![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: XYV92
Calculation Name: 4OEY-A-Xray16
Preferred Name: Androgen Receptor
Target Type: SINGLE PROTEIN
Ligand Name: 5-alpha-dihydrotestosterone
ligand 3-letter code: DHT
PDB ID: 4OEY
Chain ID: A
ChEMBL ID: CHEMBL1871
UniProt ID: P10275
Base Structure: X-ray
Registration Date: 2018-03-23
Reference:
Modeling method
Optimization | Other |
---|---|
Restraint | OptH |
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 | 369 |
LigandCharge | DHT=0 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4067408.946797 |
---|---|
FMO2-HF: Nuclear repulsion | 3954740.838158 |
FMO2-HF: Total energy | -112668.108638 |
FMO2-MP2: Total energy | -112986.478975 |
3D Structure
Ligand structure
DHT
![ligand structure](./Kdata/F001739/ligand_interaction/ligand_F001739.png)
Ligand Interaction
![ligand interaction](./Kdata/F001739/ligand_interaction/ligand_interaction_F001739.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. |
-90.805 | -71.446 | 83.515 | -31.565 | -71.316 | 0.040 |
Interactive mode: IFIE and PIEDA for fragment #369(:1040:DHT)
Summations of interaction energy for
fragment #369(:1040:DHT)
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. |
-90.805 | -71.446 | 83.515 | -31.565 | -71.316 | -0.04 |
Interaction energy analysis for fragmet #369(:1040:DHT)
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 | 0.070 | 0.007 | 27.304 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
2 | 673 | PHE | 0 | 0.000 | -0.005 | 20.825 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
3 | 674 | LEU | 0 | 0.046 | 0.009 | 21.478 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
4 | 675 | ASN | 0 | 0.050 | 0.048 | 21.897 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
5 | 676 | VAL | 0 | 0.008 | 0.012 | 20.657 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
6 | 677 | LEU | 0 | 0.002 | -0.001 | 17.659 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
7 | 678 | GLU | -1 | -0.901 | -0.960 | 17.489 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 | |
8 | 679 | ALA | 0 | -0.016 | -0.004 | 18.266 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
9 | 680 | ILE | 0 | -0.070 | -0.032 | 16.048 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
10 | 681 | GLU | -1 | -0.775 | -0.844 | 11.579 | 1.081 | 1.081 | 0.000 | 0.000 | 0.000 | 0.000 | |
11 | 682 | PRO | 0 | -0.083 | -0.036 | 9.964 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
12 | 683 | GLY | 0 | 0.002 | 0.002 | 11.798 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 | |
13 | 684 | VAL | 0 | -0.059 | -0.027 | 9.750 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 | |
14 | 685 | VAL | 0 | -0.065 | -0.025 | 6.104 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 | |
15 | 686 | CYS | 0 | -0.002 | -0.002 | 7.002 | 0.740 | 0.740 | 0.000 | 0.000 | 0.000 | 0.000 | |
16 | 687 | ALA | 0 | 0.013 | 0.004 | 6.347 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 | |
17 | 688 | GLY | 0 | 0.001 | 0.005 | 7.799 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 | |
18 | 689 | HIS | 1 | 0.798 | 0.898 | 9.483 | 1.103 | 1.103 | 0.000 | 0.000 | 0.000 | 0.000 | |
19 | 690 | ASP | -1 | -0.763 | -0.880 | 11.429 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 | |
20 | 691 | ASN | 0 | -0.087 | -0.073 | 12.518 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
21 | 692 | ASN | 0 | -0.024 | -0.004 | 15.652 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 | |
22 | 693 | GLN | 0 | 0.020 | 0.028 | 14.183 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 | |
23 | 694 | PRO | 0 | 0.046 | 0.012 | 17.053 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
24 | 695 | ASP | -1 | -0.780 | -0.857 | 13.455 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 | |
25 | 696 | SER | 0 | -0.010 | -0.008 | 12.810 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 | |
26 | 697 | PHE | 0 | -0.011 | -0.022 | 6.072 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 | |
27 | 698 | ALA | 0 | 0.059 | 0.030 | 8.171 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 | |
28 | 699 | ALA | 0 | 0.044 | 0.043 | 8.728 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 | |
29 | 700 | LEU | 0 | -0.050 | -0.037 | 7.732 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 | |
30 | 701 | LEU | 0 | -0.017 | -0.013 | 2.458 | -2.500 | -1.546 | 1.727 | -0.515 | -2.167 | 0.000 | |
31 | 702 | SER | 0 | 0.073 | 0.042 | 4.242 | -3.160 | -2.870 | 0.000 | -0.037 | -0.252 | 0.000 | |
32 | 703 | SER | 0 | 0.007 | 0.018 | 6.355 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 | |
33 | 704 | LEU | 0 | -0.019 | 0.001 | 2.205 | -3.862 | -0.586 | 3.164 | -1.072 | -5.368 | 0.002 | |
34 | 705 | ASN | 0 | 0.013 | 0.035 | 1.537 | -26.987 | -36.715 | 31.187 | -12.996 | -8.463 | -0.093 | |
35 | 706 | GLU | -1 | -0.732 | -0.826 | 3.364 | -1.405 | -1.601 | 0.025 | 0.560 | -0.390 | -0.001 | |
36 | 707 | LEU | 0 | -0.053 | -0.021 | 2.343 | -1.673 | 0.230 | 1.405 | -0.553 | -2.754 | 0.001 | |
37 | 708 | GLY | 0 | 0.007 | -0.005 | 2.464 | -2.079 | 0.047 | 1.317 | -1.394 | -2.050 | -0.001 | |
38 | 709 | GLU | -1 | -0.752 | -0.898 | 2.999 | -0.035 | -0.896 | 0.197 | 1.186 | -0.522 | -0.001 | |
39 | 710 | ARG | 1 | 0.759 | 0.853 | 6.539 | 2.594 | 2.594 | 0.000 | 0.000 | 0.000 | 0.000 | |
40 | 711 | GLN | 0 | 0.000 | -0.053 | 2.396 | 2.485 | 3.179 | 4.456 | -1.508 | -3.642 | -0.006 | |
41 | 712 | LEU | 0 | 0.034 | 0.030 | 5.698 | 0.763 | 0.763 | 0.000 | 0.000 | 0.000 | 0.000 | |
42 | 713 | VAL | 0 | 0.015 | 0.014 | 7.592 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 | |
43 | 714 | HIS | 1 | 0.855 | 0.918 | 8.349 | 0.628 | 0.628 | 0.000 | 0.000 | 0.000 | 0.000 | |
44 | 715 | VAL | 0 | 0.043 | 0.031 | 6.493 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 | |
45 | 716 | VAL | 0 | 0.025 | 0.013 | 9.507 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 | |
46 | 717 | LYS | 1 | 0.896 | 0.936 | 12.642 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 | |
47 | 718 | TRP | 0 | -0.004 | 0.003 | 11.617 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
48 | 719 | ALA | 0 | 0.057 | 0.020 | 13.229 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
49 | 720 | LYS | 1 | 0.894 | 0.937 | 14.829 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 | |
50 | 721 | ALA | 0 | 0.016 | 0.038 | 17.226 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
51 | 722 | LEU | 0 | 0.011 | 0.023 | 15.024 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 | |
52 | 723 | PRO | 0 | -0.028 | 0.010 | 19.109 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
53 | 724 | GLY | 0 | 0.107 | 0.033 | 22.152 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
54 | 725 | PHE | 0 | -0.011 | 0.020 | 16.722 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 | |
55 | 726 | ARG | 1 | 0.889 | 0.918 | 20.948 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 | |
56 | 727 | ASN | 0 | -0.073 | -0.038 | 23.908 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
57 | 728 | LEU | 0 | -0.024 | 0.007 | 19.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
58 | 729 | HIS | 1 | 0.913 | 0.972 | 23.795 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 | |
59 | 730 | VAL | 0 | 0.045 | 0.006 | 21.604 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
60 | 731 | ASP | -1 | -0.829 | -0.944 | 20.668 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 | |
61 | 732 | ASP | -1 | -0.720 | -0.833 | 19.673 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 | |
62 | 733 | GLN | 0 | -0.040 | -0.005 | 18.246 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
63 | 734 | MET | 0 | -0.003 | -0.007 | 15.817 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 | |
64 | 735 | ALA | 0 | 0.044 | 0.027 | 14.624 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 | |
65 | 736 | VAL | 0 | -0.010 | -0.009 | 14.426 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
66 | 737 | ILE | 0 | -0.027 | -0.010 | 10.639 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 | |
67 | 738 | GLN | 0 | 0.011 | -0.005 | 10.058 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 | |
68 | 739 | TYR | 0 | -0.016 | -0.006 | 10.168 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
69 | 740 | SER | 0 | -0.003 | 0.001 | 9.984 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 | |
70 | 741 | TRP | 0 | 0.060 | 0.032 | 2.533 | -2.156 | -0.184 | 0.741 | -0.361 | -2.352 | 0.001 | |
71 | 742 | MET | 0 | -0.020 | 0.015 | 2.151 | -3.324 | -2.119 | 4.152 | -0.810 | -4.547 | 0.002 | |
72 | 743 | GLY | 0 | 0.037 | 0.010 | 4.528 | -0.098 | 0.098 | 0.000 | -0.014 | -0.182 | 0.000 | |
73 | 744 | LEU | 0 | -0.021 | -0.011 | 6.888 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 | |
74 | 745 | MET | 0 | -0.058 | -0.006 | 2.308 | -2.102 | -1.935 | 6.592 | -1.276 | -5.483 | -0.002 | |
75 | 746 | VAL | 0 | 0.025 | 0.031 | 2.751 | 1.423 | 3.599 | 0.525 | -0.585 | -2.117 | -0.002 | |
76 | 747 | PHE | 0 | 0.016 | 0.000 | 3.844 | 0.828 | 1.037 | 0.003 | 0.009 | -0.220 | 0.000 | |
77 | 748 | ALA | 0 | -0.006 | -0.008 | 5.793 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 | |
78 | 749 | MET | 0 | -0.051 | 0.000 | 2.684 | -4.530 | -1.633 | 1.011 | -1.239 | -2.669 | 0.014 | |
79 | 750 | GLY | 0 | 0.059 | 0.014 | 4.661 | -1.387 | -1.350 | 0.000 | -0.018 | -0.018 | 0.000 | |
80 | 751 | TRP | 0 | 0.059 | 0.028 | 7.554 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 | |
81 | 752 | ARG | 1 | 0.828 | 0.911 | 2.430 | -14.280 | -13.583 | 1.489 | -0.666 | -1.521 | 0.010 | |
82 | 753 | SER | 0 | -0.009 | -0.001 | 7.198 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 | |
83 | 754 | PHE | 0 | -0.060 | -0.012 | 9.605 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 | |
84 | 755 | THR | 0 | -0.003 | -0.023 | 12.010 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 | |
85 | 756 | ASN | 0 | -0.067 | -0.015 | 10.866 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
86 | 757 | VAL | 0 | 0.000 | -0.007 | 11.536 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 | |
87 | 758 | ASN | 0 | -0.002 | 0.009 | 14.293 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 | |
88 | 759 | SER | 0 | 0.010 | -0.005 | 12.046 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 | |
89 | 760 | ARG | 1 | 0.953 | 0.985 | 13.121 | -0.640 | -0.640 | 0.000 | 0.000 | 0.000 | 0.000 | |
90 | 761 | MET | 0 | -0.055 | -0.030 | 11.605 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 | |
91 | 762 | LEU | 0 | 0.009 | 0.014 | 5.695 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 | |
92 | 763 | TYR | 0 | 0.050 | 0.025 | 7.202 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 | |
93 | 764 | PHE | 0 | 0.005 | -0.012 | 2.295 | -3.674 | -0.136 | 3.684 | -1.781 | -5.441 | 0.008 | |
94 | 765 | ALA | 0 | 0.067 | 0.041 | 3.875 | 1.613 | 2.155 | 0.007 | -0.069 | -0.481 | 0.000 | |
95 | 766 | PRO | 0 | -0.009 | 0.004 | 6.592 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 | |
96 | 767 | ASP | -1 | -0.686 | -0.826 | 9.355 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 | |
97 | 768 | LEU | 0 | -0.038 | -0.023 | 5.162 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 | |
98 | 769 | VAL | 0 | 0.043 | 0.023 | 7.438 | 0.729 | 0.729 | 0.000 | 0.000 | 0.000 | 0.000 | |
99 | 770 | PHE | 0 | -0.005 | -0.014 | 6.589 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 | |
100 | 771 | ASN | 0 | 0.111 | 0.048 | 10.031 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 | |
101 | 772 | GLU | -1 | -0.794 | -0.922 | 12.118 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 | |
102 | 773 | TYR | 0 | 0.039 | 0.075 | 13.680 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 | |
103 | 774 | ARG | 1 | 0.855 | 0.912 | 10.152 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 | |
104 | 775 | MET | 0 | -0.021 | 0.001 | 9.046 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 | |
105 | 776 | HIS | 1 | 0.926 | 0.974 | 9.674 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 | |
106 | 777 | LYS | 1 | 0.856 | 0.930 | 11.293 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 | |
107 | 778 | SER | 0 | 0.045 | 0.026 | 6.136 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
108 | 779 | ARG | 1 | 0.898 | 0.948 | 6.284 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 | |
109 | 780 | MET | 0 | 0.031 | 0.040 | 2.808 | -0.964 | -0.363 | 2.673 | -0.668 | -2.608 | 0.000 | |
110 | 781 | TYR | 0 | -0.016 | -0.013 | 6.793 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 | |
111 | 782 | SER | 0 | 0.033 | 0.016 | 9.798 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 | |
112 | 783 | GLN | 0 | 0.124 | 0.048 | 5.871 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
113 | 784 | CYS | 0 | -0.051 | -0.022 | 6.474 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 | |
114 | 785 | VAL | 0 | 0.052 | 0.025 | 7.591 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 | |
115 | 786 | ARG | 1 | 0.849 | 0.924 | 9.249 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 | |
116 | 787 | MET | 0 | 0.005 | 0.011 | 3.109 | -0.894 | 0.158 | 0.213 | -0.217 | -1.048 | 0.001 | |
117 | 788 | ARG | 1 | 0.928 | 0.959 | 7.480 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 | |
118 | 789 | HIS | 1 | 0.812 | 0.919 | 10.227 | -0.658 | -0.658 | 0.000 | 0.000 | 0.000 | 0.000 | |
119 | 790 | LEU | 0 | 0.019 | 0.014 | 7.972 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
120 | 791 | SER | 0 | 0.009 | 0.003 | 9.325 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 | |
121 | 792 | GLN | 0 | 0.008 | -0.004 | 11.112 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 | |
122 | 793 | GLU | -1 | -0.793 | -0.908 | 14.235 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 | |
123 | 794 | PHE | 0 | -0.051 | -0.016 | 9.988 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 | |
124 | 795 | GLY | 0 | 0.015 | 0.018 | 15.382 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
125 | 796 | TRP | 0 | -0.055 | -0.035 | 17.305 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 | |
126 | 797 | LEU | 0 | -0.020 | -0.010 | 17.926 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 | |
127 | 798 | GLN | 0 | -0.008 | -0.019 | 20.240 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 | |
128 | 799 | ILE | 0 | -0.076 | -0.010 | 16.140 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
129 | 800 | THR | 0 | -0.008 | -0.023 | 18.421 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
130 | 801 | PRO | 0 | 0.069 | 0.010 | 16.631 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
131 | 802 | GLN | 0 | 0.057 | 0.064 | 17.058 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
132 | 803 | GLU | -1 | -0.718 | -0.845 | 19.114 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 | |
133 | 804 | PHE | 0 | -0.032 | -0.009 | 9.909 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
134 | 805 | LEU | 0 | 0.019 | 0.027 | 14.145 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
135 | 806 | CYS | 0 | -0.031 | 0.140 | 15.861 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 | |
136 | 807 | MET | 0 | -0.002 | 0.008 | 14.572 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 | |
137 | 808 | LYS | 1 | 0.817 | 0.891 | 9.500 | -0.928 | -0.928 | 0.000 | 0.000 | 0.000 | 0.000 | |
138 | 809 | ALA | 0 | 0.022 | 0.000 | 12.642 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 | |
139 | 810 | LEU | 0 | 0.027 | 0.007 | 15.288 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 | |
140 | 811 | LEU | 0 | -0.049 | 0.002 | 9.566 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 | |
141 | 812 | LEU | 0 | -0.041 | 0.002 | 12.261 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 | |
142 | 813 | PHE | 0 | 0.000 | -0.003 | 13.314 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 | |
143 | 814 | SER | 0 | 0.017 | 0.006 | 14.234 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
144 | 815 | ILE | 0 | -0.022 | -0.013 | 11.786 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
145 | 816 | ILE | 0 | 0.020 | 0.030 | 15.293 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 | |
146 | 817 | PRO | 0 | 0.010 | 0.003 | 18.009 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
147 | 818 | VAL | 0 | -0.039 | -0.026 | 19.943 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
148 | 819 | ASP | -1 | -0.948 | -0.971 | 22.397 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
149 | 820 | GLY | 0 | -0.010 | -0.002 | 23.638 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
150 | 821 | LEU | 0 | -0.077 | -0.039 | 19.440 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
151 | 822 | LYS | 1 | 0.964 | 0.978 | 23.451 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 | |
152 | 823 | ASN | 0 | -0.161 | -0.091 | 25.290 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
153 | 824 | GLN | 0 | 0.064 | 0.030 | 23.045 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
154 | 825 | LYS | 1 | 1.007 | 1.004 | 25.912 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
155 | 826 | PHE | 0 | 0.062 | 0.030 | 26.078 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
156 | 827 | PHE | 0 | 0.005 | 0.006 | 18.291 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
157 | 828 | ASP | -1 | -0.792 | -0.868 | 23.202 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
158 | 829 | GLU | -1 | -0.913 | -0.953 | 25.377 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 | |
159 | 830 | LEU | 0 | 0.007 | 0.011 | 21.212 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
160 | 831 | ARG | 1 | 0.862 | 0.928 | 18.534 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 | |
161 | 832 | MET | 0 | -0.020 | -0.002 | 22.161 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 | |
162 | 833 | ASN | 0 | -0.007 | -0.012 | 25.292 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
163 | 834 | TYR | 0 | 0.055 | 0.010 | 19.225 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
164 | 835 | ILE | 0 | -0.005 | 0.003 | 21.832 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
165 | 836 | LYS | 1 | 0.968 | 0.988 | 23.180 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 | |
166 | 837 | GLU | -1 | -0.782 | -0.887 | 23.120 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 | |
167 | 838 | LEU | 0 | -0.010 | -0.027 | 19.585 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
168 | 839 | ASP | -1 | -0.865 | -0.949 | 22.774 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 | |
169 | 840 | ARG | 1 | 0.816 | 0.892 | 25.969 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 | |
170 | 841 | ILE | 0 | -0.023 | -0.005 | 21.410 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
171 | 842 | ILE | 0 | -0.002 | 0.016 | 23.241 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
172 | 843 | ALA | 0 | -0.013 | -0.013 | 26.190 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
173 | 844 | CYS | 0 | -0.078 | -0.029 | 26.709 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
174 | 845 | LYS | 1 | 0.854 | 0.920 | 25.866 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 | |
175 | 846 | ARG | 1 | 0.798 | 0.963 | 24.492 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 | |
176 | 847 | LYS | 1 | 1.010 | 1.025 | 31.796 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 | |
177 | 848 | ASN | 0 | 0.072 | -0.026 | 31.992 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
178 | 849 | PRO | 0 | 0.118 | 0.073 | 33.808 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
179 | 850 | THR | 0 | 0.019 | 0.018 | 32.752 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
180 | 851 | SER | 0 | 0.000 | -0.001 | 31.993 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
181 | 852 | CYS | 0 | -0.060 | 0.005 | 29.386 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
182 | 853 | SER | 0 | 0.034 | 0.038 | 28.492 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
183 | 854 | ARG | 1 | 0.973 | 0.970 | 28.016 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 | |
184 | 855 | ARG | 1 | 0.765 | 0.895 | 21.603 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 | |
185 | 856 | PHE | 0 | 0.105 | 0.046 | 23.678 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
186 | 857 | TYR | 0 | 0.003 | 0.026 | 23.206 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
187 | 858 | GLN | 0 | 0.031 | -0.001 | 21.746 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
188 | 859 | LEU | 0 | 0.001 | 0.002 | 18.625 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
189 | 860 | THR | 0 | 0.020 | 0.008 | 18.054 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
190 | 861 | LYS | 1 | 0.863 | 0.945 | 18.743 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 | |
191 | 862 | LEU | 0 | 0.060 | 0.049 | 13.834 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
192 | 863 | LEU | 0 | 0.036 | 0.018 | 13.548 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 | |
193 | 864 | ASP | -1 | -0.717 | -0.832 | 13.888 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 | |
194 | 865 | SER | 0 | -0.090 | -0.047 | 13.768 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
195 | 866 | VAL | 0 | 0.059 | 0.032 | 8.402 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 | |
196 | 867 | GLN | 0 | 0.001 | 0.007 | 9.387 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 | |
197 | 868 | PRO | 0 | 0.012 | 0.007 | 10.916 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
198 | 869 | ILE | 0 | 0.010 | 0.011 | 6.384 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
199 | 870 | ALA | 0 | 0.033 | 0.018 | 6.343 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
200 | 871 | ARG | 1 | 0.917 | 0.974 | 7.148 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 | |
201 | 872 | GLU | -1 | -0.896 | -0.956 | 8.030 | 0.610 | 0.610 | 0.000 | 0.000 | 0.000 | 0.000 | |
202 | 873 | LEU | 0 | -0.005 | -0.013 | 2.458 | -1.960 | -0.121 | 1.715 | -0.459 | -3.095 | 0.001 | |
203 | 874 | HIS | 0 | -0.007 | -0.004 | 3.918 | -0.107 | 0.419 | 0.005 | -0.155 | -0.376 | -0.001 | |
204 | 875 | GLN | 0 | 0.010 | -0.009 | 5.903 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 | |
205 | 876 | PHE | 0 | -0.008 | 0.014 | 2.420 | -1.188 | -0.291 | 1.082 | -0.301 | -1.679 | 0.000 | |
206 | 877 | THR | 0 | 0.009 | -0.020 | 1.817 | -11.736 | -14.269 | 14.134 | -4.964 | -6.638 | 0.024 | |
207 | 878 | PHE | 0 | 0.040 | 0.020 | 3.271 | -1.076 | -0.907 | 0.059 | 0.194 | -0.422 | 0.000 | |
208 | 879 | ASP | -1 | -0.793 | -0.853 | 7.081 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 | |
209 | 880 | LEU | 0 | -0.051 | -0.035 | 3.104 | -2.138 | -0.807 | 0.125 | -0.548 | -0.908 | 0.005 | |
210 | 881 | LEU | 0 | 0.004 | -0.004 | 6.264 | -0.679 | -0.679 | 0.000 | 0.000 | 0.000 | 0.000 | |
211 | 882 | ILE | 0 | -0.045 | -0.002 | 7.330 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 | |
212 | 883 | LYS | 1 | 0.938 | 0.956 | 8.912 | -0.612 | -0.612 | 0.000 | 0.000 | 0.000 | 0.000 | |
213 | 884 | SER | 0 | 0.012 | 0.017 | 7.707 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
214 | 885 | HIS | 1 | 0.961 | 0.954 | 9.375 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 | |
215 | 886 | MET | 0 | 0.006 | 0.022 | 12.755 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
216 | 887 | VAL | 0 | -0.089 | -0.030 | 8.939 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
217 | 888 | SER | 0 | -0.008 | -0.003 | 11.332 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 | |
218 | 889 | VAL | 0 | -0.029 | -0.005 | 4.957 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 | |
219 | 890 | ASP | -1 | -0.897 | -0.943 | 7.938 | -1.602 | -1.602 | 0.000 | 0.000 | 0.000 | 0.000 | |
220 | 891 | PHE | 0 | -0.066 | -0.048 | 3.251 | -3.335 | -2.238 | 0.070 | -0.374 | -0.793 | -0.001 | |
221 | 892 | PRO | 0 | -0.006 | 0.013 | 5.992 | 0.561 | 0.561 | 0.000 | 0.000 | 0.000 | 0.000 | |
222 | 893 | GLU | -1 | -0.901 | -0.954 | 8.718 | -1.257 | -1.257 | 0.000 | 0.000 | 0.000 | 0.000 | |
223 | 894 | MET | 0 | -0.009 | 0.011 | 9.501 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 | |
224 | 895 | MET | 0 | -0.025 | -0.017 | 2.284 | -1.232 | -0.311 | 1.492 | -0.310 | -2.103 | -0.001 | |
225 | 896 | ALA | 0 | -0.002 | 0.002 | 6.896 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 | |
226 | 897 | GLU | -1 | -0.841 | -0.869 | 8.779 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 | |
227 | 898 | ILE | 0 | 0.005 | -0.005 | 7.809 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 | |
228 | 899 | ILE | 0 | -0.027 | -0.023 | 3.169 | -0.163 | 0.266 | 0.026 | -0.071 | -0.384 | 0.000 | |
229 | 900 | SER | 0 | -0.008 | -0.017 | 7.487 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 | |
230 | 901 | VAL | 0 | -0.025 | -0.002 | 10.959 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 | |
231 | 902 | GLN | 0 | 0.014 | -0.017 | 10.716 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 | |
232 | 903 | VAL | 0 | 0.006 | 0.014 | 6.353 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 | |
233 | 904 | PRO | 0 | 0.040 | 0.024 | 9.845 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 | |
234 | 905 | LYS | 1 | 0.851 | 0.948 | 12.575 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 | |
235 | 906 | ILE | 0 | -0.006 | 0.004 | 10.069 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
236 | 907 | LEU | 0 | -0.059 | -0.019 | 8.840 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
237 | 908 | SER | 0 | -0.051 | -0.019 | 13.011 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
238 | 909 | GLY | 0 | 0.006 | 0.010 | 16.001 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
239 | 910 | LYS | 1 | 0.927 | 0.966 | 17.633 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 | |
240 | 911 | VAL | 0 | 0.021 | 0.032 | 14.720 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
241 | 912 | LYS | 1 | 0.899 | 0.941 | 15.873 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 | |
242 | 913 | PRO | 0 | 0.000 | 0.000 | 13.764 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
243 | 914 | ILE | 0 | -0.011 | 0.022 | 16.043 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
244 | 915 | TYR | 0 | -0.050 | -0.034 | 15.514 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 | |
245 | 916 | PHE | 0 | -0.003 | -0.015 | 18.733 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
246 | 917 | HIS | 1 | 0.785 | 0.903 | 21.098 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 | |
247 | 918 | WAT | 0 | -0.008 | -0.031 | 14.489 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
248 | 919 | WAT | 0 | -0.031 | -0.034 | 14.593 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
249 | 920 | WAT | 0 | 0.019 | 0.015 | 3.258 | 0.975 | 1.878 | 0.239 | -0.552 | -0.590 | 0.000 | |
250 | 921 | WAT | 0 | -0.025 | -0.047 | 5.101 | 0.712 | 0.745 | 0.000 | -0.001 | -0.033 | 0.000 | |
251 | 922 | WAT | 0 | 0.003 | 0.006 | 7.639 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 | |
252 | 923 | WAT | 0 | 0.000 | -0.011 | 15.149 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
253 | 924 | WAT | 0 | -0.023 | -0.030 | 24.043 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
254 | 925 | WAT | 0 | -0.052 | -0.053 | 27.648 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
255 | 926 | WAT | 0 | -0.060 | -0.069 | 20.804 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
256 | 927 | WAT | 0 | 0.022 | 0.022 | 12.302 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
257 | 928 | WAT | 0 | 0.011 | 0.013 | 8.920 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 | |
258 | 929 | WAT | 0 | 0.033 | 0.027 | 25.489 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
259 | 930 | WAT | 0 | 0.047 | 0.031 | 15.611 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
260 | 931 | WAT | 0 | 0.009 | 0.000 | 14.946 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
261 | 932 | WAT | 0 | -0.016 | -0.040 | 14.151 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 | |
262 | 933 | WAT | 0 | 0.035 | 0.020 | 13.708 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
263 | 934 | WAT | 0 | -0.074 | -0.069 | 17.462 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
264 | 935 | WAT | 0 | 0.005 | 0.002 | 21.310 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
265 | 936 | WAT | 0 | 0.007 | -0.009 | 7.529 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
266 | 937 | WAT | 0 | -0.021 | -0.008 | 18.637 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
267 | 938 | WAT | 0 | 0.035 | 0.025 | 26.667 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
268 | 939 | WAT | 0 | 0.033 | -0.006 | 10.943 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
269 | 940 | WAT | 0 | -0.034 | -0.021 | 5.812 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 | |
270 | 941 | WAT | 0 | -0.007 | -0.005 | 10.034 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 | |
271 | 942 | WAT | 0 | -0.033 | -0.026 | 21.416 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
272 | 943 | WAT | 0 | -0.024 | -0.033 | 18.153 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
273 | 944 | WAT | 0 | 0.003 | 0.003 | 11.304 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
274 | 945 | WAT | 0 | -0.044 | -0.061 | 9.279 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 | |
275 | 946 | WAT | 0 | 0.036 | 0.019 | 7.859 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 | |
276 | 947 | WAT | 0 | -0.013 | 0.001 | 11.200 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
277 | 948 | WAT | 0 | 0.038 | 0.036 | 6.951 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 | |
278 | 949 | WAT | 0 | 0.025 | 0.010 | 14.522 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
279 | 950 | WAT | 0 | 0.040 | 0.025 | 10.615 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 | |
280 | 951 | WAT | 0 | 0.041 | 0.020 | 12.393 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 | |
281 | 952 | WAT | 0 | 0.044 | 0.031 | 23.429 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
282 | 953 | WAT | 0 | -0.029 | -0.021 | 22.781 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
283 | 954 | WAT | 0 | 0.031 | 0.025 | 21.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
284 | 955 | WAT | 0 | 0.013 | 0.000 | 26.645 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
285 | 956 | WAT | 0 | 0.022 | 0.021 | 31.196 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
286 | 957 | WAT | 0 | -0.029 | -0.041 | 6.979 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 | |
287 | 958 | WAT | 0 | -0.028 | -0.038 | 12.915 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
288 | 959 | WAT | 0 | 0.000 | -0.027 | 29.923 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
289 | 960 | WAT | 0 | 0.024 | 0.028 | 27.974 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
290 | 961 | WAT | 0 | 0.003 | 0.042 | 20.044 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
291 | 962 | WAT | 0 | 0.032 | 0.013 | 11.387 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
292 | 963 | WAT | 0 | -0.013 | -0.012 | 29.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
293 | 964 | WAT | 0 | -0.003 | -0.012 | 26.796 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
294 | 965 | WAT | 0 | 0.008 | -0.004 | 14.402 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 | |
295 | 966 | WAT | 0 | 0.000 | 0.005 | 16.874 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
296 | 967 | WAT | 0 | -0.012 | -0.051 | 17.648 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
297 | 968 | WAT | 0 | -0.003 | -0.003 | 17.856 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
298 | 969 | WAT | 0 | -0.047 | -0.030 | 17.526 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
299 | 970 | WAT | 0 | -0.002 | -0.011 | 7.234 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 | |
300 | 971 | WAT | 0 | -0.002 | 0.015 | 9.682 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
301 | 972 | WAT | 0 | -0.052 | -0.065 | 20.728 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
302 | 973 | WAT | 0 | 0.001 | -0.015 | 19.514 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
303 | 974 | WAT | 0 | -0.042 | -0.041 | 16.268 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
304 | 975 | WAT | 0 | 0.025 | 0.023 | 11.376 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 | |
305 | 976 | WAT | 0 | 0.031 | 0.004 | 8.841 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 | |
306 | 977 | WAT | 0 | 0.000 | 0.008 | 16.543 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
307 | 978 | WAT | 0 | -0.025 | -0.006 | 12.689 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 | |
308 | 979 | WAT | 0 | -0.059 | -0.055 | 11.532 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
309 | 980 | WAT | 0 | -0.044 | -0.040 | 10.530 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 | |
310 | 981 | WAT | 0 | -0.047 | -0.037 | 17.144 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
311 | 982 | WAT | 0 | -0.026 | -0.029 | 6.366 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
312 | 983 | WAT | 0 | -0.037 | -0.017 | 28.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
313 | 984 | WAT | 0 | 0.075 | 0.095 | 5.098 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 | |
314 | 985 | WAT | 0 | -0.015 | -0.010 | 20.841 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
315 | 986 | WAT | 0 | 0.014 | 0.005 | 9.717 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
316 | 987 | WAT | 0 | 0.015 | 0.006 | 16.211 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
317 | 988 | WAT | 0 | 0.030 | 0.033 | 15.662 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
318 | 989 | WAT | 0 | 0.049 | 0.037 | 24.111 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
319 | 990 | WAT | 0 | 0.052 | 0.035 | 19.318 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
320 | 991 | WAT | 0 | -0.028 | -0.025 | 9.889 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 | |
321 | 992 | WAT | 0 | 0.047 | 0.025 | 9.317 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
322 | 993 | WAT | 0 | -0.014 | -0.017 | 12.539 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
323 | 994 | WAT | 0 | -0.013 | -0.015 | 6.245 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 | |
324 | 995 | WAT | 0 | 0.072 | 0.066 | 13.714 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
325 | 996 | WAT | 0 | -0.015 | -0.010 | 10.728 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
326 | 997 | WAT | 0 | -0.029 | -0.118 | 19.059 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
327 | 998 | WAT | 0 | -0.025 | -0.011 | 13.919 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
328 | 999 | WAT | 0 | 0.005 | 0.008 | 11.701 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 | |
329 | 1000 | WAT | 0 | -0.021 | -0.024 | 14.507 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
330 | 1001 | WAT | 0 | -0.019 | -0.029 | 34.780 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
331 | 1002 | WAT | 0 | -0.021 | -0.010 | 15.110 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
332 | 1003 | WAT | 0 | 0.036 | 0.021 | 25.859 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
333 | 1004 | WAT | 0 | -0.030 | -0.020 | 29.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
334 | 1005 | WAT | 0 | -0.016 | -0.025 | 20.016 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 | |
335 | 1006 | WAT | 0 | -0.036 | -0.037 | 17.027 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 | |
336 | 1007 | WAT | 0 | -0.032 | -0.018 | 12.658 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 | |
337 | 1008 | WAT | 0 | -0.033 | -0.034 | 13.187 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 | |
338 | 1009 | WAT | 0 | -0.055 | -0.063 | 14.242 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
339 | 1010 | WAT | 0 | 0.042 | 0.029 | 21.927 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
340 | 1011 | WAT | 0 | -0.014 | -0.007 | 29.397 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
341 | 1012 | WAT | 0 | -0.062 | -0.044 | 12.634 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
342 | 1013 | WAT | 0 | -0.015 | -0.009 | 9.873 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 | |
343 | 1014 | WAT | 0 | -0.047 | -0.042 | 8.358 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 | |
344 | 1015 | WAT | 0 | -0.032 | -0.026 | 14.994 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
345 | 1016 | WAT | 0 | -0.013 | -0.014 | 11.192 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
346 | 1017 | WAT | 0 | -0.013 | -0.018 | 10.985 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 | |
347 | 1018 | WAT | 0 | -0.014 | -0.022 | 13.747 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
348 | 1019 | WAT | 0 | -0.033 | -0.036 | 11.585 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 | |
349 | 1020 | WAT | 0 | 0.023 | 0.006 | 11.272 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 | |
350 | 1021 | WAT | 0 | 0.008 | 0.018 | 14.465 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
351 | 1022 | WAT | 0 | -0.026 | -0.011 | 11.078 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 | |
352 | 1023 | WAT | 0 | 0.015 | 0.005 | 23.585 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
353 | 1024 | WAT | 0 | 0.024 | 0.013 | 10.591 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 | |
354 | 1025 | WAT | 0 | 0.008 | -0.027 | 26.253 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
355 | 1026 | WAT | 0 | 0.025 | 0.038 | 29.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
356 | 1027 | WAT | 0 | -0.017 | -0.006 | 13.810 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
357 | 1028 | WAT | 0 | -0.016 | -0.013 | 12.524 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
358 | 1029 | WAT | 0 | -0.037 | -0.039 | 15.061 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 | |
359 | 1030 | WAT | 0 | 0.024 | 0.017 | 28.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
360 | 1031 | WAT | 0 | -0.033 | -0.052 | 23.119 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
361 | 1032 | WAT | 0 | -0.033 | -0.015 | 25.638 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
362 | 1033 | WAT | 0 | 0.056 | 0.003 | 29.991 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
363 | 1034 | WAT | 0 | 0.015 | 0.006 | 29.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
364 | 1035 | WAT | 0 | 0.045 | 0.032 | 16.275 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
365 | 1036 | WAT | 0 | 0.016 | -0.015 | 29.795 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
366 | 1037 | WAT | 0 | 0.021 | 0.005 | 15.068 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
367 | 1038 | WAT | 0 | 0.016 | 0.030 | 19.310 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
368 | 1039 | WAT | 0 | -0.036 | -0.021 | 26.011 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |