![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 722JK
Calculation Name: 4C95-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4C95
Chain ID: C
UniProt ID: Q01454
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 296 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4564687.140502 |
---|---|
FMO2-HF: Nuclear repulsion | 4445781.923784 |
FMO2-HF: Total energy | -118905.216718 |
FMO2-MP2: Total energy | -119252.067222 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F025219/ligand_interaction/ligand_F025219.png)
Ligand Interaction
![ligand interaction](./Kdata/F025219/ligand_interaction/ligand_interaction_F025219.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(C:474:PHE)
Summations of interaction energy for
fragment #1(C:474:PHE)
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. |
-8.811 | 2.091 | 5.266 | -3.873 | -12.294 | -0.006 |
Interaction energy analysis for fragmet #1(C:474:PHE)
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 | C | 476 | TYR | 0 | 0.032 | 0.004 | 2.988 | -4.138 | 1.480 | 1.652 | -2.118 | -5.152 | -0.003 |
4 | C | 477 | MET | 0 | -0.065 | -0.025 | 4.601 | -0.317 | -0.041 | 0.001 | -0.039 | -0.237 | 0.000 |
5 | C | 478 | PRO | 0 | -0.022 | -0.008 | 6.685 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 479 | PHE | 0 | 0.038 | 0.016 | 7.665 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 480 | SER | 0 | -0.024 | -0.028 | 9.579 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 481 | PRO | 0 | -0.022 | -0.001 | 13.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 482 | ALA | 0 | 0.079 | 0.046 | 14.448 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 483 | GLY | 0 | 0.036 | 0.037 | 14.301 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 484 | THR | 0 | -0.002 | -0.009 | 14.645 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 485 | PRO | 0 | 0.022 | 0.012 | 13.602 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 486 | PHE | 0 | 0.028 | -0.001 | 15.465 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 487 | GLY | 0 | 0.008 | 0.033 | 17.205 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 488 | PHE | 0 | -0.014 | -0.015 | 18.662 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 489 | THR | 0 | -0.037 | -0.020 | 21.645 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 490 | ASP | -1 | -0.832 | -0.917 | 22.355 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 491 | ARG | 1 | 0.897 | 0.958 | 23.225 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | C | 492 | ARG | 1 | 0.843 | 0.940 | 15.208 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 493 | TYR | 0 | 0.024 | -0.015 | 19.339 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 494 | LEU | 0 | -0.079 | -0.034 | 17.229 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 495 | THR | 0 | -0.023 | -0.030 | 16.281 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 496 | MET | 0 | -0.040 | -0.024 | 18.181 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 497 | ASN | 0 | 0.004 | -0.002 | 19.573 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 498 | GLU | -1 | -0.833 | -0.933 | 22.099 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | C | 499 | VAL | 0 | -0.051 | -0.003 | 25.050 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 500 | GLY | 0 | 0.023 | -0.012 | 25.152 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 501 | TYR | 0 | -0.027 | -0.006 | 23.075 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 502 | VAL | 0 | 0.010 | 0.012 | 21.323 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 503 | SER | 0 | -0.017 | 0.000 | 21.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 504 | THR | 0 | -0.006 | -0.002 | 20.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 505 | VAL | 0 | 0.007 | -0.015 | 23.106 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 506 | LYS | 1 | 0.930 | 0.965 | 19.937 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 507 | ASN | 0 | 0.019 | 0.014 | 25.640 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 508 | SER | 0 | -0.006 | -0.005 | 28.828 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 509 | GLU | -1 | -0.946 | -0.970 | 30.096 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 510 | GLN | 0 | -0.079 | -0.029 | 27.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 511 | TYR | 0 | -0.021 | -0.014 | 21.444 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 512 | SER | 0 | 0.002 | 0.017 | 26.064 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 513 | ILE | 0 | -0.004 | -0.003 | 22.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 514 | THR | 0 | -0.007 | -0.008 | 25.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 515 | VAL | 0 | -0.041 | -0.018 | 25.199 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | C | 516 | SER | 0 | 0.046 | 0.024 | 26.919 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 517 | PHE | 0 | -0.005 | -0.022 | 27.623 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 518 | PHE | 0 | 0.001 | 0.004 | 25.535 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | C | 519 | ASP | -1 | -0.892 | -0.938 | 30.976 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 520 | VAL | 0 | -0.014 | -0.024 | 33.832 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 521 | GLY | 0 | -0.014 | 0.005 | 35.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 522 | ARG | 1 | 0.867 | 0.960 | 32.600 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 523 | PHE | 0 | -0.026 | -0.023 | 31.415 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | C | 524 | ARG | 1 | 0.956 | 0.975 | 34.328 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | C | 525 | GLU | -1 | -0.895 | -0.950 | 31.055 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 526 | TYR | 0 | -0.070 | -0.030 | 28.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 527 | HIS | 0 | 0.029 | 0.009 | 29.731 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 528 | PHE | 0 | -0.057 | -0.032 | 25.258 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 529 | GLU | -1 | -0.857 | -0.929 | 28.804 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 530 | ASP | -1 | -0.820 | -0.912 | 22.952 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 531 | LEU | 0 | 0.030 | -0.003 | 26.215 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 532 | PHE | 0 | -0.063 | -0.027 | 22.991 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 533 | GLY | 0 | 0.012 | 0.013 | 21.498 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 534 | TYR | 0 | -0.123 | -0.075 | 19.044 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 535 | ASP | -1 | -0.784 | -0.881 | 14.048 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 536 | LEU | 0 | -0.080 | -0.022 | 11.522 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 537 | CYS | 0 | -0.039 | -0.023 | 15.373 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 538 | PHE | 0 | 0.052 | 0.020 | 16.478 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 539 | LEU | 0 | 0.044 | 0.038 | 18.857 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 540 | ASN | 0 | 0.017 | 0.031 | 22.240 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 541 | GLU | -1 | -0.836 | -0.935 | 24.700 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 542 | LYS | 1 | 0.857 | 0.913 | 27.748 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 543 | GLY | 0 | 0.070 | 0.042 | 27.214 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 544 | THR | 0 | -0.030 | -0.001 | 22.728 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 545 | LEU | 0 | -0.048 | -0.019 | 19.116 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 546 | PHE | 0 | 0.019 | 0.004 | 19.811 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 547 | GLY | 0 | 0.032 | -0.001 | 17.311 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 548 | GLN | 0 | -0.009 | 0.011 | 17.213 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 549 | SER | 0 | -0.050 | -0.051 | 12.100 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 550 | LYS | 1 | 0.912 | 0.939 | 13.631 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 551 | THR | 0 | 0.025 | 0.005 | 15.527 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 552 | GLY | 0 | 0.065 | 0.040 | 16.997 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 553 | GLN | 0 | -0.011 | 0.019 | 17.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 554 | ILE | 0 | 0.007 | -0.004 | 18.663 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 555 | GLN | 0 | 0.034 | 0.000 | 21.277 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 556 | TYR | 0 | 0.002 | 0.008 | 23.527 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 557 | ARG | 1 | 0.935 | 0.956 | 25.589 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 558 | PRO | 0 | -0.027 | -0.008 | 28.006 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 559 | HIS | 0 | 0.001 | -0.010 | 27.154 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 560 | ASP | -1 | -0.863 | -0.917 | 31.556 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 561 | SER | 0 | -0.022 | -0.028 | 34.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 562 | ILE | 0 | -0.085 | -0.028 | 37.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 563 | HIS | 0 | -0.038 | -0.017 | 33.633 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 564 | SER | 0 | 0.011 | 0.008 | 34.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 565 | ASN | 0 | 0.041 | 0.013 | 29.887 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 566 | TRP | 0 | -0.053 | -0.023 | 23.921 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 567 | THR | 0 | 0.020 | 0.004 | 25.422 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 568 | LYS | 1 | 0.888 | 0.951 | 23.564 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 569 | ILE | 0 | 0.028 | 0.015 | 21.766 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 570 | ILE | 0 | -0.066 | -0.037 | 16.811 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 571 | PRO | 0 | -0.037 | -0.029 | 19.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 572 | LEU | 0 | -0.015 | 0.005 | 13.984 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 573 | GLN | 0 | 0.010 | 0.001 | 15.309 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 574 | ALA | 0 | 0.045 | 0.009 | 15.518 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 575 | GLY | 0 | -0.035 | -0.020 | 11.779 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 576 | GLU | -1 | -0.832 | -0.906 | 10.636 | -0.608 | -0.608 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 577 | ARG | 1 | 0.942 | 0.967 | 9.317 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 578 | ILE | 0 | -0.001 | 0.005 | 10.164 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 579 | THR | 0 | -0.056 | -0.081 | 6.322 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 580 | SER | 0 | 0.097 | 0.044 | 9.191 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 581 | VAL | 0 | -0.030 | 0.001 | 11.560 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 582 | ALA | 0 | 0.013 | 0.000 | 15.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 583 | ALA | 0 | -0.001 | 0.003 | 17.773 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 584 | THR | 0 | -0.022 | -0.012 | 21.544 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 585 | PRO | 0 | 0.020 | -0.003 | 24.541 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 586 | VAL | 0 | 0.000 | 0.013 | 27.064 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 587 | ARG | 1 | 0.858 | 0.932 | 23.080 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 588 | VAL | 0 | 0.021 | 0.029 | 21.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 589 | ILE | 0 | -0.026 | -0.022 | 16.055 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 590 | VAL | 0 | 0.022 | 0.007 | 14.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 591 | GLY | 0 | 0.036 | 0.018 | 11.828 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 592 | THR | 0 | -0.014 | -0.004 | 10.405 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 593 | SER | 0 | 0.084 | 0.034 | 6.559 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 594 | LEU | 0 | -0.033 | -0.016 | 7.257 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 595 | GLY | 0 | -0.005 | 0.006 | 9.518 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 596 | TYR | 0 | -0.076 | -0.019 | 10.634 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 597 | PHE | 0 | 0.037 | 0.006 | 13.455 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 598 | ARG | 1 | 0.954 | 0.981 | 15.491 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 599 | SER | 0 | 0.005 | 0.008 | 18.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 600 | PHE | 0 | 0.009 | -0.003 | 19.998 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 601 | ASN | 0 | 0.085 | 0.050 | 24.236 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 602 | GLN | 0 | 0.066 | 0.023 | 26.602 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 603 | PHE | 0 | -0.018 | -0.009 | 28.097 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 604 | GLY | 0 | 0.037 | 0.039 | 26.290 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 605 | VAL | 0 | -0.037 | -0.031 | 26.916 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 606 | PRO | 0 | -0.024 | -0.011 | 24.994 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 607 | PHE | 0 | -0.027 | -0.026 | 24.643 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 608 | ALA | 0 | 0.008 | 0.005 | 22.538 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 609 | VAL | 0 | -0.026 | -0.018 | 18.916 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 610 | GLU | -1 | -0.793 | -0.858 | 17.462 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 611 | LYS | 1 | 0.915 | 0.974 | 13.178 | 0.566 | 0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 612 | THR | 0 | -0.012 | -0.019 | 11.656 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 613 | SER | 0 | 0.019 | -0.013 | 9.063 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 614 | PRO | 0 | -0.035 | -0.012 | 5.436 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 615 | ILE | 0 | -0.004 | 0.018 | 6.636 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 616 | VAL | 0 | -0.023 | 0.016 | 3.280 | -0.685 | -0.238 | 0.035 | -0.099 | -0.383 | 0.000 |
144 | C | 617 | ALA | 0 | 0.017 | 0.015 | 6.160 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 618 | LEU | 0 | -0.033 | -0.012 | 9.173 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 619 | THR | 0 | 0.051 | 0.034 | 12.917 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 620 | ALA | 0 | -0.006 | -0.008 | 16.173 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 621 | GLN | 0 | 0.061 | 0.023 | 19.733 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 622 | ASN | 0 | 0.002 | -0.002 | 23.291 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 623 | TYR | 0 | 0.037 | 0.018 | 25.337 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 624 | ARG | 1 | 0.883 | 0.972 | 22.357 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 625 | VAL | 0 | -0.024 | -0.015 | 16.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 626 | PHE | 0 | 0.019 | 0.002 | 14.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | C | 627 | SER | 0 | -0.019 | -0.027 | 12.075 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 628 | VAL | 0 | 0.031 | 0.017 | 7.484 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | C | 629 | HIS | 0 | -0.018 | -0.013 | 7.405 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | C | 630 | TYR | 0 | 0.016 | 0.007 | 3.168 | -2.870 | -0.050 | 0.842 | -0.710 | -2.952 | -0.004 |
158 | C | 631 | SER | 0 | -0.003 | 0.001 | 5.417 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 632 | GLN | 0 | -0.007 | -0.021 | 6.147 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 633 | PHE | 0 | -0.030 | -0.006 | 7.169 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 634 | HIS | 0 | 0.026 | 0.006 | 10.534 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 635 | GLY | 0 | 0.014 | 0.028 | 7.386 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 636 | LEU | 0 | 0.018 | -0.007 | 5.031 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 637 | SER | 0 | -0.002 | 0.014 | 8.266 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 638 | TYR | 0 | 0.006 | 0.004 | 10.316 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 639 | SER | 0 | -0.008 | 0.006 | 12.957 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 640 | LEU | 0 | -0.027 | 0.000 | 15.462 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 641 | SER | 0 | -0.024 | -0.013 | 18.666 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 642 | GLU | -1 | -0.817 | -0.885 | 20.882 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 643 | LEU | 0 | -0.034 | -0.025 | 20.738 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 644 | GLY | 0 | 0.024 | 0.002 | 24.657 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 645 | THR | 0 | -0.013 | -0.017 | 28.406 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 646 | SER | 0 | 0.003 | 0.027 | 30.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 647 | SER | 0 | 0.055 | 0.005 | 26.892 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 648 | LYS | 1 | 0.815 | 0.941 | 17.423 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 649 | ARG | 1 | 0.979 | 1.003 | 24.535 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 650 | TYR | 0 | -0.082 | -0.101 | 17.057 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 651 | TYR | 0 | -0.113 | -0.094 | 21.881 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 652 | LYS | 1 | 0.930 | 0.960 | 18.698 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 653 | ARG | 1 | 0.970 | 0.973 | 17.240 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 654 | GLU | -1 | -0.852 | -0.904 | 12.772 | -0.588 | -0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 655 | CYS | 0 | -0.059 | -0.016 | 14.436 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 656 | PRO | 0 | 0.098 | 0.023 | 14.147 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 657 | LEU | 0 | -0.003 | 0.003 | 9.732 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 658 | PRO | 0 | -0.029 | -0.003 | 12.858 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 659 | MET | 0 | -0.024 | -0.003 | 8.510 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 660 | SER | 0 | 0.029 | 0.016 | 12.196 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 661 | LEU | 0 | -0.021 | -0.013 | 6.433 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 662 | PRO | 0 | -0.046 | -0.017 | 6.998 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 663 | ASN | 0 | 0.014 | 0.030 | 9.838 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 671 | ASP | -1 | -0.864 | -0.951 | 15.862 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 672 | ALA | 0 | 0.005 | -0.002 | 17.766 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 673 | ASN | 0 | -0.031 | 0.007 | 15.239 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 674 | LEU | 0 | 0.063 | 0.027 | 12.269 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 675 | ASP | -1 | -0.910 | -0.965 | 12.195 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 676 | TYR | 0 | 0.016 | 0.010 | 11.150 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 677 | TYR | 0 | 0.027 | 0.013 | 8.441 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 678 | ASN | 0 | -0.030 | -0.014 | 7.065 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 679 | PHE | 0 | -0.060 | -0.017 | 8.201 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 680 | ASN | 0 | -0.073 | -0.058 | 6.954 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 681 | PRO | 0 | 0.026 | 0.012 | 2.377 | -0.917 | -0.224 | 0.543 | -0.312 | -0.924 | -0.001 |
202 | C | 682 | MET | 0 | -0.028 | -0.016 | 2.185 | -1.231 | -0.205 | 2.194 | -0.593 | -2.627 | 0.002 |
203 | C | 683 | GLY | 0 | 0.028 | 0.010 | 5.067 | 0.248 | 0.270 | -0.001 | -0.002 | -0.019 | 0.000 |
204 | C | 684 | ILE | 0 | -0.022 | -0.008 | 7.352 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 685 | LYS | 1 | 0.902 | 0.981 | 9.851 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 686 | SER | 0 | 0.025 | -0.003 | 12.960 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 687 | LEU | 0 | -0.033 | -0.008 | 11.532 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 688 | PHE | 0 | 0.001 | 0.002 | 14.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 689 | PHE | 0 | -0.034 | -0.012 | 18.201 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 690 | SER | 0 | 0.067 | 0.048 | 21.254 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 691 | SER | 0 | 0.026 | 0.006 | 24.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 692 | TYR | 0 | 0.010 | 0.016 | 26.566 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 693 | GLY | 0 | -0.092 | -0.035 | 25.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 694 | ASP | -1 | -0.866 | -0.944 | 23.358 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 695 | PRO | 0 | -0.044 | -0.013 | 18.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 696 | CYS | 0 | -0.021 | -0.003 | 18.492 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 697 | ILE | 0 | -0.018 | -0.016 | 10.816 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 698 | PHE | 0 | 0.041 | 0.022 | 14.363 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 699 | GLY | 0 | 0.067 | 0.024 | 12.248 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 700 | SER | 0 | 0.018 | -0.012 | 10.890 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 701 | ASP | -1 | -0.893 | -0.949 | 13.059 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 702 | ASN | 0 | -0.025 | 0.003 | 15.880 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 703 | THR | 0 | 0.057 | 0.046 | 17.452 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 704 | LEU | 0 | -0.046 | -0.020 | 17.828 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 705 | LEU | 0 | -0.019 | -0.007 | 15.591 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 706 | LEU | 0 | 0.039 | 0.005 | 18.966 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 707 | LEU | 0 | -0.046 | -0.012 | 18.828 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 708 | SER | 0 | 0.040 | 0.019 | 21.322 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 709 | LYS | 1 | 0.971 | 0.961 | 25.077 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 710 | TRP | 0 | 0.012 | 0.005 | 22.767 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 711 | ARG | 1 | 0.887 | 0.941 | 24.671 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 712 | SER | 0 | 0.031 | 0.018 | 27.579 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 713 | PRO | 0 | -0.036 | 0.001 | 25.691 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 714 | GLU | -1 | -0.922 | -0.944 | 26.402 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 715 | GLU | -1 | -0.927 | -0.958 | 28.690 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 716 | SER | 0 | -0.101 | -0.075 | 23.524 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 717 | LYS | 1 | 0.943 | 0.969 | 22.818 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 718 | TRP | 0 | 0.026 | 0.003 | 16.349 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 719 | LEU | 0 | -0.053 | -0.031 | 21.245 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 720 | PRO | 0 | 0.053 | 0.022 | 21.504 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 721 | ILE | 0 | -0.034 | -0.014 | 22.592 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 722 | LEU | 0 | 0.056 | 0.019 | 23.505 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 723 | ASP | -1 | -0.808 | -0.901 | 22.429 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 724 | SER | 0 | -0.051 | -0.055 | 21.159 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 725 | ASN | 0 | 0.046 | 0.017 | 20.266 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 726 | MET | 0 | 0.011 | 0.008 | 24.202 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 727 | GLU | -1 | -0.921 | -0.973 | 27.157 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 728 | ILE | 0 | 0.029 | 0.016 | 24.393 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 729 | TRP | 0 | -0.043 | -0.004 | 28.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 730 | LYS | 1 | 0.906 | 0.943 | 30.123 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 731 | MET | 0 | -0.031 | -0.005 | 31.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 732 | SER | 0 | -0.051 | -0.008 | 30.913 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 733 | GLY | 0 | -0.045 | -0.024 | 33.546 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 734 | GLY | 0 | -0.020 | 0.002 | 34.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 735 | LYS | 1 | 0.874 | 0.927 | 33.434 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 736 | GLU | -1 | -0.837 | -0.936 | 28.347 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 737 | THR | 0 | -0.027 | 0.001 | 29.083 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 738 | THR | 0 | -0.014 | -0.008 | 24.492 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 739 | ASP | -1 | -0.925 | -0.962 | 25.037 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 740 | ILE | 0 | -0.045 | -0.030 | 25.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 741 | HIS | 0 | 0.029 | 0.022 | 20.371 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 742 | VAL | 0 | 0.033 | 0.017 | 21.480 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 743 | TRP | 0 | -0.064 | -0.044 | 14.872 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 744 | PRO | 0 | -0.024 | 0.005 | 17.216 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 745 | LEU | 0 | -0.045 | -0.019 | 19.392 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 746 | ALA | 0 | 0.005 | -0.003 | 21.207 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 747 | LEU | 0 | -0.014 | -0.002 | 22.813 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 748 | ALA | 0 | 0.004 | -0.004 | 24.562 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 749 | TYR | 0 | -0.056 | -0.043 | 28.203 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 750 | ASP | -1 | -0.856 | -0.930 | 29.942 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 751 | THR | 0 | 0.014 | 0.020 | 29.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 752 | LEU | 0 | -0.046 | -0.031 | 22.022 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 753 | ASN | 0 | 0.055 | 0.032 | 25.322 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 754 | CYS | 0 | -0.047 | -0.034 | 23.533 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 755 | ILE | 0 | 0.030 | 0.018 | 23.168 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 756 | LEU | 0 | 0.023 | 0.009 | 23.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 757 | VAL | 0 | -0.029 | -0.019 | 21.655 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 758 | LYS | 1 | 0.981 | 0.989 | 24.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 759 | GLY | 0 | 0.016 | 0.010 | 25.547 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 760 | LYS | 1 | 0.955 | 0.975 | 23.064 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 761 | HIS | 1 | 0.843 | 0.920 | 19.355 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 762 | ILE | 0 | 0.021 | 0.006 | 14.431 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 763 | TRP | 0 | -0.013 | -0.014 | 15.837 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 764 | PRO | 0 | 0.009 | 0.020 | 18.799 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 765 | GLU | -1 | -0.862 | -0.945 | 21.282 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 766 | PHE | 0 | -0.057 | 0.003 | 23.045 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 767 | PRO | 0 | -0.001 | -0.020 | 27.116 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 768 | LEU | 0 | 0.017 | 0.000 | 24.097 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 769 | PRO | 0 | -0.033 | -0.015 | 26.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 770 | LEU | 0 | 0.030 | 0.011 | 28.667 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 771 | PRO | 0 | 0.000 | -0.003 | 27.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 772 | SER | 0 | -0.066 | -0.032 | 27.937 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 773 | GLU | -1 | -0.915 | -0.966 | 28.407 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 774 | MET | 0 | -0.070 | -0.025 | 25.721 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 775 | GLU | -1 | -0.856 | -0.927 | 28.984 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 776 | ILE | 0 | -0.070 | -0.023 | 27.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |