FMODB ID: Q8Q7Y
Calculation Name: 7JMP-AHL-Xray232
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 7JMP
Chain ID: AHL
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 | 1082 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14732555.663616 |
---|---|
FMO2-HF: Nuclear repulsion | 14466286.544678 |
FMO2-HF: Total energy | -266269.118939 |
FMO2-MP2: Total energy | -267033.381227 |
3D Structure
Ligand structure
Ligand Interaction
SARS-CoV-2 spike protein and antibody binding energy (frag 1-170 : frag 171-600)
"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. |
-223.5336 | -196.2897 | 175.2539 | -75.3594 | -127.1384 | 0.1404 |
Interactive mode: IFIE and PIEDA for fragment #1(A:338:PHE )
Summations of interaction energy for
fragment #1(A:338:PHE )
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-16.092 | -2.338 | 6.686 | -5.15 | -15.291 | -0.009 |
Interaction energy analysis for fragmet #1(A:338:PHE )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 340 | GLU | -1 | -0.834 | -0.904 | 3.215 | -2.702 | -0.770 | 0.003 | -0.775 | -1.161 | 0.002 |
4 | A | 341 | VAL | 0 | -0.014 | 0.004 | 3.300 | -0.914 | 0.394 | 0.053 | -0.391 | -0.970 | 0.000 |
5 | A | 342 | PHE | 0 | 0.033 | 0.005 | 2.305 | -1.753 | 0.267 | 1.569 | -0.987 | -2.603 | -0.001 |
6 | A | 343 | ASN | 0 | -0.003 | -0.008 | 5.501 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 344 | ALA | 0 | 0.010 | 0.033 | 7.845 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 345 | THR | 0 | 0.054 | 0.009 | 9.531 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 346 | ARG | 1 | 0.802 | 0.889 | 12.801 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 347 | PHE | 0 | 0.012 | 0.016 | 8.563 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 348 | ALA | 0 | -0.015 | 0.006 | 13.200 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 349 | SER | 0 | 0.030 | 0.005 | 15.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 350 | VAL | 0 | -0.051 | -0.017 | 16.360 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 351 | TYR | 0 | 0.018 | 0.003 | 17.551 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 352 | ALA | 0 | -0.040 | -0.004 | 18.556 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 353 | TRP | 0 | -0.055 | -0.001 | 12.286 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 354 | ASN | 0 | -0.037 | -0.004 | 10.258 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 355 | ARG | 1 | 0.976 | 1.002 | 9.587 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 356 | LYS | 1 | 0.831 | 0.914 | 5.498 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 357 | ARG | 1 | 0.883 | 0.922 | 7.098 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 358 | ILE | 0 | -0.041 | -0.026 | 3.136 | -1.109 | 0.378 | 0.167 | -0.496 | -1.157 | 0.004 |
22 | A | 359 | SER | 0 | 0.007 | -0.007 | 6.545 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 360 | ASN | 0 | 0.035 | 0.013 | 7.978 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 361 | CYS | 0 | -0.020 | -0.005 | 6.954 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 362 | VAL | 0 | -0.021 | -0.017 | 2.949 | -0.886 | -0.248 | 0.104 | -0.161 | -0.583 | 0.000 |
26 | A | 363 | ALA | 0 | 0.033 | 0.022 | 4.960 | -0.442 | -0.388 | -0.001 | 0.000 | -0.053 | 0.000 |
27 | A | 364 | ASP | -1 | -0.820 | -0.905 | 5.619 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 365 | TYR | 0 | -0.036 | -0.028 | 2.636 | -4.646 | -1.395 | 2.887 | -1.404 | -4.733 | -0.014 |
29 | A | 366 | SER | 0 | 0.035 | 0.015 | 4.742 | 0.550 | 0.612 | -0.001 | -0.007 | -0.054 | 0.000 |
30 | A | 367 | VAL | 0 | -0.017 | -0.008 | 6.588 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 368 | LEU | 0 | -0.035 | -0.022 | 2.615 | -1.511 | -0.114 | 1.288 | -0.514 | -2.171 | 0.002 |
32 | A | 369 | TYR | 0 | 0.006 | -0.003 | 7.081 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 370 | ASN | 0 | -0.021 | -0.009 | 10.442 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 371 | SER | 0 | 0.005 | 0.024 | 8.973 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 372 | ALA | 0 | 0.018 | -0.002 | 11.061 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 373 | SER | 0 | -0.035 | -0.012 | 10.123 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 374 | PHE | 0 | -0.007 | 0.000 | 6.161 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 375 | SER | 0 | 0.026 | 0.000 | 12.284 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 376 | THR | 0 | -0.078 | -0.028 | 13.947 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 377 | PHE | 0 | 0.052 | 0.026 | 8.220 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 378 | LYS | 1 | 0.857 | 0.930 | 12.113 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 432 | CYS | 0 | -0.086 | -0.025 | 7.536 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 380 | TYR | 0 | 0.042 | 0.023 | 12.806 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 381 | GLY | 0 | 0.068 | 0.041 | 13.697 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 382 | VAL | 0 | -0.024 | -0.025 | 11.091 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 383 | SER | 0 | -0.017 | 0.004 | 12.037 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 384 | PRO | 0 | 0.007 | 0.005 | 10.243 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 392 | PHE | 0 | 0.044 | 0.014 | 7.702 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 393 | THR | 0 | -0.070 | -0.029 | 9.734 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 394 | ASN | 0 | -0.019 | -0.022 | 9.733 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 395 | VAL | 0 | 0.030 | 0.030 | 3.493 | -0.393 | -0.145 | 0.005 | -0.040 | -0.214 | 0.000 |
52 | A | 396 | TYR | 0 | -0.023 | 0.000 | 6.643 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 397 | ALA | 0 | 0.036 | 0.014 | 3.153 | -0.801 | -0.434 | 0.025 | -0.090 | -0.302 | 0.000 |
54 | A | 398 | ASP | -1 | -0.757 | -0.839 | 5.203 | -0.400 | -0.378 | -0.001 | -0.002 | -0.019 | 0.000 |
55 | A | 399 | SER | 0 | 0.006 | -0.009 | 7.725 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 400 | PHE | 0 | -0.009 | -0.009 | 9.684 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 401 | VAL | 0 | 0.014 | 0.016 | 12.972 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 402 | ILE | 0 | -0.005 | 0.012 | 15.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 403 | ARG | 1 | 0.846 | 0.894 | 18.534 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 404 | GLY | 0 | 0.074 | 0.039 | 19.492 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 405 | ASP | -1 | -0.904 | -0.929 | 20.552 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 406 | GLU | -1 | -0.702 | -0.785 | 20.703 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 407 | VAL | 0 | -0.021 | -0.006 | 15.615 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 408 | ARG | 1 | 0.895 | 0.950 | 17.460 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 409 | GLN | 0 | 0.036 | 0.007 | 19.798 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 410 | ILE | 0 | -0.049 | -0.007 | 13.177 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 411 | ALA | 0 | 0.047 | 0.016 | 15.301 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 412 | PRO | 0 | 0.064 | 0.042 | 16.212 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 413 | GLY | 0 | 0.044 | 0.036 | 19.136 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 414 | GLN | 0 | -0.134 | -0.040 | 20.253 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 415 | THR | 0 | -0.018 | -0.039 | 22.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 416 | GLY | 0 | 0.026 | 0.023 | 25.040 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 417 | LYS | 1 | 0.865 | 0.937 | 24.619 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 418 | ILE | 0 | -0.018 | 0.004 | 18.676 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 419 | ALA | 0 | 0.057 | 0.043 | 20.352 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 420 | ASP | -1 | -0.786 | -0.851 | 21.373 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 421 | TYR | 0 | -0.013 | -0.010 | 23.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 422 | ASN | 0 | -0.050 | -0.016 | 19.864 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 423 | TYR | 0 | 0.026 | -0.031 | 11.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 424 | LYS | 1 | 0.871 | 0.955 | 17.578 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 425 | LEU | 0 | 0.004 | 0.025 | 12.487 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 426 | PRO | 0 | -0.008 | -0.007 | 15.337 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 427 | ASP | -1 | -0.875 | -0.962 | 17.978 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 428 | ASP | -1 | -0.949 | -0.974 | 18.138 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 429 | PHE | 0 | -0.061 | -0.022 | 10.335 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 430 | THR | 0 | 0.037 | 0.027 | 12.699 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 431 | GLY | 0 | 0.008 | -0.014 | 9.450 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 433 | VAL | 0 | 0.010 | 0.009 | 8.582 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 434 | ILE | 0 | -0.008 | 0.005 | 6.363 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 435 | ALA | 0 | -0.007 | -0.011 | 10.030 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 436 | TRP | 0 | 0.002 | 0.005 | 7.824 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 437 | ASN | 0 | 0.006 | 0.013 | 13.642 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 438 | SER | 0 | 0.038 | -0.007 | 14.658 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 439 | ASN | 0 | 0.037 | 0.024 | 16.632 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 440 | ASN | 0 | 0.004 | -0.012 | 16.706 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 441 | LEU | 0 | -0.024 | 0.001 | 14.014 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 442 | ASP | -1 | -0.745 | -0.766 | 16.111 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 443 | SER | 0 | 0.026 | 0.001 | 19.468 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 444 | LYS | 1 | 0.843 | 0.914 | 23.070 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 445 | VAL | 0 | 0.048 | 0.018 | 26.049 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 446 | GLY | 0 | 0.015 | 0.020 | 29.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 447 | GLY | 0 | 0.035 | 0.020 | 28.072 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 448 | ASN | 0 | -0.101 | -0.063 | 21.873 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 449 | TYR | 0 | -0.032 | -0.017 | 25.162 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 450 | ASN | 0 | 0.022 | 0.029 | 22.829 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 451 | TYR | 0 | -0.028 | -0.009 | 16.750 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 452 | LEU | 0 | 0.011 | 0.003 | 21.559 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 453 | TYR | 0 | 0.005 | -0.007 | 21.432 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 454 | ARG | 1 | 0.737 | 0.833 | 23.375 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 455 | LEU | 0 | -0.019 | -0.001 | 25.552 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 456 | PHE | 0 | 0.015 | 0.015 | 28.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 457 | ARG | 1 | 0.716 | 0.839 | 25.336 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 458 | LYS | 1 | 0.828 | 0.923 | 30.144 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 459 | SER | 0 | -0.016 | -0.005 | 29.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 460 | ASN | 0 | 0.022 | 0.002 | 25.820 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 461 | LEU | 0 | -0.089 | -0.003 | 20.092 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 462 | LYS | 1 | 0.930 | 0.947 | 22.448 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 463 | PRO | 0 | 0.062 | 0.018 | 18.108 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 464 | PHE | 0 | 0.017 | 0.017 | 11.751 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 465 | GLU | -1 | -0.769 | -0.817 | 16.426 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 466 | ARG | 1 | 0.898 | 0.955 | 15.775 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 467 | ASP | -1 | -0.713 | -0.821 | 19.668 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 468 | ILE | 0 | 0.042 | 0.021 | 20.898 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 469 | SER | 0 | -0.003 | 0.014 | 23.869 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 470 | THR | 0 | 0.021 | 0.000 | 27.596 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 471 | GLU | -1 | -0.762 | -0.806 | 29.887 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 472 | ILE | 0 | -0.011 | 0.006 | 32.775 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 473 | TYR | 0 | -0.010 | 0.011 | 33.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 474 | GLN | 0 | 0.017 | -0.001 | 35.052 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 475 | ALA | 0 | 0.031 | 0.031 | 37.739 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 476 | GLY | 0 | 0.054 | 0.035 | 39.042 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 477 | SER | 0 | -0.027 | -0.016 | 42.761 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 478 | THR | 0 | -0.044 | 0.001 | 44.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 479 | PRO | 0 | 0.045 | 0.030 | 42.795 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 488 | CYS | 0 | 0.018 | 0.047 | 38.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 481 | ASN | 0 | -0.020 | -0.010 | 41.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 482 | GLY | 0 | 0.039 | 0.031 | 38.557 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 483 | VAL | 0 | -0.013 | 0.009 | 38.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 484 | GLU | -1 | -0.721 | -0.798 | 36.234 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 485 | GLY | 0 | 0.006 | -0.001 | 39.097 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 486 | PHE | 0 | -0.002 | 0.002 | 40.823 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 487 | ASN | 0 | -0.018 | -0.013 | 40.504 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 489 | TYR | 0 | 0.034 | 0.006 | 34.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 490 | PHE | 0 | 0.013 | 0.003 | 28.908 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 491 | PRO | 0 | -0.025 | 0.005 | 29.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 492 | LEU | 0 | -0.017 | -0.002 | 25.000 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 493 | GLN | 0 | 0.020 | 0.015 | 26.941 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 494 | SER | 0 | 0.000 | 0.003 | 26.017 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 495 | TYR | 0 | -0.060 | -0.059 | 20.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 496 | GLY | 0 | 0.001 | -0.015 | 25.622 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 497 | PHE | 0 | -0.019 | -0.006 | 20.711 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 498 | GLN | 0 | 0.060 | 0.018 | 25.305 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 499 | PRO | 0 | -0.012 | -0.006 | 25.247 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 500 | THR | 0 | 0.011 | 0.015 | 26.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 501 | ASN | 0 | -0.008 | 0.001 | 26.272 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 502 | GLY | 0 | 0.037 | 0.031 | 27.262 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 503 | VAL | 0 | 0.024 | -0.008 | 22.674 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 504 | GLY | 0 | -0.016 | -0.004 | 23.099 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 505 | TYR | 0 | 0.039 | -0.001 | 23.675 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 506 | GLN | 0 | -0.006 | 0.019 | 21.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 507 | PRO | 0 | 0.002 | 0.020 | 18.630 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 508 | TYR | 0 | -0.016 | -0.001 | 15.814 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 509 | ARG | 1 | 0.791 | 0.893 | 11.356 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 510 | VAL | 0 | -0.003 | -0.009 | 11.162 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 511 | VAL | 0 | -0.009 | -0.017 | 4.396 | -0.129 | -0.039 | -0.001 | -0.006 | -0.082 | 0.000 |
166 | A | 512 | VAL | 0 | -0.010 | 0.000 | 7.857 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 513 | LEU | 0 | -0.037 | 0.004 | 2.556 | -1.190 | -0.312 | 0.589 | -0.277 | -1.189 | -0.002 |
168 | A | 514 | SER | 0 | 0.039 | -0.001 | 5.871 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 515 | PHE | 0 | -0.006 | -0.010 | 4.907 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 516 | GLU | -1 | -0.809 | -0.896 | 9.226 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | H | 2 | VAL | 0 | -0.045 | -0.027 | 40.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | H | 3 | GLN | 0 | -0.038 | 0.000 | 42.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | H | 4 | LEU | 0 | 0.015 | 0.007 | 43.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | H | 5 | VAL | 0 | 0.042 | 0.033 | 46.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | H | 6 | GLU | -1 | -0.751 | -0.852 | 48.099 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | H | 7 | THR | 0 | -0.040 | -0.034 | 49.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | H | 8 | GLY | 0 | 0.016 | 0.006 | 51.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | H | 9 | GLY | 0 | 0.041 | 0.030 | 53.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | H | 10 | GLY | 0 | 0.010 | -0.004 | 56.627 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | H | 11 | LEU | 0 | -0.050 | -0.017 | 60.121 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | H | 12 | ILE | 0 | -0.026 | -0.003 | 59.857 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | H | 13 | GLN | 0 | 0.068 | 0.048 | 61.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | H | 14 | PRO | 0 | 0.030 | 0.002 | 63.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | H | 15 | GLY | 0 | -0.007 | 0.004 | 63.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | H | 16 | GLY | 0 | -0.007 | 0.004 | 60.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | H | 17 | SER | 0 | -0.020 | -0.033 | 55.275 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | H | 18 | LEU | 0 | -0.022 | -0.006 | 55.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | H | 19 | ARG | 1 | 0.880 | 0.948 | 44.469 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | H | 20 | LEU | 0 | 0.008 | 0.033 | 51.005 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | H | 21 | SER | 0 | -0.001 | -0.021 | 46.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | H | 92 | CYS | 0 | -0.051 | -0.009 | 45.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 23 | ALA | 0 | 0.024 | 0.045 | 43.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 24 | ALA | 0 | 0.032 | 0.031 | 40.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 25 | SER | 0 | 0.000 | -0.012 | 39.976 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 26 | GLY | 0 | 0.026 | 0.003 | 38.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 27 | PHE | 0 | -0.007 | -0.005 | 36.297 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 28 | THR | 0 | 0.030 | 0.029 | 32.203 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 29 | VAL | 0 | 0.002 | -0.002 | 35.367 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 30 | SER | 0 | -0.026 | -0.012 | 32.323 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 31 | SER | 0 | 0.013 | 0.035 | 31.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 32 | ASN | 0 | 0.008 | 0.016 | 33.664 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 33 | TYR | 0 | 0.018 | 0.019 | 36.361 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 34 | MET | 0 | -0.043 | 0.010 | 40.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 35 | SER | 0 | 0.073 | 0.010 | 42.942 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 36 | TRP | 0 | -0.049 | -0.020 | 46.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 37 | VAL | 0 | -0.021 | -0.011 | 49.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 38 | ARG | 1 | 0.737 | 0.835 | 53.182 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 39 | GLN | 0 | 0.031 | 0.024 | 56.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 40 | ALA | 0 | 0.036 | 0.035 | 60.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 41 | PRO | 0 | -0.003 | -0.008 | 63.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 42 | GLY | 0 | 0.025 | 0.018 | 65.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 43 | LYS | 1 | 0.857 | 0.951 | 64.591 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 44 | GLY | 0 | 0.078 | 0.044 | 62.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 45 | LEU | 0 | -0.027 | -0.001 | 56.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 46 | GLU | -1 | -0.739 | -0.791 | 57.349 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 47 | TRP | 0 | 0.037 | 0.013 | 48.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | H | 48 | VAL | 0 | 0.013 | 0.017 | 52.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | H | 49 | SER | 0 | 0.011 | -0.003 | 48.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | H | 50 | VAL | 0 | -0.004 | 0.015 | 43.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | H | 51 | ILE | 0 | -0.026 | -0.012 | 39.880 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | H | 52 | TYR | 0 | -0.002 | -0.011 | 38.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | H | 53 | THR | 0 | 0.034 | 0.017 | 33.223 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | H | 54 | GLY | 0 | 0.038 | 0.035 | 33.754 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | H | 55 | GLY | 0 | -0.029 | 0.000 | 34.691 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | H | 56 | THR | 0 | 0.026 | 0.009 | 37.908 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | H | 57 | THR | 0 | -0.064 | -0.022 | 40.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | H | 58 | TYR | 0 | -0.018 | -0.015 | 42.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | H | 59 | TYR | 0 | -0.025 | -0.031 | 46.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | H | 60 | ALA | 0 | 0.033 | 0.040 | 50.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | H | 61 | ASP | -1 | -0.726 | -0.823 | 54.360 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | H | 62 | SER | 0 | -0.020 | -0.007 | 56.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | H | 63 | VAL | 0 | -0.017 | -0.005 | 53.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | H | 64 | LYS | 1 | 0.831 | 0.932 | 51.764 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | H | 65 | GLY | 0 | 0.024 | 0.023 | 52.885 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | H | 66 | ARG | 1 | 0.761 | 0.852 | 54.150 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | H | 67 | PHE | 0 | -0.005 | -0.008 | 52.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | H | 68 | THR | 0 | 0.013 | 0.005 | 46.472 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | H | 69 | ILE | 0 | -0.009 | 0.023 | 44.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | H | 70 | SER | 0 | 0.006 | -0.007 | 42.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | H | 71 | ARG | 1 | 0.882 | 0.923 | 34.499 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | H | 72 | ASP | -1 | -0.740 | -0.804 | 37.700 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | H | 73 | ASN | 0 | 0.033 | 0.001 | 31.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | H | 74 | SER | 0 | -0.066 | -0.025 | 33.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | H | 75 | LYS | 1 | 0.869 | 0.924 | 34.725 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | H | 76 | ASN | 0 | 0.024 | 0.029 | 36.374 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | H | 77 | THR | 0 | 0.011 | 0.016 | 37.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | H | 78 | LEU | 0 | 0.000 | 0.004 | 40.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | H | 79 | TYR | 0 | -0.024 | -0.038 | 42.349 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | H | 80 | LEU | 0 | 0.031 | 0.008 | 45.963 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | H | 81 | GLN | 0 | -0.016 | 0.014 | 48.892 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | H | 82 | MET | 0 | -0.028 | 0.004 | 50.646 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | H | 82 | ASN | 0 | 0.043 | 0.030 | 52.450 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | H | 82 | SER | 0 | 0.014 | -0.006 | 56.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | H | 82 | LEU | 0 | -0.014 | 0.021 | 57.773 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | H | 83 | ARG | 1 | 0.859 | 0.901 | 60.878 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | H | 84 | ALA | 0 | 0.090 | 0.050 | 63.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | H | 85 | GLU | -1 | -0.752 | -0.857 | 64.204 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | H | 86 | ASP | -1 | -0.753 | -0.796 | 59.718 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | H | 87 | THR | 0 | -0.035 | 0.007 | 60.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | H | 88 | ALA | 0 | 0.033 | 0.021 | 59.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | H | 89 | VAL | 0 | -0.040 | 0.003 | 56.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | H | 90 | TYR | 0 | -0.014 | -0.027 | 53.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | H | 91 | TYR | 0 | -0.012 | -0.015 | 51.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | H | 93 | ALA | 0 | 0.021 | -0.005 | 47.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | H | 94 | ARG | 1 | 0.813 | 0.872 | 40.317 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | H | 95 | ALA | 0 | 0.014 | 0.019 | 41.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | H | 96 | HIS | 0 | -0.024 | 0.018 | 42.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | H | 97 | VAL | 0 | 0.016 | 0.015 | 38.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | H | 98 | ASP | -1 | -0.699 | -0.808 | 37.994 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | H | 99 | THR | 0 | -0.002 | -0.011 | 35.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | H | 100 | ALA | 0 | -0.018 | 0.025 | 33.624 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | H | 100 | MET | 0 | -0.037 | 0.005 | 33.257 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | H | 100 | VAL | 0 | 0.001 | 0.008 | 36.148 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | H | 100 | GLU | -1 | -0.719 | -0.806 | 39.017 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | H | 100 | SER | 0 | 0.009 | -0.002 | 42.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | H | 100 | GLY | 0 | 0.037 | 0.027 | 45.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | H | 100 | ALA | 0 | -0.021 | 0.024 | 46.875 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | H | 100 | PHE | 0 | 0.023 | 0.008 | 46.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | H | 101 | ASP | -1 | -0.720 | -0.830 | 43.505 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | H | 102 | ILE | 0 | -0.038 | 0.003 | 43.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | H | 103 | TRP | 0 | 0.037 | 0.007 | 46.843 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | H | 104 | GLY | 0 | 0.051 | 0.048 | 49.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | H | 105 | GLN | 0 | 0.001 | 0.010 | 50.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | H | 106 | GLY | 0 | 0.012 | 0.017 | 52.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | H | 107 | THR | 0 | -0.049 | -0.032 | 53.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | H | 108 | ARG | 1 | 0.861 | 0.925 | 55.637 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | H | 109 | VAL | 0 | -0.005 | 0.018 | 57.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | H | 110 | THR | 0 | -0.010 | -0.027 | 60.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | H | 111 | VAL | 0 | 0.024 | 0.024 | 61.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | H | 112 | SER | 0 | -0.019 | -0.028 | 64.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | H | 113 | SER | 0 | 0.017 | 0.013 | 67.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | H | 114 | ALA | 0 | -0.023 | 0.013 | 69.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | H | 115 | SER | 0 | 0.053 | 0.027 | 70.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | H | 116 | THR | 0 | -0.038 | -0.023 | 72.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | H | 117 | LYS | 1 | 0.848 | 0.943 | 75.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | H | 118 | GLY | 0 | 0.025 | 0.010 | 78.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | H | 119 | PRO | 0 | -0.010 | -0.001 | 81.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | H | 120 | SER | 0 | 0.010 | 0.003 | 83.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | H | 121 | VAL | 0 | -0.050 | -0.020 | 85.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | H | 122 | PHE | 0 | 0.054 | 0.025 | 87.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | H | 123 | PRO | 0 | 0.023 | 0.026 | 90.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | H | 124 | LEU | 0 | -0.029 | 0.004 | 88.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | H | 125 | ALA | 0 | 0.027 | 0.013 | 93.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | H | 126 | PRO | 0 | 0.028 | 0.033 | 96.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | H | 127 | SER | 0 | -0.042 | -0.042 | 98.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | H | 128 | SER | 0 | -0.001 | 0.004 | 100.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | H | 129 | LYS | 1 | 0.902 | 0.940 | 102.390 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | H | 130 | SER | 0 | 0.029 | 0.022 | 103.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | H | 131 | THR | 0 | 0.035 | 0.012 | 104.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | H | 132 | SER | 0 | -0.025 | 0.017 | 102.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | H | 133 | GLY | 0 | 0.036 | 0.003 | 100.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | H | 134 | GLY | 0 | 0.055 | 0.027 | 100.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | H | 135 | THR | 0 | -0.009 | 0.004 | 97.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | H | 136 | ALA | 0 | -0.028 | 0.006 | 98.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | H | 137 | ALA | 0 | 0.023 | 0.010 | 92.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | H | 138 | LEU | 0 | -0.020 | 0.007 | 94.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | H | 139 | GLY | 0 | 0.052 | 0.001 | 90.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | H | 196 | CYS | 0 | -0.059 | 0.003 | 88.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | H | 141 | LEU | 0 | 0.041 | 0.047 | 84.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | H | 142 | VAL | 0 | -0.050 | -0.035 | 82.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | H | 143 | LYS | 1 | 0.885 | 0.931 | 82.238 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | H | 144 | ASP | -1 | -0.714 | -0.813 | 79.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | H | 145 | TYR | 0 | -0.032 | -0.034 | 76.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | H | 146 | PHE | 0 | 0.045 | 0.027 | 69.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | H | 147 | PRO | 0 | 0.041 | 0.033 | 71.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | H | 148 | GLU | -1 | -0.676 | -0.756 | 71.916 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | H | 149 | PRO | 0 | -0.018 | 0.010 | 73.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | H | 150 | VAL | 0 | 0.007 | 0.002 | 75.663 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | H | 151 | THR | 0 | -0.028 | -0.004 | 79.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | H | 152 | VAL | 0 | 0.002 | -0.004 | 81.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | H | 153 | SER | 0 | 0.003 | 0.029 | 85.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | H | 154 | TRP | 0 | 0.011 | 0.009 | 88.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | H | 155 | ASN | 0 | 0.003 | -0.009 | 91.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | H | 156 | SER | 0 | -0.005 | -0.012 | 91.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | H | 157 | GLY | 0 | -0.002 | 0.021 | 90.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | H | 158 | ALA | 0 | 0.019 | 0.020 | 91.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | H | 159 | LEU | 0 | -0.007 | 0.025 | 93.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | H | 160 | THR | 0 | 0.067 | 0.039 | 89.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | H | 161 | SER | 0 | 0.045 | 0.034 | 89.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | H | 162 | GLY | 0 | 0.089 | 0.063 | 91.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | H | 163 | VAL | 0 | -0.054 | 0.004 | 87.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | H | 164 | HIS | 0 | 0.003 | 0.018 | 81.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | H | 165 | THR | 0 | -0.014 | -0.007 | 82.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | H | 166 | PHE | 0 | 0.079 | 0.049 | 80.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | H | 167 | PRO | 0 | 0.009 | 0.008 | 75.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | H | 168 | ALA | 0 | 0.030 | 0.021 | 75.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | H | 169 | VAL | 0 | -0.044 | -0.008 | 75.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | H | 170 | LEU | 0 | -0.031 | -0.008 | 68.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | H | 171 | GLN | 0 | 0.006 | 0.045 | 72.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | H | 172 | SER | 0 | -0.008 | -0.017 | 71.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | H | 173 | SER | 0 | 0.005 | -0.005 | 71.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | H | 174 | GLY | 0 | 0.023 | 0.025 | 71.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | H | 175 | LEU | 0 | -0.033 | -0.001 | 71.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | H | 176 | TYR | 0 | -0.032 | -0.033 | 70.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | H | 177 | SER | 0 | -0.015 | -0.024 | 76.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | H | 178 | LEU | 0 | -0.045 | 0.004 | 78.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | H | 179 | SER | 0 | 0.070 | 0.013 | 81.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | H | 180 | SER | 0 | -0.037 | -0.020 | 84.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | H | 181 | VAL | 0 | 0.022 | 0.000 | 86.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | H | 182 | VAL | 0 | 0.000 | 0.016 | 89.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | H | 183 | THR | 0 | 0.011 | -0.001 | 91.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | H | 184 | VAL | 0 | 0.007 | 0.012 | 94.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | H | 185 | PRO | 0 | 0.047 | 0.023 | 97.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | H | 186 | SER | 0 | 0.024 | 0.000 | 101.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | H | 187 | SER | 0 | -0.025 | -0.016 | 102.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | H | 188 | SER | 0 | -0.001 | 0.018 | 101.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | H | 189 | LEU | 0 | -0.014 | -0.015 | 100.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | H | 190 | GLY | 0 | 0.007 | 0.021 | 103.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | H | 191 | THR | 0 | -0.018 | -0.017 | 106.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | H | 192 | GLN | 0 | 0.009 | 0.028 | 101.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | H | 193 | THR | 0 | 0.011 | 0.017 | 99.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | H | 194 | TYR | 0 | 0.001 | 0.003 | 96.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | H | 195 | ILE | 0 | 0.013 | 0.003 | 93.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | H | 197 | ASN | 0 | 0.007 | -0.019 | 89.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | H | 198 | VAL | 0 | 0.026 | 0.018 | 84.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | H | 199 | ASN | 0 | -0.016 | -0.016 | 81.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | H | 200 | HIS | 1 | 0.836 | 0.885 | 76.543 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | H | 201 | LYS | 1 | 0.964 | 0.973 | 77.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | H | 202 | PRO | 0 | -0.003 | 0.014 | 74.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | H | 203 | SER | 0 | 0.004 | -0.004 | 76.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | H | 204 | ASN | 0 | -0.045 | -0.024 | 79.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | H | 205 | THR | 0 | 0.013 | 0.039 | 81.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | H | 206 | LYS | 1 | 0.923 | 0.950 | 83.967 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | H | 207 | VAL | 0 | -0.017 | -0.001 | 86.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | H | 208 | ASP | -1 | -0.731 | -0.800 | 89.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | H | 209 | LYS | 1 | 0.788 | 0.891 | 91.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | H | 210 | ARG | 1 | 0.888 | 0.932 | 93.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | H | 211 | VAL | 0 | -0.009 | -0.009 | 93.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | H | 212 | GLU | -1 | -0.837 | -0.880 | 97.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | H | 213 | PRO | 0 | -0.016 | -0.018 | 100.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | H | 214 | LYS | 1 | 0.855 | 0.933 | 97.277 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | L | 3 | ALA | 0 | 0.046 | 0.025 | 61.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | L | 4 | LEU | 0 | -0.057 | -0.014 | 58.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | L | 5 | THR | 0 | 0.002 | -0.002 | 62.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | L | 6 | GLN | 0 | 0.005 | -0.010 | 62.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | L | 7 | PRO | 0 | 0.001 | 0.033 | 66.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | L | 8 | ALA | 0 | 0.020 | 0.030 | 68.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | L | 9 | SER | 0 | -0.053 | -0.029 | 70.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | L | 11 | VAL | 0 | -0.012 | 0.008 | 69.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | L | 12 | SER | 0 | -0.013 | -0.033 | 71.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | L | 13 | GLY | 0 | 0.056 | 0.036 | 73.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | L | 14 | SER | 0 | 0.010 | 0.017 | 73.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | L | 15 | PRO | 0 | 0.036 | 0.017 | 71.940 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | L | 16 | GLY | 0 | 0.036 | 0.036 | 71.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | L | 17 | GLN | 0 | 0.025 | 0.030 | 71.771 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | L | 18 | SER | 0 | 0.016 | 0.000 | 68.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | L | 19 | ILE | 0 | -0.041 | 0.002 | 67.008 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 20 | THR | 0 | 0.034 | 0.003 | 65.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 21 | ILE | 0 | -0.020 | 0.020 | 64.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 22 | SER | 0 | 0.020 | 0.014 | 64.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 88 | CYS | 0 | -0.045 | -0.027 | 58.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 24 | THR | 0 | -0.014 | 0.004 | 62.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 25 | GLY | 0 | 0.041 | 0.025 | 61.428 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 26 | THR | 0 | -0.035 | -0.025 | 60.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 27 | SER | 0 | 0.042 | 0.023 | 60.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 27 | SER | 0 | 0.023 | 0.045 | 56.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 27 | ASP | -1 | -0.679 | -0.780 | 55.610 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 27 | VAL | 0 | -0.023 | -0.026 | 55.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 28 | GLY | 0 | 0.016 | 0.011 | 57.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 29 | SER | 0 | -0.009 | 0.007 | 54.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 30 | TYR | 0 | -0.012 | 0.020 | 50.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 31 | ASN | 0 | -0.012 | -0.001 | 51.371 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 32 | LEU | 0 | 0.024 | 0.022 | 47.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 33 | VAL | 0 | 0.035 | 0.042 | 51.347 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 34 | SER | 0 | 0.001 | -0.011 | 51.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 35 | TRP | 0 | -0.027 | -0.020 | 53.946 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | L | 36 | TYR | 0 | -0.004 | -0.015 | 51.533 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | L | 37 | GLN | 0 | 0.002 | 0.028 | 56.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | L | 38 | GLN | 0 | 0.016 | 0.007 | 57.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | L | 39 | HIS | 0 | 0.007 | 0.028 | 60.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | L | 40 | PRO | 0 | 0.018 | -0.004 | 61.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | L | 41 | GLY | 0 | -0.005 | 0.014 | 61.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | L | 42 | LYS | 1 | 0.868 | 0.943 | 57.162 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | L | 43 | ALA | 0 | 0.108 | 0.059 | 53.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | L | 44 | PRO | 0 | -0.021 | -0.008 | 54.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | L | 45 | LYS | 1 | 0.901 | 0.978 | 53.318 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | L | 46 | LEU | 0 | -0.028 | -0.011 | 48.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | L | 47 | MET | 0 | -0.053 | -0.020 | 52.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | L | 48 | ILE | 0 | -0.017 | -0.015 | 53.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | L | 49 | TYR | 0 | 0.009 | -0.029 | 46.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | L | 50 | GLU | -1 | -0.745 | -0.855 | 46.592 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | L | 51 | VAL | 0 | -0.062 | 0.000 | 51.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | L | 52 | THR | 0 | 0.002 | 0.002 | 53.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | L | 53 | LYS | 1 | 0.884 | 0.979 | 46.130 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | L | 54 | ARG | 1 | 0.956 | 0.979 | 51.711 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | L | 55 | PRO | 0 | 0.012 | 0.022 | 48.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | L | 56 | SER | 0 | 0.004 | 0.005 | 46.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | L | 57 | GLY | 0 | 0.041 | 0.025 | 48.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | L | 58 | VAL | 0 | -0.046 | 0.006 | 51.732 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | L | 59 | SER | 0 | 0.041 | 0.016 | 54.393 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | L | 60 | ASN | 0 | 0.008 | -0.014 | 57.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | L | 61 | ARG | 1 | 0.804 | 0.886 | 58.369 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | L | 62 | PHE | 0 | -0.041 | 0.005 | 58.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | L | 63 | SER | 0 | 0.011 | -0.007 | 58.260 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | L | 64 | GLY | 0 | 0.034 | 0.018 | 58.206 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | L | 65 | SER | 0 | -0.021 | 0.010 | 58.598 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | L | 66 | LYS | 1 | 0.890 | 0.945 | 55.941 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | L | 67 | SER | 0 | 0.026 | 0.027 | 60.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | L | 68 | GLY | 0 | 0.084 | 0.055 | 62.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | L | 69 | ASN | 0 | 0.019 | 0.006 | 61.396 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | L | 70 | THR | 0 | -0.012 | -0.005 | 62.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | L | 71 | ALA | 0 | 0.025 | 0.034 | 59.553 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | L | 72 | SER | 0 | -0.016 | -0.036 | 61.337 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | L | 73 | LEU | 0 | 0.004 | 0.025 | 59.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | L | 74 | THR | 0 | 0.000 | -0.007 | 62.072 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | L | 75 | ILE | 0 | 0.000 | 0.009 | 62.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | L | 76 | SER | 0 | 0.045 | 0.031 | 64.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | L | 77 | GLY | 0 | 0.034 | 0.020 | 65.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | L | 78 | LEU | 0 | -0.041 | 0.000 | 67.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | L | 79 | GLN | 0 | 0.015 | 0.016 | 64.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | L | 80 | ALA | 0 | 0.071 | 0.041 | 67.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | L | 81 | GLU | -1 | -0.738 | -0.846 | 62.890 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | L | 82 | ASP | -1 | -0.742 | -0.815 | 63.583 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | L | 83 | GLU | -1 | -0.768 | -0.786 | 64.874 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | L | 84 | ALA | 0 | 0.014 | 0.018 | 62.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | L | 85 | ASP | -1 | -0.783 | -0.851 | 63.325 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | L | 86 | TYR | 0 | -0.024 | -0.043 | 60.940 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | L | 87 | TYR | 0 | -0.046 | -0.006 | 58.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | L | 89 | CYS | 0 | -0.046 | -0.020 | 53.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | L | 90 | SER | 0 | 0.011 | 0.000 | 54.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | L | 91 | TYR | 0 | 0.018 | 0.027 | 47.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | L | 92 | ALA | 0 | 0.005 | -0.007 | 51.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | L | 93 | GLY | 0 | 0.071 | 0.049 | 50.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | L | 94 | SER | 0 | -0.017 | -0.010 | 48.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | L | 95 | SER | 0 | -0.013 | -0.004 | 45.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | L | 95 | THR | 0 | -0.033 | -0.008 | 47.355 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | L | 96 | TRP | 0 | -0.017 | -0.022 | 45.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | L | 97 | VAL | 0 | -0.009 | 0.016 | 52.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | L | 98 | PHE | 0 | 0.026 | 0.002 | 52.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | L | 99 | GLY | 0 | 0.041 | 0.023 | 58.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | L | 100 | GLY | 0 | 0.013 | 0.023 | 61.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | L | 101 | GLY | 0 | 0.042 | 0.015 | 63.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | L | 102 | THR | 0 | -0.032 | -0.021 | 64.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | L | 103 | LYS | 1 | 0.883 | 0.952 | 66.051 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | L | 104 | LEU | 0 | -0.018 | 0.006 | 66.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | L | 105 | THR | 0 | -0.037 | -0.023 | 68.665 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | L | 106 | VAL | 0 | 0.001 | 0.006 | 68.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | L | 106 | LEU | 0 | -0.018 | -0.006 | 71.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | L | 107 | GLY | 0 | 0.087 | 0.052 | 75.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | L | 108 | GLN | 0 | 0.004 | 0.026 | 77.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | L | 109 | PRO | 0 | 0.054 | 0.027 | 80.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | L | 110 | LYS | 1 | 0.855 | 0.935 | 77.306 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | L | 111 | ALA | 0 | -0.030 | -0.001 | 81.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | L | 112 | ALA | 0 | 0.060 | 0.029 | 82.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | L | 113 | PRO | 0 | -0.026 | 0.001 | 83.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | L | 114 | SER | 0 | 0.041 | 0.047 | 84.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | L | 115 | VAL | 0 | -0.003 | -0.004 | 85.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | L | 116 | THR | 0 | -0.007 | 0.001 | 87.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | L | 117 | LEU | 0 | -0.021 | -0.004 | 88.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | L | 118 | PHE | 0 | 0.015 | 0.023 | 89.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | L | 119 | PRO | 0 | 0.002 | 0.007 | 90.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | L | 120 | PRO | 0 | 0.051 | 0.030 | 90.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | L | 121 | SER | 0 | 0.024 | 0.030 | 92.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | L | 122 | SER | 0 | 0.040 | 0.019 | 94.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | L | 123 | GLU | -1 | -0.770 | -0.877 | 93.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | L | 124 | GLU | -1 | -0.730 | -0.799 | 87.624 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | L | 125 | LEU | 0 | -0.009 | -0.001 | 92.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | L | 126 | GLN | 0 | -0.003 | 0.018 | 94.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | L | 127 | ALA | 0 | 0.003 | 0.025 | 90.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | L | 128 | ASN | 0 | 0.003 | -0.002 | 90.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | L | 129 | LYN | 0 | 0.024 | 0.041 | 85.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | L | 130 | ALA | 0 | -0.014 | -0.016 | 88.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | L | 131 | THR | 0 | 0.009 | -0.013 | 84.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | L | 132 | LEU | 0 | -0.013 | 0.015 | 87.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | L | 133 | VAL | 0 | -0.001 | -0.002 | 85.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | L | 193 | CYS | 0 | -0.077 | -0.016 | 84.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | L | 135 | LEU | 0 | 0.003 | 0.002 | 83.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | L | 136 | ILE | 0 | 0.003 | 0.025 | 80.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | L | 137 | SER | 0 | 0.039 | 0.004 | 82.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | L | 138 | ASP | -1 | -0.790 | -0.858 | 83.221 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | L | 139 | PHE | 0 | 0.016 | 0.028 | 77.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | L | 140 | TYR | 0 | -0.008 | -0.028 | 75.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | L | 141 | PRO | 0 | 0.039 | 0.010 | 74.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | L | 142 | GLY | 0 | 0.031 | 0.015 | 74.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | L | 143 | ALA | 0 | -0.041 | -0.013 | 73.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | L | 144 | VAL | 0 | 0.008 | 0.021 | 75.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | L | 145 | THR | 0 | -0.025 | 0.002 | 75.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | L | 146 | VAL | 0 | -0.027 | -0.005 | 77.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | L | 147 | ALA | 0 | 0.005 | 0.031 | 79.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | L | 148 | TRP | 0 | 0.004 | -0.024 | 81.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | L | 149 | LYS | 1 | 0.858 | 0.918 | 84.652 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | L | 150 | ALA | 0 | 0.027 | 0.017 | 87.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | L | 151 | ASP | -1 | -0.795 | -0.882 | 90.001 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | L | 152 | SER | 0 | 0.051 | 0.038 | 90.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | L | 153 | SER | 0 | 0.025 | 0.026 | 86.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | L | 154 | PRO | 0 | -0.023 | -0.024 | 83.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | L | 155 | VAL | 0 | 0.034 | 0.030 | 83.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | L | 156 | LYS | 1 | 0.896 | 0.939 | 77.028 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | L | 157 | ALA | 0 | 0.060 | 0.038 | 78.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | L | 158 | GLY | 0 | 0.065 | 0.035 | 79.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | L | 159 | VAL | 0 | -0.052 | -0.005 | 78.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | L | 160 | GLU | -1 | -0.766 | -0.828 | 75.132 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | L | 161 | THR | 0 | -0.010 | 0.005 | 76.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | L | 162 | THR | 0 | -0.027 | 0.011 | 74.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | L | 163 | THR | 0 | 0.040 | 0.051 | 69.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | L | 164 | PRO | 0 | -0.015 | 0.004 | 72.860 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | L | 165 | SER | 0 | -0.031 | 0.001 | 73.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | L | 166 | LYS | 1 | 0.884 | 0.941 | 72.848 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | L | 167 | GLN | 0 | 0.009 | 0.000 | 75.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | L | 168 | SER | 0 | 0.044 | 0.016 | 78.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | L | 169 | ASN | 0 | 0.033 | 0.026 | 80.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | L | 170 | ASN | 0 | 0.006 | -0.005 | 76.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | L | 171 | LYS | 1 | 0.870 | 0.982 | 77.708 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | L | 172 | TYR | 0 | -0.037 | -0.026 | 72.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | L | 173 | ALA | 0 | 0.019 | 0.010 | 78.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | L | 174 | ALA | 0 | -0.021 | -0.009 | 77.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | L | 175 | SER | 0 | 0.018 | 0.017 | 78.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | L | 176 | SER | 0 | -0.023 | -0.026 | 79.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | L | 177 | TYR | 0 | 0.016 | 0.004 | 80.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | L | 178 | LEU | 0 | 0.017 | 0.029 | 81.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | L | 179 | SER | 0 | -0.042 | -0.025 | 82.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | L | 180 | LEU | 0 | -0.019 | -0.002 | 84.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | L | 181 | THR | 0 | 0.064 | 0.040 | 87.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | L | 182 | PRO | 0 | -0.007 | -0.010 | 89.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | L | 183 | GLU | -1 | -0.872 | -0.894 | 91.926 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | L | 184 | GLN | 0 | 0.081 | 0.044 | 86.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | L | 185 | TRP | 0 | -0.002 | 0.008 | 91.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | L | 186 | LYS | 1 | 0.898 | 0.934 | 93.038 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | L | 187 | SER | 0 | 0.020 | 0.020 | 93.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | L | 188 | HIS | 1 | 0.793 | 0.913 | 91.731 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | L | 189 | ARG | 1 | 0.861 | 0.916 | 95.367 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | L | 190 | SER | 0 | -0.028 | -0.018 | 95.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | L | 191 | TYR | 0 | -0.042 | -0.045 | 88.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | L | 192 | SER | 0 | 0.011 | 0.009 | 89.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | L | 194 | GLN | 0 | 0.055 | 0.033 | 84.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | L | 195 | VAL | 0 | 0.049 | 0.034 | 81.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | L | 196 | THR | 0 | -0.021 | 0.000 | 80.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | L | 197 | HIS | 0 | 0.007 | 0.001 | 79.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | L | 198 | GLU | -1 | -0.750 | -0.803 | 76.745 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | L | 199 | GLY | 0 | 0.018 | 0.025 | 79.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | L | 200 | SER | 0 | -0.026 | 0.001 | 81.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | L | 201 | THR | 0 | 0.003 | -0.011 | 83.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | L | 202 | VAL | 0 | 0.002 | 0.035 | 85.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | L | 203 | GLU | -1 | -0.775 | -0.861 | 87.306 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | L | 204 | LYS | 1 | 0.847 | 0.932 | 89.736 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | L | 205 | THR | 0 | 0.053 | 0.008 | 90.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | L | 206 | VAL | 0 | -0.006 | 0.001 | 92.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | L | 207 | ALA | 0 | 0.058 | 0.016 | 95.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | L | 208 | PRO | 0 | -0.036 | 0.002 | 96.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | L | 209 | THR | 0 | 0.031 | 0.029 | 98.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 1101 | HOH | 0 | -0.063 | -0.048 | 12.326 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 1102 | HOH | 0 | -0.010 | -0.014 | 36.291 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 1103 | HOH | 0 | -0.015 | -0.017 | 24.623 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 1104 | HOH | 0 | 0.015 | -0.010 | 22.835 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 1105 | HOH | 0 | -0.006 | -0.010 | 14.935 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 1106 | HOH | 0 | -0.008 | -0.007 | 25.004 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 1107 | HOH | 0 | 0.002 | -0.008 | 31.033 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 1108 | HOH | 0 | -0.032 | -0.049 | 35.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 1109 | HOH | 0 | -0.006 | -0.011 | 32.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 1110 | HOH | 0 | 0.002 | -0.017 | 16.675 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 1111 | HOH | 0 | -0.002 | 0.001 | 27.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 1112 | HOH | 0 | -0.002 | -0.007 | 31.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 1113 | HOH | 0 | 0.007 | -0.001 | 29.090 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 1114 | HOH | 0 | -0.002 | -0.018 | 24.120 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 1115 | HOH | 0 | -0.035 | -0.036 | 35.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 1116 | HOH | 0 | -0.003 | -0.010 | 27.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 1117 | HOH | 0 | 0.015 | 0.016 | 44.215 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 1118 | HOH | 0 | 0.018 | 0.006 | 29.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 1119 | HOH | 0 | -0.010 | -0.017 | 10.818 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 1120 | HOH | 0 | -0.024 | -0.029 | 21.814 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 1121 | HOH | 0 | -0.020 | -0.029 | 30.456 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 1122 | HOH | 0 | -0.021 | -0.018 | 36.329 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 1123 | HOH | 0 | 0.030 | 0.017 | 28.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 1124 | HOH | 0 | -0.016 | -0.005 | 39.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 1125 | HOH | 0 | 0.014 | -0.013 | 17.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 1126 | HOH | 0 | -0.004 | -0.013 | 9.834 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 1127 | HOH | 0 | -0.020 | -0.017 | 7.995 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 1128 | HOH | 0 | 0.008 | 0.001 | 29.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 1129 | HOH | 0 | -0.025 | -0.024 | 18.405 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 1130 | HOH | 0 | -0.026 | -0.019 | 7.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 1131 | HOH | 0 | -0.014 | -0.016 | 22.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 1132 | HOH | 0 | -0.026 | -0.031 | 19.560 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 1133 | HOH | 0 | -0.009 | -0.018 | 29.591 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 1134 | HOH | 0 | -0.011 | -0.012 | 39.195 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 1135 | HOH | 0 | -0.006 | -0.001 | 15.863 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 1136 | HOH | 0 | -0.001 | -0.011 | 16.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 1137 | HOH | 0 | -0.024 | -0.026 | 7.866 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 1138 | HOH | 0 | -0.027 | -0.032 | 15.275 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 1139 | HOH | 0 | 0.045 | 0.042 | 17.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 1140 | HOH | 0 | -0.011 | -0.005 | 19.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 1141 | HOH | 0 | 0.000 | -0.012 | 18.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 1142 | HOH | 0 | -0.012 | -0.013 | 30.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 1143 | HOH | 0 | -0.034 | -0.033 | 42.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 1144 | HOH | 0 | 0.035 | 0.012 | 26.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 1145 | HOH | 0 | -0.035 | -0.034 | 24.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 1146 | HOH | 0 | 0.004 | -0.011 | 20.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 1147 | HOH | 0 | -0.019 | -0.015 | 26.251 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 1148 | HOH | 0 | 0.055 | 0.043 | 35.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 1149 | HOH | 0 | 0.001 | -0.002 | 42.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 1150 | HOH | 0 | 0.005 | -0.008 | 44.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 1151 | HOH | 0 | 0.000 | -0.008 | 37.458 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 1152 | HOH | 0 | -0.005 | -0.005 | 12.598 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 1153 | HOH | 0 | 0.031 | 0.011 | 36.002 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 1154 | HOH | 0 | -0.018 | -0.013 | 49.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 1155 | HOH | 0 | -0.002 | -0.009 | 39.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 1156 | HOH | 0 | -0.005 | -0.012 | 17.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 1157 | HOH | 0 | -0.023 | -0.029 | 34.672 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 1158 | HOH | 0 | -0.036 | -0.047 | 25.251 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 1159 | HOH | 0 | 0.007 | -0.006 | 40.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 1160 | HOH | 0 | -0.026 | -0.034 | 19.449 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 1161 | HOH | 0 | -0.016 | -0.015 | 21.238 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 1162 | HOH | 0 | 0.001 | -0.008 | 17.718 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 1163 | HOH | 0 | 0.023 | 0.024 | 29.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 1164 | HOH | 0 | -0.015 | -0.013 | 18.313 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 1165 | HOH | 0 | 0.031 | 0.013 | 32.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 1166 | HOH | 0 | -0.003 | -0.020 | 24.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 1167 | HOH | 0 | 0.003 | -0.007 | 26.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 1168 | HOH | 0 | -0.049 | -0.039 | 18.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 1169 | HOH | 0 | 0.008 | -0.011 | 29.666 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 1170 | HOH | 0 | -0.019 | -0.024 | 27.290 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 1171 | HOH | 0 | 0.026 | 0.012 | 24.768 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 1172 | HOH | 0 | -0.028 | -0.033 | 33.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 1173 | HOH | 0 | -0.010 | -0.011 | 35.750 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 1174 | HOH | 0 | -0.019 | -0.023 | 42.326 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 1175 | HOH | 0 | 0.019 | 0.007 | 16.603 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 1176 | HOH | 0 | 0.028 | 0.008 | 30.884 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 1177 | HOH | 0 | 0.003 | 0.002 | 12.834 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 1178 | HOH | 0 | 0.000 | -0.005 | 36.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 1179 | HOH | 0 | -0.027 | -0.018 | 32.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 1180 | HOH | 0 | 0.001 | 0.002 | 30.963 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 1181 | HOH | 0 | -0.005 | -0.002 | 29.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 1182 | HOH | 0 | 0.009 | -0.003 | 28.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 1183 | HOH | 0 | -0.006 | -0.017 | 31.889 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 1184 | HOH | 0 | -0.022 | -0.030 | 34.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 1185 | HOH | 0 | 0.016 | 0.009 | 46.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 1186 | HOH | 0 | 0.010 | -0.005 | 16.286 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 1187 | HOH | 0 | -0.033 | -0.025 | 47.733 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | H | 301 | HOH | 0 | -0.004 | -0.014 | 82.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | H | 302 | HOH | 0 | -0.006 | -0.010 | 44.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | H | 303 | HOH | 0 | 0.000 | -0.001 | 47.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | H | 304 | HOH | 0 | -0.020 | -0.013 | 37.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | H | 305 | HOH | 0 | -0.039 | -0.035 | 38.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | H | 306 | HOH | 0 | -0.005 | -0.006 | 42.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | H | 307 | HOH | 0 | -0.013 | -0.020 | 76.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | H | 308 | HOH | 0 | -0.003 | -0.006 | 58.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | H | 309 | HOH | 0 | 0.000 | -0.002 | 57.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | H | 310 | HOH | 0 | 0.013 | 0.004 | 29.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | H | 311 | HOH | 0 | -0.007 | -0.007 | 61.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | H | 312 | HOH | 0 | -0.021 | -0.013 | 83.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | H | 313 | HOH | 0 | -0.023 | -0.015 | 32.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | H | 314 | HOH | 0 | 0.018 | 0.007 | 87.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | H | 315 | HOH | 0 | 0.003 | 0.004 | 47.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | H | 316 | HOH | 0 | -0.043 | -0.047 | 55.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | H | 317 | HOH | 0 | -0.027 | -0.022 | 45.899 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | H | 318 | HOH | 0 | -0.029 | -0.020 | 53.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | H | 319 | HOH | 0 | -0.001 | -0.009 | 91.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | H | 320 | HOH | 0 | -0.005 | -0.005 | 44.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | H | 321 | HOH | 0 | -0.005 | -0.004 | 96.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | H | 322 | HOH | 0 | 0.002 | -0.011 | 95.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | H | 323 | HOH | 0 | -0.007 | -0.010 | 49.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | H | 324 | HOH | 0 | -0.010 | -0.022 | 62.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | H | 325 | HOH | 0 | -0.028 | -0.024 | 45.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | H | 326 | HOH | 0 | -0.023 | -0.020 | 57.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | H | 327 | HOH | 0 | -0.010 | -0.018 | 43.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | H | 328 | HOH | 0 | -0.004 | -0.010 | 95.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | H | 329 | HOH | 0 | -0.047 | -0.038 | 67.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | H | 330 | HOH | 0 | -0.025 | -0.030 | 61.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | H | 331 | HOH | 0 | 0.010 | 0.001 | 50.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | H | 332 | HOH | 0 | -0.023 | -0.021 | 79.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | H | 333 | HOH | 0 | -0.026 | -0.031 | 91.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | H | 334 | HOH | 0 | -0.017 | -0.016 | 40.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | H | 335 | HOH | 0 | -0.012 | -0.018 | 78.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | H | 336 | HOH | 0 | -0.017 | -0.007 | 35.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | H | 337 | HOH | 0 | -0.012 | -0.014 | 56.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | H | 338 | HOH | 0 | -0.023 | -0.013 | 49.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | H | 339 | HOH | 0 | -0.019 | -0.018 | 42.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | H | 340 | HOH | 0 | 0.032 | 0.019 | 37.595 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | H | 341 | HOH | 0 | 0.000 | -0.013 | 99.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | H | 342 | HOH | 0 | -0.001 | -0.008 | 102.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | H | 343 | HOH | 0 | 0.026 | 0.021 | 69.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | H | 344 | HOH | 0 | -0.040 | -0.047 | 41.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | H | 345 | HOH | 0 | 0.003 | -0.009 | 87.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | H | 346 | HOH | 0 | -0.024 | -0.033 | 94.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | H | 347 | HOH | 0 | -0.025 | -0.015 | 51.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | H | 348 | HOH | 0 | 0.016 | 0.012 | 69.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | H | 349 | HOH | 0 | 0.012 | 0.005 | 55.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | H | 350 | HOH | 0 | 0.031 | 0.020 | 72.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | H | 351 | HOH | 0 | -0.027 | -0.027 | 74.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | H | 352 | HOH | 0 | -0.011 | -0.017 | 66.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | H | 353 | HOH | 0 | -0.020 | -0.029 | 99.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | H | 354 | HOH | 0 | -0.025 | -0.036 | 80.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | H | 355 | HOH | 0 | -0.002 | -0.012 | 72.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | H | 356 | HOH | 0 | -0.006 | -0.017 | 32.792 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | H | 357 | HOH | 0 | 0.008 | 0.006 | 59.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | H | 358 | HOH | 0 | -0.054 | -0.039 | 90.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | H | 359 | HOH | 0 | -0.015 | -0.030 | 61.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | H | 360 | HOH | 0 | -0.001 | -0.001 | 32.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | H | 361 | HOH | 0 | -0.005 | -0.003 | 61.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | H | 362 | HOH | 0 | 0.002 | -0.016 | 48.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | H | 363 | HOH | 0 | -0.028 | -0.020 | 64.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | H | 364 | HOH | 0 | -0.049 | -0.039 | 37.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | H | 365 | HOH | 0 | -0.026 | -0.031 | 94.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | H | 366 | HOH | 0 | -0.016 | -0.018 | 36.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | H | 367 | HOH | 0 | -0.008 | -0.012 | 107.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | H | 368 | HOH | 0 | 0.006 | 0.002 | 43.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | H | 369 | HOH | 0 | -0.007 | -0.009 | 62.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | H | 370 | HOH | 0 | -0.003 | -0.010 | 64.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | H | 371 | HOH | 0 | -0.049 | -0.043 | 107.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | H | 372 | HOH | 0 | -0.013 | -0.019 | 71.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | H | 373 | HOH | 0 | 0.004 | 0.000 | 86.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | H | 374 | HOH | 0 | -0.007 | -0.020 | 44.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | H | 375 | HOH | 0 | 0.037 | 0.024 | 69.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | H | 376 | HOH | 0 | 0.003 | 0.001 | 55.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | H | 377 | HOH | 0 | -0.018 | -0.012 | 77.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | H | 378 | HOH | 0 | 0.002 | -0.005 | 46.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | H | 379 | HOH | 0 | 0.013 | 0.003 | 55.678 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | H | 380 | HOH | 0 | -0.032 | -0.037 | 77.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | H | 381 | HOH | 0 | 0.013 | 0.004 | 43.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | H | 382 | HOH | 0 | 0.022 | 0.020 | 43.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | H | 383 | HOH | 0 | -0.020 | -0.018 | 79.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | H | 384 | HOH | 0 | -0.028 | -0.029 | 66.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | H | 385 | HOH | 0 | -0.007 | -0.005 | 79.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | H | 386 | HOH | 0 | -0.026 | -0.026 | 31.273 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | H | 387 | HOH | 0 | 0.008 | -0.016 | 56.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | H | 388 | HOH | 0 | -0.024 | -0.044 | 53.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | H | 389 | HOH | 0 | -0.011 | -0.009 | 43.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | H | 390 | HOH | 0 | -0.029 | -0.032 | 49.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | H | 391 | HOH | 0 | -0.002 | -0.015 | 41.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | H | 392 | HOH | 0 | -0.020 | -0.040 | 88.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | H | 393 | HOH | 0 | -0.042 | -0.037 | 38.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | H | 394 | HOH | 0 | -0.026 | -0.026 | 97.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | H | 395 | HOH | 0 | -0.037 | -0.027 | 64.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | H | 396 | HOH | 0 | -0.032 | -0.028 | 82.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | H | 397 | HOH | 0 | -0.023 | -0.013 | 48.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | H | 398 | HOH | 0 | -0.039 | -0.047 | 41.314 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | H | 399 | HOH | 0 | -0.019 | -0.013 | 57.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | H | 400 | HOH | 0 | -0.020 | -0.021 | 39.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | H | 401 | HOH | 0 | -0.026 | -0.023 | 67.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | H | 402 | HOH | 0 | -0.045 | -0.039 | 76.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | H | 403 | HOH | 0 | 0.055 | 0.034 | 81.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | H | 404 | HOH | 0 | -0.013 | -0.011 | 53.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | H | 405 | HOH | 0 | 0.010 | 0.006 | 52.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | H | 406 | HOH | 0 | 0.011 | 0.001 | 53.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | H | 407 | HOH | 0 | -0.007 | -0.010 | 84.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | H | 408 | HOH | 0 | -0.014 | -0.012 | 89.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | H | 409 | HOH | 0 | -0.018 | -0.038 | 99.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | H | 410 | HOH | 0 | -0.027 | -0.015 | 88.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | H | 411 | HOH | 0 | -0.010 | -0.010 | 71.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | H | 412 | HOH | 0 | -0.003 | -0.008 | 67.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | H | 413 | HOH | 0 | 0.002 | -0.013 | 33.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | H | 414 | HOH | 0 | 0.006 | -0.002 | 57.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | H | 415 | HOH | 0 | 0.004 | 0.005 | 89.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | H | 416 | HOH | 0 | 0.013 | 0.005 | 38.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | H | 417 | HOH | 0 | 0.022 | 0.003 | 81.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | H | 418 | HOH | 0 | -0.032 | -0.024 | 79.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | H | 419 | HOH | 0 | 0.041 | 0.023 | 82.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | H | 420 | HOH | 0 | 0.022 | 0.012 | 88.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | H | 421 | HOH | 0 | -0.023 | -0.024 | 51.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | H | 422 | HOH | 0 | 0.009 | 0.005 | 43.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | H | 423 | HOH | 0 | -0.057 | -0.040 | 68.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | H | 424 | HOH | 0 | -0.025 | -0.020 | 61.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | H | 425 | HOH | 0 | -0.029 | -0.017 | 84.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | H | 426 | HOH | 0 | 0.004 | -0.001 | 95.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | H | 427 | HOH | 0 | 0.005 | 0.006 | 106.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | H | 428 | HOH | 0 | -0.031 | -0.022 | 80.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | H | 429 | HOH | 0 | -0.030 | -0.031 | 89.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | H | 430 | HOH | 0 | 0.009 | -0.003 | 58.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | H | 431 | HOH | 0 | 0.001 | -0.014 | 49.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | H | 432 | HOH | 0 | -0.024 | -0.025 | 34.051 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | H | 433 | HOH | 0 | -0.038 | -0.038 | 89.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | H | 434 | HOH | 0 | -0.030 | -0.026 | 40.634 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | H | 435 | HOH | 0 | 0.006 | 0.004 | 72.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | H | 436 | HOH | 0 | 0.011 | -0.012 | 49.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | H | 437 | HOH | 0 | 0.005 | -0.001 | 96.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | H | 438 | HOH | 0 | -0.012 | -0.024 | 60.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | H | 439 | HOH | 0 | 0.007 | 0.005 | 85.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | H | 440 | HOH | 0 | -0.011 | -0.019 | 33.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | H | 441 | HOH | 0 | 0.006 | -0.004 | 69.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | H | 442 | HOH | 0 | -0.002 | -0.005 | 79.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | H | 443 | HOH | 0 | -0.002 | -0.003 | 68.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | H | 444 | HOH | 0 | -0.015 | -0.016 | 94.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | H | 445 | HOH | 0 | -0.013 | -0.025 | 63.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | H | 446 | HOH | 0 | -0.003 | -0.009 | 103.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | H | 447 | HOH | 0 | -0.033 | -0.033 | 51.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | H | 448 | HOH | 0 | 0.002 | 0.001 | 31.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | H | 449 | HOH | 0 | -0.009 | -0.012 | 105.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | H | 450 | HOH | 0 | -0.031 | -0.032 | 68.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | H | 451 | HOH | 0 | 0.007 | -0.008 | 57.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | H | 452 | HOH | 0 | -0.011 | -0.014 | 96.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | H | 453 | HOH | 0 | 0.009 | 0.004 | 53.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | H | 454 | HOH | 0 | -0.041 | -0.040 | 98.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | H | 455 | HOH | 0 | -0.011 | -0.007 | 45.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | H | 456 | HOH | 0 | -0.009 | -0.010 | 102.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | H | 457 | HOH | 0 | 0.012 | 0.002 | 60.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | H | 458 | HOH | 0 | -0.001 | -0.004 | 83.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | H | 459 | HOH | 0 | -0.020 | -0.021 | 49.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | H | 460 | HOH | 0 | -0.040 | -0.035 | 69.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | H | 461 | HOH | 0 | 0.019 | 0.012 | 83.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | H | 462 | HOH | 0 | -0.025 | -0.024 | 59.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | H | 463 | HOH | 0 | -0.014 | -0.010 | 80.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | H | 464 | HOH | 0 | -0.017 | -0.010 | 67.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | H | 465 | HOH | 0 | 0.035 | 0.019 | 97.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | H | 466 | HOH | 0 | -0.039 | -0.029 | 39.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | H | 467 | HOH | 0 | 0.004 | -0.002 | 99.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | H | 468 | HOH | 0 | -0.025 | -0.020 | 40.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | H | 469 | HOH | 0 | -0.024 | -0.033 | 31.406 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | H | 470 | HOH | 0 | -0.006 | -0.001 | 70.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | H | 471 | HOH | 0 | -0.028 | -0.013 | 30.631 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | H | 472 | HOH | 0 | 0.025 | 0.017 | 44.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | H | 473 | HOH | 0 | 0.006 | -0.001 | 62.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | H | 474 | HOH | 0 | -0.040 | -0.033 | 51.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | H | 475 | HOH | 0 | -0.031 | -0.026 | 65.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | H | 476 | HOH | 0 | 0.027 | 0.020 | 38.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | H | 477 | HOH | 0 | 0.007 | -0.010 | 46.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | H | 478 | HOH | 0 | 0.005 | 0.003 | 43.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | H | 479 | HOH | 0 | 0.055 | 0.042 | 109.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | H | 480 | HOH | 0 | 0.002 | -0.001 | 87.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | H | 481 | HOH | 0 | 0.002 | -0.002 | 97.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | H | 482 | HOH | 0 | -0.020 | -0.024 | 71.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | H | 483 | HOH | 0 | 0.045 | 0.029 | 75.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | H | 484 | HOH | 0 | 0.009 | 0.004 | 98.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | H | 485 | HOH | 0 | -0.027 | -0.028 | 86.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | H | 486 | HOH | 0 | -0.011 | -0.009 | 70.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | L | 301 | HOH | 0 | -0.047 | -0.048 | 83.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | L | 302 | HOH | 0 | -0.020 | -0.017 | 60.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | L | 303 | HOH | 0 | 0.016 | -0.008 | 80.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | L | 304 | HOH | 0 | -0.049 | -0.038 | 43.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | L | 305 | HOH | 0 | -0.008 | -0.015 | 75.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | L | 306 | HOH | 0 | -0.008 | -0.002 | 47.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | L | 307 | HOH | 0 | -0.007 | -0.019 | 84.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | L | 308 | HOH | 0 | 0.005 | -0.006 | 65.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | L | 309 | HOH | 0 | 0.009 | -0.005 | 54.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | L | 310 | HOH | 0 | 0.016 | -0.002 | 84.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | L | 311 | HOH | 0 | -0.029 | -0.026 | 86.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | L | 312 | HOH | 0 | -0.005 | -0.005 | 72.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | L | 313 | HOH | 0 | -0.017 | -0.033 | 72.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | L | 314 | HOH | 0 | -0.015 | -0.017 | 74.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | L | 315 | HOH | 0 | 0.000 | 0.001 | 73.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | L | 316 | HOH | 0 | -0.030 | -0.041 | 62.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | L | 317 | HOH | 0 | -0.023 | -0.011 | 99.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | L | 318 | HOH | 0 | 0.000 | -0.005 | 89.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | L | 319 | HOH | 0 | -0.067 | -0.054 | 88.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | L | 320 | HOH | 0 | -0.026 | -0.025 | 51.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | L | 321 | HOH | 0 | -0.063 | -0.050 | 77.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | L | 322 | HOH | 0 | -0.017 | -0.009 | 96.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | L | 323 | HOH | 0 | 0.005 | -0.005 | 66.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | L | 324 | HOH | 0 | -0.023 | -0.018 | 92.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | L | 325 | HOH | 0 | -0.021 | -0.013 | 71.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | L | 326 | HOH | 0 | 0.010 | 0.003 | 73.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | L | 327 | HOH | 0 | 0.007 | 0.017 | 80.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | L | 328 | HOH | 0 | 0.006 | -0.006 | 60.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
902 | L | 329 | HOH | 0 | -0.012 | -0.014 | 63.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | L | 330 | HOH | 0 | -0.030 | -0.025 | 82.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | L | 331 | HOH | 0 | -0.001 | -0.017 | 90.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | L | 332 | HOH | 0 | -0.071 | -0.055 | 66.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | L | 333 | HOH | 0 | -0.010 | -0.006 | 70.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
907 | L | 334 | HOH | 0 | -0.020 | -0.024 | 79.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
908 | L | 335 | HOH | 0 | -0.014 | -0.017 | 50.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
909 | L | 336 | HOH | 0 | 0.014 | 0.001 | 46.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | L | 337 | HOH | 0 | -0.015 | -0.016 | 62.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | L | 338 | HOH | 0 | -0.031 | -0.027 | 75.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | L | 339 | HOH | 0 | -0.022 | -0.016 | 84.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | L | 340 | HOH | 0 | -0.004 | -0.009 | 61.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | L | 341 | HOH | 0 | -0.021 | -0.023 | 72.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | L | 342 | HOH | 0 | -0.012 | -0.014 | 67.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | L | 343 | HOH | 0 | 0.009 | -0.003 | 61.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | L | 344 | HOH | 0 | -0.020 | -0.015 | 66.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | L | 345 | HOH | 0 | 0.003 | -0.015 | 85.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | L | 346 | HOH | 0 | -0.013 | -0.023 | 58.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | L | 347 | HOH | 0 | -0.018 | -0.012 | 59.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | L | 348 | HOH | 0 | 0.002 | -0.006 | 71.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | L | 349 | HOH | 0 | -0.004 | -0.013 | 75.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | L | 350 | HOH | 0 | -0.001 | -0.002 | 78.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
924 | L | 351 | HOH | 0 | -0.002 | -0.005 | 69.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
925 | L | 352 | HOH | 0 | -0.013 | -0.022 | 74.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
926 | L | 353 | HOH | 0 | -0.044 | -0.039 | 93.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
927 | L | 354 | HOH | 0 | -0.016 | -0.015 | 88.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
928 | L | 355 | HOH | 0 | -0.004 | -0.018 | 56.042 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
929 | L | 356 | HOH | 0 | 0.020 | 0.009 | 63.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
930 | L | 357 | HOH | 0 | -0.031 | -0.034 | 83.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
931 | L | 358 | HOH | 0 | -0.012 | -0.020 | 73.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
932 | L | 359 | HOH | 0 | 0.008 | -0.008 | 85.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
933 | L | 360 | HOH | 0 | -0.018 | -0.027 | 50.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
934 | L | 361 | HOH | 0 | -0.010 | 0.000 | 67.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
935 | L | 362 | HOH | 0 | -0.003 | 0.004 | 53.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
936 | L | 363 | HOH | 0 | 0.006 | 0.006 | 70.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
937 | L | 364 | HOH | 0 | -0.008 | -0.001 | 56.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
938 | L | 365 | HOH | 0 | -0.011 | -0.017 | 76.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
939 | L | 366 | HOH | 0 | -0.007 | 0.002 | 77.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
940 | L | 367 | HOH | 0 | 0.006 | 0.003 | 54.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
941 | L | 368 | HOH | 0 | -0.019 | -0.016 | 77.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
942 | L | 369 | HOH | 0 | -0.009 | 0.000 | 77.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
943 | L | 370 | HOH | 0 | -0.005 | -0.021 | 89.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
944 | L | 371 | HOH | 0 | 0.003 | -0.006 | 72.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
945 | L | 372 | HOH | 0 | -0.006 | -0.009 | 82.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
946 | L | 373 | HOH | 0 | -0.026 | -0.017 | 79.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
947 | L | 374 | HOH | 0 | -0.036 | -0.042 | 61.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
948 | L | 375 | HOH | 0 | -0.029 | -0.032 | 53.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
949 | L | 376 | HOH | 0 | -0.015 | -0.006 | 77.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
950 | L | 377 | HOH | 0 | -0.031 | -0.029 | 48.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
951 | L | 378 | HOH | 0 | -0.020 | -0.031 | 73.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
952 | L | 379 | HOH | 0 | -0.028 | -0.034 | 89.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
953 | L | 380 | HOH | 0 | -0.038 | -0.036 | 58.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
954 | L | 381 | HOH | 0 | -0.008 | -0.001 | 83.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
955 | L | 382 | HOH | 0 | -0.012 | -0.012 | 49.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
956 | L | 383 | HOH | 0 | -0.002 | 0.002 | 62.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
957 | L | 384 | HOH | 0 | -0.012 | -0.016 | 59.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
958 | L | 385 | HOH | 0 | -0.017 | -0.017 | 73.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
959 | L | 386 | HOH | 0 | -0.010 | -0.013 | 70.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
960 | L | 387 | HOH | 0 | 0.009 | -0.008 | 92.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
961 | L | 388 | HOH | 0 | -0.011 | -0.025 | 87.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
962 | L | 389 | HOH | 0 | 0.001 | -0.010 | 76.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
963 | L | 390 | HOH | 0 | -0.033 | -0.033 | 58.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
964 | L | 391 | HOH | 0 | 0.017 | 0.006 | 93.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
965 | L | 392 | HOH | 0 | -0.023 | -0.020 | 45.363 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
966 | L | 393 | HOH | 0 | -0.017 | -0.021 | 53.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
967 | L | 394 | HOH | 0 | -0.021 | -0.017 | 77.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
968 | L | 395 | HOH | 0 | -0.014 | -0.013 | 74.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
969 | L | 396 | HOH | 0 | -0.003 | -0.006 | 57.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
970 | L | 397 | HOH | 0 | -0.016 | -0.020 | 83.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
971 | L | 398 | HOH | 0 | 0.023 | 0.010 | 95.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
972 | L | 399 | HOH | 0 | 0.032 | 0.010 | 48.788 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
973 | L | 400 | HOH | 0 | -0.003 | -0.011 | 45.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
974 | L | 401 | HOH | 0 | -0.015 | -0.010 | 52.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
975 | L | 402 | HOH | 0 | -0.035 | -0.030 | 81.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
976 | L | 403 | HOH | 0 | 0.036 | 0.014 | 97.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
977 | L | 404 | HOH | 0 | -0.006 | -0.012 | 73.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
978 | L | 405 | HOH | 0 | -0.006 | -0.016 | 93.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
979 | L | 406 | HOH | 0 | 0.012 | -0.003 | 54.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
980 | L | 407 | HOH | 0 | -0.013 | -0.009 | 62.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
981 | L | 408 | HOH | 0 | -0.011 | -0.021 | 65.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
982 | L | 409 | HOH | 0 | -0.017 | -0.012 | 77.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
983 | L | 410 | HOH | 0 | 0.018 | -0.006 | 77.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
984 | L | 411 | HOH | 0 | -0.031 | -0.027 | 97.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
985 | L | 412 | HOH | 0 | -0.026 | -0.023 | 76.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
986 | L | 413 | HOH | 0 | -0.007 | -0.007 | 76.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
987 | L | 414 | HOH | 0 | 0.005 | 0.002 | 65.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
988 | L | 415 | HOH | 0 | -0.037 | -0.041 | 63.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
989 | L | 416 | HOH | 0 | 0.029 | 0.006 | 69.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
990 | L | 417 | HOH | 0 | -0.018 | -0.019 | 71.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
991 | L | 418 | HOH | 0 | -0.039 | -0.030 | 57.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
992 | L | 419 | HOH | 0 | -0.009 | -0.016 | 51.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
993 | L | 420 | HOH | 0 | -0.005 | -0.010 | 74.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
994 | L | 421 | HOH | 0 | -0.004 | -0.003 | 61.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
995 | L | 422 | HOH | 0 | -0.025 | -0.030 | 88.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
996 | L | 423 | HOH | 0 | -0.002 | -0.009 | 71.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
997 | L | 424 | HOH | 0 | -0.016 | -0.015 | 85.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
998 | L | 425 | HOH | 0 | -0.024 | -0.021 | 69.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
999 | L | 426 | HOH | 0 | -0.025 | -0.029 | 48.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1000 | L | 427 | HOH | 0 | 0.021 | 0.014 | 94.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1001 | L | 428 | HOH | 0 | -0.024 | -0.017 | 66.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1002 | L | 429 | HOH | 0 | -0.013 | -0.010 | 59.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1003 | L | 430 | HOH | 0 | -0.009 | -0.013 | 77.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1004 | L | 431 | HOH | 0 | -0.014 | -0.018 | 93.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1005 | L | 432 | HOH | 0 | -0.020 | -0.015 | 98.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1006 | L | 433 | HOH | 0 | -0.018 | -0.017 | 56.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1007 | L | 434 | HOH | 0 | -0.001 | -0.004 | 59.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1008 | L | 435 | HOH | 0 | -0.029 | -0.038 | 84.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1009 | L | 436 | HOH | 0 | -0.006 | -0.005 | 70.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1010 | L | 437 | HOH | 0 | -0.013 | -0.023 | 81.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1011 | L | 438 | HOH | 0 | -0.004 | -0.002 | 83.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1012 | L | 439 | HOH | 0 | 0.001 | -0.008 | 79.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1013 | L | 440 | HOH | 0 | 0.005 | -0.002 | 85.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1014 | L | 441 | HOH | 0 | -0.011 | -0.013 | 61.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1015 | L | 442 | HOH | 0 | 0.016 | 0.009 | 74.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1016 | L | 443 | HOH | 0 | 0.010 | -0.001 | 62.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1017 | L | 444 | HOH | 0 | 0.013 | 0.004 | 49.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1018 | L | 445 | HOH | 0 | 0.003 | -0.016 | 69.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1019 | L | 446 | HOH | 0 | -0.025 | -0.028 | 65.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1020 | L | 447 | HOH | 0 | 0.021 | 0.009 | 78.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1021 | L | 448 | HOH | 0 | -0.028 | -0.026 | 55.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1022 | L | 449 | HOH | 0 | -0.028 | -0.022 | 95.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1023 | L | 450 | HOH | 0 | -0.014 | -0.010 | 70.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1024 | L | 451 | HOH | 0 | -0.018 | -0.031 | 73.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1025 | L | 452 | HOH | 0 | -0.024 | -0.021 | 94.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1026 | L | 453 | HOH | 0 | -0.012 | -0.013 | 59.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1027 | L | 454 | HOH | 0 | 0.002 | -0.007 | 70.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1028 | L | 455 | HOH | 0 | 0.002 | -0.006 | 92.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1029 | L | 456 | HOH | 0 | -0.001 | -0.001 | 53.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1030 | L | 457 | HOH | 0 | -0.002 | -0.006 | 53.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1031 | L | 458 | HOH | 0 | 0.013 | 0.003 | 76.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1032 | L | 459 | HOH | 0 | -0.032 | -0.030 | 55.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1033 | L | 460 | HOH | 0 | -0.017 | -0.020 | 67.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1034 | L | 461 | HOH | 0 | 0.003 | -0.006 | 64.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1035 | L | 462 | HOH | 0 | -0.051 | -0.038 | 84.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1036 | L | 463 | HOH | 0 | -0.025 | -0.030 | 90.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1037 | L | 464 | HOH | 0 | -0.009 | -0.015 | 69.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1038 | L | 465 | HOH | 0 | 0.015 | -0.005 | 73.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1039 | L | 466 | HOH | 0 | -0.002 | -0.001 | 88.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1040 | L | 467 | HOH | 0 | -0.012 | -0.015 | 72.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1041 | L | 468 | HOH | 0 | 0.013 | 0.005 | 78.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1042 | L | 469 | HOH | 0 | 0.017 | 0.009 | 72.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1043 | L | 470 | HOH | 0 | -0.014 | -0.029 | 61.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1044 | L | 471 | HOH | 0 | 0.010 | 0.001 | 96.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1045 | L | 472 | HOH | 0 | 0.001 | -0.007 | 79.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1046 | L | 473 | HOH | 0 | 0.006 | -0.001 | 61.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1047 | L | 474 | HOH | 0 | 0.009 | -0.005 | 86.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1048 | L | 475 | HOH | 0 | -0.026 | -0.025 | 71.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1049 | L | 476 | HOH | 0 | -0.003 | -0.005 | 64.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1050 | L | 477 | HOH | 0 | -0.009 | -0.014 | 69.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1051 | L | 478 | HOH | 0 | -0.003 | -0.007 | 51.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1052 | L | 479 | HOH | 0 | 0.010 | -0.006 | 65.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1053 | L | 480 | HOH | 0 | -0.006 | -0.002 | 88.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1054 | L | 481 | HOH | 0 | -0.002 | -0.004 | 62.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1055 | L | 482 | HOH | 0 | -0.035 | -0.024 | 59.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1056 | L | 483 | HOH | 0 | 0.003 | -0.008 | 67.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1057 | L | 484 | HOH | 0 | 0.032 | 0.017 | 78.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1058 | L | 485 | HOH | 0 | -0.009 | -0.009 | 67.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1059 | L | 486 | HOH | 0 | -0.007 | -0.010 | 97.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1060 | L | 487 | HOH | 0 | 0.017 | 0.007 | 79.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1061 | L | 488 | HOH | 0 | 0.020 | 0.008 | 75.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1062 | L | 489 | HOH | 0 | 0.010 | -0.001 | 83.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1063 | L | 490 | HOH | 0 | -0.010 | -0.008 | 75.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1064 | L | 491 | HOH | 0 | 0.015 | 0.004 | 75.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1065 | L | 492 | HOH | 0 | -0.006 | -0.007 | 52.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1066 | L | 493 | HOH | 0 | -0.076 | -0.055 | 92.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1067 | L | 494 | HOH | 0 | -0.009 | -0.002 | 66.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1068 | L | 495 | HOH | 0 | -0.002 | -0.007 | 54.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1069 | L | 496 | HOH | 0 | -0.009 | -0.012 | 71.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1070 | L | 497 | HOH | 0 | 0.000 | -0.005 | 87.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1071 | L | 498 | HOH | 0 | -0.007 | -0.007 | 77.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1072 | L | 499 | HOH | 0 | -0.021 | -0.010 | 72.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1073 | L | 500 | HOH | 0 | 0.019 | 0.000 | 71.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1074 | L | 501 | HOH | 0 | -0.003 | -0.006 | 69.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1075 | L | 502 | HOH | 0 | -0.006 | -0.005 | 71.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1076 | L | 503 | HOH | 0 | 0.019 | 0.016 | 70.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1077 | L | 504 | HOH | 0 | 0.002 | 0.003 | 75.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1078 | L | 505 | HOH | 0 | -0.005 | -0.004 | 71.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1079 | L | 506 | HOH | 0 | 0.031 | 0.020 | 47.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1080 | L | 507 | HOH | 0 | -0.029 | -0.019 | 62.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1081 | L | 508 | HOH | 0 | -0.018 | -0.020 | 90.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1082 | L | 509 | HOH | 0 | -0.008 | -0.009 | 72.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |