![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: PJQ29
Calculation Name: 3B68-A-Xray15
Preferred Name: Androgen Receptor
Target Type: SINGLE PROTEIN
Ligand Name: (2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
ligand 3-letter code: B68
PDB ID: 3B68
Chain ID: A
ChEMBL ID: CHEMBL1871
UniProt ID: P10275
Base Structure: X-ray
Registration Date: 2018-03-20
Reference:
Modeling method
Optimization | Other |
---|---|
Restraint | OptH |
Protonation | Other |
Complement | No |
Water | Crystal waters in PDB |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 393 |
LigandCharge | B68=0 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4195496.476881 |
---|---|
FMO2-HF: Nuclear repulsion | 4080248.813154 |
FMO2-HF: Total energy | -115247.663727 |
FMO2-MP2: Total energy | -115572.245726 |
3D Structure
Ligand structure
B68
![ligand structure](./Kdata/F001713/ligand_interaction/ligand_F001713.png)
Ligand Interaction
![ligand interaction](./Kdata/F001713/ligand_interaction/ligand_interaction_F001713.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-154.582 | -107.077 | 104.607 | -47.466 | -104.643 | -0.021 |
Interactive mode: IFIE and PIEDA for fragment #393(:1064:B68)
Summations of interaction energy for
fragment #393(:1064:B68)
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. |
-154.582 | -107.077 | 104.607 | -47.466 | -104.643 | 0.021 |
Interaction energy analysis for fragmet #393(:1064:B68)
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 | 0.063 | 0.003 | 27.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
2 | 673 | PHE | 0 | -0.003 | -0.011 | 20.697 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 | |
3 | 674 | LEU | 0 | 0.034 | -0.002 | 20.523 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 | |
4 | 675 | ASN | 0 | 0.050 | 0.044 | 21.490 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 | |
5 | 676 | VAL | 0 | 0.004 | 0.011 | 21.050 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
6 | 677 | LEU | 0 | -0.005 | -0.004 | 17.455 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
7 | 678 | GLU | -1 | -0.852 | -0.924 | 17.098 | 1.615 | 1.615 | 0.000 | 0.000 | 0.000 | 0.000 | |
8 | 679 | ALA | 0 | -0.038 | -0.008 | 17.698 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 | |
9 | 680 | ILE | 0 | -0.051 | -0.015 | 16.178 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
10 | 681 | GLU | -1 | -0.786 | -0.858 | 11.072 | 3.672 | 3.672 | 0.000 | 0.000 | 0.000 | 0.000 | |
11 | 682 | PRO | 0 | -0.052 | -0.022 | 9.668 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 | |
12 | 683 | GLY | 0 | 0.048 | 0.032 | 11.395 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 | |
13 | 684 | VAL | 0 | -0.033 | -0.028 | 9.376 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 | |
14 | 685 | VAL | 0 | -0.043 | -0.009 | 6.452 | -0.799 | -0.799 | 0.000 | 0.000 | 0.000 | 0.000 | |
15 | 686 | CYS | 0 | -0.017 | -0.011 | 7.002 | 1.066 | 1.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
16 | 687 | ALA | 0 | -0.003 | 0.002 | 5.889 | -0.676 | -0.676 | 0.000 | 0.000 | 0.000 | 0.000 | |
17 | 688 | GLY | 0 | -0.006 | 0.002 | 7.377 | -0.690 | -0.690 | 0.000 | 0.000 | 0.000 | 0.000 | |
18 | 689 | HIS | 1 | 0.808 | 0.908 | 9.208 | 1.810 | 1.810 | 0.000 | 0.000 | 0.000 | 0.000 | |
19 | 690 | ASP | -1 | -0.714 | -0.784 | 11.071 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 | |
20 | 691 | ASN | 0 | -0.010 | -0.059 | 12.093 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
21 | 692 | ASN | 0 | -0.020 | 0.002 | 15.659 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 | |
22 | 693 | GLN | 0 | -0.002 | 0.024 | 16.527 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 | |
23 | 694 | PRO | 0 | -0.001 | 0.001 | 17.120 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
24 | 695 | ASP | -1 | -0.808 | -0.894 | 13.459 | -0.694 | -0.694 | 0.000 | 0.000 | 0.000 | 0.000 | |
25 | 696 | SER | 0 | -0.031 | -0.032 | 12.778 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
26 | 697 | PHE | 0 | -0.037 | -0.043 | 7.432 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 | |
27 | 698 | ALA | 0 | 0.021 | -0.002 | 8.575 | -0.684 | -0.684 | 0.000 | 0.000 | 0.000 | 0.000 | |
28 | 699 | ALA | 0 | 0.073 | 0.056 | 9.234 | -0.684 | -0.684 | 0.000 | 0.000 | 0.000 | 0.000 | |
29 | 700 | LEU | 0 | -0.046 | -0.014 | 7.635 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 | |
30 | 701 | LEU | 0 | -0.002 | -0.009 | 2.937 | -1.526 | -0.964 | 0.181 | -0.110 | -0.633 | 0.000 | |
31 | 702 | SER | 0 | 0.036 | 0.029 | 4.399 | -3.467 | -3.360 | -0.001 | -0.011 | -0.095 | 0.000 | |
32 | 703 | SER | 0 | 0.029 | 0.019 | 6.232 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 | |
33 | 704 | LEU | 0 | -0.022 | -0.004 | 2.754 | -4.169 | -0.303 | 1.268 | -1.095 | -4.039 | 0.006 | |
34 | 705 | ASN | 0 | 0.014 | 0.029 | 1.649 | -39.506 | -43.144 | 24.885 | -11.640 | -9.606 | -0.084 | |
35 | 706 | GLU | -1 | -0.776 | -0.856 | 2.866 | 0.176 | -1.777 | 0.157 | 2.501 | -0.706 | 0.000 | |
36 | 707 | LEU | 0 | -0.053 | -0.016 | 2.178 | -2.069 | 0.119 | 2.192 | -0.956 | -3.424 | 0.002 | |
37 | 708 | GLY | 0 | 0.012 | -0.010 | 2.537 | -1.330 | 0.840 | 1.487 | -1.348 | -2.309 | -0.006 | |
38 | 709 | GLU | -1 | -0.799 | -0.919 | 2.983 | 1.372 | 0.867 | 0.255 | 1.013 | -0.763 | 0.000 | |
39 | 710 | ARG | 1 | 0.821 | 0.888 | 6.287 | 3.519 | 3.519 | 0.000 | 0.000 | 0.000 | 0.000 | |
40 | 711 | GLN | 0 | -0.006 | -0.014 | 2.600 | 1.438 | 2.865 | 4.169 | -1.812 | -3.783 | -0.001 | |
41 | 712 | LEU | 0 | 0.033 | 0.039 | 6.075 | 0.900 | 0.900 | 0.000 | 0.000 | 0.000 | 0.000 | |
42 | 713 | VAL | 0 | -0.003 | 0.003 | 8.346 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 | |
43 | 714 | HIS | 1 | 0.929 | 0.947 | 9.153 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 | |
44 | 715 | VAL | 0 | 0.025 | 0.028 | 7.633 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 | |
45 | 716 | VAL | 0 | 0.018 | 0.007 | 9.849 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
46 | 717 | LYS | 1 | 0.921 | 0.951 | 12.064 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 | |
47 | 718 | TRP | 0 | -0.014 | 0.000 | 11.686 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 | |
48 | 719 | ALA | 0 | 0.031 | 0.008 | 12.359 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
49 | 720 | LYS | 1 | 0.896 | 0.945 | 13.526 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 | |
50 | 721 | ALA | 0 | -0.014 | 0.033 | 16.489 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
51 | 722 | LEU | 0 | 0.005 | 0.010 | 15.650 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 | |
52 | 723 | PRO | 0 | -0.001 | 0.023 | 19.161 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 | |
53 | 724 | GLY | 0 | 0.078 | 0.025 | 20.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
54 | 725 | PHE | 0 | 0.002 | 0.007 | 12.052 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 | |
55 | 726 | ARG | 1 | 0.896 | 0.947 | 17.416 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 | |
56 | 727 | ASN | 0 | -0.021 | 0.024 | 19.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
57 | 728 | LEU | 0 | 0.004 | 0.027 | 14.143 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
58 | 729 | HIS | 1 | 0.918 | 0.959 | 16.084 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 | |
59 | 730 | VAL | 0 | 0.044 | 0.011 | 15.391 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 | |
60 | 731 | ASP | -1 | -0.842 | -0.928 | 13.161 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 | |
61 | 732 | ASP | -1 | -0.702 | -0.831 | 11.522 | -0.707 | -0.707 | 0.000 | 0.000 | 0.000 | 0.000 | |
62 | 733 | GLN | 0 | -0.036 | -0.016 | 11.019 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 | |
63 | 734 | MET | 0 | 0.030 | 0.014 | 7.865 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 | |
64 | 735 | ALA | 0 | 0.002 | 0.012 | 6.945 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 | |
65 | 736 | VAL | 0 | -0.005 | 0.002 | 6.297 | -0.753 | -0.753 | 0.000 | 0.000 | 0.000 | 0.000 | |
66 | 737 | ILE | 0 | -0.025 | -0.001 | 6.945 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 | |
67 | 738 | GLN | 0 | 0.041 | 0.014 | 2.982 | -1.283 | -0.686 | 0.048 | -0.085 | -0.561 | 0.000 | |
68 | 739 | TYR | 0 | 0.016 | 0.003 | 2.465 | -6.687 | -6.201 | 2.572 | -1.122 | -1.937 | -0.015 | |
69 | 740 | SER | 0 | -0.014 | -0.011 | 4.060 | -1.295 | -1.026 | 0.001 | -0.043 | -0.227 | 0.000 | |
70 | 741 | TRP | 0 | 0.011 | 0.008 | 2.702 | -4.595 | 1.566 | 3.782 | -1.714 | -8.229 | -0.002 | |
71 | 742 | MET | 0 | -0.015 | -0.006 | 2.139 | -2.027 | 2.012 | 8.026 | -3.290 | -8.775 | 0.018 | |
72 | 743 | GLY | 0 | 0.011 | -0.007 | 3.157 | 5.561 | 5.551 | 0.082 | 0.275 | -0.346 | 0.001 | |
73 | 744 | LEU | 0 | -0.002 | -0.005 | 6.191 | 2.124 | 2.124 | 0.000 | 0.000 | 0.000 | 0.000 | |
74 | 745 | MET | 0 | -0.082 | -0.015 | 2.253 | -5.475 | -0.437 | 5.075 | -2.346 | -7.767 | 0.020 | |
75 | 746 | VAL | 0 | 0.044 | 0.021 | 2.749 | 4.733 | 8.424 | 1.937 | -1.754 | -3.874 | 0.008 | |
76 | 747 | PHE | 0 | -0.011 | -0.011 | 3.405 | -0.632 | -0.568 | 0.072 | 0.098 | -0.234 | 0.002 | |
77 | 748 | ALA | 0 | 0.013 | -0.002 | 5.291 | -0.684 | -0.684 | 0.000 | 0.000 | 0.000 | 0.000 | |
78 | 749 | MET | 0 | -0.059 | 0.007 | 2.196 | -6.434 | -5.941 | 6.638 | -2.467 | -4.663 | 0.023 | |
79 | 750 | GLY | 0 | 0.054 | 0.018 | 4.186 | -3.798 | -3.597 | 0.004 | -0.084 | -0.120 | 0.000 | |
80 | 751 | TRP | 0 | 0.039 | 0.013 | 7.276 | -1.550 | -1.550 | 0.000 | 0.000 | 0.000 | 0.000 | |
81 | 752 | ARG | 1 | 0.840 | 0.933 | 2.350 | -22.891 | -20.915 | 1.405 | -1.317 | -2.064 | 0.019 | |
82 | 753 | SER | 0 | -0.018 | -0.016 | 6.987 | -1.289 | -1.289 | 0.000 | 0.000 | 0.000 | 0.000 | |
83 | 754 | PHE | 0 | -0.037 | 0.017 | 9.508 | -1.013 | -1.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
84 | 755 | THR | 0 | 0.012 | -0.004 | 12.191 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 | |
85 | 756 | ASN | 0 | -0.021 | -0.003 | 11.370 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 | |
86 | 757 | VAL | 0 | 0.001 | 0.000 | 11.646 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 | |
87 | 758 | ASN | 0 | 0.018 | 0.014 | 14.403 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 | |
88 | 759 | SER | 0 | -0.023 | -0.022 | 11.841 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
89 | 760 | ARG | 1 | 0.890 | 0.967 | 12.925 | -1.556 | -1.556 | 0.000 | 0.000 | 0.000 | 0.000 | |
90 | 761 | MET | 0 | -0.042 | -0.031 | 11.520 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 | |
91 | 762 | LEU | 0 | -0.011 | 0.003 | 5.757 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 | |
92 | 763 | TYR | 0 | 0.063 | 0.015 | 7.396 | -1.059 | -1.059 | 0.000 | 0.000 | 0.000 | 0.000 | |
93 | 764 | PHE | 0 | 0.012 | -0.004 | 2.560 | -1.430 | 2.495 | 3.387 | -1.808 | -5.504 | 0.011 | |
94 | 765 | ALA | 0 | 0.029 | 0.018 | 3.498 | 2.638 | 3.622 | 0.064 | -0.235 | -0.812 | 0.000 | |
95 | 766 | PRO | 0 | 0.022 | 0.023 | 6.207 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 | |
96 | 767 | ASP | -1 | -0.726 | -0.838 | 9.069 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 | |
97 | 768 | LEU | 0 | -0.015 | -0.001 | 5.005 | -0.923 | -0.923 | 0.000 | 0.000 | 0.000 | 0.000 | |
98 | 769 | VAL | 0 | 0.024 | 0.017 | 7.462 | 1.225 | 1.225 | 0.000 | 0.000 | 0.000 | 0.000 | |
99 | 770 | PHE | 0 | 0.009 | -0.011 | 7.016 | -0.751 | -0.751 | 0.000 | 0.000 | 0.000 | 0.000 | |
100 | 771 | ASN | 0 | 0.107 | 0.053 | 10.106 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 | |
101 | 772 | GLU | -1 | -0.725 | -0.852 | 12.523 | 1.218 | 1.218 | 0.000 | 0.000 | 0.000 | 0.000 | |
102 | 773 | TYR | 0 | 0.022 | 0.017 | 14.223 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 | |
103 | 774 | ARG | 1 | 0.833 | 0.911 | 10.769 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 | |
104 | 775 | MET | 0 | -0.044 | -0.004 | 9.245 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 | |
105 | 776 | HIS | 1 | 0.944 | 0.975 | 10.592 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 | |
106 | 777 | LYS | 1 | 0.837 | 0.954 | 11.401 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 | |
107 | 778 | SER | 0 | 0.074 | 0.023 | 6.387 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 | |
108 | 779 | ARG | 1 | 0.888 | 0.936 | 7.280 | 1.396 | 1.396 | 0.000 | 0.000 | 0.000 | 0.000 | |
109 | 780 | MET | 0 | -0.001 | 0.020 | 3.684 | -1.719 | -0.940 | 0.036 | -0.216 | -0.601 | 0.001 | |
110 | 781 | TYR | 0 | 0.008 | 0.001 | 8.103 | 0.944 | 0.944 | 0.000 | 0.000 | 0.000 | 0.000 | |
111 | 782 | SER | 0 | 0.002 | 0.010 | 10.945 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 | |
112 | 783 | GLN | 0 | 0.067 | 0.016 | 6.279 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 | |
113 | 784 | CYS | 0 | -0.048 | -0.023 | 6.810 | 1.117 | 1.117 | 0.000 | 0.000 | 0.000 | 0.000 | |
114 | 785 | VAL | 0 | 0.043 | 0.021 | 7.853 | 0.583 | 0.583 | 0.000 | 0.000 | 0.000 | 0.000 | |
115 | 786 | ARG | 1 | 0.844 | 0.922 | 9.065 | -1.606 | -1.606 | 0.000 | 0.000 | 0.000 | 0.000 | |
116 | 787 | MET | 0 | 0.024 | 0.020 | 3.323 | -0.784 | 0.989 | 0.249 | -0.779 | -1.243 | 0.006 | |
117 | 788 | ARG | 1 | 0.956 | 0.987 | 7.509 | -1.914 | -1.914 | 0.000 | 0.000 | 0.000 | 0.000 | |
118 | 789 | HIS | 1 | 0.891 | 0.943 | 9.921 | -2.366 | -2.366 | 0.000 | 0.000 | 0.000 | 0.000 | |
119 | 790 | LEU | 0 | -0.012 | 0.004 | 7.782 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 | |
120 | 791 | SER | 0 | 0.038 | -0.011 | 9.198 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
121 | 792 | GLN | 0 | -0.030 | 0.004 | 10.912 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 | |
122 | 793 | GLU | -1 | -0.807 | -0.874 | 13.879 | 1.620 | 1.620 | 0.000 | 0.000 | 0.000 | 0.000 | |
123 | 794 | PHE | 0 | -0.009 | 0.008 | 9.474 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 | |
124 | 795 | GLY | 0 | 0.039 | 0.045 | 14.962 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 | |
125 | 796 | TRP | 0 | -0.047 | -0.032 | 17.190 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 | |
126 | 797 | LEU | 0 | -0.017 | -0.016 | 17.385 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 | |
127 | 798 | GLN | 0 | -0.036 | -0.008 | 19.560 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 | |
128 | 799 | ILE | 0 | -0.045 | 0.002 | 15.124 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 | |
129 | 800 | THR | 0 | 0.046 | 0.009 | 17.599 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 | |
130 | 801 | PRO | 0 | 0.047 | 0.001 | 16.351 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 | |
131 | 802 | GLN | 0 | 0.052 | 0.031 | 16.734 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 | |
132 | 803 | GLU | -1 | -0.707 | -0.808 | 18.346 | 1.469 | 1.469 | 0.000 | 0.000 | 0.000 | 0.000 | |
133 | 804 | PHE | 0 | 0.003 | 0.004 | 9.572 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 | |
134 | 805 | LEU | 0 | 0.022 | 0.025 | 13.863 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 | |
135 | 806 | CYS | 0 | -0.011 | 0.043 | 15.287 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 | |
136 | 807 | MET | 0 | -0.044 | -0.010 | 14.365 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 | |
137 | 808 | LYS | 1 | 0.823 | 0.905 | 9.046 | -3.517 | -3.517 | 0.000 | 0.000 | 0.000 | 0.000 | |
138 | 809 | ALA | 0 | 0.020 | 0.007 | 12.518 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 | |
139 | 810 | LEU | 0 | 0.022 | 0.006 | 15.167 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 | |
140 | 811 | LEU | 0 | -0.005 | 0.006 | 8.869 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 | |
141 | 812 | LEU | 0 | -0.048 | 0.013 | 9.989 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 | |
142 | 813 | PHE | 0 | -0.002 | -0.005 | 11.193 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 | |
143 | 814 | SER | 0 | -0.012 | -0.019 | 11.666 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 | |
144 | 815 | ILE | 0 | -0.041 | -0.013 | 6.105 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
145 | 816 | ILE | 0 | -0.005 | 0.023 | 9.688 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 | |
146 | 817 | PRO | 0 | 0.022 | -0.001 | 10.475 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
147 | 818 | VAL | 0 | 0.005 | 0.017 | 12.237 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 | |
148 | 819 | ASP | -1 | -0.901 | -0.937 | 14.796 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 | |
149 | 820 | GLY | 0 | -0.047 | -0.013 | 15.605 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 | |
150 | 821 | LEU | 0 | -0.080 | -0.048 | 11.760 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 | |
151 | 822 | LYS | 1 | 0.881 | 0.924 | 15.268 | 0.616 | 0.616 | 0.000 | 0.000 | 0.000 | 0.000 | |
152 | 823 | ASN | 0 | -0.010 | -0.001 | 17.467 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 | |
153 | 824 | GLN | 0 | -0.016 | -0.001 | 16.171 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 | |
154 | 825 | LYS | 1 | 1.042 | 1.014 | 18.888 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 | |
155 | 826 | PHE | 0 | 0.028 | 0.020 | 20.079 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
156 | 827 | PHE | 0 | 0.000 | 0.008 | 13.119 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
157 | 828 | ASP | -1 | -0.856 | -0.939 | 18.035 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
158 | 829 | GLU | -1 | -0.903 | -0.967 | 20.301 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 | |
159 | 830 | LEU | 0 | 0.004 | 0.016 | 17.129 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 | |
160 | 831 | ARG | 1 | 0.900 | 0.931 | 16.069 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 | |
161 | 832 | MET | 0 | -0.040 | -0.011 | 19.135 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 | |
162 | 833 | ASN | 0 | -0.017 | -0.026 | 22.726 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 | |
163 | 834 | TYR | 0 | 0.094 | 0.032 | 19.175 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 | |
164 | 835 | ILE | 0 | -0.044 | -0.020 | 20.334 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 | |
165 | 836 | LYS | 1 | 0.876 | 0.950 | 22.660 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 | |
166 | 837 | GLU | -1 | -0.809 | -0.874 | 22.753 | 0.663 | 0.663 | 0.000 | 0.000 | 0.000 | 0.000 | |
167 | 838 | LEU | 0 | -0.009 | -0.022 | 19.155 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 | |
168 | 839 | ASP | -1 | -0.835 | -0.898 | 22.494 | 0.675 | 0.675 | 0.000 | 0.000 | 0.000 | 0.000 | |
169 | 840 | ARG | 1 | 0.920 | 0.970 | 25.911 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 | |
170 | 841 | ILE | 0 | -0.007 | -0.005 | 21.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
171 | 842 | ILE | 0 | -0.047 | -0.010 | 22.666 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
172 | 843 | ALA | 0 | -0.007 | -0.010 | 25.656 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
173 | 844 | CYS | 0 | -0.045 | -0.013 | 27.240 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 | |
174 | 845 | LYS | 1 | 0.938 | 0.976 | 28.382 | -0.703 | -0.703 | 0.000 | 0.000 | 0.000 | 0.000 | |
175 | 846 | ARG | 1 | 0.823 | 0.870 | 24.940 | -0.959 | -0.959 | 0.000 | 0.000 | 0.000 | 0.000 | |
176 | 847 | LYS | 1 | 1.019 | 1.012 | 31.707 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 | |
177 | 848 | ASN | 0 | 0.019 | 0.006 | 34.288 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
178 | 849 | PRO | 0 | 0.140 | 0.063 | 33.151 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 | |
179 | 850 | THR | 0 | 0.050 | 0.020 | 32.132 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
180 | 851 | SER | 0 | -0.062 | -0.028 | 30.734 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 | |
181 | 852 | CYS | 0 | 0.006 | 0.005 | 28.361 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
182 | 853 | SER | 0 | 0.043 | 0.033 | 27.239 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
183 | 854 | ARG | 1 | 0.956 | 0.978 | 26.622 | -0.698 | -0.698 | 0.000 | 0.000 | 0.000 | 0.000 | |
184 | 855 | ARG | 1 | 0.766 | 0.864 | 20.804 | -1.334 | -1.334 | 0.000 | 0.000 | 0.000 | 0.000 | |
185 | 856 | PHE | 0 | 0.094 | 0.041 | 22.760 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 | |
186 | 857 | TYR | 0 | -0.035 | 0.004 | 22.198 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 | |
187 | 858 | GLN | 0 | 0.029 | 0.001 | 21.018 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
188 | 859 | LEU | 0 | 0.037 | 0.020 | 18.077 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 | |
189 | 860 | THR | 0 | 0.000 | -0.007 | 17.152 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 | |
190 | 861 | LYS | 1 | 0.895 | 0.964 | 17.691 | -0.830 | -0.830 | 0.000 | 0.000 | 0.000 | 0.000 | |
191 | 862 | LEU | 0 | 0.043 | 0.032 | 13.551 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
192 | 863 | LEU | 0 | 0.013 | 0.027 | 12.868 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 | |
193 | 864 | ASP | -1 | -0.713 | -0.834 | 12.839 | 0.866 | 0.866 | 0.000 | 0.000 | 0.000 | 0.000 | |
194 | 865 | SER | 0 | -0.086 | -0.060 | 12.994 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 | |
195 | 866 | VAL | 0 | 0.056 | 0.053 | 7.413 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 | |
196 | 867 | GLN | 0 | 0.021 | 0.023 | 8.857 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 | |
197 | 868 | PRO | 0 | 0.001 | 0.010 | 10.742 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 | |
198 | 869 | ILE | 0 | 0.029 | 0.017 | 5.671 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 | |
199 | 870 | ALA | 0 | 0.039 | 0.017 | 6.357 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 | |
200 | 871 | ARG | 1 | 0.914 | 0.968 | 7.119 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 | |
201 | 872 | GLU | -1 | -0.860 | -0.938 | 8.895 | 0.713 | 0.713 | 0.000 | 0.000 | 0.000 | 0.000 | |
202 | 873 | LEU | 0 | -0.004 | -0.008 | 2.557 | -2.252 | -0.898 | 0.786 | -0.566 | -1.574 | 0.005 | |
203 | 874 | HIS | 0 | 0.001 | -0.001 | 3.467 | -8.231 | -5.622 | 0.126 | -0.995 | -1.741 | -0.005 | |
204 | 875 | GLN | 0 | -0.031 | -0.037 | 6.293 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 | |
205 | 876 | PHE | 0 | 0.016 | 0.006 | 3.018 | -0.756 | -0.012 | 0.098 | -0.122 | -0.719 | 0.001 | |
206 | 877 | THR | 0 | 0.001 | -0.025 | 2.530 | -7.632 | -4.850 | 3.227 | -1.698 | -4.310 | -0.006 | |
207 | 878 | PHE | 0 | 0.000 | 0.006 | 4.587 | -0.392 | -0.234 | 0.000 | -0.026 | -0.132 | 0.000 | |
208 | 879 | ASP | -1 | -0.842 | -0.891 | 7.742 | -1.755 | -1.755 | 0.000 | 0.000 | 0.000 | 0.000 | |
209 | 880 | LEU | 0 | -0.043 | -0.028 | 3.405 | 0.031 | 0.281 | 0.010 | -0.054 | -0.206 | 0.000 | |
210 | 881 | LEU | 0 | 0.035 | 0.012 | 6.403 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 | |
211 | 882 | ILE | 0 | -0.026 | 0.010 | 8.019 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 | |
212 | 883 | LYS | 1 | 0.919 | 0.958 | 10.206 | 2.572 | 2.572 | 0.000 | 0.000 | 0.000 | 0.000 | |
213 | 884 | SER | 0 | 0.015 | 0.025 | 8.851 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 | |
214 | 885 | HIS | 1 | 0.938 | 0.953 | 10.010 | 2.125 | 2.125 | 0.000 | 0.000 | 0.000 | 0.000 | |
215 | 886 | MET | 0 | -0.029 | -0.013 | 13.289 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 | |
216 | 887 | VAL | 0 | -0.071 | -0.021 | 9.243 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 | |
217 | 888 | SER | 0 | 0.018 | 0.017 | 11.718 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 | |
218 | 889 | VAL | 0 | 0.002 | 0.016 | 5.627 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 | |
219 | 890 | ASP | -1 | -0.894 | -0.924 | 8.449 | -3.183 | -3.183 | 0.000 | 0.000 | 0.000 | 0.000 | |
220 | 891 | PHE | 0 | -0.045 | -0.057 | 3.182 | -2.049 | -1.409 | 0.024 | -0.124 | -0.540 | 0.000 | |
221 | 892 | PRO | 0 | 0.014 | 0.018 | 5.571 | 0.846 | 0.846 | 0.000 | 0.000 | 0.000 | 0.000 | |
222 | 893 | GLU | -1 | -0.825 | -0.931 | 7.741 | -1.686 | -1.686 | 0.000 | 0.000 | 0.000 | 0.000 | |
223 | 894 | MET | 0 | 0.022 | 0.027 | 7.761 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 | |
224 | 895 | MET | 0 | -0.055 | -0.021 | 2.536 | -6.789 | -4.284 | 5.422 | -1.951 | -5.975 | 0.011 | |
225 | 896 | ALA | 0 | -0.010 | -0.005 | 4.167 | 1.256 | 1.593 | 0.000 | -0.075 | -0.262 | 0.000 | |
226 | 897 | GLU | -1 | -0.888 | -0.936 | 6.595 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 | |
227 | 898 | ILE | 0 | -0.013 | -0.014 | 2.596 | -1.952 | -0.652 | 1.185 | -0.803 | -1.683 | 0.009 | |
228 | 899 | ILE | 0 | -0.029 | -0.013 | 2.158 | -1.648 | 1.018 | 4.509 | -1.986 | -5.188 | 0.011 | |
229 | 900 | SER | 0 | -0.045 | -0.033 | 3.524 | -2.221 | -2.313 | 0.044 | 0.299 | -0.250 | 0.001 | |
230 | 901 | VAL | 0 | 0.013 | 0.016 | 6.447 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 | |
231 | 902 | GLN | 0 | -0.002 | -0.040 | 2.240 | -1.244 | -1.058 | 1.237 | -0.415 | -1.008 | -0.001 | |
232 | 903 | VAL | 0 | -0.026 | 0.011 | 2.615 | -3.796 | -1.984 | 1.932 | -1.102 | -2.642 | 0.009 | |
233 | 904 | PRO | 0 | 0.045 | 0.022 | 3.889 | -0.745 | -0.562 | 0.005 | -0.018 | -0.171 | 0.000 | |
234 | 905 | LYS | 1 | 0.851 | 0.948 | 6.490 | 1.000 | 1.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
235 | 906 | ILE | 0 | 0.011 | 0.020 | 3.463 | -0.178 | 0.048 | 0.017 | -0.048 | -0.195 | 0.000 | |
236 | 907 | LEU | 0 | -0.047 | 0.000 | 7.430 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 | |
237 | 908 | SER | 0 | -0.054 | -0.026 | 9.549 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 | |
238 | 909 | GLY | 0 | -0.005 | -0.001 | 10.978 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 | |
239 | 910 | LYS | 1 | 0.955 | 0.990 | 10.496 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 | |
240 | 911 | VAL | 0 | 0.004 | 0.013 | 7.045 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 | |
241 | 912 | LYS | 1 | 0.951 | 0.977 | 9.406 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 | |
242 | 913 | PRO | 0 | 0.012 | 0.008 | 9.943 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
243 | 914 | ILE | 0 | 0.023 | 0.015 | 11.448 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 | |
244 | 915 | TYR | 0 | -0.021 | 0.010 | 13.554 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 | |
245 | 916 | PHE | 0 | 0.014 | 0.006 | 17.052 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 | |
246 | 917 | HIS | 1 | 0.825 | 0.931 | 20.138 | -0.813 | -0.813 | 0.000 | 0.000 | 0.000 | 0.000 | |
247 | 918 | WAT | 0 | 0.011 | 0.030 | 1.779 | -7.352 | -15.485 | 16.684 | -5.288 | -3.263 | -0.049 | |
248 | 919 | WAT | 0 | -0.018 | -0.046 | 14.324 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 | |
249 | 920 | WAT | 0 | -0.006 | -0.006 | 22.036 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
250 | 921 | WAT | 0 | -0.010 | -0.012 | 16.913 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 | |
251 | 922 | WAT | 0 | -0.009 | -0.023 | 6.998 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 | |
252 | 923 | WAT | 0 | 0.002 | -0.010 | 10.329 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 | |
253 | 924 | WAT | 0 | 0.010 | 0.016 | 4.818 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 | |
254 | 925 | WAT | 0 | 0.009 | 0.014 | 2.445 | -10.060 | -6.844 | 1.330 | -2.129 | -2.417 | 0.026 | |
255 | 926 | WAT | 0 | 0.029 | 0.020 | 24.007 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
256 | 927 | WAT | 0 | -0.008 | -0.016 | 3.893 | -0.001 | 0.071 | 0.000 | -0.020 | -0.052 | 0.000 | |
257 | 928 | WAT | 0 | -0.006 | -0.022 | 12.145 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 | |
258 | 929 | WAT | 0 | -0.011 | -0.014 | 13.097 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 | |
259 | 930 | WAT | 0 | -0.024 | -0.020 | 13.813 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
260 | 931 | WAT | 0 | -0.050 | -0.057 | 14.199 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 | |
261 | 932 | WAT | 0 | -0.041 | -0.044 | 7.010 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 | |
262 | 933 | WAT | 0 | -0.002 | -0.011 | 11.725 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
263 | 934 | WAT | 0 | 0.023 | 0.012 | 19.939 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 | |
264 | 935 | WAT | 0 | -0.032 | -0.022 | 22.527 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
265 | 936 | WAT | 0 | 0.054 | 0.041 | 11.892 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 | |
266 | 937 | WAT | 0 | 0.016 | 0.019 | 12.353 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 | |
267 | 938 | WAT | 0 | -0.062 | -0.061 | 24.228 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
268 | 939 | WAT | 0 | 0.019 | 0.015 | 9.203 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 | |
269 | 940 | WAT | 0 | -0.009 | -0.003 | 22.124 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
270 | 941 | WAT | 0 | -0.015 | -0.008 | 16.746 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
271 | 942 | WAT | 0 | -0.006 | -0.002 | 24.275 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
272 | 943 | WAT | 0 | -0.063 | -0.082 | 19.641 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
273 | 944 | WAT | 0 | -0.069 | -0.079 | 13.451 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 | |
274 | 945 | WAT | 0 | 0.009 | 0.001 | 11.635 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 | |
275 | 946 | WAT | 0 | 0.033 | 0.021 | 27.361 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
276 | 947 | WAT | 0 | -0.012 | -0.010 | 7.159 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 | |
277 | 948 | WAT | 0 | -0.004 | 0.004 | 23.006 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
278 | 949 | WAT | 0 | 0.012 | 0.004 | 18.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
279 | 950 | WAT | 0 | -0.053 | -0.031 | 10.309 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 | |
280 | 951 | WAT | 0 | -0.018 | -0.008 | 14.323 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 | |
281 | 952 | WAT | 0 | 0.036 | 0.036 | 13.147 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
282 | 953 | WAT | 0 | 0.021 | 0.007 | 27.907 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
283 | 954 | WAT | 0 | -0.010 | -0.013 | 16.172 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
284 | 955 | WAT | 0 | -0.007 | -0.003 | 7.723 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 | |
285 | 956 | WAT | 0 | 0.010 | 0.015 | 15.689 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
286 | 957 | WAT | 0 | 0.015 | 0.007 | 13.358 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
287 | 958 | WAT | 0 | 0.001 | 0.017 | 11.815 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 | |
288 | 959 | WAT | 0 | -0.040 | -0.049 | 15.413 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
289 | 960 | WAT | 0 | -0.012 | -0.012 | 13.212 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 | |
290 | 961 | WAT | 0 | 0.008 | 0.002 | 17.213 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
291 | 962 | WAT | 0 | -0.005 | -0.031 | 14.665 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 | |
292 | 963 | WAT | 0 | -0.041 | -0.043 | 16.847 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
293 | 964 | WAT | 0 | 0.001 | -0.001 | 14.175 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
294 | 965 | WAT | 0 | 0.056 | 0.052 | 11.946 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 | |
295 | 966 | WAT | 0 | 0.027 | 0.018 | 13.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
296 | 967 | WAT | 0 | 0.031 | 0.033 | 9.900 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 | |
297 | 968 | WAT | 0 | 0.027 | 0.011 | 13.091 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
298 | 969 | WAT | 0 | -0.006 | -0.003 | 21.975 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
299 | 970 | WAT | 0 | 0.027 | 0.012 | 8.888 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 | |
300 | 971 | WAT | 0 | -0.044 | -0.028 | 18.611 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
301 | 972 | WAT | 0 | -0.026 | -0.019 | 13.705 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
302 | 973 | WAT | 0 | 0.006 | -0.004 | 6.181 | -0.706 | -0.706 | 0.000 | 0.000 | 0.000 | 0.000 | |
303 | 974 | WAT | 0 | -0.038 | -0.038 | 9.801 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 | |
304 | 975 | WAT | 0 | 0.002 | -0.007 | 12.242 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
305 | 976 | WAT | 0 | 0.024 | 0.009 | 16.536 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 | |
306 | 977 | WAT | 0 | -0.004 | 0.003 | 22.190 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
307 | 978 | WAT | 0 | -0.015 | -0.006 | 9.262 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 | |
308 | 979 | WAT | 0 | 0.010 | 0.001 | 8.961 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 | |
309 | 980 | WAT | 0 | 0.004 | 0.006 | 7.174 | 0.625 | 0.625 | 0.000 | 0.000 | 0.000 | 0.000 | |
310 | 981 | WAT | 0 | -0.003 | -0.020 | 10.004 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 | |
311 | 982 | WAT | 0 | -0.041 | -0.034 | 19.828 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
312 | 983 | WAT | 0 | -0.011 | -0.013 | 13.108 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
313 | 984 | WAT | 0 | 0.000 | -0.002 | 10.524 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 | |
314 | 985 | WAT | 0 | -0.011 | -0.003 | 12.187 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
315 | 986 | WAT | 0 | -0.045 | -0.026 | 19.801 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
316 | 987 | WAT | 0 | 0.017 | 0.005 | 14.010 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 | |
317 | 988 | WAT | 0 | -0.033 | -0.043 | 11.895 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 | |
318 | 989 | WAT | 0 | 0.002 | 0.001 | 31.868 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
319 | 990 | WAT | 0 | 0.028 | 0.015 | 10.299 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
320 | 991 | WAT | 0 | -0.050 | -0.044 | 17.325 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 | |
321 | 992 | WAT | 0 | -0.020 | -0.028 | 10.109 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 | |
322 | 993 | WAT | 0 | -0.003 | -0.015 | 8.290 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 | |
323 | 994 | WAT | 0 | -0.048 | -0.045 | 18.313 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
324 | 995 | WAT | 0 | -0.011 | -0.016 | 28.098 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
325 | 996 | WAT | 0 | 0.026 | 0.023 | 22.851 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 | |
326 | 997 | WAT | 0 | 0.007 | 0.007 | 11.518 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 | |
327 | 998 | WAT | 0 | 0.005 | -0.005 | 8.257 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 | |
328 | 999 | WAT | 0 | 0.003 | 0.001 | 13.750 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
329 | 1000 | WAT | 0 | 0.004 | 0.001 | 13.785 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
330 | 1001 | WAT | 0 | 0.008 | 0.004 | 13.396 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
331 | 1002 | WAT | 0 | -0.016 | 0.001 | 10.682 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 | |
332 | 1003 | WAT | 0 | 0.041 | 0.024 | 7.450 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 | |
333 | 1004 | WAT | 0 | -0.016 | -0.008 | 19.339 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 | |
334 | 1005 | WAT | 0 | -0.025 | -0.020 | 20.497 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
335 | 1006 | WAT | 0 | 0.019 | 0.004 | 12.791 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 | |
336 | 1007 | WAT | 0 | 0.022 | 0.013 | 27.655 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
337 | 1008 | WAT | 0 | -0.020 | -0.010 | 14.261 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
338 | 1009 | WAT | 0 | -0.029 | -0.048 | 26.512 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
339 | 1010 | WAT | 0 | 0.032 | 0.018 | 14.036 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 | |
340 | 1011 | WAT | 0 | -0.010 | 0.001 | 23.286 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
341 | 1012 | WAT | 0 | -0.007 | -0.025 | 12.622 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 | |
342 | 1013 | WAT | 0 | 0.031 | 0.015 | 10.919 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
343 | 1014 | WAT | 0 | -0.011 | -0.004 | 7.267 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
344 | 1015 | WAT | 0 | 0.021 | 0.028 | 14.805 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 | |
345 | 1016 | WAT | 0 | 0.007 | -0.002 | 21.776 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
346 | 1017 | WAT | 0 | -0.024 | -0.009 | 13.460 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
347 | 1018 | WAT | 0 | -0.044 | -0.039 | 13.436 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 | |
348 | 1019 | WAT | 0 | -0.026 | -0.010 | 24.285 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
349 | 1020 | WAT | 0 | 0.000 | 0.000 | 34.905 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
350 | 1021 | WAT | 0 | -0.026 | -0.011 | 18.067 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 | |
351 | 1022 | WAT | 0 | -0.027 | -0.014 | 28.262 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
352 | 1023 | WAT | 0 | -0.001 | -0.018 | 15.200 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 | |
353 | 1024 | WAT | 0 | -0.057 | -0.046 | 19.640 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 | |
354 | 1025 | WAT | 0 | 0.038 | 0.028 | 17.733 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 | |
355 | 1026 | WAT | 0 | -0.036 | -0.031 | 11.252 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 | |
356 | 1027 | WAT | 0 | -0.017 | -0.008 | 32.233 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
357 | 1028 | WAT | 0 | -0.041 | -0.045 | 12.095 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 | |
358 | 1029 | WAT | 0 | -0.025 | -0.025 | 22.691 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
359 | 1030 | WAT | 0 | -0.038 | -0.042 | 22.145 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
360 | 1031 | WAT | 0 | 0.003 | -0.014 | 9.100 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 | |
361 | 1032 | WAT | 0 | -0.013 | 0.003 | 13.967 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 | |
362 | 1033 | WAT | 0 | 0.016 | 0.003 | 8.546 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 | |
363 | 1034 | WAT | 0 | 0.005 | 0.002 | 15.020 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 | |
364 | 1035 | WAT | 0 | -0.040 | -0.027 | 17.098 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 | |
365 | 1036 | WAT | 0 | -0.045 | -0.059 | 13.501 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 | |
366 | 1037 | WAT | 0 | 0.006 | 0.001 | 24.577 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
367 | 1038 | WAT | 0 | -0.067 | -0.065 | 12.933 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 | |
368 | 1039 | WAT | 0 | -0.015 | -0.006 | 12.757 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
369 | 1040 | WAT | 0 | 0.046 | 0.032 | 25.675 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
370 | 1041 | WAT | 0 | -0.023 | -0.007 | 10.831 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 | |
371 | 1042 | WAT | 0 | -0.016 | -0.018 | 12.200 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
372 | 1043 | WAT | 0 | 0.012 | 0.006 | 17.470 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 | |
373 | 1044 | WAT | 0 | -0.004 | -0.001 | 24.299 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
374 | 1045 | WAT | 0 | 0.025 | 0.029 | 12.638 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 | |
375 | 1046 | WAT | 0 | 0.016 | 0.007 | 8.766 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 | |
376 | 1047 | WAT | 0 | -0.010 | -0.036 | 23.492 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
377 | 1048 | WAT | 0 | 0.022 | 0.010 | 19.998 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 | |
378 | 1049 | WAT | 0 | -0.017 | -0.009 | 14.536 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 | |
379 | 1050 | WAT | 0 | -0.005 | -0.001 | 24.699 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
380 | 1051 | WAT | 0 | 0.005 | 0.001 | 17.563 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
381 | 1052 | WAT | 0 | 0.000 | 0.000 | 16.416 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 | |
382 | 1053 | WAT | 0 | -0.053 | -0.048 | 18.791 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 | |
383 | 1054 | WAT | 0 | -0.045 | -0.065 | 17.540 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 | |
384 | 1055 | WAT | 0 | -0.031 | -0.013 | 17.353 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 | |
385 | 1056 | WAT | 0 | 0.021 | 0.010 | 17.473 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 | |
386 | 1057 | WAT | 0 | -0.004 | -0.001 | 26.986 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
387 | 1058 | WAT | 0 | -0.019 | -0.006 | 17.283 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
388 | 1059 | WAT | 0 | -0.017 | -0.006 | 14.428 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 | |
389 | 1060 | WAT | 0 | -0.038 | -0.049 | 11.070 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 | |
390 | 1061 | WAT | 0 | 0.016 | 0.005 | 22.054 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
391 | 1062 | WAT | 0 | 0.003 | 0.001 | 24.777 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
392 | 1063 | WAT | 0 | 0.000 | 0.000 | 23.558 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |