FMODB ID: 7J98K
Calculation Name: 6XC4-AHL-Xray232
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 6XC4
Chain ID: AHL
UniProt ID: P0DTC2
Base Structure: X-ray
Registration Date: 2021-05-23
Reference: C. Watanabe, T. Honma et. al., Interaction energy analysis between SARS-CoV-2 spike protein and antibodiy, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | All crystal waters in PDB. |
Procedure | Auto-FMO protocol ver. 2.20210516 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 946 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14921985.759653 |
---|---|
FMO2-HF: Nuclear repulsion | 14655191.528886 |
FMO2-HF: Total energy | -266794.230767 |
FMO2-MP2: Total energy | -267564.247433 |
3D Structure
Ligand structure
Ligand Interaction
SARS-CoV-2 spike protein and antibody binding energy (frag 1-195 : frag 196-624)
"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. |
-367.2809 | -341.4331 | 226.8278 | -104.6689 | -148.0067 | 0.0239 |
Interactive mode: IFIE and PIEDA for fragment #1(A:334:ASN )
Summations of interaction energy for
fragment #1(A:334:ASN )
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. |
-12.468 | -14.604 | 11.497 | -5.089 | -4.272 | 0.033 |
Interaction energy analysis for fragmet #1(A:334:ASN )
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 | 361 | CYS | 0 | -0.070 | 0.001 | 2.964 | -5.740 | -2.171 | 0.109 | -1.766 | -1.912 | 0.003 |
4 | A | 337 | PRO | 0 | 0.020 | 0.027 | 5.242 | 1.154 | 1.154 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 338 | PHE | 0 | 0.035 | -0.005 | 7.345 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 339 | GLY | 0 | 0.028 | 0.013 | 9.750 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 340 | GLU | -1 | -0.840 | -0.914 | 9.234 | 0.911 | 0.911 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 341 | VAL | 0 | -0.017 | 0.007 | 12.357 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 342 | PHE | 0 | 0.053 | 0.020 | 14.544 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 343 | ASN | 0 | -0.002 | -0.002 | 14.190 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 344 | ALA | 0 | 0.023 | 0.037 | 16.650 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 345 | THR | 0 | 0.030 | 0.003 | 17.810 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 346 | ARG | 1 | 0.896 | 0.962 | 20.838 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 347 | PHE | 0 | 0.031 | 0.025 | 19.431 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 348 | ALA | 0 | -0.005 | 0.007 | 22.488 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 349 | SER | 0 | -0.018 | -0.016 | 24.260 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 350 | VAL | 0 | -0.027 | 0.004 | 27.247 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 351 | TYR | 0 | 0.018 | 0.006 | 28.290 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 352 | ALA | 0 | -0.024 | 0.000 | 26.917 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 353 | TRP | 0 | -0.048 | -0.007 | 21.823 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 354 | ASN | 0 | 0.039 | 0.029 | 18.839 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 355 | ARG | 1 | 0.815 | 0.877 | 17.984 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 356 | LYS | 1 | 0.831 | 0.923 | 9.861 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 357 | ARG | 1 | 0.824 | 0.892 | 12.581 | 0.581 | 0.581 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 358 | ILE | 0 | -0.038 | -0.015 | 8.548 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 359 | SER | 0 | 0.040 | 0.013 | 7.977 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 360 | ASN | 0 | -0.014 | -0.017 | 5.550 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 362 | VAL | 0 | 0.013 | 0.012 | 3.495 | 1.587 | 2.286 | 0.006 | -0.217 | -0.488 | 0.000 |
29 | A | 363 | ALA | 0 | 0.021 | -0.016 | 5.496 | 1.000 | 1.000 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 364 | ASP | -1 | -0.806 | -0.869 | 8.889 | 0.655 | 0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 365 | TYR | 0 | -0.003 | -0.023 | 11.005 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 366 | SER | 0 | -0.031 | -0.043 | 13.521 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 367 | VAL | 0 | 0.012 | 0.002 | 11.051 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 368 | LEU | 0 | -0.028 | -0.002 | 14.461 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 369 | TYR | 0 | 0.008 | -0.013 | 16.723 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 370 | ASN | 0 | -0.051 | -0.018 | 17.703 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 371 | SER | 0 | -0.034 | 0.000 | 18.589 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 372 | ALA | 0 | 0.006 | 0.003 | 20.645 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 373 | SER | 0 | -0.056 | -0.043 | 20.782 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 374 | PHE | 0 | -0.035 | -0.015 | 18.249 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 375 | SER | 0 | -0.015 | -0.019 | 24.446 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 376 | THR | 0 | -0.084 | -0.043 | 26.090 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 377 | PHE | 0 | 0.050 | 0.011 | 19.639 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 378 | LYS | 1 | 0.869 | 0.953 | 25.020 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 432 | CYS | 0 | -0.102 | -0.042 | 20.329 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 380 | TYR | 0 | 0.007 | -0.013 | 24.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 381 | GLY | 0 | 0.070 | 0.032 | 24.781 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 382 | VAL | 0 | -0.003 | 0.006 | 19.938 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 383 | SER | 0 | 0.029 | 0.011 | 22.200 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 384 | PRO | 0 | 0.058 | 0.009 | 19.478 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 385 | THR | 0 | -0.064 | -0.044 | 18.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 386 | LYS | 1 | 0.983 | 0.998 | 19.188 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 387 | LEU | 0 | 0.006 | 0.026 | 15.496 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 388 | ASN | 0 | -0.007 | -0.022 | 13.565 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 389 | ASP | -1 | -0.968 | -0.996 | 13.942 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 390 | LEU | 0 | 0.014 | 0.032 | 15.327 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 525 | CYS | 0 | -0.032 | -0.015 | 8.128 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 392 | PHE | 0 | 0.056 | 0.021 | 12.632 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 393 | THR | 0 | 0.021 | 0.025 | 12.506 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 394 | ASN | 0 | -0.011 | -0.006 | 11.867 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 395 | VAL | 0 | 0.000 | 0.009 | 12.001 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 396 | TYR | 0 | -0.045 | -0.035 | 13.437 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 397 | ALA | 0 | 0.045 | 0.022 | 14.149 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 398 | ASP | -1 | -0.690 | -0.769 | 15.970 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 399 | SER | 0 | -0.004 | -0.005 | 18.531 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 400 | PHE | 0 | 0.003 | -0.007 | 20.656 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 401 | VAL | 0 | 0.021 | 0.019 | 24.112 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 402 | ILE | 0 | -0.016 | 0.010 | 27.147 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 403 | ARG | 1 | 0.855 | 0.917 | 30.516 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 404 | GLY | 0 | 0.037 | 0.023 | 32.431 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 405 | ASP | -1 | -0.776 | -0.868 | 33.473 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 406 | GLU | -1 | -0.763 | -0.832 | 33.293 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 407 | VAL | 0 | 0.002 | 0.009 | 28.661 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 408 | ARG | 1 | 0.828 | 0.908 | 30.641 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 409 | GLN | 0 | 0.016 | 0.002 | 32.936 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 410 | ILE | 0 | -0.025 | 0.007 | 26.100 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 411 | ALA | 0 | 0.032 | 0.013 | 28.401 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 412 | PRO | 0 | 0.036 | 0.037 | 28.904 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 413 | GLY | 0 | 0.012 | 0.009 | 31.492 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 414 | GLN | 0 | -0.089 | -0.014 | 33.388 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 415 | THR | 0 | 0.038 | -0.001 | 35.807 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 416 | GLY | 0 | 0.030 | 0.018 | 37.860 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 417 | LYS | 1 | 0.839 | 0.938 | 37.024 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 418 | ILE | 0 | -0.011 | 0.004 | 31.210 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 419 | ALA | 0 | 0.032 | 0.016 | 32.460 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 420 | ASP | -1 | -0.731 | -0.806 | 33.525 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 421 | TYR | 0 | -0.033 | -0.031 | 35.095 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 422 | ASN | 0 | -0.031 | 0.010 | 30.870 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 423 | TYR | 0 | 0.064 | -0.001 | 22.745 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 424 | LYS | 1 | 0.842 | 0.959 | 29.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 425 | LEU | 0 | 0.016 | 0.023 | 24.969 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 426 | PRO | 0 | 0.019 | 0.017 | 26.505 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 427 | ASP | -1 | -0.752 | -0.857 | 29.539 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 428 | ASP | -1 | -0.869 | -0.912 | 28.388 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 429 | PHE | 0 | -0.065 | -0.025 | 22.716 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 430 | THR | 0 | 0.003 | 0.007 | 22.022 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 431 | GLY | 0 | -0.003 | -0.017 | 20.803 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 433 | VAL | 0 | 0.015 | 0.011 | 21.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 434 | ILE | 0 | -0.026 | -0.003 | 18.905 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 435 | ALA | 0 | -0.005 | -0.007 | 22.755 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 436 | TRP | 0 | 0.018 | 0.012 | 19.612 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 437 | ASN | 0 | -0.017 | -0.006 | 25.820 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 438 | SER | 0 | 0.009 | -0.028 | 25.881 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 439 | ASN | 0 | 0.020 | 0.013 | 27.644 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 440 | ASN | 0 | -0.011 | -0.007 | 28.364 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 441 | LEU | 0 | -0.029 | -0.007 | 23.464 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 442 | ASP | -1 | -0.752 | -0.801 | 26.563 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 443 | SER | 0 | 0.010 | -0.002 | 29.241 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 444 | LYS | 1 | 0.854 | 0.924 | 32.101 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 445 | VAL | 0 | 0.059 | 0.019 | 35.455 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 446 | GLY | 0 | 0.026 | 0.023 | 38.970 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 447 | GLY | 0 | 0.037 | 0.038 | 38.182 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 448 | ASN | 0 | -0.090 | -0.069 | 30.956 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 449 | TYR | 0 | 0.017 | -0.019 | 34.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 450 | ASN | 0 | -0.010 | 0.002 | 30.516 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 451 | TYR | 0 | -0.049 | -0.029 | 26.274 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 452 | LEU | 0 | 0.025 | 0.012 | 31.259 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 453 | TYR | 0 | 0.027 | -0.008 | 31.713 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 454 | ARG | 1 | 0.801 | 0.864 | 33.337 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 455 | LEU | 0 | -0.035 | 0.007 | 36.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 456 | PHE | 0 | -0.023 | -0.005 | 39.570 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 457 | ARG | 1 | 0.762 | 0.855 | 35.360 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 458 | LYS | 1 | 0.866 | 0.949 | 40.470 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 459 | SER | 0 | -0.014 | 0.011 | 39.936 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 460 | ASN | 0 | 0.076 | 0.047 | 36.869 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 461 | LEU | 0 | -0.052 | 0.016 | 30.848 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 462 | LYS | 1 | 0.905 | 0.929 | 31.366 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 463 | PRO | 0 | 0.020 | -0.003 | 28.461 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 464 | PHE | 0 | -0.025 | -0.012 | 23.288 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 465 | GLU | -1 | -0.713 | -0.784 | 26.123 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 466 | ARG | 1 | 0.831 | 0.911 | 22.141 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 467 | ASP | -1 | -0.733 | -0.816 | 28.592 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 468 | ILE | 0 | 0.038 | 0.012 | 28.324 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 469 | SER | 0 | -0.020 | -0.003 | 31.693 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 470 | THR | 0 | 0.009 | 0.000 | 34.978 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 471 | GLU | -1 | -0.820 | -0.855 | 37.573 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 472 | ILE | 0 | -0.002 | 0.007 | 40.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 473 | TYR | 0 | -0.044 | -0.034 | 42.033 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 474 | GLN | 0 | 0.036 | 0.023 | 44.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 475 | ALA | 0 | -0.024 | -0.009 | 47.524 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 476 | GLY | 0 | 0.071 | 0.023 | 49.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 477 | SER | 0 | -0.003 | 0.011 | 52.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 478 | THR | 0 | -0.004 | 0.013 | 54.156 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 479 | PRO | 0 | 0.020 | 0.016 | 50.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 488 | CYS | 0 | 0.021 | 0.018 | 47.871 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 481 | ASN | 0 | -0.023 | -0.001 | 49.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 482 | GLY | 0 | 0.029 | 0.025 | 45.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 483 | VAL | 0 | -0.026 | -0.011 | 46.299 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 484 | GLU | -1 | -0.849 | -0.933 | 44.512 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 485 | GLY | 0 | 0.001 | -0.014 | 48.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 486 | PHE | 0 | -0.009 | -0.007 | 51.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 487 | ASN | 0 | -0.060 | -0.034 | 51.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 489 | TYR | 0 | 0.071 | 0.052 | 45.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 490 | PHE | 0 | 0.060 | 0.022 | 37.511 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 491 | PRO | 0 | -0.037 | -0.002 | 38.236 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 492 | LEU | 0 | -0.031 | -0.011 | 34.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 493 | GLN | 0 | 0.055 | 0.032 | 37.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 494 | SER | 0 | 0.014 | 0.001 | 35.710 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 495 | TYR | 0 | -0.089 | -0.072 | 32.056 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 496 | GLY | 0 | 0.013 | 0.020 | 36.338 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 497 | PHE | 0 | -0.008 | 0.001 | 31.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 498 | GLN | 0 | 0.008 | 0.007 | 35.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 499 | PRO | 0 | 0.000 | 0.005 | 35.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 500 | THR | 0 | 0.037 | 0.019 | 36.520 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 501 | ASN | 0 | -0.024 | 0.010 | 37.475 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 502 | GLY | 0 | 0.061 | 0.029 | 38.695 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 503 | VAL | 0 | 0.038 | 0.006 | 34.822 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 504 | GLY | 0 | 0.004 | 0.008 | 35.632 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 505 | TYR | 0 | -0.046 | -0.058 | 36.774 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 506 | GLN | 0 | -0.001 | 0.017 | 33.466 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 507 | PRO | 0 | -0.001 | 0.015 | 29.684 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 508 | TYR | 0 | -0.007 | -0.018 | 28.282 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 509 | ARG | 1 | 0.751 | 0.858 | 21.492 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 510 | VAL | 0 | -0.011 | -0.010 | 23.757 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 511 | VAL | 0 | 0.008 | -0.010 | 17.135 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 512 | VAL | 0 | -0.027 | -0.006 | 20.031 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 513 | LEU | 0 | -0.021 | 0.016 | 15.311 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 514 | SER | 0 | 0.031 | -0.009 | 17.850 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 515 | PHE | 0 | 0.007 | -0.002 | 14.958 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 516 | GLU | -1 | -0.744 | -0.788 | 16.377 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 517 | LEU | 0 | 0.007 | -0.009 | 16.720 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 518 | LEU | 0 | 0.008 | 0.010 | 18.381 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 519 | HIS | 0 | 0.010 | 0.012 | 19.655 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 520 | ALA | 0 | -0.003 | -0.014 | 16.789 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 521 | PRO | 0 | 0.004 | 0.006 | 13.566 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 522 | ALA | 0 | 0.000 | -0.004 | 12.556 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 523 | THR | 0 | -0.046 | -0.036 | 8.481 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 524 | VAL | 0 | 0.008 | 0.013 | 7.462 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 526 | GLY | 0 | 0.069 | 0.051 | 8.449 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 527 | PRO | 0 | 0.001 | 0.001 | 8.558 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 528 | LYS | 1 | 0.873 | 0.919 | 9.962 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 529 | LYS | 1 | 0.984 | 1.007 | 11.868 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 530 | SER | 0 | 0.008 | 0.002 | 11.122 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 531 | THR | 0 | -0.024 | -0.016 | 13.223 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 532 | ASN | 0 | 0.058 | 0.058 | 14.468 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 1 | GLN | 0 | 0.012 | 0.009 | 61.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 2 | VAL | 0 | -0.010 | 0.003 | 56.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 3 | GLN | 0 | -0.009 | 0.016 | 60.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 4 | LEU | 0 | 0.001 | -0.004 | 57.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 5 | VAL | 0 | 0.020 | 0.007 | 61.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 6 | GLU | -1 | -0.758 | -0.871 | 62.352 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 7 | SER | 0 | -0.012 | -0.018 | 64.638 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 8 | GLY | 0 | 0.009 | 0.005 | 65.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 9 | GLY | 0 | -0.005 | 0.017 | 67.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 10 | GLY | 0 | 0.022 | 0.012 | 68.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 11 | LEU | 0 | -0.041 | 0.001 | 70.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 12 | ILE | 0 | -0.001 | 0.019 | 67.449 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 13 | GLN | 0 | 0.059 | 0.032 | 70.707 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 14 | PRO | 0 | 0.036 | 0.009 | 67.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 15 | GLY | 0 | -0.008 | 0.006 | 65.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 16 | GLY | 0 | 0.034 | 0.029 | 65.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 17 | SER | 0 | -0.023 | -0.044 | 62.461 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 18 | LEU | 0 | -0.025 | -0.008 | 63.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 19 | ARG | 1 | 0.899 | 0.952 | 60.010 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 20 | LEU | 0 | 0.011 | 0.036 | 61.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 21 | SER | 0 | -0.020 | -0.018 | 60.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | H | 92 | CYS | 0 | -0.036 | -0.016 | 58.274 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | H | 23 | ALA | 0 | 0.017 | 0.036 | 59.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | H | 24 | ALA | 0 | 0.033 | 0.006 | 58.125 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | H | 25 | SER | 0 | -0.022 | 0.004 | 59.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | H | 26 | GLY | 0 | 0.102 | 0.042 | 58.962 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | H | 27 | PHE | 0 | -0.021 | 0.000 | 53.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | H | 28 | THR | 0 | -0.016 | 0.007 | 50.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | H | 29 | VAL | 0 | 0.001 | 0.006 | 51.443 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | H | 30 | SER | 0 | -0.025 | -0.020 | 48.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | H | 31 | SER | 0 | -0.001 | -0.006 | 46.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | H | 32 | ASN | 0 | -0.034 | -0.015 | 46.719 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | H | 33 | TYR | 0 | -0.032 | -0.015 | 41.591 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | H | 34 | MET | 0 | -0.063 | -0.031 | 48.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | H | 35 | SER | 0 | -0.001 | -0.026 | 50.802 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | H | 36 | TRP | 0 | -0.034 | -0.006 | 52.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | H | 37 | VAL | 0 | -0.005 | -0.004 | 55.236 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | H | 38 | ARG | 1 | 0.740 | 0.844 | 57.670 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | H | 39 | GLN | 0 | 0.036 | 0.037 | 60.856 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | H | 40 | ALA | 0 | 0.035 | 0.027 | 63.717 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | H | 41 | PRO | 0 | -0.002 | -0.014 | 66.205 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | H | 42 | GLY | 0 | 0.041 | 0.037 | 69.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | H | 43 | LYS | 1 | 0.846 | 0.939 | 64.669 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | H | 44 | GLY | 0 | 0.117 | 0.059 | 62.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | H | 45 | LEU | 0 | -0.044 | -0.010 | 58.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | H | 46 | GLU | -1 | -0.707 | -0.784 | 56.733 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | H | 47 | TRP | 0 | 0.016 | 0.002 | 48.249 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | H | 48 | VAL | 0 | -0.001 | 0.007 | 54.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | H | 49 | SER | 0 | -0.014 | -0.025 | 50.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | H | 50 | VAL | 0 | -0.028 | 0.005 | 46.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | H | 51 | ILE | 0 | -0.016 | -0.006 | 47.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | H | 52 | TYR | 0 | 0.004 | -0.047 | 40.565 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | H | 53 | SER | 0 | -0.003 | -0.005 | 42.508 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | H | 54 | GLY | 0 | 0.037 | 0.036 | 41.462 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | H | 55 | GLY | 0 | 0.002 | 0.010 | 42.538 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | H | 56 | SER | 0 | -0.034 | -0.023 | 40.275 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | H | 57 | THR | 0 | -0.086 | -0.021 | 43.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | H | 58 | PHE | 0 | 0.014 | 0.020 | 40.824 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | H | 59 | TYR | 0 | -0.014 | -0.011 | 46.727 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | H | 60 | ALA | 0 | 0.067 | 0.054 | 49.130 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | H | 61 | ASP | -1 | -0.750 | -0.835 | 48.930 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | H | 62 | SER | 0 | -0.049 | -0.019 | 51.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | H | 63 | VAL | 0 | 0.010 | -0.004 | 53.863 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | H | 64 | LYS | 1 | 0.878 | 0.956 | 45.168 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | H | 65 | GLY | 0 | 0.025 | 0.027 | 51.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | H | 66 | ARG | 1 | 0.739 | 0.838 | 52.628 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | H | 67 | PHE | 0 | -0.011 | -0.006 | 55.187 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | H | 68 | THR | 0 | 0.033 | 0.011 | 51.848 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | H | 69 | ILE | 0 | 0.008 | 0.031 | 50.510 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | H | 70 | SER | 0 | -0.007 | -0.019 | 51.935 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | H | 71 | ARG | 1 | 0.859 | 0.929 | 46.529 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | H | 72 | ASP | -1 | -0.758 | -0.835 | 53.393 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | H | 73 | ASN | 0 | 0.039 | 0.010 | 52.565 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | H | 74 | SER | 0 | -0.065 | -0.052 | 54.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | H | 75 | LYS | 1 | 0.881 | 0.929 | 57.478 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | H | 76 | SER | 0 | -0.020 | 0.004 | 57.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | H | 77 | THR | 0 | 0.000 | -0.005 | 57.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | H | 78 | LEU | 0 | 0.003 | 0.005 | 53.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | H | 79 | TYR | 0 | -0.049 | -0.054 | 56.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | H | 80 | LEU | 0 | 0.027 | 0.007 | 55.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | H | 81 | GLN | 0 | 0.005 | 0.032 | 56.994 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | H | 82 | MET | 0 | -0.026 | -0.005 | 57.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | H | 82 | ASN | 0 | 0.063 | 0.048 | 57.880 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | H | 82 | SER | 0 | 0.006 | -0.016 | 60.033 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | H | 82 | LEU | 0 | -0.048 | 0.005 | 62.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | H | 83 | ARG | 1 | 0.882 | 0.931 | 58.036 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | H | 84 | VAL | 0 | 0.031 | 0.016 | 65.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | H | 85 | GLU | -1 | -0.686 | -0.784 | 63.221 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | H | 86 | ASP | -1 | -0.729 | -0.800 | 61.157 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | H | 87 | THR | 0 | -0.009 | 0.007 | 63.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | H | 88 | ALA | 0 | 0.007 | 0.009 | 64.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | H | 89 | VAL | 0 | -0.013 | 0.017 | 65.574 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | H | 90 | TYR | 0 | -0.030 | -0.038 | 60.063 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | H | 91 | TYR | 0 | -0.012 | -0.020 | 60.603 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | H | 93 | ALA | 0 | 0.024 | 0.005 | 55.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | H | 94 | ARG | 1 | 0.823 | 0.900 | 51.834 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | H | 95 | ASP | -1 | -0.749 | -0.859 | 49.131 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | H | 96 | PHE | 0 | 0.030 | 0.027 | 45.526 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | H | 97 | GLY | 0 | 0.050 | 0.014 | 44.667 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | H | 98 | ASP | -1 | -0.772 | -0.850 | 44.091 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | H | 99 | PHE | 0 | -0.001 | 0.014 | 41.222 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | H | 100 | TYR | 0 | 0.029 | -0.001 | 47.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | H | 100 | PHE | 0 | 0.000 | 0.001 | 50.969 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | H | 101 | ASP | -1 | -0.741 | -0.883 | 52.999 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | H | 102 | TYR | 0 | -0.044 | -0.010 | 55.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | H | 103 | TRP | 0 | -0.025 | -0.017 | 57.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | H | 104 | GLY | 0 | 0.017 | 0.014 | 60.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | H | 105 | GLN | 0 | 0.005 | -0.017 | 62.717 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | H | 106 | GLY | 0 | 0.017 | 0.018 | 64.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | H | 107 | THR | 0 | -0.084 | -0.058 | 64.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | H | 108 | LEU | 0 | -0.009 | 0.001 | 66.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | H | 109 | VAL | 0 | -0.014 | 0.012 | 64.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | H | 110 | THR | 0 | -0.002 | -0.010 | 67.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | H | 111 | VAL | 0 | 0.029 | 0.026 | 65.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | H | 112 | SER | 0 | -0.028 | -0.025 | 69.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | H | 113 | SER | 0 | 0.055 | 0.015 | 72.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | H | 114 | ALA | 0 | -0.021 | 0.029 | 74.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | H | 115 | SER | 0 | -0.002 | 0.002 | 77.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | H | 116 | THR | 0 | -0.042 | -0.037 | 78.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | H | 117 | LYS | 1 | 0.804 | 0.893 | 80.493 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | H | 118 | GLY | 0 | 0.055 | 0.042 | 83.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | H | 119 | PRO | 0 | -0.074 | -0.025 | 85.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | H | 120 | SER | 0 | 0.026 | 0.020 | 87.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | H | 121 | VAL | 0 | -0.005 | -0.003 | 90.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | H | 122 | PHE | 0 | 0.000 | 0.003 | 92.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | H | 123 | PRO | 0 | 0.021 | 0.014 | 94.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | H | 124 | LEU | 0 | -0.044 | -0.017 | 92.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | H | 125 | ALA | 0 | 0.042 | 0.011 | 96.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | H | 126 | PRO | 0 | 0.037 | 0.032 | 100.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | H | 127 | SER | 0 | -0.044 | -0.018 | 101.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | H | 128 | SER | 0 | 0.041 | 0.023 | 103.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | H | 129 | LYS | 1 | 0.882 | 0.937 | 105.352 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | H | 130 | SER | 0 | -0.033 | -0.013 | 103.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | H | 131 | THR | 0 | 0.054 | 0.020 | 104.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | H | 132 | SER | 0 | -0.014 | 0.007 | 106.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | H | 133 | GLY | 0 | 0.082 | 0.046 | 107.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | H | 134 | GLY | 0 | -0.003 | 0.016 | 104.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | H | 135 | THR | 0 | -0.029 | -0.001 | 98.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | H | 136 | ALA | 0 | -0.002 | 0.000 | 100.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | H | 137 | ALA | 0 | 0.017 | 0.011 | 95.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | H | 138 | LEU | 0 | -0.004 | 0.016 | 96.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | H | 139 | GLY | 0 | 0.048 | 0.002 | 93.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | H | 196 | CYS | 0 | -0.059 | 0.008 | 91.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | H | 141 | LEU | 0 | 0.016 | 0.030 | 89.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | H | 142 | VAL | 0 | -0.021 | -0.019 | 86.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | H | 143 | LYS | 1 | 0.849 | 0.898 | 86.584 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | H | 144 | ASP | -1 | -0.773 | -0.836 | 85.464 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | H | 145 | TYR | 0 | -0.024 | -0.037 | 80.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | H | 146 | PHE | 0 | 0.026 | 0.014 | 74.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | H | 147 | PRO | 0 | 0.035 | 0.031 | 75.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | H | 148 | GLU | -1 | -0.642 | -0.745 | 75.116 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | H | 149 | PRO | 0 | -0.012 | 0.014 | 75.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | H | 150 | VAL | 0 | -0.024 | -0.017 | 77.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | H | 151 | THR | 0 | -0.033 | -0.021 | 80.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | H | 152 | VAL | 0 | 0.008 | -0.010 | 82.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | H | 153 | SER | 0 | -0.020 | 0.010 | 86.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | H | 154 | TRP | 0 | 0.010 | -0.009 | 88.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | H | 155 | ASN | 0 | -0.005 | -0.008 | 91.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | H | 156 | SER | 0 | -0.017 | -0.001 | 91.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | H | 157 | GLY | 0 | 0.013 | 0.015 | 89.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | H | 158 | ALA | 0 | -0.028 | -0.006 | 89.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | H | 159 | LEU | 0 | -0.046 | -0.013 | 91.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | H | 160 | THR | 0 | 0.026 | 0.017 | 87.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | H | 161 | SER | 0 | 0.003 | 0.008 | 88.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | H | 162 | GLY | 0 | 0.004 | 0.010 | 90.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | H | 163 | VAL | 0 | -0.053 | -0.008 | 87.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | H | 164 | HIS | 0 | -0.005 | 0.006 | 85.775 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | H | 165 | THR | 0 | -0.004 | -0.010 | 83.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | H | 166 | PHE | 0 | -0.027 | 0.004 | 82.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | H | 167 | PRO | 0 | 0.034 | 0.024 | 77.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | H | 168 | ALA | 0 | 0.008 | 0.030 | 79.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | H | 169 | VAL | 0 | -0.001 | 0.001 | 78.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | H | 170 | LEU | 0 | -0.027 | -0.001 | 75.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | H | 171 | GLN | 0 | 0.027 | 0.016 | 79.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | H | 172 | SER | 0 | 0.043 | 0.002 | 81.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | H | 173 | SER | 0 | -0.028 | -0.013 | 81.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | H | 174 | GLY | 0 | 0.016 | 0.019 | 79.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | H | 175 | LEU | 0 | -0.049 | -0.010 | 79.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | H | 176 | TYR | 0 | 0.048 | 0.026 | 74.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | H | 177 | SER | 0 | -0.055 | -0.032 | 81.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | H | 178 | LEU | 0 | 0.043 | 0.041 | 82.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | H | 179 | SER | 0 | -0.007 | -0.015 | 85.040 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | H | 180 | SER | 0 | -0.004 | 0.005 | 86.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | H | 181 | VAL | 0 | 0.016 | -0.009 | 88.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | H | 182 | VAL | 0 | 0.024 | 0.013 | 90.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | H | 183 | THR | 0 | 0.001 | 0.019 | 93.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | H | 184 | VAL | 0 | 0.005 | 0.008 | 95.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | H | 185 | PRO | 0 | 0.057 | 0.019 | 98.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | H | 186 | SER | 0 | -0.020 | -0.036 | 101.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | H | 187 | SER | 0 | 0.021 | 0.004 | 104.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | H | 188 | SER | 0 | 0.026 | 0.009 | 102.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | H | 189 | LEU | 0 | -0.022 | 0.000 | 101.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | H | 190 | GLY | 0 | -0.005 | 0.006 | 104.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | H | 191 | THR | 0 | -0.045 | -0.021 | 106.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | H | 192 | GLN | 0 | -0.024 | 0.010 | 99.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | H | 193 | THR | 0 | -0.004 | 0.011 | 100.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | H | 194 | TYR | 0 | 0.007 | -0.011 | 97.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | H | 195 | ILE | 0 | 0.015 | 0.002 | 95.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | H | 197 | ASN | 0 | 0.008 | -0.009 | 89.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | H | 198 | VAL | 0 | 0.029 | 0.020 | 87.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | H | 199 | ASN | 0 | -0.050 | -0.035 | 82.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | H | 200 | HIS | 0 | 0.027 | -0.006 | 80.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | H | 201 | LYS | 1 | 0.971 | 0.977 | 79.561 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | H | 202 | PRO | 0 | 0.010 | 0.017 | 77.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | H | 203 | SER | 0 | 0.055 | 0.031 | 79.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | H | 204 | ASN | 0 | -0.053 | -0.015 | 82.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | H | 205 | THR | 0 | 0.043 | 0.044 | 84.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | H | 206 | LYS | 1 | 0.880 | 0.923 | 86.493 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | H | 207 | VAL | 0 | 0.000 | -0.001 | 89.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | H | 208 | ASP | -1 | -0.804 | -0.851 | 91.772 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | H | 209 | LYS | 1 | 0.823 | 0.893 | 94.173 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | H | 210 | LYS | 1 | 0.851 | 0.911 | 96.024 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | H | 211 | VAL | 0 | -0.031 | -0.015 | 96.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | H | 212 | GLU | -1 | -0.791 | -0.870 | 99.656 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | H | 213 | PRO | 0 | 0.007 | -0.011 | 103.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | H | 214 | LYS | 1 | 0.888 | 0.938 | 104.472 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | H | 215 | SER | 0 | 0.030 | 0.021 | 106.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | H | 216 | CYS | 0 | -0.033 | -0.002 | 110.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 1 | GLU | -1 | -0.795 | -0.868 | 47.764 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 2 | ILE | 0 | -0.070 | -0.025 | 46.486 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 3 | VAL | 0 | 0.043 | 0.031 | 50.459 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 4 | LEU | 0 | -0.015 | -0.014 | 52.361 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 5 | THR | 0 | -0.041 | -0.040 | 55.810 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 6 | GLN | 0 | -0.048 | -0.044 | 58.906 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 7 | SER | 0 | -0.016 | 0.017 | 61.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 8 | PRO | 0 | 0.050 | 0.016 | 63.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 9 | GLY | 0 | 0.080 | 0.048 | 66.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 10 | THR | 0 | -0.066 | -0.046 | 67.773 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 11 | LEU | 0 | 0.020 | 0.026 | 68.502 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 12 | SER | 0 | -0.034 | -0.045 | 71.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 13 | LEU | 0 | -0.020 | 0.001 | 71.030 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | L | 14 | SER | 0 | 0.018 | -0.009 | 75.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | L | 15 | PRO | 0 | -0.034 | -0.027 | 76.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | L | 16 | GLY | 0 | -0.024 | -0.010 | 74.836 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | L | 17 | GLU | -1 | -0.826 | -0.888 | 73.728 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | L | 18 | ARG | 1 | 0.906 | 0.947 | 64.456 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | L | 19 | ALA | 0 | 0.013 | 0.022 | 67.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | L | 20 | THR | 0 | -0.019 | -0.025 | 63.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | L | 21 | LEU | 0 | -0.008 | 0.002 | 63.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | L | 22 | SER | 0 | 0.009 | 0.016 | 59.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | L | 88 | CYS | 0 | -0.015 | 0.009 | 55.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | L | 24 | ARG | 1 | 0.947 | 1.000 | 54.725 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | L | 25 | ALA | 0 | 0.015 | 0.024 | 50.781 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | L | 26 | SER | 0 | -0.006 | 0.008 | 50.928 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | L | 27 | GLN | 0 | 0.032 | 0.024 | 44.774 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | L | 28 | SER | 0 | 0.038 | 0.024 | 44.380 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | L | 29 | VAL | 0 | 0.034 | 0.016 | 45.184 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | L | 30 | SER | 0 | -0.010 | 0.005 | 42.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | L | 31 | SER | 0 | 0.078 | 0.039 | 44.719 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | L | 32 | TYR | 0 | -0.039 | 0.004 | 40.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | L | 33 | LEU | 0 | -0.012 | 0.000 | 46.927 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | L | 34 | ALA | 0 | -0.005 | 0.004 | 50.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | L | 35 | TRP | 0 | -0.015 | -0.020 | 53.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | L | 36 | TYR | 0 | 0.001 | -0.011 | 53.822 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | L | 37 | GLN | 0 | -0.010 | 0.005 | 60.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | L | 38 | GLN | 0 | 0.050 | 0.012 | 63.846 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | L | 39 | LYS | 1 | 0.897 | 0.984 | 66.141 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | L | 40 | PRO | 0 | 0.064 | 0.024 | 69.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | L | 41 | GLY | 0 | 0.012 | 0.014 | 71.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | L | 42 | GLN | 0 | -0.048 | -0.009 | 68.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | L | 43 | ALA | 0 | 0.080 | 0.047 | 63.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | L | 44 | PRO | 0 | -0.031 | -0.007 | 60.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | L | 45 | ARG | 1 | 0.874 | 0.952 | 61.126 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | L | 46 | LEU | 0 | -0.010 | 0.012 | 54.103 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | L | 47 | LEU | 0 | -0.041 | -0.016 | 58.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | L | 48 | ILE | 0 | 0.000 | -0.007 | 54.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | L | 49 | TYR | 0 | 0.024 | 0.025 | 49.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | L | 50 | GLY | 0 | 0.041 | 0.024 | 48.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | L | 51 | ALA | 0 | -0.010 | 0.005 | 49.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | L | 52 | SER | 0 | -0.042 | -0.038 | 51.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | L | 53 | SER | 0 | -0.005 | 0.024 | 51.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | L | 54 | ARG | 1 | 0.852 | 0.919 | 53.475 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | L | 55 | ALA | 0 | 0.016 | 0.016 | 55.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | L | 56 | THR | 0 | 0.022 | -0.013 | 56.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | L | 57 | GLY | 0 | 0.008 | 0.012 | 58.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | L | 58 | ILE | 0 | -0.063 | -0.012 | 60.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | L | 59 | PRO | 0 | 0.038 | 0.009 | 62.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | L | 60 | ASP | -1 | -0.795 | -0.897 | 61.898 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | L | 61 | ARG | 1 | 0.738 | 0.868 | 63.551 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | L | 62 | PHE | 0 | -0.017 | 0.017 | 61.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | L | 63 | SER | 0 | -0.046 | -0.037 | 59.478 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | L | 64 | GLY | 0 | 0.030 | 0.011 | 56.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | L | 65 | SER | 0 | -0.019 | 0.014 | 54.653 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | L | 66 | GLY | 0 | 0.089 | 0.052 | 53.391 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | L | 67 | SER | 0 | -0.004 | -0.001 | 48.013 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | L | 68 | GLY | 0 | 0.035 | 0.028 | 46.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | L | 69 | THR | 0 | -0.005 | -0.014 | 47.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | L | 70 | ASP | -1 | -0.842 | -0.874 | 50.639 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | L | 71 | PHE | 0 | 0.017 | 0.010 | 49.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | L | 72 | THR | 0 | -0.047 | -0.036 | 55.161 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | L | 73 | LEU | 0 | 0.023 | 0.043 | 58.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | L | 74 | THR | 0 | -0.018 | -0.031 | 60.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | L | 75 | ILE | 0 | 0.004 | 0.015 | 63.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | L | 76 | SER | 0 | -0.045 | -0.036 | 66.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | L | 77 | ARG | 1 | 0.891 | 0.926 | 67.864 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | L | 78 | LEU | 0 | -0.017 | 0.011 | 69.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | L | 79 | GLU | -1 | -0.759 | -0.849 | 71.761 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | L | 80 | PRO | 0 | 0.038 | -0.002 | 73.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | L | 81 | GLU | -1 | -0.813 | -0.882 | 71.012 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | L | 82 | ASP | -1 | -0.752 | -0.851 | 68.875 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | L | 83 | PHE | 0 | -0.012 | 0.022 | 69.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | L | 84 | ALA | 0 | -0.006 | -0.003 | 68.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | L | 85 | VAL | 0 | -0.017 | 0.000 | 65.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | L | 86 | TYR | 0 | -0.013 | -0.028 | 63.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | L | 87 | TYR | 0 | -0.036 | -0.021 | 59.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | L | 89 | GLN | 0 | 0.000 | -0.015 | 50.577 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | L | 90 | GLN | 0 | 0.026 | 0.013 | 47.843 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | L | 91 | TYR | 0 | -0.023 | -0.029 | 45.607 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | L | 92 | GLY | 0 | 0.020 | 0.025 | 44.007 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | L | 93 | SER | 0 | -0.027 | -0.024 | 42.809 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | L | 94 | SER | 0 | -0.005 | 0.018 | 43.658 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | L | 95 | PRO | 0 | 0.018 | 0.008 | 45.396 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | L | 96 | ARG | 1 | 0.799 | 0.891 | 47.483 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | L | 97 | THR | 0 | -0.037 | -0.011 | 49.649 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | L | 98 | PHE | 0 | 0.011 | -0.011 | 52.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | L | 99 | GLY | 0 | 0.018 | 0.024 | 56.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | L | 100 | GLN | 0 | -0.043 | -0.032 | 58.497 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | L | 101 | GLY | 0 | 0.032 | 0.021 | 61.948 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | L | 102 | THR | 0 | -0.026 | -0.014 | 63.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | L | 103 | LYS | 1 | 0.816 | 0.897 | 66.103 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | L | 104 | LEU | 0 | -0.005 | -0.003 | 68.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | L | 105 | GLU | -1 | -0.764 | -0.793 | 71.173 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | L | 106 | ILE | 0 | 0.017 | 0.001 | 75.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | L | 107 | LYS | 1 | 0.864 | 0.939 | 77.536 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | L | 108 | ARG | 1 | 0.864 | 0.919 | 79.401 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | L | 109 | THR | 0 | 0.031 | 0.004 | 83.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | L | 110 | VAL | 0 | -0.004 | 0.015 | 86.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | L | 111 | ALA | 0 | -0.010 | -0.003 | 88.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | L | 112 | ALA | 0 | 0.053 | 0.026 | 89.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | L | 113 | PRO | 0 | -0.019 | 0.009 | 90.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | L | 114 | SER | 0 | 0.006 | 0.006 | 92.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | L | 115 | VAL | 0 | -0.007 | -0.013 | 93.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | L | 116 | PHE | 0 | -0.024 | -0.014 | 95.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | L | 117 | ILE | 0 | 0.009 | 0.011 | 95.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | L | 118 | PHE | 0 | -0.016 | 0.005 | 94.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | L | 119 | PRO | 0 | 0.037 | 0.030 | 97.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | L | 120 | PRO | 0 | 0.012 | 0.033 | 97.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | L | 121 | SER | 0 | 0.056 | 0.038 | 97.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | L | 122 | ASP | -1 | -0.751 | -0.865 | 100.046 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | L | 123 | GLU | -1 | -0.897 | -0.941 | 98.217 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | L | 124 | GLN | 0 | 0.019 | 0.002 | 93.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | L | 125 | LEU | 0 | 0.002 | 0.018 | 97.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | L | 126 | LYS | 1 | 0.900 | 0.960 | 100.547 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | L | 127 | SER | 0 | -0.066 | -0.035 | 95.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | L | 128 | GLY | 0 | 0.040 | 0.016 | 96.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | L | 129 | THR | 0 | -0.045 | -0.014 | 92.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | L | 130 | ALA | 0 | -0.016 | -0.013 | 95.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | L | 131 | SER | 0 | 0.019 | -0.002 | 91.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | L | 132 | VAL | 0 | -0.046 | -0.006 | 94.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | L | 133 | VAL | 0 | 0.029 | 0.025 | 91.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | L | 194 | CYS | 0 | -0.063 | -0.017 | 92.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | L | 135 | LEU | 0 | -0.014 | 0.003 | 90.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | L | 136 | LEU | 0 | 0.018 | 0.013 | 88.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | L | 137 | ASN | 0 | 0.001 | -0.015 | 89.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | L | 138 | ASN | 0 | 0.032 | 0.006 | 87.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | L | 139 | PHE | 0 | -0.009 | 0.011 | 84.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | L | 140 | TYR | 0 | 0.033 | -0.002 | 79.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | L | 141 | PRO | 0 | -0.006 | 0.002 | 82.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | L | 142 | ARG | 1 | 0.926 | 0.939 | 77.034 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | L | 143 | GLU | -1 | -0.806 | -0.857 | 80.809 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | L | 144 | ALA | 0 | 0.037 | 0.038 | 83.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | L | 145 | LYS | 1 | 0.881 | 0.954 | 85.409 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | L | 146 | VAL | 0 | 0.001 | -0.003 | 87.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | L | 147 | GLN | 0 | -0.038 | -0.012 | 89.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | L | 148 | TRP | 0 | 0.027 | -0.003 | 90.792 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | L | 149 | LYS | 1 | 0.826 | 0.903 | 94.443 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | L | 150 | VAL | 0 | 0.002 | -0.003 | 97.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | L | 151 | ASP | -1 | -0.713 | -0.802 | 100.251 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | L | 152 | ASN | 0 | 0.001 | 0.000 | 101.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | L | 153 | ALA | 0 | 0.031 | 0.033 | 99.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | L | 154 | LEU | 0 | -0.007 | -0.012 | 92.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | L | 155 | GLN | 0 | 0.009 | 0.020 | 93.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | L | 156 | SER | 0 | -0.016 | -0.001 | 88.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | L | 157 | GLY | 0 | 0.016 | 0.016 | 86.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | L | 158 | ASN | 0 | 0.019 | 0.009 | 87.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | L | 159 | SER | 0 | 0.026 | -0.007 | 88.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | L | 160 | GLN | 0 | 0.015 | 0.027 | 81.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | L | 161 | GLU | -1 | -0.744 | -0.830 | 83.427 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | L | 162 | SER | 0 | -0.021 | -0.022 | 81.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | L | 163 | VAL | 0 | -0.007 | 0.005 | 80.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | L | 164 | THR | 0 | -0.002 | -0.006 | 80.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | L | 165 | GLU | -1 | -0.768 | -0.843 | 74.931 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | L | 166 | GLN | 0 | -0.020 | 0.012 | 77.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | L | 167 | ASP | -1 | -0.765 | -0.848 | 79.689 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | L | 168 | SER | 0 | -0.007 | -0.015 | 79.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | L | 169 | LYS | 1 | 0.844 | 0.908 | 81.260 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | L | 170 | ASP | -1 | -0.736 | -0.810 | 84.776 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | L | 171 | SER | 0 | -0.011 | -0.001 | 81.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | L | 172 | THR | 0 | -0.087 | -0.052 | 82.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | L | 173 | TYR | 0 | -0.034 | -0.037 | 78.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | L | 174 | SER | 0 | 0.049 | 0.031 | 84.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | L | 175 | LEU | 0 | -0.048 | -0.006 | 84.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | L | 176 | SER | 0 | 0.009 | 0.022 | 85.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | L | 177 | SER | 0 | 0.037 | 0.005 | 86.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | L | 178 | THR | 0 | 0.012 | -0.017 | 88.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | L | 179 | LEU | 0 | -0.001 | 0.014 | 89.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | L | 180 | THR | 0 | -0.018 | -0.006 | 89.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | L | 181 | LEU | 0 | -0.045 | -0.002 | 91.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | L | 182 | SER | 0 | 0.040 | 0.011 | 94.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | L | 183 | LYS | 1 | 0.911 | 0.952 | 96.580 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | L | 184 | ALA | 0 | 0.027 | 0.010 | 100.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | L | 185 | ASP | -1 | -0.755 | -0.835 | 96.817 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | L | 186 | TYR | 0 | 0.023 | -0.007 | 99.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | L | 187 | GLU | -1 | -0.840 | -0.924 | 100.810 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | L | 188 | LYS | 1 | 0.869 | 0.938 | 102.583 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | L | 189 | HIS | 1 | 0.787 | 0.905 | 99.704 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | L | 190 | LYS | 1 | 0.844 | 0.906 | 104.430 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | L | 191 | VAL | 0 | 0.017 | 0.011 | 103.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | L | 192 | TYR | 0 | 0.014 | -0.004 | 98.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | L | 193 | ALA | 0 | 0.001 | 0.003 | 99.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | L | 195 | GLU | -1 | -0.780 | -0.863 | 94.864 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | L | 196 | VAL | 0 | 0.011 | 0.008 | 91.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | L | 197 | THR | 0 | -0.005 | -0.017 | 90.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | L | 198 | HIS | 0 | 0.006 | -0.018 | 86.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | L | 199 | GLN | 0 | 0.046 | 0.017 | 84.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | L | 200 | GLY | 0 | 0.001 | -0.003 | 89.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | L | 201 | LEU | 0 | -0.069 | -0.029 | 91.825 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | L | 202 | SER | 0 | 0.020 | 0.020 | 94.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | L | 203 | SER | 0 | 0.026 | 0.007 | 96.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | L | 204 | PRO | 0 | -0.013 | 0.001 | 94.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | L | 205 | VAL | 0 | 0.015 | 0.040 | 96.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | L | 206 | THR | 0 | 0.002 | -0.014 | 96.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | L | 207 | LYS | 1 | 0.853 | 0.941 | 98.120 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | L | 208 | SER | 0 | 0.019 | -0.008 | 99.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | L | 209 | PHE | 0 | -0.045 | -0.023 | 99.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | L | 210 | ASN | 0 | 0.026 | 0.014 | 104.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | L | 211 | ARG | 1 | 0.856 | 0.926 | 103.931 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | L | 212 | GLY | 0 | -0.001 | -0.001 | 106.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | L | 213 | GLU | -1 | -0.827 | -0.875 | 108.283 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 701 | HOH | 0 | -0.005 | -0.016 | 19.306 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 702 | HOH | 0 | 0.007 | 0.010 | 13.921 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 703 | HOH | 0 | 0.003 | 0.001 | 16.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 704 | HOH | 0 | -0.045 | -0.054 | 31.881 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 705 | HOH | 0 | 0.005 | -0.005 | 39.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 706 | HOH | 0 | -0.018 | -0.017 | 29.387 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 707 | HOH | 0 | -0.004 | -0.015 | 41.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 708 | HOH | 0 | 0.007 | 0.005 | 17.644 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 709 | HOH | 0 | -0.011 | -0.024 | 36.859 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 710 | HOH | 0 | 0.002 | -0.004 | 16.729 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 711 | HOH | 0 | -0.034 | -0.036 | 35.792 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 712 | HOH | 0 | -0.030 | -0.034 | 19.549 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 713 | HOH | 0 | 0.003 | -0.009 | 17.608 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 714 | HOH | 0 | -0.017 | -0.017 | 1.745 | -8.908 | -15.312 | 11.382 | -3.106 | -1.872 | 0.030 |
639 | A | 715 | HOH | 0 | 0.031 | 0.021 | 30.123 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 716 | HOH | 0 | -0.016 | -0.032 | 17.267 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 717 | HOH | 0 | -0.018 | -0.013 | 39.288 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 718 | HOH | 0 | -0.042 | -0.031 | 34.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 719 | HOH | 0 | 0.000 | -0.011 | 32.056 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 720 | HOH | 0 | 0.003 | 0.011 | 16.687 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 721 | HOH | 0 | 0.009 | 0.003 | 31.299 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 722 | HOH | 0 | -0.020 | -0.030 | 40.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 723 | HOH | 0 | -0.002 | -0.009 | 19.687 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 724 | HOH | 0 | -0.021 | -0.030 | 31.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 725 | HOH | 0 | -0.020 | -0.020 | 11.877 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 726 | HOH | 0 | -0.011 | -0.009 | 11.856 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 727 | HOH | 0 | -0.034 | -0.037 | 29.696 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 728 | HOH | 0 | -0.025 | -0.024 | 48.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 729 | HOH | 0 | 0.020 | 0.008 | 47.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 730 | HOH | 0 | 0.008 | -0.002 | 41.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 731 | HOH | 0 | -0.002 | -0.009 | 40.679 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 732 | HOH | 0 | -0.005 | -0.022 | 29.778 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 733 | HOH | 0 | 0.008 | -0.006 | 42.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 734 | HOH | 0 | -0.020 | -0.021 | 17.837 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 735 | HOH | 0 | -0.007 | -0.011 | 19.171 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 736 | HOH | 0 | 0.007 | 0.001 | 10.544 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 737 | HOH | 0 | -0.006 | -0.010 | 28.238 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 738 | HOH | 0 | -0.015 | -0.014 | 34.505 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 739 | HOH | 0 | 0.006 | -0.006 | 18.727 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 740 | HOH | 0 | -0.011 | -0.017 | 34.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 741 | HOH | 0 | -0.042 | -0.042 | 25.833 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 742 | HOH | 0 | 0.011 | 0.003 | 51.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 743 | HOH | 0 | -0.038 | -0.031 | 38.594 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 744 | HOH | 0 | -0.043 | -0.043 | 55.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 745 | HOH | 0 | 0.038 | 0.028 | 31.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 746 | HOH | 0 | -0.032 | -0.034 | 34.195 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 747 | HOH | 0 | -0.019 | -0.028 | 37.044 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 748 | HOH | 0 | -0.011 | -0.016 | 40.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 749 | HOH | 0 | -0.030 | -0.025 | 30.551 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 750 | HOH | 0 | -0.036 | -0.034 | 34.979 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 751 | HOH | 0 | -0.006 | -0.010 | 27.925 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 752 | HOH | 0 | -0.021 | -0.012 | 33.779 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 753 | HOH | 0 | -0.036 | -0.034 | 19.672 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 754 | HOH | 0 | -0.009 | -0.007 | 20.016 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 755 | HOH | 0 | -0.024 | -0.037 | 41.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 756 | HOH | 0 | -0.034 | -0.025 | 15.306 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 757 | HOH | 0 | 0.004 | 0.005 | 18.667 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 758 | HOH | 0 | 0.031 | 0.017 | 54.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 759 | HOH | 0 | -0.030 | -0.026 | 17.153 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 760 | HOH | 0 | 0.031 | 0.021 | 25.561 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 761 | HOH | 0 | -0.018 | -0.024 | 37.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 762 | HOH | 0 | -0.033 | -0.035 | 35.347 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 763 | HOH | 0 | -0.049 | -0.055 | 34.700 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 764 | HOH | 0 | -0.015 | -0.014 | 19.828 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 765 | HOH | 0 | 0.014 | 0.004 | 37.619 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 766 | HOH | 0 | -0.015 | -0.010 | 30.287 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 767 | HOH | 0 | -0.014 | -0.029 | 32.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 768 | HOH | 0 | 0.004 | -0.006 | 38.809 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 769 | HOH | 0 | 0.000 | -0.006 | 34.541 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 770 | HOH | 0 | 0.020 | 0.015 | 32.591 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 771 | HOH | 0 | 0.020 | 0.015 | 16.879 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 772 | HOH | 0 | -0.001 | -0.013 | 29.965 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 773 | HOH | 0 | 0.019 | 0.008 | 54.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 774 | HOH | 0 | -0.002 | -0.012 | 46.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 775 | HOH | 0 | 0.012 | -0.004 | 28.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 776 | HOH | 0 | 0.008 | 0.001 | 36.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 777 | HOH | 0 | 0.015 | 0.013 | 38.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 778 | HOH | 0 | -0.006 | -0.007 | 42.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 779 | HOH | 0 | -0.004 | -0.012 | 38.958 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 780 | HOH | 0 | 0.007 | 0.011 | 41.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 781 | HOH | 0 | -0.002 | 0.012 | 31.470 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 782 | HOH | 0 | -0.059 | -0.039 | 40.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 783 | HOH | 0 | -0.041 | -0.028 | 49.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | H | 301 | HOH | 0 | 0.006 | 0.000 | 46.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | H | 302 | HOH | 0 | 0.006 | -0.006 | 90.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | H | 303 | HOH | 0 | -0.026 | -0.029 | 58.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | H | 304 | HOH | 0 | -0.015 | -0.019 | 66.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | H | 305 | HOH | 0 | 0.016 | 0.000 | 44.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | H | 306 | HOH | 0 | -0.034 | -0.026 | 103.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | H | 307 | HOH | 0 | -0.007 | -0.007 | 79.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | H | 308 | HOH | 0 | -0.014 | -0.015 | 80.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | H | 309 | HOH | 0 | -0.037 | -0.034 | 76.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | H | 310 | HOH | 0 | -0.050 | -0.048 | 46.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | H | 311 | HOH | 0 | -0.026 | -0.024 | 109.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | H | 312 | HOH | 0 | 0.028 | 0.000 | 94.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | H | 313 | HOH | 0 | 0.004 | -0.005 | 85.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | H | 314 | HOH | 0 | -0.030 | -0.024 | 55.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | H | 315 | HOH | 0 | 0.010 | 0.005 | 104.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | H | 316 | HOH | 0 | -0.006 | -0.012 | 63.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | H | 317 | HOH | 0 | -0.004 | -0.016 | 109.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | H | 318 | HOH | 0 | 0.028 | 0.013 | 40.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | H | 319 | HOH | 0 | -0.004 | -0.014 | 73.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | H | 320 | HOH | 0 | -0.010 | -0.009 | 90.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | H | 321 | HOH | 0 | -0.019 | -0.026 | 101.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | H | 322 | HOH | 0 | 0.020 | 0.007 | 63.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | H | 323 | HOH | 0 | 0.037 | 0.029 | 48.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | H | 324 | HOH | 0 | -0.020 | -0.017 | 45.074 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | H | 325 | HOH | 0 | 0.004 | 0.001 | 85.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | H | 326 | HOH | 0 | 0.009 | 0.000 | 73.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | H | 327 | HOH | 0 | 0.024 | 0.013 | 85.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | H | 328 | HOH | 0 | -0.064 | -0.048 | 65.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | H | 329 | HOH | 0 | 0.059 | 0.023 | 92.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | H | 330 | HOH | 0 | 0.010 | 0.003 | 99.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | H | 331 | HOH | 0 | 0.016 | -0.002 | 71.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | H | 332 | HOH | 0 | -0.037 | -0.035 | 64.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | H | 333 | HOH | 0 | -0.007 | -0.019 | 66.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | H | 334 | HOH | 0 | -0.024 | -0.019 | 71.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | H | 335 | HOH | 0 | -0.003 | -0.009 | 51.250 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | H | 336 | HOH | 0 | 0.011 | -0.004 | 77.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | H | 337 | HOH | 0 | -0.041 | -0.029 | 56.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | H | 338 | HOH | 0 | -0.002 | -0.011 | 60.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | H | 339 | HOH | 0 | -0.023 | -0.018 | 70.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | H | 340 | HOH | 0 | -0.016 | -0.029 | 87.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | H | 341 | HOH | 0 | 0.010 | 0.005 | 100.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | H | 342 | HOH | 0 | -0.041 | -0.036 | 60.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | H | 343 | HOH | 0 | 0.013 | 0.005 | 61.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | H | 344 | HOH | 0 | -0.005 | -0.014 | 55.919 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | H | 345 | HOH | 0 | -0.007 | -0.012 | 48.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | H | 346 | HOH | 0 | 0.004 | 0.005 | 46.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | H | 347 | HOH | 0 | -0.011 | -0.021 | 60.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | H | 348 | HOH | 0 | -0.009 | -0.005 | 58.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | H | 349 | HOH | 0 | 0.008 | -0.005 | 43.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | H | 350 | HOH | 0 | -0.038 | -0.037 | 74.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | H | 351 | HOH | 0 | -0.010 | 0.001 | 64.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | H | 352 | HOH | 0 | -0.038 | -0.034 | 82.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | H | 353 | HOH | 0 | -0.019 | -0.017 | 76.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | H | 354 | HOH | 0 | -0.020 | -0.018 | 94.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | H | 355 | HOH | 0 | 0.001 | -0.017 | 53.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | H | 356 | HOH | 0 | -0.008 | -0.005 | 73.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | H | 357 | HOH | 0 | 0.009 | -0.006 | 97.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | H | 358 | HOH | 0 | -0.021 | -0.029 | 58.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | H | 359 | HOH | 0 | -0.024 | -0.025 | 63.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | H | 360 | HOH | 0 | 0.000 | -0.009 | 55.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | H | 361 | HOH | 0 | 0.030 | 0.015 | 71.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | H | 362 | HOH | 0 | -0.034 | -0.023 | 66.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | H | 363 | HOH | 0 | -0.023 | -0.017 | 77.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | H | 364 | HOH | 0 | -0.014 | -0.011 | 57.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | H | 365 | HOH | 0 | 0.010 | 0.005 | 85.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | H | 366 | HOH | 0 | -0.028 | -0.014 | 54.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | H | 367 | HOH | 0 | -0.009 | -0.012 | 87.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | H | 368 | HOH | 0 | -0.015 | -0.012 | 67.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | H | 369 | HOH | 0 | 0.008 | -0.009 | 45.455 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | H | 370 | HOH | 0 | -0.005 | -0.003 | 74.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | H | 371 | HOH | 0 | -0.010 | -0.016 | 66.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | H | 372 | HOH | 0 | -0.027 | -0.009 | 67.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | H | 373 | HOH | 0 | -0.011 | -0.012 | 72.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | H | 374 | HOH | 0 | 0.020 | 0.005 | 68.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | H | 375 | HOH | 0 | 0.004 | -0.011 | 50.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | H | 376 | HOH | 0 | 0.009 | 0.003 | 46.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | H | 377 | HOH | 0 | 0.025 | 0.004 | 60.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | H | 378 | HOH | 0 | 0.004 | -0.004 | 84.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | H | 379 | HOH | 0 | -0.028 | -0.021 | 54.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | H | 380 | HOH | 0 | -0.035 | -0.023 | 69.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | H | 381 | HOH | 0 | -0.021 | -0.035 | 50.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | H | 382 | HOH | 0 | -0.001 | -0.015 | 80.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | H | 383 | HOH | 0 | -0.008 | 0.003 | 86.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | H | 384 | HOH | 0 | -0.014 | -0.004 | 104.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | H | 385 | HOH | 0 | -0.018 | -0.025 | 71.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | H | 386 | HOH | 0 | 0.027 | 0.025 | 70.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | H | 387 | HOH | 0 | 0.000 | -0.005 | 62.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | H | 388 | HOH | 0 | -0.020 | -0.018 | 87.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | H | 389 | HOH | 0 | -0.003 | 0.000 | 86.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | H | 390 | HOH | 0 | -0.033 | -0.026 | 69.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | H | 391 | HOH | 0 | -0.042 | -0.040 | 65.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | H | 392 | HOH | 0 | 0.013 | 0.003 | 55.935 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | H | 393 | HOH | 0 | 0.004 | -0.003 | 68.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | H | 394 | HOH | 0 | 0.001 | -0.005 | 43.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | H | 395 | HOH | 0 | -0.017 | -0.005 | 52.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | H | 396 | HOH | 0 | 0.001 | 0.006 | 49.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | H | 397 | HOH | 0 | -0.007 | -0.010 | 73.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | H | 398 | HOH | 0 | -0.018 | -0.025 | 54.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | H | 399 | HOH | 0 | -0.004 | -0.010 | 100.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | H | 400 | HOH | 0 | -0.013 | -0.028 | 79.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | H | 401 | HOH | 0 | 0.004 | 0.001 | 82.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | H | 402 | HOH | 0 | -0.027 | -0.027 | 78.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | H | 403 | HOH | 0 | 0.002 | -0.002 | 45.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | H | 404 | HOH | 0 | -0.030 | -0.028 | 44.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | H | 405 | HOH | 0 | -0.003 | -0.006 | 94.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | H | 406 | HOH | 0 | 0.011 | 0.000 | 54.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | H | 407 | HOH | 0 | -0.025 | -0.027 | 97.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | H | 408 | HOH | 0 | -0.002 | -0.010 | 81.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | H | 409 | HOH | 0 | -0.021 | -0.019 | 95.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | H | 410 | HOH | 0 | -0.036 | -0.034 | 104.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | H | 411 | HOH | 0 | -0.013 | -0.025 | 90.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | H | 412 | HOH | 0 | 0.027 | 0.020 | 75.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | H | 413 | HOH | 0 | 0.015 | 0.006 | 64.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | H | 414 | HOH | 0 | -0.019 | -0.023 | 47.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | H | 415 | HOH | 0 | -0.023 | -0.023 | 41.862 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | H | 416 | HOH | 0 | -0.019 | -0.015 | 47.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | H | 417 | HOH | 0 | 0.016 | 0.015 | 72.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | H | 418 | HOH | 0 | 0.010 | 0.005 | 54.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | H | 419 | HOH | 0 | -0.012 | -0.001 | 82.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | H | 420 | HOH | 0 | 0.004 | -0.006 | 63.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | H | 421 | HOH | 0 | -0.030 | -0.034 | 93.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | H | 422 | HOH | 0 | -0.009 | -0.002 | 48.668 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | H | 423 | HOH | 0 | -0.015 | -0.020 | 69.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | H | 424 | HOH | 0 | 0.005 | -0.004 | 78.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | H | 425 | HOH | 0 | 0.037 | 0.026 | 71.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | H | 426 | HOH | 0 | -0.026 | -0.030 | 96.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | H | 427 | HOH | 0 | -0.025 | -0.015 | 97.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | H | 428 | HOH | 0 | 0.004 | 0.003 | 76.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | H | 429 | HOH | 0 | -0.002 | -0.009 | 78.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | H | 430 | HOH | 0 | -0.019 | -0.008 | 47.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | H | 431 | HOH | 0 | -0.007 | -0.001 | 102.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | H | 432 | HOH | 0 | 0.004 | 0.000 | 61.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | H | 433 | HOH | 0 | -0.010 | -0.007 | 86.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | H | 434 | HOH | 0 | -0.023 | -0.019 | 73.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | H | 435 | HOH | 0 | 0.020 | 0.013 | 73.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | H | 436 | HOH | 0 | 0.026 | 0.022 | 94.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | H | 437 | HOH | 0 | 0.013 | 0.012 | 80.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | H | 438 | HOH | 0 | -0.050 | -0.039 | 76.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | H | 439 | HOH | 0 | -0.006 | -0.013 | 55.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | H | 440 | HOH | 0 | 0.025 | 0.011 | 95.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | L | 301 | HOH | 0 | 0.012 | 0.010 | 62.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | L | 302 | HOH | 0 | -0.045 | -0.045 | 73.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | L | 303 | HOH | 0 | 0.034 | 0.021 | 83.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | L | 304 | HOH | 0 | -0.011 | -0.027 | 103.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | L | 305 | HOH | 0 | -0.037 | -0.038 | 106.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | L | 306 | HOH | 0 | -0.027 | -0.021 | 68.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | L | 307 | HOH | 0 | 0.013 | 0.005 | 66.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | L | 308 | HOH | 0 | -0.026 | -0.041 | 76.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | L | 309 | HOH | 0 | 0.003 | 0.000 | 99.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | L | 310 | HOH | 0 | -0.013 | -0.014 | 66.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | L | 311 | HOH | 0 | -0.056 | -0.042 | 82.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | L | 312 | HOH | 0 | 0.006 | -0.008 | 89.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | L | 313 | HOH | 0 | -0.031 | -0.044 | 95.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | L | 314 | HOH | 0 | -0.007 | -0.002 | 46.521 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | L | 315 | HOH | 0 | -0.002 | -0.009 | 62.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | L | 316 | HOH | 0 | -0.012 | -0.016 | 55.929 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | L | 317 | HOH | 0 | -0.004 | -0.010 | 66.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | L | 318 | HOH | 0 | -0.010 | -0.015 | 56.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | L | 319 | HOH | 0 | -0.013 | -0.017 | 101.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | L | 320 | HOH | 0 | -0.043 | -0.039 | 85.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | L | 321 | HOH | 0 | -0.023 | -0.029 | 42.480 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | L | 322 | HOH | 0 | 0.005 | -0.002 | 102.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | L | 323 | HOH | 0 | -0.009 | -0.024 | 94.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | L | 324 | HOH | 0 | -0.013 | -0.020 | 52.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | L | 325 | HOH | 0 | -0.039 | -0.031 | 55.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | L | 326 | HOH | 0 | -0.027 | -0.013 | 90.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | L | 327 | HOH | 0 | 0.023 | 0.004 | 48.501 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | L | 328 | HOH | 0 | -0.048 | -0.039 | 106.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | L | 329 | HOH | 0 | -0.025 | -0.033 | 79.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | L | 330 | HOH | 0 | -0.014 | -0.021 | 61.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | L | 331 | HOH | 0 | -0.014 | -0.025 | 85.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | L | 332 | HOH | 0 | -0.023 | -0.006 | 86.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | L | 333 | HOH | 0 | -0.008 | -0.015 | 59.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | L | 334 | HOH | 0 | -0.020 | -0.022 | 90.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | L | 335 | HOH | 0 | -0.026 | -0.029 | 101.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | L | 336 | HOH | 0 | 0.005 | -0.016 | 83.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | L | 337 | HOH | 0 | -0.009 | -0.010 | 91.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | L | 338 | HOH | 0 | -0.018 | -0.013 | 82.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | L | 339 | HOH | 0 | -0.012 | -0.025 | 85.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | L | 340 | HOH | 0 | -0.002 | -0.009 | 101.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | L | 341 | HOH | 0 | -0.009 | -0.006 | 100.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | L | 342 | HOH | 0 | -0.035 | -0.036 | 79.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | L | 343 | HOH | 0 | -0.014 | -0.018 | 63.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | L | 344 | HOH | 0 | -0.007 | -0.027 | 48.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | L | 345 | HOH | 0 | -0.003 | -0.001 | 84.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | L | 346 | HOH | 0 | -0.010 | -0.023 | 69.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | L | 347 | HOH | 0 | -0.008 | 0.006 | 87.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | L | 348 | HOH | 0 | 0.011 | -0.002 | 61.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | L | 349 | HOH | 0 | -0.005 | -0.012 | 85.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | L | 350 | HOH | 0 | 0.009 | -0.001 | 85.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | L | 351 | HOH | 0 | -0.056 | -0.043 | 89.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | L | 352 | HOH | 0 | -0.040 | -0.044 | 54.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | L | 353 | HOH | 0 | -0.056 | -0.042 | 92.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | L | 354 | HOH | 0 | 0.015 | -0.002 | 92.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
902 | L | 355 | HOH | 0 | -0.030 | -0.027 | 102.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | L | 356 | HOH | 0 | -0.004 | -0.005 | 45.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | L | 357 | HOH | 0 | -0.002 | -0.009 | 99.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | L | 358 | HOH | 0 | 0.009 | -0.002 | 107.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | L | 359 | HOH | 0 | -0.024 | -0.032 | 49.198 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
907 | L | 360 | HOH | 0 | -0.010 | -0.015 | 99.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
908 | L | 361 | HOH | 0 | 0.005 | 0.003 | 64.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
909 | L | 362 | HOH | 0 | -0.014 | -0.013 | 66.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | L | 363 | HOH | 0 | 0.001 | -0.001 | 46.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | L | 364 | HOH | 0 | -0.023 | -0.026 | 72.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | L | 365 | HOH | 0 | -0.013 | -0.013 | 70.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | L | 366 | HOH | 0 | 0.004 | -0.004 | 80.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | L | 367 | HOH | 0 | -0.002 | -0.009 | 105.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | L | 368 | HOH | 0 | -0.012 | -0.005 | 63.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | L | 369 | HOH | 0 | 0.009 | 0.001 | 75.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | L | 370 | HOH | 0 | -0.006 | -0.013 | 78.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | L | 371 | HOH | 0 | -0.013 | -0.004 | 43.348 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | L | 372 | HOH | 0 | -0.015 | -0.027 | 53.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | L | 373 | HOH | 0 | -0.042 | -0.028 | 59.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | L | 374 | HOH | 0 | 0.002 | -0.006 | 62.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | L | 375 | HOH | 0 | -0.004 | -0.011 | 47.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | L | 376 | HOH | 0 | -0.007 | -0.009 | 104.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
924 | L | 377 | HOH | 0 | -0.008 | -0.010 | 42.493 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
925 | L | 378 | HOH | 0 | 0.044 | 0.037 | 74.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
926 | L | 379 | HOH | 0 | -0.025 | -0.039 | 102.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
927 | L | 380 | HOH | 0 | 0.019 | -0.001 | 100.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
928 | L | 381 | HOH | 0 | 0.025 | 0.024 | 95.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
929 | L | 382 | HOH | 0 | -0.004 | -0.009 | 87.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
930 | L | 383 | HOH | 0 | 0.030 | 0.010 | 87.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
931 | L | 384 | HOH | 0 | 0.015 | 0.008 | 48.507 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
932 | L | 385 | HOH | 0 | -0.049 | -0.039 | 82.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
933 | L | 386 | HOH | 0 | -0.044 | -0.035 | 84.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
934 | L | 387 | HOH | 0 | -0.033 | -0.026 | 51.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
935 | L | 388 | HOH | 0 | -0.010 | -0.004 | 47.485 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
936 | L | 389 | HOH | 0 | -0.024 | -0.030 | 69.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
937 | L | 390 | HOH | 0 | -0.011 | -0.021 | 49.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
938 | L | 391 | HOH | 0 | 0.000 | -0.009 | 69.498 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
939 | L | 392 | HOH | 0 | -0.046 | -0.038 | 81.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
940 | L | 393 | HOH | 0 | -0.016 | -0.023 | 88.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
941 | L | 394 | HOH | 0 | 0.007 | -0.006 | 42.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
942 | L | 395 | HOH | 0 | 0.017 | 0.007 | 92.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
943 | L | 396 | HOH | 0 | 0.002 | -0.004 | 101.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
944 | L | 397 | HOH | 0 | 0.028 | 0.019 | 88.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
945 | L | 398 | HOH | 0 | 0.006 | 0.007 | 46.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
946 | L | 399 | HOH | 0 | -0.016 | -0.015 | 56.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |