 0 | -0.006 | 0.000 | 33.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | H | 67 | ARG | 1 | 0.715 | 0.847 | 34.218 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | H | 68 | PHE | 0 | 0.010 | -0.008 | 35.723 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | H | 69 | THR | 0 | -0.025 | -0.019 | 30.945 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | H | 70 | ILE | 0 | 0.022 | 0.035 | 29.067 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | H | 71 | SER | 0 | -0.041 | -0.037 | 29.044 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | H | 72 | ARG | 1 | 0.837 | 0.904 | 25.886 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | H | 73 | ASP | -1 | -0.790 | -0.846 | 28.529 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | H | 74 | ASN | 0 | 0.046 | 0.001 | 24.891 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | H | 75 | SER | 0 | -0.035 | -0.024 | 28.851 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | H | 76 | LYS | 1 | 0.845 | 0.909 | 30.642 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | H | 77 | ASN | 0 | -0.008 | 0.006 | 32.133 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | H | 78 | THR | 0 | -0.005 | -0.002 | 32.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | H | 79 | LEU | 0 | 0.015 | 0.010 | 31.291 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | H | 80 | TYR | 0 | -0.013 | -0.030 | 33.088 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | H | 81 | LEU | 0 | 0.004 | 0.007 | 33.682 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | H | 82 | GLN | 0 | -0.017 | -0.008 | 35.456 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | H | 83 | MET | 0 | -0.008 | 0.000 | 36.864 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | H | 84 | ASN | 0 | 0.069 | 0.021 | 37.482 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | H | 85 | SER | 0 | -0.006 | 0.001 | 40.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | H | 86 | LEU | 0 | -0.001 | 0.001 | 42.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | H | 87 | ARG | 1 | 0.927 | 0.963 | 43.337 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | H | 88 | ALA | 0 | 0.064 | 0.035 | 47.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | H | 89 | GLU | -1 | -0.882 | -0.956 | 46.055 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | H | 90 | ASP | -1 | -0.776 | -0.841 | 43.063 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | H | 91 | THR | 0 | -0.011 | 0.007 | 45.413 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | H | 92 | ALA | 0 | 0.003 | -0.005 | 45.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | H | 93 | VAL | 0 | -0.002 | 0.007 | 45.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | H | 94 | TYR | 0 | -0.037 | -0.039 | 40.086 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | H | 95 | TYR | 0 | 0.016 | -0.010 | 40.541 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | H | 97 | ALA | 0 | 0.028 | 0.003 | 35.547 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | H | 98 | LYS | 1 | 0.869 | 0.947 | 31.628 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | H | 99 | ASP | -1 | -0.722 | -0.863 | 28.428 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | H | 100 | GLY | 0 | -0.024 | -0.013 | 30.592 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | H | 101 | GLY | 0 | 0.000 | -0.004 | 27.294 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | H | 102 | LYS | 1 | 0.873 | 0.952 | 26.911 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | H | 103 | LEU | 0 | -0.010 | 0.005 | 28.428 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | H | 104 | TRP | 0 | 0.061 | 0.017 | 22.670 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | H | 105 | VAL | 0 | 0.016 | 0.010 | 25.430 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | H | 106 | TYR | 0 | -0.015 | -0.015 | 25.086 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | H | 107 | TYR | 0 | -0.054 | -0.020 | 30.180 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | H | 108 | PHE | 0 | 0.020 | 0.011 | 32.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | H | 109 | ASP | -1 | -0.795 | -0.887 | 34.017 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | H | 110 | TYR | 0 | -0.027 | -0.024 | 36.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | H | 111 | TRP | 0 | 0.000 | -0.006 | 37.340 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | H | 112 | GLY | 0 | 0.065 | 0.042 | 40.038 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | H | 113 | GLN | 0 | -0.084 | -0.055 | 41.768 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | H | 114 | GLY | 0 | 0.009 | 0.010 | 43.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | H | 115 | THR | 0 | -0.028 | -0.016 | 43.352 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | H | 116 | LEU | 0 | -0.037 | -0.010 | 45.639 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | H | 117 | VAL | 0 | -0.006 | 0.000 | 44.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | H | 118 | THR | 0 | -0.046 | -0.032 | 47.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | H | 119 | VAL | 0 | 0.002 | 0.009 | 47.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | H | 120 | SER | 0 | 0.018 | 0.004 | 50.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | H | 121 | SER | 0 | 0.009 | -0.010 | 53.992 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | H | 122 | ALA | 0 | -0.023 | 0.008 | 56.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | H | 123 | SER | 0 | 0.013 | -0.004 | 58.135 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | H | 124 | THR | 0 | -0.031 | -0.007 | 59.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | H | 125 | LYS | 1 | 0.835 | 0.926 | 61.700 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | H | 126 | GLY | 0 | 0.058 | 0.026 | 65.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | H | 127 | PRO | 0 | -0.035 | -0.029 | 66.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | H | 128 | SER | 0 | -0.030 | -0.002 | 68.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | H | 129 | VAL | 0 | 0.014 | 0.012 | 71.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | H | 130 | PHE | 0 | -0.017 | -0.010 | 73.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | H | 131 | PRO | 0 | 0.019 | 0.023 | 76.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | H | 132 | LEU | 0 | -0.039 | -0.019 | 74.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | H | 133 | ALA | 0 | 0.030 | 0.016 | 78.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | H | 134 | PRO | 0 | 0.016 | 0.017 | 82.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | H | 135 | SER | 0 | -0.011 | -0.016 | 83.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | H | 136 | SER | 0 | 0.008 | -0.009 | 86.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | H | 137 | LYS | 1 | 0.947 | 0.968 | 89.056 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | H | 138 | SER | 0 | 0.048 | 0.024 | 87.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | H | 139 | THR | 0 | -0.014 | -0.005 | 89.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | H | 140 | SER | 0 | 0.014 | 0.009 | 90.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | H | 141 | GLY | 0 | 0.055 | 0.025 | 86.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | H | 142 | GLY | 0 | -0.042 | -0.007 | 85.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | H | 143 | THR | 0 | -0.053 | -0.020 | 81.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | H | 144 | ALA | 0 | 0.006 | 0.003 | 83.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | H | 145 | ALA | 0 | 0.006 | 0.000 | 78.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | H | 146 | LEU | 0 | -0.015 | 0.007 | 78.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | H | 147 | GLY | 0 | 0.045 | 0.004 | 75.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | H | 204 | CYS | 0 | -0.078 | -0.009 | 74.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | H | 149 | LEU | 0 | -0.009 | 0.017 | 70.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | H | 150 | VAL | 0 | 0.012 | 0.002 | 67.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | H | 151 | LYS | 1 | 0.956 | 0.964 | 68.051 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | H | 152 | ASP | -1 | -0.805 | -0.907 | 66.680 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | H | 153 | TYR | 0 | -0.029 | -0.030 | 62.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | H | 154 | PHE | 0 | 0.068 | 0.028 | 55.870 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | H | 155 | PRO | 0 | -0.002 | 0.013 | 56.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | H | 156 | GLU | -1 | -0.731 | -0.855 | 57.036 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | H | 157 | PRO | 0 | -0.038 | -0.018 | 57.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | H | 158 | VAL | 0 | -0.010 | -0.017 | 60.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | H | 159 | THR | 0 | -0.029 | -0.002 | 63.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | H | 160 | VAL | 0 | 0.021 | -0.001 | 65.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | H | 161 | SER | 0 | -0.043 | -0.009 | 68.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | H | 162 | TRP | 0 | 0.053 | 0.020 | 71.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | H | 163 | ASN | 0 | 0.005 | -0.016 | 75.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | H | 164 | SER | 0 | -0.004 | -0.011 | 74.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | H | 165 | GLY | 0 | -0.007 | 0.004 | 73.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | H | 166 | ALA | 0 | -0.022 | -0.002 | 73.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | H | 167 | LEU | 0 | -0.050 | -0.016 | 76.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | H | 168 | THR | 0 | 0.030 | 0.012 | 71.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | H | 169 | SER | 0 | -0.010 | -0.020 | 72.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | H | 170 | GLY | 0 | 0.032 | 0.010 | 74.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | H | 171 | VAL | 0 | -0.023 | -0.002 | 70.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | H | 172 | HIS | 0 | -0.022 | 0.005 | 69.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | H | 173 | THR | 0 | -0.008 | -0.012 | 65.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | H | 174 | PHE | 0 | -0.021 | 0.000 | 65.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | H | 175 | PRO | 0 | 0.019 | 0.006 | 60.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | H | 176 | ALA | 0 | 0.010 | 0.012 | 60.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | H | 177 | VAL | 0 | -0.024 | -0.010 | 60.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | H | 178 | LEU | 0 | -0.027 | -0.011 | 56.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | H | 179 | GLN | 0 | -0.002 | 0.001 | 60.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | H | 180 | SER | 0 | 0.031 | -0.006 | 61.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | H | 181 | SER | 0 | -0.018 | -0.007 | 62.222 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | H | 182 | GLY | 0 | 0.016 | 0.009 | 59.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | H | 183 | LEU | 0 | -0.104 | -0.028 | 59.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | H | 184 | TYR | 0 | 0.016 | -0.003 | 55.870 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | H | 185 | SER | 0 | -0.028 | -0.020 | 62.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | H | 186 | LEU | 0 | 0.001 | 0.015 | 63.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | H | 187 | SER | 0 | 0.035 | 0.011 | 66.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | H | 188 | SER | 0 | -0.019 | -0.004 | 68.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | H | 189 | VAL | 0 | 0.029 | -0.001 | 71.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | H | 190 | VAL | 0 | 0.019 | 0.009 | 73.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | H | 191 | THR | 0 | -0.023 | -0.004 | 76.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | H | 192 | VAL | 0 | 0.017 | 0.009 | 78.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | H | 193 | PRO | 0 | 0.050 | 0.009 | 82.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | H | 194 | SER | 0 | 0.018 | 0.003 | 85.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | H | 195 | SER | 0 | -0.008 | 0.002 | 87.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | H | 196 | SER | 0 | -0.005 | 0.005 | 86.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | H | 197 | LEU | 0 | 0.000 | -0.012 | 85.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | H | 198 | GLY | 0 | 0.017 | 0.018 | 88.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | H | 199 | THR | 0 | -0.025 | -0.005 | 90.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | H | 200 | GLN | 0 | 0.000 | 0.007 | 84.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | H | 201 | THR | 0 | 0.005 | 0.012 | 84.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | H | 202 | TYR | 0 | -0.008 | -0.016 | 80.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | H | 203 | ILE | 0 | -0.001 | -0.014 | 78.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | H | 205 | ASN | 0 | 0.011 | -0.013 | 73.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | H | 206 | VAL | 0 | -0.009 | -0.004 | 68.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | H | 207 | ASN | 0 | -0.018 | -0.030 | 65.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | H | 208 | HIS | 0 | 0.020 | 0.025 | 61.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | H | 209 | LYS | 1 | 0.986 | 0.982 | 61.226 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | H | 210 | PRO | 0 | -0.017 | -0.004 | 58.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | H | 211 | SER | 0 | 0.000 | -0.016 | 60.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | H | 212 | ASN | 0 | -0.059 | -0.034 | 63.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | H | 213 | THR | 0 | 0.015 | 0.027 | 66.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | H | 214 | LYS | 1 | 0.917 | 0.949 | 68.741 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | H | 215 | VAL | 0 | 0.005 | 0.000 | 71.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | H | 216 | ASP | -1 | -0.845 | -0.900 | 74.151 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | H | 217 | LYS | 1 | 0.794 | 0.887 | 76.857 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | H | 218 | ARG | 1 | 0.988 | 0.988 | 78.552 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | H | 219 | VAL | 0 | -0.006 | -0.011 | 78.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | H | 220 | GLU | -1 | -0.938 | -0.960 | 82.037 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | H | 221 | PRO | 0 | -0.006 | -0.012 | 85.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | H | 222 | LYS | 1 | 0.871 | 0.941 | 84.708 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | H | 223 | SER | 0 | 0.005 | 0.010 | 88.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 215 | CYS | 0 | -0.060 | -0.026 | 89.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 1 | ASP | -1 | -0.853 | -0.932 | 37.116 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 2 | ILE | 0 | -0.047 | -0.024 | 35.668 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 3 | GLN | 0 | -0.045 | -0.018 | 39.712 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 4 | MET | 0 | 0.005 | 0.013 | 41.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 5 | THR | 0 | -0.016 | -0.010 | 44.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 6 | GLN | 0 | 0.006 | -0.023 | 47.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 7 | SER | 0 | -0.041 | 0.001 | 49.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 8 | PRO | 0 | 0.071 | 0.029 | 52.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 9 | SER | 0 | 0.048 | 0.024 | 54.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 10 | SER | 0 | 0.018 | -0.005 | 55.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 11 | LEU | 0 | -0.026 | -0.004 | 55.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 12 | SER | 0 | -0.005 | -0.027 | 59.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 13 | ALA | 0 | -0.029 | -0.008 | 60.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | L | 14 | SER | 0 | -0.027 | -0.043 | 62.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | L | 15 | VAL | 0 | -0.009 | -0.016 | 61.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | L | 16 | GLY | 0 | 0.019 | 0.015 | 61.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | L | 17 | ASP | -1 | -0.768 | -0.852 | 60.753 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | L | 18 | ARG | 1 | 0.970 | 0.984 | 53.493 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | L | 19 | VAL | 0 | 0.008 | 0.016 | 54.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | L | 20 | THR | 0 | -0.012 | -0.009 | 53.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | L | 21 | ILE | 0 | -0.030 | -0.012 | 50.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | L | 22 | THR | 0 | 0.012 | 0.016 | 49.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | L | 88 | CYS | 0 | -0.069 | -0.021 | 43.368 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | L | 24 | ARG | 1 | 0.934 | 0.977 | 45.599 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | L | 25 | ALA | 0 | 0.020 | 0.006 | 40.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | L | 26 | SER | 0 | -0.014 | -0.003 | 42.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | L | 27 | GLN | 0 | -0.018 | -0.014 | 35.992 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | L | 28 | SER | 0 | -0.014 | -0.006 | 37.493 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | L | 29 | ILE | 0 | -0.021 | -0.017 | 35.830 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | L | 30 | SER | 0 | 0.023 | 0.006 | 32.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | L | 31 | SER | 0 | 0.034 | 0.003 | 34.889 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | L | 32 | TYR | 0 | -0.019 | -0.001 | 29.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | L | 33 | LEU | 0 | 0.029 | 0.022 | 35.290 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | L | 34 | ASN | 0 | -0.031 | -0.022 | 35.359 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | L | 35 | TRP | 0 | 0.034 | 0.007 | 39.497 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | L | 36 | TYR | 0 | 0.011 | -0.011 | 37.296 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | L | 37 | GLN | 0 | 0.022 | 0.006 | 43.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | L | 38 | GLN | 0 | 0.024 | 0.000 | 46.969 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | L | 39 | LYS | 1 | 0.845 | 0.912 | 49.055 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | L | 40 | PRO | 0 | 0.050 | 0.009 | 52.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | L | 41 | GLY | 0 | 0.008 | 0.011 | 53.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | L | 42 | LYS | 1 | 0.926 | 0.973 | 50.188 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | L | 43 | ALA | 0 | 0.085 | 0.053 | 44.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | L | 44 | PRO | 0 | -0.048 | -0.023 | 43.344 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | L | 45 | LYS | 1 | 0.934 | 0.982 | 43.466 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | L | 46 | LEU | 0 | -0.024 | 0.002 | 37.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | L | 47 | LEU | 0 | -0.061 | -0.031 | 41.944 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | L | 48 | ILE | 0 | -0.008 | -0.005 | 40.910 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | L | 49 | TYR | 0 | 0.045 | 0.011 | 34.562 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | L | 50 | ALA | 0 | 0.009 | -0.008 | 34.562 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | L | 51 | ALA | 0 | 0.020 | 0.026 | 36.413 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | L | 52 | SER | 0 | -0.016 | -0.014 | 38.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | L | 53 | SER | 0 | -0.026 | -0.004 | 37.416 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | L | 54 | LEU | 0 | -0.018 | -0.001 | 39.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | L | 55 | GLN | 0 | 0.005 | -0.009 | 37.022 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | L | 56 | SER | 0 | -0.002 | -0.010 | 39.423 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | L | 57 | GLY | 0 | 0.025 | 0.015 | 41.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | L | 58 | VAL | 0 | -0.067 | -0.028 | 43.867 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | L | 59 | PRO | 0 | 0.011 | 0.002 | 46.403 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | L | 60 | SER | 0 | 0.038 | 0.013 | 48.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | L | 61 | ARG | 1 | 0.753 | 0.856 | 49.305 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | L | 62 | PHE | 0 | -0.048 | -0.018 | 47.596 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | L | 63 | SER | 0 | 0.020 | 0.004 | 46.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | L | 64 | GLY | 0 | 0.009 | 0.016 | 44.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | L | 65 | SER | 0 | -0.016 | -0.016 | 44.258 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | L | 66 | GLY | 0 | 0.043 | 0.018 | 44.174 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | L | 67 | SER | 0 | 0.017 | -0.004 | 39.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | L | 68 | GLY | 0 | 0.024 | 0.035 | 39.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | L | 69 | THR | 0 | 0.003 | -0.019 | 40.289 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | L | 70 | ASP | -1 | -0.874 | -0.925 | 42.974 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | L | 71 | PHE | 0 | 0.001 | 0.000 | 39.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | L | 72 | THR | 0 | -0.033 | -0.029 | 45.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | L | 73 | LEU | 0 | -0.029 | 0.012 | 46.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | L | 74 | THR | 0 | -0.011 | -0.023 | 48.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | L | 75 | ILE | 0 | -0.018 | -0.001 | 50.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | L | 76 | SER | 0 | -0.034 | -0.031 | 53.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | L | 77 | SER | 0 | 0.002 | -0.004 | 55.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | L | 78 | LEU | 0 | -0.042 | 0.002 | 56.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | L | 79 | GLN | 0 | 0.011 | -0.008 | 56.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | L | 80 | PRO | 0 | 0.042 | 0.013 | 58.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | L | 81 | GLU | -1 | -0.806 | -0.889 | 54.758 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | L | 82 | ASP | -1 | -0.721 | -0.835 | 53.820 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | L | 83 | PHE | 0 | -0.038 | 0.004 | 54.402 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | L | 84 | ALA | 0 | -0.041 | -0.035 | 52.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | L | 85 | THR | 0 | 0.022 | 0.024 | 50.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | L | 86 | TYR | 0 | -0.050 | -0.032 | 48.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | L | 87 | TYR | 0 | 0.030 | 0.021 | 44.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | L | 89 | GLN | 0 | 0.036 | 0.011 | 35.454 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | L | 90 | GLN | 0 | 0.025 | 0.010 | 35.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | L | 91 | SER | 0 | -0.004 | -0.038 | 32.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | L | 92 | TYR | 0 | -0.034 | -0.017 | 30.624 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | L | 93 | SER | 0 | 0.028 | 0.011 | 30.838 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | L | 94 | THR | 0 | 0.012 | 0.008 | 26.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | L | 95 | LEU | 0 | -0.049 | -0.031 | 26.347 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | L | 96 | ALA | 0 | -0.009 | 0.002 | 30.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | L | 97 | LEU | 0 | -0.015 | 0.009 | 32.238 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | L | 98 | THR | 0 | -0.010 | 0.002 | 35.589 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | L | 99 | PHE | 0 | -0.005 | -0.023 | 38.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | L | 100 | GLY | 0 | 0.024 | 0.013 | 42.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | L | 101 | GLY | 0 | -0.053 | -0.031 | 45.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | L | 102 | GLY | 0 | -0.004 | -0.005 | 48.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | L | 103 | THR | 0 | -0.039 | -0.024 | 49.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | L | 104 | LYS | 1 | 0.872 | 0.954 | 52.804 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | L | 105 | VAL | 0 | 0.040 | 0.013 | 54.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | L | 106 | GLU | -1 | -0.844 | -0.864 | 57.262 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | L | 107 | ILE | 0 | 0.014 | 0.012 | 60.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | L | 108 | LYS | 1 | 0.850 | 0.927 | 63.666 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | L | 109 | ARG | 1 | 0.838 | 0.911 | 65.966 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | L | 110 | THR | 0 | 0.015 | 0.005 | 69.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | L | 111 | VAL | 0 | 0.002 | 0.019 | 72.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | L | 112 | ALA | 0 | -0.040 | -0.005 | 73.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | L | 113 | ALA | 0 | 0.046 | 0.014 | 74.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | L | 114 | PRO | 0 | -0.017 | 0.005 | 74.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | L | 115 | SER | 0 | -0.005 | -0.002 | 76.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | L | 116 | VAL | 0 | -0.007 | -0.009 | 77.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | L | 117 | PHE | 0 | -0.015 | -0.009 | 77.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | L | 118 | ILE | 0 | -0.018 | -0.014 | 78.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | L | 119 | PHE | 0 | -0.013 | -0.002 | 77.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | L | 120 | PRO | 0 | -0.007 | 0.001 | 79.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | L | 121 | PRO | 0 | 0.014 | 0.012 | 78.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | L | 122 | SER | 0 | 0.003 | -0.012 | 79.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | L | 123 | ASP | -1 | -0.803 | -0.923 | 81.087 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | L | 124 | GLU | -1 | -0.803 | -0.897 | 79.953 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | L | 125 | GLN | 0 | 0.006 | 0.004 | 74.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | L | 126 | LEU | 0 | 0.022 | 0.018 | 78.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | L | 127 | LYS | 1 | 0.892 | 0.945 | 81.269 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | L | 128 | SER | 0 | -0.061 | -0.038 | 76.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | L | 129 | GLY | 0 | 0.034 | 0.024 | 77.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | L | 130 | THR | 0 | -0.051 | -0.020 | 72.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | L | 131 | ALA | 0 | 0.008 | -0.005 | 76.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | L | 132 | SER | 0 | -0.020 | -0.016 | 72.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | L | 133 | VAL | 0 | -0.027 | 0.002 | 75.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | L | 134 | VAL | 0 | -0.003 | 0.005 | 73.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | L | 195 | CYS | 0 | -0.053 | -0.009 | 74.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | L | 136 | LEU | 0 | -0.026 | -0.001 | 72.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | L | 137 | LEU | 0 | 0.021 | 0.013 | 71.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | L | 138 | ASN | 0 | 0.031 | -0.011 | 72.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | L | 139 | ASN | 0 | -0.013 | -0.004 | 72.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | L | 140 | PHE | 0 | -0.021 | 0.004 | 69.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | L | 141 | TYR | 0 | -0.002 | -0.033 | 65.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | L | 142 | PRO | 0 | 0.056 | 0.030 | 66.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | L | 143 | ARG | 1 | 0.919 | 0.947 | 60.832 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | L | 144 | GLU | -1 | -0.893 | -0.948 | 63.400 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | L | 145 | ALA | 0 | -0.030 | -0.009 | 67.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | L | 146 | LYS | 1 | 0.833 | 0.915 | 69.305 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | L | 147 | VAL | 0 | 0.063 | 0.031 | 70.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | L | 148 | GLN | 0 | -0.040 | -0.021 | 71.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | L | 149 | TRP | 0 | 0.021 | 0.007 | 72.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | L | 150 | LYS | 1 | 0.881 | 0.928 | 75.759 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | L | 151 | VAL | 0 | 0.001 | -0.002 | 78.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | L | 152 | ASP | -1 | -0.789 | -0.893 | 80.818 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | L | 153 | ASN | 0 | -0.047 | -0.028 | 82.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | L | 154 | ALA | 0 | 0.029 | 0.035 | 79.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | L | 155 | LEU | 0 | -0.011 | -0.014 | 75.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | L | 156 | GLN | 0 | -0.033 | -0.022 | 73.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | L | 157 | SER | 0 | 0.002 | -0.012 | 68.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | L | 158 | GLY | 0 | 0.031 | 0.019 | 66.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | L | 159 | ASN | 0 | 0.008 | 0.010 | 67.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | L | 160 | SER | 0 | 0.032 | 0.017 | 69.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | L | 161 | GLN | 0 | -0.019 | 0.005 | 64.297 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | L | 162 | GLU | -1 | -0.827 | -0.884 | 65.245 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | L | 163 | SER | 0 | -0.020 | 0.001 | 63.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | L | 164 | VAL | 0 | -0.017 | -0.022 | 63.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | L | 165 | THR | 0 | 0.019 | 0.015 | 63.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | L | 166 | GLU | -1 | -0.906 | -0.967 | 59.777 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | L | 167 | GLN | 0 | -0.059 | -0.027 | 62.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | L | 168 | ASP | -1 | -0.756 | -0.867 | 64.269 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | L | 169 | SER | 0 | -0.006 | -0.014 | 65.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | L | 170 | LYS | 1 | 0.827 | 0.913 | 66.796 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | L | 171 | ASP | -1 | -0.758 | -0.853 | 70.560 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | L | 172 | SER | 0 | -0.039 | -0.012 | 66.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | L | 173 | THR | 0 | -0.084 | -0.060 | 67.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | L | 174 | TYR | 0 | -0.018 | -0.044 | 62.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | L | 175 | SER | 0 | 0.041 | 0.020 | 67.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | L | 176 | LEU | 0 | -0.039 | -0.013 | 67.517 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | L | 177 | SER | 0 | 0.005 | 0.002 | 68.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | L | 178 | SER | 0 | -0.027 | -0.043 | 68.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | L | 179 | THR | 0 | 0.008 | -0.006 | 69.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | L | 180 | LEU | 0 | -0.020 | -0.009 | 70.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | L | 181 | THR | 0 | -0.018 | -0.005 | 70.580 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | L | 182 | LEU | 0 | -0.030 | 0.003 | 72.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | L | 183 | SER | 0 | 0.006 | -0.031 | 74.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | L | 184 | LYS | 1 | 0.970 | 0.979 | 76.567 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | L | 185 | ALA | 0 | 0.013 | 0.008 | 79.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | L | 186 | ASP | -1 | -0.828 | -0.890 | 76.509 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | L | 187 | TYR | 0 | 0.005 | 0.005 | 79.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | L | 188 | GLU | -1 | -0.795 | -0.923 | 81.326 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | L | 189 | LYS | 1 | 0.870 | 0.959 | 82.291 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | L | 190 | HIS | 1 | 0.886 | 0.948 | 79.719 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | L | 191 | LYS | 1 | 0.850 | 0.918 | 84.651 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | L | 192 | VAL | 0 | 0.008 | 0.006 | 84.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | L | 193 | TYR | 0 | -0.008 | -0.012 | 79.485 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | L | 194 | ALA | 0 | 0.002 | -0.014 | 80.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | L | 196 | GLU | -1 | -0.873 | -0.924 | 77.112 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | L | 197 | VAL | 0 | 0.031 | 0.006 | 74.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | L | 198 | THR | 0 | -0.008 | -0.007 | 73.892 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | L | 199 | HIS | 0 | 0.021 | -0.002 | 70.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | L | 200 | GLN | 0 | 0.037 | 0.020 | 70.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | L | 201 | GLY | 0 | 0.004 | -0.011 | 73.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | L | 202 | LEU | 0 | -0.076 | -0.035 | 76.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | L | 203 | SER | 0 | 0.020 | 0.012 | 78.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | L | 204 | SER | 0 | -0.002 | -0.005 | 80.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | L | 205 | PRO | 0 | -0.022 | -0.012 | 78.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | L | 206 | VAL | 0 | 0.006 | 0.017 | 79.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | L | 207 | THR | 0 | 0.007 | -0.002 | 79.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | L | 208 | LYS | 1 | 0.895 | 0.959 | 80.780 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | L | 209 | SER | 0 | 0.040 | 0.002 | 81.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | L | 210 | PHE | 0 | -0.045 | -0.016 | 81.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | L | 211 | ASN | 0 | 0.000 | -0.003 | 85.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | L | 212 | ARG | 1 | 0.792 | 0.874 | 84.350 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | L | 213 | GLY | 0 | -0.006 | -0.011 | 87.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | L | 214 | GLU | -1 | -0.798 | -0.854 | 89.560 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |