FMODB ID: PKGK3
Calculation Name: 5CJ6-A-Xray15
Preferred Name: Androgen Receptor
Target Type: SINGLE PROTEIN
Ligand Name: 2-chloro-4-{[(1r,2r)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile
ligand 3-letter code: 51Y
PDB ID: 5CJ6
Chain ID: A
ChEMBL ID: CHEMBL1871
UniProt ID: P10275
Base Structure: X-ray
Registration Date: 2018-03-20
Reference:
Modeling method
Optimization | Other |
---|---|
Restraint | Other |
Protonation | Other |
Complement | SWISS Model |
Water | Crystal waters in PDB |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 376 |
LigandCharge | 51Y=0 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4079807.237429 |
---|---|
FMO2-HF: Nuclear repulsion | 3966308.792516 |
FMO2-HF: Total energy | -113498.444913 |
FMO2-MP2: Total energy | -113817.437924 |
3D Structure
Ligand structure
51Y
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-84.432 | -60.174 | 59.715 | -22.332 | -61.642 | 0.025 |
Interactive mode: IFIE and PIEDA for fragment #376(:1047:51Y)
Summations of interaction energy for
fragment #376(:1047:51Y)
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. |
-84.432 | -60.174 | 59.715 | -22.332 | -61.642 | -0.025 |
Interaction energy analysis for fragmet #376(:1047:51Y)
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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 672 | ILE | 0 | 0.056 | 0.003 | 27.414 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
2 | 673 | PHE | 0 | -0.004 | -0.012 | 21.442 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 | |
3 | 674 | LEU | 0 | 0.029 | -0.008 | 21.373 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 | |
4 | 675 | ASN | 0 | 0.078 | 0.055 | 21.917 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 | |
5 | 676 | VAL | 0 | 0.008 | 0.020 | 20.962 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 | |
6 | 677 | LEU | 0 | -0.009 | -0.005 | 17.819 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 | |
7 | 678 | GLU | -1 | -0.872 | -0.899 | 17.220 | 1.457 | 1.457 | 0.000 | 0.000 | 0.000 | 0.000 | |
8 | 679 | ALA | 0 | 0.009 | 0.029 | 17.928 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 | |
9 | 680 | ILE | 0 | -0.047 | -0.018 | 16.252 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 | |
10 | 681 | GLU | -1 | -0.812 | -0.876 | 11.337 | 3.711 | 3.711 | 0.000 | 0.000 | 0.000 | 0.000 | |
11 | 682 | PRO | 0 | -0.050 | -0.018 | 9.524 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 | |
12 | 683 | GLY | 0 | 0.035 | 0.032 | 11.289 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 | |
13 | 684 | VAL | 0 | -0.017 | -0.009 | 9.469 | 0.957 | 0.957 | 0.000 | 0.000 | 0.000 | 0.000 | |
14 | 685 | VAL | 0 | -0.034 | -0.006 | 5.963 | -0.819 | -0.819 | 0.000 | 0.000 | 0.000 | 0.000 | |
15 | 686 | CYS | 0 | -0.040 | -0.022 | 6.801 | 1.357 | 1.357 | 0.000 | 0.000 | 0.000 | 0.000 | |
16 | 687 | ALA | 0 | -0.011 | -0.021 | 6.304 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
17 | 688 | GLY | 0 | -0.009 | -0.001 | 7.396 | -0.764 | -0.764 | 0.000 | 0.000 | 0.000 | 0.000 | |
18 | 689 | HIS | 1 | 0.758 | 0.866 | 9.234 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 | |
19 | 690 | ASP | -1 | -0.814 | -0.922 | 11.047 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 | |
20 | 691 | ASN | 0 | -0.066 | -0.069 | 12.636 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 | |
21 | 692 | ASN | 0 | -0.019 | 0.015 | 15.468 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 | |
22 | 693 | GLN | 0 | 0.013 | 0.037 | 13.735 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 | |
23 | 694 | PRO | 0 | 0.030 | 0.002 | 16.534 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 | |
24 | 695 | ASP | -1 | -0.805 | -0.884 | 12.817 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 | |
25 | 696 | SER | 0 | -0.063 | -0.040 | 13.002 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 | |
26 | 697 | PHE | 0 | -0.021 | -0.034 | 6.552 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
27 | 698 | ALA | 0 | 0.027 | 0.009 | 8.034 | -0.561 | -0.561 | 0.000 | 0.000 | 0.000 | 0.000 | |
28 | 699 | ALA | 0 | 0.037 | 0.029 | 8.911 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 | |
29 | 700 | LEU | 0 | -0.064 | -0.030 | 7.373 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
30 | 701 | LEU | 0 | -0.011 | -0.013 | 2.104 | -0.524 | -0.825 | 2.695 | -0.427 | -1.967 | 0.001 | |
31 | 702 | SER | 0 | 0.074 | 0.044 | 4.370 | -2.710 | -2.539 | -0.001 | -0.012 | -0.159 | 0.000 | |
32 | 703 | SER | 0 | 0.020 | 0.038 | 6.381 | 0.563 | 0.563 | 0.000 | 0.000 | 0.000 | 0.000 | |
33 | 704 | LEU | 0 | -0.039 | -0.014 | 1.979 | -2.694 | 0.023 | 3.692 | -1.573 | -4.836 | 0.007 | |
34 | 705 | ASN | 0 | 0.014 | 0.008 | 1.656 | -27.106 | -29.986 | 21.408 | -9.785 | -8.742 | -0.070 | |
35 | 706 | GLU | -1 | -0.768 | -0.843 | 3.073 | 1.647 | 1.191 | 0.078 | 0.846 | -0.469 | 0.000 | |
36 | 707 | LEU | 0 | -0.040 | -0.020 | 2.712 | -1.862 | 0.409 | 1.744 | -0.779 | -3.236 | 0.008 | |
37 | 708 | GLY | 0 | 0.015 | -0.011 | 2.854 | -0.093 | 1.813 | 0.550 | -0.876 | -1.579 | -0.004 | |
38 | 709 | GLU | -1 | -0.733 | -0.830 | 3.282 | 0.887 | 0.884 | 0.083 | 0.295 | -0.375 | 0.000 | |
39 | 710 | ARG | 1 | 0.808 | 0.885 | 6.499 | -0.548 | -0.548 | 0.000 | 0.000 | 0.000 | 0.000 | |
40 | 711 | GLN | 0 | 0.059 | 0.008 | 2.577 | -6.650 | -5.510 | 2.099 | -0.891 | -2.349 | 0.012 | |
41 | 712 | LEU | 0 | -0.003 | 0.018 | 6.043 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 | |
42 | 713 | VAL | 0 | 0.016 | 0.008 | 8.737 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 | |
43 | 714 | HIS | 1 | 0.863 | 0.925 | 8.470 | -3.691 | -3.691 | 0.000 | 0.000 | 0.000 | 0.000 | |
44 | 715 | VAL | 0 | 0.015 | 0.015 | 8.046 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 | |
45 | 716 | VAL | 0 | 0.017 | 0.009 | 10.696 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 | |
46 | 717 | LYS | 1 | 0.890 | 0.937 | 13.777 | -1.731 | -1.731 | 0.000 | 0.000 | 0.000 | 0.000 | |
47 | 718 | TRP | 0 | 0.019 | 0.024 | 12.592 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 | |
48 | 719 | ALA | 0 | 0.045 | 0.013 | 14.399 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 | |
49 | 720 | LYS | 1 | 0.954 | 0.968 | 16.147 | -0.752 | -0.752 | 0.000 | 0.000 | 0.000 | 0.000 | |
50 | 721 | ALA | 0 | 0.003 | 0.060 | 18.211 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 | |
51 | 722 | LEU | 0 | -0.002 | 0.022 | 16.373 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
52 | 723 | PRO | 0 | -0.007 | -0.001 | 20.088 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 | |
53 | 724 | GLY | 0 | 0.070 | 0.028 | 23.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
54 | 725 | PHE | 0 | 0.013 | 0.013 | 18.325 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 | |
55 | 726 | ARG | 1 | 0.967 | 0.971 | 22.792 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 | |
56 | 727 | ASN | 0 | 0.024 | 0.024 | 25.070 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 | |
57 | 728 | LEU | 0 | -0.014 | 0.022 | 21.696 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 | |
58 | 729 | HIS | 1 | 0.936 | 0.975 | 24.715 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
59 | 730 | VAL | 0 | 0.064 | 0.015 | 22.610 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
60 | 731 | ASP | -1 | -0.795 | -0.906 | 21.263 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 | |
61 | 732 | ASP | -1 | -0.736 | -0.864 | 19.910 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
62 | 733 | GLN | 0 | -0.088 | -0.033 | 19.284 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 | |
63 | 734 | MET | 0 | 0.019 | 0.002 | 16.708 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 | |
64 | 735 | ALA | 0 | 0.003 | 0.014 | 15.085 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
65 | 736 | VAL | 0 | -0.001 | -0.002 | 14.688 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
66 | 737 | ILE | 0 | -0.006 | 0.003 | 12.203 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 | |
67 | 738 | GLN | 0 | 0.001 | -0.005 | 10.509 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 | |
68 | 739 | TYR | 0 | 0.002 | -0.003 | 9.785 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 | |
69 | 740 | SER | 0 | 0.016 | 0.006 | 10.687 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 | |
70 | 741 | TRP | 0 | 0.005 | 0.015 | 2.892 | -0.958 | 0.092 | 0.163 | -0.271 | -0.942 | -0.002 | |
71 | 742 | MET | 0 | 0.026 | 0.025 | 2.034 | -0.526 | 0.135 | 2.933 | -0.724 | -2.871 | -0.003 | |
72 | 743 | GLY | 0 | 0.027 | 0.004 | 5.133 | 0.929 | 1.012 | -0.001 | -0.003 | -0.079 | 0.000 | |
73 | 744 | LEU | 0 | -0.039 | -0.022 | 7.470 | 0.674 | 0.674 | 0.000 | 0.000 | 0.000 | 0.000 | |
74 | 745 | MET | 0 | -0.029 | 0.004 | 2.288 | -2.730 | 0.233 | 4.822 | -1.135 | -6.651 | 0.005 | |
75 | 746 | VAL | 0 | 0.021 | 0.010 | 2.800 | 0.709 | 2.621 | 0.800 | -0.694 | -2.018 | -0.005 | |
76 | 747 | PHE | 0 | 0.003 | -0.003 | 4.227 | 0.095 | 0.160 | 0.006 | 0.128 | -0.198 | 0.000 | |
77 | 748 | ALA | 0 | 0.005 | 0.001 | 6.200 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 | |
78 | 749 | MET | 0 | -0.046 | 0.000 | 3.137 | -3.117 | -1.718 | 1.199 | -0.476 | -2.122 | 0.003 | |
79 | 750 | GLY | 0 | 0.028 | 0.000 | 5.133 | -1.443 | -1.402 | 0.000 | -0.013 | -0.028 | 0.000 | |
80 | 751 | TRP | 0 | 0.044 | 0.022 | 7.741 | -0.682 | -0.682 | 0.000 | 0.000 | 0.000 | 0.000 | |
81 | 752 | ARG | 1 | 0.842 | 0.933 | 2.718 | -20.487 | -19.710 | 0.867 | -0.467 | -1.177 | 0.007 | |
82 | 753 | SER | 0 | -0.006 | -0.009 | 7.493 | -0.732 | -0.732 | 0.000 | 0.000 | 0.000 | 0.000 | |
83 | 754 | PHE | 0 | -0.020 | 0.013 | 10.156 | -0.602 | -0.602 | 0.000 | 0.000 | 0.000 | 0.000 | |
84 | 755 | THR | 0 | 0.049 | 0.016 | 12.899 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 | |
85 | 756 | ASN | 0 | -0.046 | -0.006 | 10.498 | -0.580 | -0.580 | 0.000 | 0.000 | 0.000 | 0.000 | |
86 | 757 | VAL | 0 | -0.035 | -0.020 | 12.318 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 | |
87 | 758 | ASN | 0 | 0.008 | 0.010 | 15.097 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 | |
88 | 759 | SER | 0 | 0.012 | -0.009 | 12.293 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 | |
89 | 760 | ARG | 1 | 0.920 | 0.973 | 13.360 | -1.467 | -1.467 | 0.000 | 0.000 | 0.000 | 0.000 | |
90 | 761 | MET | 0 | -0.048 | -0.028 | 12.328 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 | |
91 | 762 | LEU | 0 | -0.010 | 0.005 | 5.927 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 | |
92 | 763 | TYR | 0 | 0.041 | 0.014 | 7.718 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 | |
93 | 764 | PHE | 0 | 0.023 | -0.006 | 2.681 | -2.982 | 0.411 | 2.618 | -0.908 | -5.103 | 0.005 | |
94 | 765 | ALA | 0 | 0.063 | 0.035 | 3.791 | 4.479 | 5.150 | 0.040 | -0.205 | -0.506 | 0.000 | |
95 | 766 | PRO | 0 | -0.002 | -0.002 | 6.443 | -1.088 | -1.088 | 0.000 | 0.000 | 0.000 | 0.000 | |
96 | 767 | ASP | -1 | -0.714 | -0.800 | 9.318 | 2.258 | 2.258 | 0.000 | 0.000 | 0.000 | 0.000 | |
97 | 768 | LEU | 0 | -0.019 | -0.010 | 5.434 | -0.766 | -0.766 | 0.000 | 0.000 | 0.000 | 0.000 | |
98 | 769 | VAL | 0 | 0.027 | 0.023 | 7.876 | 0.975 | 0.975 | 0.000 | 0.000 | 0.000 | 0.000 | |
99 | 770 | PHE | 0 | 0.004 | -0.014 | 6.167 | -0.696 | -0.696 | 0.000 | 0.000 | 0.000 | 0.000 | |
100 | 771 | ASN | 0 | 0.091 | 0.038 | 10.649 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 | |
101 | 772 | GLU | -1 | -0.771 | -0.895 | 12.533 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 | |
102 | 773 | TYR | 0 | 0.000 | 0.005 | 13.682 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 | |
103 | 774 | ARG | 1 | 0.848 | 0.894 | 9.850 | -0.716 | -0.716 | 0.000 | 0.000 | 0.000 | 0.000 | |
104 | 775 | MET | 0 | -0.037 | 0.000 | 8.919 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 | |
105 | 776 | HIS | 1 | 0.935 | 0.977 | 9.524 | 0.537 | 0.537 | 0.000 | 0.000 | 0.000 | 0.000 | |
106 | 777 | LYS | 1 | 0.917 | 0.971 | 11.317 | 0.832 | 0.832 | 0.000 | 0.000 | 0.000 | 0.000 | |
107 | 778 | SER | 0 | 0.059 | 0.031 | 5.553 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 | |
108 | 779 | ARG | 1 | 0.881 | 0.940 | 6.646 | 1.683 | 1.683 | 0.000 | 0.000 | 0.000 | 0.000 | |
109 | 780 | MET | 0 | 0.041 | 0.026 | 2.939 | -1.825 | -0.841 | 1.474 | -0.464 | -1.994 | 0.002 | |
110 | 781 | TYR | 0 | -0.061 | -0.048 | 7.145 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 | |
111 | 782 | SER | 0 | 0.027 | 0.000 | 10.377 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 | |
112 | 783 | GLN | 0 | 0.056 | 0.032 | 6.147 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 | |
113 | 784 | CYS | 0 | -0.021 | -0.010 | 6.585 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 | |
114 | 785 | VAL | 0 | 0.016 | 0.018 | 7.470 | 0.596 | 0.596 | 0.000 | 0.000 | 0.000 | 0.000 | |
115 | 786 | ARG | 1 | 0.836 | 0.929 | 9.216 | 0.887 | 0.887 | 0.000 | 0.000 | 0.000 | 0.000 | |
116 | 787 | MET | 0 | 0.023 | 0.028 | 3.081 | -0.324 | 0.562 | 0.225 | -0.199 | -0.912 | 0.001 | |
117 | 788 | ARG | 1 | 0.945 | 0.989 | 7.558 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 | |
118 | 789 | HIS | 1 | 0.862 | 0.910 | 10.457 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 | |
119 | 790 | LEU | 0 | 0.029 | 0.026 | 7.740 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
120 | 791 | SER | 0 | 0.024 | -0.007 | 9.412 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 | |
121 | 792 | GLN | 0 | -0.034 | -0.015 | 11.103 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 | |
122 | 793 | GLU | -1 | -0.880 | -0.935 | 14.321 | 0.661 | 0.661 | 0.000 | 0.000 | 0.000 | 0.000 | |
123 | 794 | PHE | 0 | -0.038 | -0.004 | 10.038 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 | |
124 | 795 | GLY | 0 | 0.020 | 0.021 | 15.551 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 | |
125 | 796 | TRP | 0 | -0.061 | -0.035 | 17.214 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 | |
126 | 797 | LEU | 0 | -0.032 | -0.015 | 17.890 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 | |
127 | 798 | GLN | 0 | -0.013 | -0.004 | 20.144 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
128 | 799 | ILE | 0 | -0.069 | -0.018 | 16.193 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
129 | 800 | THR | 0 | 0.052 | 0.023 | 18.679 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 | |
130 | 801 | PRO | 0 | 0.051 | 0.013 | 17.398 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 | |
131 | 802 | GLN | 0 | 0.046 | 0.020 | 17.801 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 | |
132 | 803 | GLU | -1 | -0.689 | -0.810 | 19.264 | 0.970 | 0.970 | 0.000 | 0.000 | 0.000 | 0.000 | |
133 | 804 | PHE | 0 | -0.004 | -0.002 | 10.403 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
134 | 805 | LEU | 0 | 0.017 | 0.015 | 14.434 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 | |
135 | 806 | CYS | 0 | 0.004 | 0.011 | 16.384 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
136 | 807 | MET | 0 | -0.040 | -0.002 | 15.118 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 | |
137 | 808 | LYS | 1 | 0.827 | 0.911 | 9.968 | -3.361 | -3.361 | 0.000 | 0.000 | 0.000 | 0.000 | |
138 | 809 | ALA | 0 | 0.012 | -0.002 | 13.422 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
139 | 810 | LEU | 0 | -0.011 | -0.010 | 16.171 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 | |
140 | 811 | LEU | 0 | 0.011 | 0.014 | 10.292 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 | |
141 | 812 | LEU | 0 | 0.000 | 0.036 | 14.198 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 | |
142 | 813 | PHE | 0 | -0.027 | -0.007 | 15.013 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 | |
143 | 814 | SER | 0 | -0.015 | -0.032 | 15.313 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 | |
144 | 815 | ILE | 0 | -0.053 | -0.016 | 12.701 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 | |
145 | 816 | ILE | 0 | 0.022 | 0.023 | 16.400 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 | |
146 | 817 | PRO | 0 | 0.033 | 0.006 | 18.973 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 | |
147 | 818 | VAL | 0 | -0.026 | -0.009 | 20.380 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 | |
148 | 819 | ASP | -1 | -0.863 | -0.907 | 23.023 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 | |
149 | 820 | GLY | 0 | -0.022 | -0.006 | 24.014 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
150 | 821 | LEU | 0 | -0.059 | -0.036 | 20.035 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
151 | 822 | LYS | 1 | 0.880 | 0.909 | 23.849 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 | |
152 | 823 | ASN | 0 | -0.078 | -0.027 | 25.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
153 | 824 | GLN | 0 | 0.060 | 0.035 | 24.009 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
154 | 825 | LYS | 1 | 1.024 | 1.016 | 27.286 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
155 | 826 | PHE | 0 | 0.042 | 0.037 | 28.205 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
156 | 827 | PHE | 0 | 0.020 | 0.011 | 20.183 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 | |
157 | 828 | ASP | -1 | -0.842 | -0.915 | 25.253 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 | |
158 | 829 | GLU | -1 | -0.895 | -0.937 | 27.062 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 | |
159 | 830 | LEU | 0 | -0.003 | 0.013 | 23.136 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
160 | 831 | ARG | 1 | 0.900 | 0.932 | 19.360 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 | |
161 | 832 | MET | 0 | -0.010 | 0.001 | 23.688 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
162 | 833 | ASN | 0 | -0.010 | -0.018 | 26.481 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
163 | 834 | TYR | 0 | 0.050 | 0.012 | 20.233 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
164 | 835 | ILE | 0 | -0.023 | -0.007 | 22.871 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 | |
165 | 836 | LYS | 1 | 0.934 | 0.957 | 24.086 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 | |
166 | 837 | GLU | -1 | -0.802 | -0.842 | 23.748 | 0.693 | 0.693 | 0.000 | 0.000 | 0.000 | 0.000 | |
167 | 838 | LEU | 0 | 0.009 | 0.002 | 20.250 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
168 | 839 | ASP | -1 | -0.906 | -0.955 | 23.335 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 | |
169 | 840 | ARG | 1 | 0.925 | 0.960 | 26.750 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 | |
170 | 841 | ILE | 0 | -0.024 | -0.010 | 22.278 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
171 | 842 | ILE | 0 | -0.070 | -0.026 | 23.060 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
172 | 843 | ALA | 0 | 0.038 | -0.001 | 26.543 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
173 | 844 | CYS | 0 | -0.021 | 0.017 | 28.256 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 | |
174 | 845 | LYS | 1 | 0.892 | 0.917 | 26.476 | -0.718 | -0.718 | 0.000 | 0.000 | 0.000 | 0.000 | |
175 | 846 | ARG | 1 | 0.821 | 0.917 | 24.166 | -0.766 | -0.766 | 0.000 | 0.000 | 0.000 | 0.000 | |
176 | 847 | LYS | 1 | 0.987 | 0.998 | 31.584 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 | |
177 | 848 | ASN | 0 | -0.019 | -0.042 | 34.027 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
178 | 849 | PRO | 0 | 0.071 | 0.043 | 33.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
179 | 850 | THR | 0 | 0.048 | 0.021 | 33.333 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
180 | 851 | SER | 0 | 0.014 | 0.009 | 31.446 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
181 | 852 | CYS | 0 | 0.009 | 0.026 | 29.268 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
182 | 853 | SER | 0 | 0.037 | 0.028 | 28.323 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
183 | 854 | ARG | 1 | 0.981 | 0.993 | 27.078 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 | |
184 | 855 | ARG | 1 | 0.761 | 0.862 | 21.769 | -0.857 | -0.857 | 0.000 | 0.000 | 0.000 | 0.000 | |
185 | 856 | PHE | 0 | 0.079 | 0.033 | 23.741 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 | |
186 | 857 | TYR | 0 | 0.010 | 0.008 | 23.476 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
187 | 858 | GLN | 0 | 0.023 | -0.003 | 21.927 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
188 | 859 | LEU | 0 | 0.036 | 0.024 | 19.124 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
189 | 860 | THR | 0 | 0.009 | 0.019 | 18.459 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
190 | 861 | LYS | 1 | 0.877 | 0.963 | 18.825 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 | |
191 | 862 | LEU | 0 | 0.029 | 0.033 | 14.026 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
192 | 863 | LEU | 0 | 0.007 | 0.007 | 14.216 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
193 | 864 | ASP | -1 | -0.773 | -0.873 | 14.079 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 | |
194 | 865 | SER | 0 | -0.031 | -0.025 | 13.697 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 | |
195 | 866 | VAL | 0 | 0.064 | 0.044 | 8.495 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 | |
196 | 867 | GLN | 0 | -0.013 | 0.007 | 9.503 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 | |
197 | 868 | PRO | 0 | -0.009 | 0.007 | 10.902 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 | |
198 | 869 | ILE | 0 | 0.031 | 0.022 | 6.125 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 | |
199 | 870 | ALA | 0 | 0.029 | 0.010 | 6.223 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 | |
200 | 871 | ARG | 1 | 0.884 | 0.953 | 7.236 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 | |
201 | 872 | GLU | -1 | -0.823 | -0.914 | 8.584 | -1.816 | -1.816 | 0.000 | 0.000 | 0.000 | 0.000 | |
202 | 873 | LEU | 0 | 0.011 | -0.004 | 2.286 | -1.941 | -0.809 | 1.679 | -0.417 | -2.393 | 0.000 | |
203 | 874 | HIS | 0 | -0.001 | 0.021 | 4.910 | -2.165 | -1.968 | -0.001 | -0.008 | -0.189 | 0.000 | |
204 | 875 | GLN | 0 | 0.029 | 0.059 | 6.759 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
205 | 876 | PHE | 0 | 0.002 | 0.003 | 2.394 | -1.177 | -0.139 | 0.995 | -0.289 | -1.744 | 0.002 | |
206 | 877 | THR | 0 | -0.003 | -0.036 | 2.288 | -4.465 | -3.674 | 4.190 | -1.254 | -3.727 | -0.008 | |
207 | 878 | PHE | 0 | 0.021 | 0.019 | 3.779 | 0.236 | 0.440 | 0.007 | 0.013 | -0.223 | 0.000 | |
208 | 879 | ASP | -1 | -0.860 | -0.930 | 7.241 | -2.772 | -2.772 | 0.000 | 0.000 | 0.000 | 0.000 | |
209 | 880 | LEU | 0 | -0.035 | -0.025 | 2.974 | 0.014 | 0.593 | 0.123 | -0.120 | -0.581 | 0.000 | |
210 | 881 | LEU | 0 | 0.020 | 0.010 | 6.373 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 | |
211 | 882 | ILE | 0 | -0.016 | 0.006 | 7.449 | 0.649 | 0.649 | 0.000 | 0.000 | 0.000 | 0.000 | |
212 | 883 | LYS | 1 | 0.921 | 0.958 | 9.405 | 3.351 | 3.351 | 0.000 | 0.000 | 0.000 | 0.000 | |
213 | 884 | SER | 0 | 0.014 | 0.020 | 8.066 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 | |
214 | 885 | HIS | 1 | 0.942 | 0.963 | 9.869 | 2.300 | 2.300 | 0.000 | 0.000 | 0.000 | 0.000 | |
215 | 886 | MET | 0 | -0.030 | -0.014 | 13.230 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 | |
216 | 887 | VAL | 0 | -0.064 | -0.025 | 9.019 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 | |
217 | 888 | SER | 0 | -0.006 | -0.003 | 11.167 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
218 | 889 | VAL | 0 | -0.053 | -0.019 | 5.347 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 | |
219 | 890 | ASP | -1 | -0.848 | -0.926 | 8.501 | -2.775 | -2.775 | 0.000 | 0.000 | 0.000 | 0.000 | |
220 | 891 | PHE | 0 | -0.069 | -0.046 | 2.925 | -2.828 | -2.118 | 0.073 | -0.165 | -0.618 | 0.000 | |
221 | 892 | PRO | 0 | 0.065 | 0.046 | 5.810 | 0.506 | 0.506 | 0.000 | 0.000 | 0.000 | 0.000 | |
222 | 893 | GLU | -1 | -0.868 | -0.946 | 8.890 | -2.132 | -2.132 | 0.000 | 0.000 | 0.000 | 0.000 | |
223 | 894 | MET | 0 | -0.008 | 0.012 | 10.216 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
224 | 895 | MET | 0 | -0.052 | -0.009 | 2.102 | -2.024 | -2.848 | 4.998 | -1.065 | -3.109 | 0.015 | |
225 | 896 | ALA | 0 | 0.014 | 0.009 | 7.130 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 | |
226 | 897 | GLU | -1 | -0.807 | -0.844 | 8.933 | -0.811 | -0.811 | 0.000 | 0.000 | 0.000 | 0.000 | |
227 | 898 | ILE | 0 | 0.011 | 0.000 | 7.580 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 | |
228 | 899 | ILE | 0 | -0.045 | -0.038 | 3.756 | -0.351 | -0.091 | 0.002 | -0.038 | -0.224 | 0.000 | |
229 | 900 | SER | 0 | -0.013 | -0.017 | 7.766 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 | |
230 | 901 | VAL | 0 | -0.009 | 0.011 | 11.403 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 | |
231 | 902 | GLN | 0 | 0.049 | 0.022 | 10.635 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 | |
232 | 903 | VAL | 0 | -0.013 | 0.006 | 6.638 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 | |
233 | 904 | PRO | 0 | 0.033 | 0.016 | 10.118 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 | |
234 | 905 | LYS | 1 | 0.814 | 0.908 | 13.003 | 0.955 | 0.955 | 0.000 | 0.000 | 0.000 | 0.000 | |
235 | 906 | ILE | 0 | 0.003 | 0.013 | 10.401 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 | |
236 | 907 | LEU | 0 | -0.038 | -0.010 | 9.502 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 | |
237 | 908 | SER | 0 | -0.031 | -0.024 | 13.857 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 | |
238 | 909 | GLY | 0 | -0.028 | -0.009 | 16.844 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 | |
239 | 910 | LYS | 1 | 0.977 | 0.989 | 18.302 | 0.848 | 0.848 | 0.000 | 0.000 | 0.000 | 0.000 | |
240 | 911 | VAL | 0 | 0.032 | 0.032 | 15.123 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 | |
241 | 912 | LYS | 1 | 0.901 | 0.981 | 16.410 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 | |
242 | 913 | PRO | 0 | 0.009 | 0.001 | 14.232 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 | |
243 | 914 | ILE | 0 | -0.011 | 0.012 | 16.643 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
244 | 915 | TYR | 0 | -0.030 | -0.016 | 15.923 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 | |
245 | 916 | PHE | 0 | -0.004 | -0.016 | 19.443 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
246 | 917 | HIS | 1 | 0.824 | 0.912 | 21.244 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 | |
247 | 918 | WAT | 0 | -0.080 | -0.089 | 21.973 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
248 | 919 | WAT | 0 | -0.038 | -0.063 | 11.344 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
249 | 920 | WAT | 0 | -0.072 | -0.073 | 12.186 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
250 | 921 | WAT | 0 | -0.079 | -0.069 | 24.184 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
251 | 922 | WAT | 0 | 0.015 | 0.008 | 26.925 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
252 | 923 | WAT | 0 | -0.018 | -0.024 | 18.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
253 | 924 | WAT | 0 | -0.023 | -0.044 | 12.576 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 | |
254 | 925 | WAT | 0 | -0.075 | -0.078 | 15.844 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
255 | 926 | WAT | 0 | 0.005 | -0.014 | 12.993 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
256 | 927 | WAT | 0 | -0.080 | -0.068 | 25.399 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
257 | 928 | WAT | 0 | 0.070 | 0.069 | 16.499 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 | |
258 | 929 | WAT | 0 | -0.032 | -0.037 | 30.997 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
259 | 930 | WAT | 0 | 0.010 | 0.041 | 21.953 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
260 | 931 | WAT | 0 | -0.029 | -0.031 | 27.997 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 | |
261 | 932 | WAT | 0 | -0.046 | -0.044 | 18.047 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 | |
262 | 933 | WAT | 0 | -0.004 | -0.010 | 7.375 | 0.732 | 0.732 | 0.000 | 0.000 | 0.000 | 0.000 | |
263 | 934 | WAT | 0 | 0.000 | -0.018 | 17.682 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
264 | 935 | WAT | 0 | -0.012 | -0.021 | 11.436 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 | |
265 | 936 | WAT | 0 | -0.072 | -0.059 | 10.357 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
266 | 937 | WAT | 0 | -0.041 | -0.040 | 16.380 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
267 | 938 | WAT | 0 | -0.062 | -0.067 | 12.961 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
268 | 939 | WAT | 0 | -0.001 | 0.000 | 25.974 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
269 | 940 | WAT | 0 | -0.031 | -0.029 | 11.857 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 | |
270 | 941 | WAT | 0 | -0.036 | -0.034 | 21.985 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
271 | 942 | WAT | 0 | -0.005 | -0.021 | 14.469 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
272 | 943 | WAT | 0 | -0.026 | -0.019 | 7.355 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 | |
273 | 944 | WAT | 0 | -0.036 | -0.037 | 12.637 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
274 | 945 | WAT | 0 | 0.004 | -0.005 | 13.557 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 | |
275 | 946 | WAT | 0 | 0.034 | 0.028 | 12.502 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 | |
276 | 947 | WAT | 0 | -0.037 | -0.033 | 24.745 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
277 | 948 | WAT | 0 | -0.009 | -0.005 | 13.943 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
278 | 949 | WAT | 0 | -0.020 | -0.024 | 22.477 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 | |
279 | 950 | WAT | 0 | -0.038 | -0.061 | 4.762 | 1.919 | 1.973 | 0.000 | -0.003 | -0.051 | 0.000 | |
280 | 951 | WAT | 0 | 0.027 | 0.024 | 12.226 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
281 | 952 | WAT | 0 | -0.018 | -0.018 | 16.951 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
282 | 953 | WAT | 0 | 0.031 | 0.026 | 13.466 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 | |
283 | 954 | WAT | 0 | -0.028 | -0.025 | 8.142 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 | |
284 | 955 | WAT | 0 | 0.029 | 0.018 | 14.303 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
285 | 956 | WAT | 0 | -0.009 | -0.018 | 6.471 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 | |
286 | 957 | WAT | 0 | -0.009 | -0.019 | 19.348 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
287 | 958 | WAT | 0 | -0.057 | -0.040 | 15.490 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 | |
288 | 959 | WAT | 0 | 0.003 | -0.002 | 12.475 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 | |
289 | 960 | WAT | 0 | 0.021 | 0.034 | 6.961 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 | |
290 | 961 | WAT | 0 | -0.036 | -0.029 | 26.331 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
291 | 962 | WAT | 0 | 0.044 | 0.035 | 14.310 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 | |
292 | 963 | WAT | 0 | 0.001 | 0.023 | 11.325 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 | |
293 | 964 | WAT | 0 | -0.053 | -0.041 | 19.190 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
294 | 965 | WAT | 0 | -0.029 | -0.025 | 11.147 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
295 | 966 | WAT | 0 | -0.029 | -0.034 | 25.051 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
296 | 967 | WAT | 0 | 0.035 | 0.019 | 10.190 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 | |
297 | 968 | WAT | 0 | -0.016 | -0.016 | 9.949 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 | |
298 | 969 | WAT | 0 | -0.028 | -0.024 | 10.502 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 | |
299 | 970 | WAT | 0 | -0.028 | -0.020 | 19.550 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
300 | 971 | WAT | 0 | -0.011 | -0.002 | 10.549 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
301 | 972 | WAT | 0 | -0.036 | -0.027 | 29.887 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
302 | 973 | WAT | 0 | -0.012 | -0.011 | 3.512 | 2.621 | 3.288 | 0.155 | -0.353 | -0.470 | -0.001 | |
303 | 974 | WAT | 0 | -0.025 | -0.018 | 17.445 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
304 | 975 | WAT | 0 | -0.033 | -0.031 | 14.816 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 | |
305 | 976 | WAT | 0 | -0.022 | -0.037 | 20.516 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
306 | 977 | WAT | 0 | 0.032 | 0.021 | 13.175 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
307 | 978 | WAT | 0 | -0.022 | -0.020 | 12.049 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
308 | 979 | WAT | 0 | -0.023 | -0.040 | 9.213 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 | |
309 | 980 | WAT | 0 | -0.034 | -0.019 | 20.597 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
310 | 981 | WAT | 0 | -0.018 | -0.046 | 10.913 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 | |
311 | 982 | WAT | 0 | 0.026 | 0.022 | 13.943 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 | |
312 | 983 | WAT | 0 | -0.035 | -0.017 | 23.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
313 | 984 | WAT | 0 | 0.013 | 0.005 | 19.024 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
314 | 985 | WAT | 0 | -0.023 | -0.014 | 7.864 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 | |
315 | 986 | WAT | 0 | -0.001 | -0.009 | 17.843 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
316 | 987 | WAT | 0 | 0.002 | -0.003 | 28.574 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
317 | 988 | WAT | 0 | -0.036 | -0.019 | 14.394 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
318 | 989 | WAT | 0 | 0.037 | 0.023 | 21.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
319 | 990 | WAT | 0 | 0.063 | 0.031 | 12.346 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 | |
320 | 991 | WAT | 0 | 0.014 | 0.016 | 27.096 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
321 | 992 | WAT | 0 | 0.008 | 0.003 | 11.162 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 | |
322 | 993 | WAT | 0 | -0.054 | -0.032 | 28.448 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
323 | 994 | WAT | 0 | 0.026 | 0.017 | 26.597 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
324 | 995 | WAT | 0 | 0.037 | 0.021 | 10.567 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 | |
325 | 996 | WAT | 0 | -0.041 | -0.056 | 17.708 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
326 | 997 | WAT | 0 | -0.035 | -0.017 | 17.100 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 | |
327 | 998 | WAT | 0 | 0.005 | 0.008 | 28.891 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
328 | 999 | WAT | 0 | 0.037 | 0.018 | 17.231 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
329 | 1000 | WAT | 0 | -0.012 | -0.016 | 27.643 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
330 | 1001 | WAT | 0 | -0.013 | -0.012 | 13.021 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 | |
331 | 1002 | WAT | 0 | 0.045 | 0.020 | 12.376 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
332 | 1003 | WAT | 0 | -0.012 | -0.007 | 10.741 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
333 | 1004 | WAT | 0 | -0.020 | -0.009 | 14.785 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
334 | 1005 | WAT | 0 | 0.012 | 0.027 | 5.827 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 | |
335 | 1006 | WAT | 0 | 0.048 | 0.031 | 11.376 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
336 | 1007 | WAT | 0 | 0.008 | 0.015 | 16.225 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 | |
337 | 1008 | WAT | 0 | 0.000 | -0.005 | 11.162 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
338 | 1009 | WAT | 0 | 0.012 | 0.005 | 17.626 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
339 | 1010 | WAT | 0 | -0.004 | 0.000 | 26.332 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 | |
340 | 1011 | WAT | 0 | -0.004 | 0.001 | 11.936 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 | |
341 | 1012 | WAT | 0 | 0.009 | 0.003 | 18.959 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
342 | 1013 | WAT | 0 | 0.020 | 0.009 | 5.419 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 | |
343 | 1014 | WAT | 0 | 0.017 | 0.007 | 16.452 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
344 | 1015 | WAT | 0 | 0.005 | 0.001 | 26.498 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
345 | 1016 | WAT | 0 | 0.015 | 0.005 | 29.366 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
346 | 1017 | WAT | 0 | 0.061 | 0.056 | 21.846 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
347 | 1018 | WAT | 0 | 0.001 | 0.000 | 27.299 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
348 | 1019 | WAT | 0 | -0.006 | -0.003 | 20.453 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
349 | 1020 | WAT | 0 | 0.021 | 0.008 | 8.371 | 0.596 | 0.596 | 0.000 | 0.000 | 0.000 | 0.000 | |
350 | 1021 | WAT | 0 | -0.101 | -0.104 | 21.381 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
351 | 1022 | WAT | 0 | -0.003 | -0.001 | 15.220 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 | |
352 | 1023 | WAT | 0 | 0.005 | 0.001 | 23.069 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
353 | 1024 | WAT | 0 | -0.016 | -0.005 | 30.111 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
354 | 1025 | WAT | 0 | 0.056 | 0.064 | 18.746 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
355 | 1026 | WAT | 0 | 0.011 | 0.003 | 33.235 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
356 | 1027 | WAT | 0 | -0.027 | -0.017 | 8.829 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 | |
357 | 1028 | WAT | 0 | 0.000 | -0.008 | 16.942 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
358 | 1029 | WAT | 0 | -0.039 | -0.042 | 7.264 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 | |
359 | 1030 | WAT | 0 | -0.032 | -0.029 | 17.946 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
360 | 1031 | WAT | 0 | -0.015 | -0.005 | 25.685 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
361 | 1032 | WAT | 0 | -0.002 | -0.001 | 20.274 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
362 | 1033 | WAT | 0 | 0.038 | 0.028 | 20.197 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
363 | 1034 | WAT | 0 | 0.002 | -0.005 | 21.302 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
364 | 1035 | WAT | 0 | 0.047 | 0.018 | 9.010 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 | |
365 | 1036 | WAT | 0 | 0.012 | 0.003 | 13.057 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 | |
366 | 1037 | WAT | 0 | -0.009 | -0.006 | 12.928 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
367 | 1038 | WAT | 0 | 0.033 | 0.014 | 14.744 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 | |
368 | 1039 | WAT | 0 | 0.015 | 0.004 | 13.966 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 | |
369 | 1040 | WAT | 0 | 0.023 | 0.012 | 24.013 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
370 | 1041 | WAT | 0 | -0.027 | -0.012 | 13.812 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 | |
371 | 1042 | WAT | 0 | -0.006 | -0.001 | 19.898 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
372 | 1043 | WAT | 0 | 0.007 | 0.002 | 15.910 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
373 | 1044 | WAT | 0 | 0.014 | 0.007 | 22.413 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
374 | 1045 | WAT | 0 | 0.029 | 0.014 | 19.488 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
375 | 1046 | WAT | 0 | 0.000 | 0.001 | 21.325 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |