FMODB ID: M3VMZ
Calculation Name: 5TDA- -Xray331
Preferred Name:
Target Type:
Ligand Name: zinc ion
ligand 3-letter code: ZN
PDB ID: 5TDA
Chain ID:
UniProt ID: Q8IWV8
Base Structure: X-ray
Registration Date: 2022-07-14
Reference: Kyohei Imai, Daichi Takimoto, Ryosuke Saito, Chiduru Watanabe, Kaori Fukuzawa, Kurita Noriyuki, FMO calculations for zinc metalloprotease:Fragmentation of amino-acid residues coordinated to zinc ion, CBI J., 22, pp. 21-25, 2022.
DOI: 10.1273/cbij.22.21
Modeling method
Optimization | AMBER18 |
---|---|
Restraint | Optimized only hydrogen in crystal water |
Protonation | tleap only crystal water |
Complement | No |
Water | All crystal waters in PDB. |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G |
---|---|
Fragmentation | Manual |
Number of fragment | 172 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -727701.105626 |
---|---|
FMO2-HF: Nuclear repulsion | 681773.246501 |
FMO2-HF: Total energy | -45927.859125 |
FMO2-MP2: Total energy | -45999.492821 |
3D Structure
Ligand structure
MOL
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. |
-626.374 | -610.371 | 96.622 | -50.988 | -61.639 | 0.445 |
Interactive mode: IFIE and PIEDA for fragment #65(:74:MOL)
Summations of interaction energy for
fragment #65(:74:MOL)
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. |
-626.374 | -610.371 | 96.622 | -50.988 | -61.639 | -0.445 |
Interaction energy analysis for fragmet #65(:74:MOL)
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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4 | 76 | merge: :LE | -2 | -1.522 | -1.709 | 1.895 | -113.323 | -114.542 | 6.991 | -3.113 | -2.658 | -0.044 | |
8 | 8 | PHE | 0 | 0.011 | 0.038 | 3.517 | 4.491 | 5.445 | 0.017 | -0.222 | -0.749 | 0.000 | |
14 | 14 | THR | 0 | 0.039 | 0.048 | 2.542 | -3.171 | -2.874 | 0.390 | -0.146 | -0.541 | -0.001 | |
24 | 25 | THR | 0 | -0.051 | 0.002 | 2.443 | -10.854 | -6.735 | 2.209 | -2.244 | -4.085 | -0.025 | |
25 | 26 | CYS | 0 | 0.002 | 0.019 | 2.120 | -49.305 | -45.079 | 6.202 | -4.263 | -6.165 | -0.058 | |
26 | 27 | VAL | 0 | -0.057 | -0.037 | 2.109 | 19.239 | 19.830 | 4.609 | -0.854 | -4.346 | -0.003 | |
46 | 51 | GLY | 0 | 0.022 | 0.034 | 3.514 | 5.071 | 6.128 | 0.024 | -0.286 | -0.796 | 0.000 | |
47 | 52 | GLY | 0 | 0.043 | 0.031 | 2.552 | -6.184 | -3.852 | 2.852 | -2.018 | -3.167 | 0.007 | |
48 | 53 | PHE | 0 | -0.041 | -0.032 | 2.162 | -7.599 | -7.401 | 9.146 | -1.534 | -7.810 | -0.012 | |
49 | 55 | ASP | -1 | -0.764 | -0.910 | 1.840 | -207.836 | -209.968 | 21.736 | -10.056 | -9.548 | -0.142 | |
51 | 58 | ASP | -1 | -0.911 | -0.945 | 2.006 | -123.920 | -122.729 | 8.215 | -4.999 | -4.408 | -0.088 | |
54 | 61 | ALA | 0 | 0.029 | 0.015 | 2.783 | -6.308 | -5.601 | 0.741 | -0.449 | -0.999 | 0.002 | |
55 | 62 | TRP | 0 | -0.038 | -0.027 | 3.955 | 6.548 | 6.772 | 0.013 | -0.019 | -0.217 | 0.000 | |
87 | 99 | WAT | 0 | -0.006 | -0.022 | 2.201 | -14.471 | -12.172 | 2.920 | -2.744 | -2.476 | -0.033 | |
89 | 101 | WAT | 0 | 0.024 | 0.005 | 1.945 | -20.623 | -23.183 | 6.271 | -2.163 | -1.548 | -0.028 | |
92 | 104 | WAT | 0 | 0.008 | 0.026 | 2.691 | -4.916 | -3.872 | 1.406 | -1.154 | -1.297 | 0.011 | |
93 | 105 | WAT | 0 | 0.039 | 0.024 | 2.473 | -0.232 | 0.619 | 0.597 | -0.787 | -0.660 | -0.006 | |
96 | 108 | WAT | 0 | -0.007 | -0.022 | 2.598 | -1.495 | -0.849 | 0.603 | -0.599 | -0.650 | -0.006 | |
104 | 116 | WAT | 0 | -0.001 | -0.003 | 3.251 | -0.319 | 0.496 | 0.050 | -0.466 | -0.400 | -0.002 | |
111 | 123 | WAT | 0 | -0.013 | -0.027 | 2.527 | -0.576 | 0.429 | 0.661 | -0.866 | -0.799 | -0.006 | |
125 | 137 | WAT | 0 | -0.005 | -0.007 | 3.502 | -3.223 | -2.678 | 0.039 | -0.321 | -0.263 | -0.001 | |
128 | 140 | WAT | 0 | 0.013 | -0.011 | 3.113 | 1.478 | 1.754 | 0.014 | -0.113 | -0.178 | 0.000 | |
157 | 169 | WAT | 0 | 0.033 | 0.022 | 2.460 | -3.419 | -2.694 | 0.560 | -0.552 | -0.733 | -0.004 | |
168 | 180 | WAT | 0 | 0.017 | 0.002 | 1.683 | -11.522 | -13.856 | 10.325 | -4.843 | -3.148 | -0.009 | |
169 | 181 | WAT | 0 | -0.018 | -0.013 | 1.904 | -19.086 | -19.824 | 6.658 | -3.871 | -2.049 | 0.028 | |
170 | 182 | WAT | 0 | -0.023 | -0.024 | 2.171 | -11.622 | -12.253 | 3.173 | -1.392 | -1.149 | -0.021 | |
171 | 183 | WAT | 0 | -0.022 | -0.042 | 3.850 | -3.701 | -3.187 | 0.056 | -0.299 | -0.272 | 0.001 | |
172 | 184 | WAT | 0 | -0.007 | -0.002 | 2.600 | -3.398 | -2.397 | 0.144 | -0.615 | -0.528 | -0.005 | |
1 | 1 | ACE | 1 | -0.565 | -0.622 | 16.907 | 23.197 | 23.197 | 0.000 | 0.000 | 0.000 | 0.000 | |
2 | 2 | SER | -1 | 0.096 | 0.046 | 15.865 | -22.107 | -22.107 | 0.000 | 0.000 | 0.000 | 0.000 | |
3 | 3 | LEU | 0 | 0.439 | 0.598 | 9.668 | -0.540 | -0.540 | 0.000 | 0.000 | 0.000 | 0.000 | |
5 | 5 | GLY | 0 | 0.010 | 0.003 | 7.846 | 3.080 | 3.080 | 0.000 | 0.000 | 0.000 | 0.000 | |
6 | 6 | ARG | 1 | 0.855 | 0.947 | 8.338 | 32.116 | 32.116 | 0.000 | 0.000 | 0.000 | 0.000 | |
7 | 7 | VAL | 0 | -0.023 | -0.004 | 6.258 | -7.216 | -7.216 | 0.000 | 0.000 | 0.000 | 0.000 | |
9 | 9 | LYS | 1 | 0.945 | 0.977 | 7.231 | 24.207 | 24.207 | 0.000 | 0.000 | 0.000 | 0.000 | |
10 | 10 | VAL | 0 | 0.029 | 0.006 | 8.964 | -0.769 | -0.769 | 0.000 | 0.000 | 0.000 | 0.000 | |
11 | 11 | GLY | 0 | 0.043 | 0.035 | 9.989 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 | |
12 | 12 | GLU | -1 | -0.835 | -0.832 | 8.469 | -29.054 | -29.054 | 0.000 | 0.000 | 0.000 | 0.000 | |
13 | 13 | PRO | 0 | -0.019 | -0.016 | 7.868 | -1.191 | -1.191 | 0.000 | 0.000 | 0.000 | 0.000 | |
15 | 15 | TYR | 0 | 0.040 | 0.010 | 5.681 | 5.017 | 5.017 | 0.000 | 0.000 | 0.000 | 0.000 | |
16 | 16 | SER | 0 | -0.005 | 0.028 | 4.581 | -4.920 | -4.920 | 0.000 | 0.000 | 0.000 | 0.000 | |
17 | 77 | merge: :SE | 0 | 0.121 | 0.076 | 6.562 | 7.529 | 7.529 | 0.000 | 0.000 | 0.000 | 0.000 | |
18 | 18 | ARG | 1 | 0.882 | 0.926 | 9.448 | 19.782 | 19.782 | 0.000 | 0.000 | 0.000 | 0.000 | |
19 | 19 | ASP | -1 | -0.784 | -0.891 | 10.564 | -21.955 | -21.955 | 0.000 | 0.000 | 0.000 | 0.000 | |
20 | 21 | ALA | 0 | -0.025 | 0.007 | 7.193 | -2.924 | -2.924 | 0.000 | 0.000 | 0.000 | 0.000 | |
21 | 22 | VAL | 0 | 0.050 | 0.037 | 5.053 | 6.814 | 6.814 | 0.000 | 0.000 | 0.000 | 0.000 | |
22 | 23 | ASP | -1 | -0.781 | -0.851 | 4.342 | -67.865 | -67.865 | 0.000 | 0.000 | 0.000 | 0.000 | |
23 | 24 | PRO | 0 | -0.043 | -0.039 | 5.178 | -5.521 | -5.521 | 0.000 | 0.000 | 0.000 | 0.000 | |
27 | 28 | LEU | 0 | 0.010 | 0.018 | 4.699 | -8.733 | -8.733 | 0.000 | 0.000 | 0.000 | 0.000 | |
28 | 30 | MET | 0 | -0.039 | -0.034 | 8.896 | 1.520 | 1.520 | 0.000 | 0.000 | 0.000 | 0.000 | |
29 | 31 | GLU | -1 | -0.817 | -0.922 | 11.359 | -24.191 | -24.191 | 0.000 | 0.000 | 0.000 | 0.000 | |
30 | 33 | PHE | 0 | -0.027 | 0.000 | 10.266 | 0.845 | 0.845 | 0.000 | 0.000 | 0.000 | 0.000 | |
31 | 34 | LEU | 0 | 0.015 | -0.012 | 12.232 | 1.736 | 1.736 | 0.000 | 0.000 | 0.000 | 0.000 | |
32 | 35 | GLY | 0 | 0.007 | 0.018 | 15.340 | 2.073 | 2.073 | 0.000 | 0.000 | 0.000 | 0.000 | |
33 | 36 | SER | 0 | -0.026 | 0.013 | 13.696 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 | |
34 | 37 | ILE | 0 | 0.038 | 0.000 | 15.637 | 1.532 | 1.532 | 0.000 | 0.000 | 0.000 | 0.000 | |
35 | 39 | ARG | 1 | 0.902 | 0.989 | 14.639 | 20.287 | 20.287 | 0.000 | 0.000 | 0.000 | 0.000 | |
36 | 40 | ASP | -1 | -0.786 | -0.784 | 15.990 | -17.070 | -17.070 | 0.000 | 0.000 | 0.000 | 0.000 | |
37 | 42 | ARG | 1 | 0.905 | 0.965 | 13.909 | 21.456 | 21.456 | 0.000 | 0.000 | 0.000 | 0.000 | |
38 | 43 | TYR | 0 | -0.003 | 0.024 | 10.212 | -1.683 | -1.683 | 0.000 | 0.000 | 0.000 | 0.000 | |
39 | 44 | ARG | 1 | 0.843 | 0.938 | 5.269 | 25.372 | 25.372 | 0.000 | 0.000 | 0.000 | 0.000 | |
40 | 45 | MET | 0 | 0.024 | 0.039 | 6.877 | -2.787 | -2.787 | 0.000 | 0.000 | 0.000 | 0.000 | |
41 | 46 | THR | 0 | -0.056 | 0.003 | 4.119 | 2.273 | 2.273 | 0.000 | 0.000 | 0.000 | 0.000 | |
42 | 47 | THR | 0 | 0.049 | 0.012 | 6.578 | -1.320 | -1.320 | 0.000 | 0.000 | 0.000 | 0.000 | |
43 | 48 | SER | 0 | 0.006 | 0.036 | 4.862 | 2.622 | 2.622 | 0.000 | 0.000 | 0.000 | 0.000 | |
44 | 49 | GLY | 0 | 0.048 | -0.006 | 5.924 | 1.701 | 1.701 | 0.000 | 0.000 | 0.000 | 0.000 | |
45 | 50 | GLY | 0 | -0.021 | 0.016 | 5.891 | 2.592 | 2.592 | 0.000 | 0.000 | 0.000 | 0.000 | |
50 | 57 | GLY | 0 | 0.052 | 0.006 | 7.360 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 | |
52 | 59 | THR | 0 | -0.009 | -0.033 | 4.851 | -0.730 | -0.730 | 0.000 | 0.000 | 0.000 | 0.000 | |
53 | 60 | GLU | -1 | -0.864 | -0.850 | 4.114 | -36.168 | -36.168 | 0.000 | 0.000 | 0.000 | 0.000 | |
56 | 63 | LYS | 1 | 0.869 | 0.973 | 7.768 | 33.973 | 33.973 | 0.000 | 0.000 | 0.000 | 0.000 | |
57 | 64 | GLU | -1 | -0.726 | -0.823 | 10.709 | -20.264 | -20.264 | 0.000 | 0.000 | 0.000 | 0.000 | |
58 | 65 | GLY | 0 | -0.001 | -0.002 | 11.782 | -2.193 | -2.193 | 0.000 | 0.000 | 0.000 | 0.000 | |
59 | 66 | PRO | 0 | -0.005 | 0.006 | 8.916 | -2.305 | -2.305 | 0.000 | 0.000 | 0.000 | 0.000 | |
60 | 67 | TYR | 0 | 0.039 | 0.037 | 8.695 | -5.039 | -5.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
61 | 69 | GLN | 0 | 0.065 | 0.058 | 14.105 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 | |
62 | 70 | LYS | 1 | 0.893 | 0.957 | 15.733 | 22.864 | 22.864 | 0.000 | 0.000 | 0.000 | 0.000 | |
63 | 72 | GLU | -1 | -0.883 | -0.881 | 14.147 | -22.545 | -22.545 | 0.000 | 0.000 | 0.000 | 0.000 | |
64 | 73 | NME | 0 | -0.041 | 0.000 | 15.617 | 1.027 | 1.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
66 | 78 | WAT | 0 | -0.095 | -0.127 | 19.917 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 | |
67 | 79 | WAT | 0 | 0.027 | 0.010 | 11.751 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 | |
68 | 80 | WAT | 0 | -0.057 | -0.089 | 8.236 | -1.168 | -1.168 | 0.000 | 0.000 | 0.000 | 0.000 | |
69 | 81 | WAT | 0 | 0.120 | 0.102 | 6.708 | 2.172 | 2.172 | 0.000 | 0.000 | 0.000 | 0.000 | |
70 | 82 | WAT | 0 | -0.063 | -0.070 | 17.931 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 | |
71 | 83 | WAT | 0 | -0.048 | -0.074 | 10.448 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 | |
72 | 84 | WAT | 0 | -0.053 | -0.035 | 18.255 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 | |
73 | 85 | WAT | 0 | 0.022 | 0.041 | 12.649 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 | |
74 | 86 | WAT | 0 | -0.021 | 0.000 | 19.422 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 | |
75 | 87 | WAT | 0 | -0.067 | -0.061 | 20.581 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 | |
76 | 88 | WAT | 0 | 0.012 | -0.022 | 9.285 | 0.561 | 0.561 | 0.000 | 0.000 | 0.000 | 0.000 | |
77 | 89 | WAT | 0 | -0.047 | -0.047 | 15.668 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 | |
78 | 90 | WAT | 0 | -0.002 | -0.016 | 21.060 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 | |
79 | 91 | WAT | 0 | -0.057 | -0.043 | 14.866 | -1.013 | -1.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
80 | 92 | WAT | 0 | -0.003 | -0.015 | 10.473 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 | |
81 | 93 | WAT | 0 | -0.020 | -0.019 | 16.380 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 | |
82 | 94 | WAT | 0 | -0.041 | -0.045 | 21.365 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 | |
83 | 95 | WAT | 0 | 0.000 | 0.029 | 8.443 | 2.911 | 2.911 | 0.000 | 0.000 | 0.000 | 0.000 | |
84 | 96 | WAT | 0 | -0.037 | -0.035 | 16.388 | 0.589 | 0.589 | 0.000 | 0.000 | 0.000 | 0.000 | |
85 | 97 | WAT | 0 | -0.027 | -0.015 | 17.112 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 | |
86 | 98 | WAT | 0 | -0.034 | -0.034 | 5.446 | 2.379 | 2.379 | 0.000 | 0.000 | 0.000 | 0.000 | |
88 | 100 | WAT | 0 | -0.024 | -0.020 | 7.109 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 | |
90 | 102 | WAT | 0 | -0.042 | -0.032 | 6.406 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 | |
91 | 103 | WAT | 0 | -0.060 | -0.051 | 8.122 | 0.661 | 0.661 | 0.000 | 0.000 | 0.000 | 0.000 | |
94 | 106 | WAT | 0 | -0.006 | -0.006 | 8.174 | 1.558 | 1.558 | 0.000 | 0.000 | 0.000 | 0.000 | |
95 | 107 | WAT | 0 | -0.006 | -0.023 | 8.525 | 1.037 | 1.037 | 0.000 | 0.000 | 0.000 | 0.000 | |
97 | 109 | WAT | 0 | -0.001 | -0.008 | 14.034 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 | |
98 | 110 | WAT | 0 | -0.018 | -0.029 | 10.929 | 1.135 | 1.135 | 0.000 | 0.000 | 0.000 | 0.000 | |
99 | 111 | WAT | 0 | -0.003 | -0.006 | 6.396 | 4.179 | 4.179 | 0.000 | 0.000 | 0.000 | 0.000 | |
100 | 112 | WAT | 0 | -0.030 | -0.024 | 7.565 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 | |
101 | 113 | WAT | 0 | -0.028 | -0.048 | 14.931 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
102 | 114 | WAT | 0 | -0.002 | -0.019 | 15.822 | -0.780 | -0.780 | 0.000 | 0.000 | 0.000 | 0.000 | |
103 | 115 | WAT | 0 | -0.005 | -0.006 | 20.478 | -0.538 | -0.538 | 0.000 | 0.000 | 0.000 | 0.000 | |
105 | 117 | WAT | 0 | -0.063 | -0.052 | 9.320 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 | |
106 | 118 | WAT | 0 | -0.008 | 0.001 | 9.664 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 | |
107 | 119 | WAT | 0 | -0.020 | -0.020 | 12.704 | -1.335 | -1.335 | 0.000 | 0.000 | 0.000 | 0.000 | |
108 | 120 | WAT | 0 | -0.006 | -0.017 | 11.089 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 | |
109 | 121 | WAT | 0 | 0.022 | -0.011 | 9.215 | 0.984 | 0.984 | 0.000 | 0.000 | 0.000 | 0.000 | |
110 | 122 | WAT | 0 | 0.014 | 0.017 | 8.739 | 0.956 | 0.956 | 0.000 | 0.000 | 0.000 | 0.000 | |
112 | 124 | WAT | 0 | -0.032 | -0.023 | 13.967 | 0.909 | 0.909 | 0.000 | 0.000 | 0.000 | 0.000 | |
113 | 125 | WAT | 0 | 0.011 | 0.021 | 14.355 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 | |
114 | 126 | WAT | 0 | -0.009 | 0.002 | 17.412 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 | |
115 | 127 | WAT | 0 | 0.018 | -0.016 | 12.383 | -1.316 | -1.316 | 0.000 | 0.000 | 0.000 | 0.000 | |
116 | 128 | WAT | 0 | -0.086 | -0.086 | 4.787 | 4.306 | 4.306 | 0.000 | 0.000 | 0.000 | 0.000 | |
117 | 129 | WAT | 0 | -0.025 | -0.040 | 18.476 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 | |
118 | 130 | WAT | 0 | 0.010 | 0.010 | 8.910 | 1.600 | 1.600 | 0.000 | 0.000 | 0.000 | 0.000 | |
119 | 131 | WAT | 0 | 0.008 | 0.014 | 18.961 | 0.617 | 0.617 | 0.000 | 0.000 | 0.000 | 0.000 | |
120 | 132 | WAT | 0 | -0.008 | -0.008 | 14.137 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 | |
121 | 133 | WAT | 0 | 0.037 | 0.023 | 6.749 | 2.100 | 2.100 | 0.000 | 0.000 | 0.000 | 0.000 | |
122 | 134 | WAT | 0 | 0.017 | 0.007 | 10.467 | -0.896 | -0.896 | 0.000 | 0.000 | 0.000 | 0.000 | |
123 | 135 | WAT | 0 | -0.034 | -0.034 | 14.262 | -0.653 | -0.653 | 0.000 | 0.000 | 0.000 | 0.000 | |
124 | 136 | WAT | 0 | 0.008 | 0.001 | 16.257 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 | |
126 | 138 | WAT | 0 | 0.001 | -0.024 | 18.721 | -0.675 | -0.675 | 0.000 | 0.000 | 0.000 | 0.000 | |
127 | 139 | WAT | 0 | 0.013 | 0.004 | 8.163 | -0.965 | -0.965 | 0.000 | 0.000 | 0.000 | 0.000 | |
129 | 141 | WAT | 0 | -0.058 | -0.034 | 5.866 | 1.979 | 1.979 | 0.000 | 0.000 | 0.000 | 0.000 | |
130 | 142 | WAT | 0 | 0.026 | 0.013 | 7.533 | -1.178 | -1.178 | 0.000 | 0.000 | 0.000 | 0.000 | |
131 | 143 | WAT | 0 | 0.039 | 0.016 | 11.249 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 | |
132 | 144 | WAT | 0 | -0.038 | -0.025 | 16.598 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 | |
133 | 145 | WAT | 0 | -0.017 | -0.037 | 19.343 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 | |
134 | 146 | WAT | 0 | -0.095 | -0.074 | 13.538 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 | |
135 | 147 | WAT | 0 | -0.042 | -0.042 | 17.937 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 | |
136 | 148 | WAT | 0 | 0.006 | -0.016 | 13.632 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 | |
137 | 149 | WAT | 0 | -0.039 | -0.078 | 12.971 | -0.739 | -0.739 | 0.000 | 0.000 | 0.000 | 0.000 | |
138 | 150 | WAT | 0 | -0.036 | -0.034 | 20.663 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 | |
139 | 151 | WAT | 0 | -0.004 | -0.033 | 10.339 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 | |
140 | 152 | WAT | 0 | -0.004 | 0.004 | 12.608 | 0.650 | 0.650 | 0.000 | 0.000 | 0.000 | 0.000 | |
141 | 153 | WAT | 0 | -0.042 | -0.034 | 18.426 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 | |
142 | 154 | WAT | 0 | 0.037 | 0.079 | 13.590 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
143 | 155 | WAT | 0 | 0.027 | 0.018 | 16.924 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 | |
144 | 156 | WAT | 0 | -0.144 | -0.131 | 8.501 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 | |
145 | 157 | WAT | 0 | -0.003 | -0.025 | 11.182 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 | |
146 | 158 | WAT | 0 | 0.010 | 0.021 | 16.652 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 | |
147 | 159 | WAT | 0 | 0.034 | 0.027 | 10.479 | -0.650 | -0.650 | 0.000 | 0.000 | 0.000 | 0.000 | |
148 | 160 | WAT | 0 | -0.024 | -0.013 | 21.521 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 | |
149 | 161 | WAT | 0 | 0.040 | 0.046 | 20.948 | -0.633 | -0.633 | 0.000 | 0.000 | 0.000 | 0.000 | |
150 | 162 | WAT | 0 | -0.012 | 0.008 | 12.181 | 0.835 | 0.835 | 0.000 | 0.000 | 0.000 | 0.000 | |
151 | 163 | WAT | 0 | -0.027 | -0.017 | 15.574 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 | |
152 | 164 | WAT | 0 | -0.059 | -0.078 | 10.340 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 | |
153 | 165 | WAT | 0 | 0.026 | 0.022 | 12.210 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 | |
154 | 166 | WAT | 0 | 0.009 | 0.027 | 21.250 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 | |
155 | 167 | WAT | 0 | 0.040 | 0.061 | 5.647 | -6.317 | -6.317 | 0.000 | 0.000 | 0.000 | 0.000 | |
156 | 168 | WAT | 0 | 0.015 | 0.019 | 14.268 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 | |
158 | 170 | WAT | 0 | -0.031 | -0.037 | 13.466 | -0.563 | -0.563 | 0.000 | 0.000 | 0.000 | 0.000 | |
159 | 171 | WAT | 0 | 0.044 | 0.037 | 12.358 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 | |
160 | 172 | WAT | 0 | 0.030 | 0.033 | 11.253 | -0.876 | -0.876 | 0.000 | 0.000 | 0.000 | 0.000 | |
161 | 173 | WAT | 0 | -0.032 | -0.030 | 17.541 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
162 | 174 | WAT | 0 | -0.037 | -0.022 | 10.400 | 1.430 | 1.430 | 0.000 | 0.000 | 0.000 | 0.000 | |
163 | 175 | WAT | 0 | 0.014 | -0.023 | 14.068 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 | |
164 | 176 | WAT | 0 | -0.002 | -0.016 | 14.503 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 | |
165 | 177 | WAT | 0 | -0.038 | -0.021 | 23.305 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 | |
166 | 178 | WAT | 0 | -0.025 | -0.024 | 21.004 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 | |
167 | 179 | WAT | 0 | 0.013 | 0.006 | 7.161 | -2.117 | -2.117 | 0.000 | 0.000 | 0.000 | 0.000 |