![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: XQNNY
Calculation Name: 2BLO-A-Xray29
Preferred Name: Elastase 1
Target Type: SINGLE PROTEIN
Ligand Name: sulfate ion
ligand 3-letter code: SO4
PDB ID: 2BLO
Chain ID: A
ChEMBL ID: CHEMBL3517
UniProt ID: P00772
Base Structure: X-ray
Registration Date: 2018-09-06
Reference:
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | Missing residues were capped by ACE, NME. Missing atoms were corrected by Structure prepareation by MOE. |
Water | Apo structure with with a 3 angstrom solvent shell. |
Procedure | Auto-FMO protocol ver. 1.20180227 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 445 |
LigandCharge | CA+=2,SO4=-2 |
Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
FMO2-HF: Electronic energy | -3908108.197184 |
---|---|
FMO2-HF: Nuclear repulsion | 3798423.652296 |
FMO2-HF: Total energy | -109684.544888 |
FMO2-MP2: Total energy | -109990.810838 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F002103/ligand_interaction/ligand_F002103.png)
Ligand Interaction
![ligand interaction](./Kdata/F002103/ligand_interaction/ligand_interaction_F002103.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. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:16:VAL)
Summations of interaction energy for
fragment #1(A:16:VAL)
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. |
-122.201 | -110.659 | 43.747 | -24.933 | -30.357 | -0.26 |
Interaction energy analysis for fragmet #1(A:16:VAL)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 18 | GLY | 0 | 0.046 | 0.018 | 2.998 | 2.433 | 4.366 | 0.283 | -0.824 | -1.392 | -0.002 |
4 | A | 19 | GLY | 0 | 0.019 | 0.009 | 2.629 | 2.731 | 3.746 | 0.761 | -0.668 | -1.108 | -0.003 |
5 | A | 20 | THR | 0 | -0.072 | 0.004 | 3.138 | 5.806 | 5.231 | 0.097 | 0.684 | -0.206 | 0.000 |
6 | A | 21 | GLU | -1 | -0.730 | -0.831 | 5.656 | -27.264 | -27.264 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 22 | ALA | 0 | -0.014 | 0.017 | 6.991 | 2.465 | 2.465 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 23 | GLN | 0 | -0.037 | -0.045 | 8.675 | 0.960 | 0.960 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 24 | ARG | 1 | 0.842 | 0.876 | 11.582 | 17.718 | 17.718 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 25 | ASN | 0 | -0.003 | 0.012 | 13.399 | -0.677 | -0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 26 | SER | 0 | -0.009 | 0.005 | 10.875 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 27 | TRP | 0 | -0.017 | -0.018 | 8.033 | 0.819 | 0.819 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 28 | PRO | 0 | 0.026 | 0.024 | 11.236 | -1.057 | -1.057 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 29 | SER | 0 | 0.032 | 0.043 | 13.288 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 30 | GLN | 0 | -0.023 | 0.015 | 6.950 | -1.534 | -1.534 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 31 | ILE | 0 | -0.013 | 0.006 | 10.835 | 1.145 | 1.145 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 32 | SER | 0 | 0.002 | -0.005 | 10.204 | -1.803 | -1.803 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 33 | LEU | 0 | 0.026 | 0.010 | 11.402 | 2.298 | 2.298 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 34 | GLN | 0 | 0.038 | 0.004 | 12.794 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 35 | TYR | 0 | 0.038 | 0.041 | 14.493 | 0.711 | 0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 36 | ARG | 1 | 0.934 | 0.982 | 17.955 | 12.979 | 12.979 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 36 | SER | 0 | 0.025 | 0.004 | 19.355 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 36 | GLY | 0 | 0.039 | 0.030 | 21.314 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 36 | SER | 0 | -0.034 | -0.014 | 24.508 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 37 | SER | 0 | -0.021 | -0.018 | 19.892 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 38 | TRP | 0 | 0.005 | -0.011 | 17.852 | 0.554 | 0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 39 | ALA | 0 | 0.051 | 0.043 | 14.584 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 40 | HIS | 0 | 0.011 | 0.015 | 7.201 | 3.485 | 3.485 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 41 | THR | 0 | 0.002 | -0.004 | 10.959 | -0.781 | -0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 58 | CYS | 0 | -0.099 | -0.020 | 8.884 | -2.340 | -2.340 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 43 | GLY | 0 | 0.032 | 0.028 | 8.173 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 44 | GLY | 0 | 0.023 | -0.001 | 8.988 | 2.142 | 2.142 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 45 | THR | 0 | -0.034 | -0.027 | 11.235 | -1.415 | -1.415 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 46 | LEU | 0 | -0.022 | 0.003 | 13.598 | 1.022 | 1.022 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 47 | ILE | 0 | 0.013 | 0.002 | 16.780 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 48 | ARG | 1 | 0.891 | 0.920 | 19.319 | 13.049 | 13.049 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 49 | GLN | 0 | -0.022 | -0.040 | 21.459 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 50 | ASN | 0 | 0.031 | 0.013 | 22.956 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 51 | TRP | 0 | 0.068 | 0.042 | 21.624 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 52 | VAL | 0 | -0.010 | -0.007 | 15.220 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 53 | MET | 0 | -0.006 | 0.014 | 14.336 | 0.883 | 0.883 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 54 | THR | 0 | 0.011 | -0.017 | 12.679 | -1.446 | -1.446 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 55 | ALA | 0 | 0.036 | 0.022 | 12.694 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 56 | ALA | 0 | -0.008 | 0.003 | 14.553 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 57 | HIS | 1 | 0.849 | 0.898 | 11.184 | 24.466 | 24.466 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 59 | VAL | 0 | -0.055 | -0.037 | 14.583 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 60 | ASP | -1 | -0.684 | -0.785 | 17.938 | -15.484 | -15.484 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 61 | ARG | 1 | 0.812 | 0.899 | 14.520 | 20.287 | 20.287 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 62 | GLU | -1 | -0.816 | -0.873 | 20.649 | -12.462 | -12.462 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 63 | LEU | 0 | -0.086 | -0.034 | 18.017 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 64 | THR | 0 | 0.029 | 0.027 | 21.957 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 65 | PHE | 0 | 0.056 | 0.013 | 16.546 | -0.776 | -0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 65 | ARG | 1 | 0.827 | 0.907 | 17.603 | 17.686 | 17.686 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 66 | VAL | 0 | 0.011 | 0.001 | 15.694 | -1.232 | -1.232 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 67 | VAL | 0 | -0.027 | -0.003 | 14.425 | 1.127 | 1.127 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 68 | VAL | 0 | 0.023 | 0.008 | 14.272 | -1.383 | -1.383 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 69 | GLY | 0 | 0.057 | 0.023 | 15.466 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 70 | GLU | -1 | -0.291 | -0.643 | 11.798 | -20.488 | -20.488 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 71 | HIS | 0 | 0.416 | 0.401 | 10.023 | -1.526 | -1.526 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 72 | ASN | 0 | 0.261 | 0.173 | 10.400 | -3.464 | -3.464 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 73 | LEU | 0 | 0.179 | 0.025 | 8.865 | 2.305 | 2.305 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 74 | ASN | 0 | 0.300 | 0.274 | 12.055 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 75 | GLN | 0 | 0.435 | 0.475 | 14.776 | 2.043 | 2.043 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 76 | ASN | 0 | 0.216 | 0.074 | 16.985 | -1.064 | -1.064 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 77 | ASP | -1 | -0.270 | -0.707 | 15.081 | -20.246 | -20.246 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 78 | GLY | 0 | 0.000 | 0.090 | 18.346 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 79 | THR | 0 | 0.066 | 0.072 | 17.301 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 80 | GLU | -1 | -0.288 | -0.637 | 16.703 | -16.785 | -16.785 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 81 | GLN | 0 | 0.020 | 0.073 | 18.717 | 1.340 | 1.340 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 82 | TYR | 0 | 0.096 | 0.078 | 17.866 | -1.135 | -1.135 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 83 | VAL | 0 | -0.050 | -0.028 | 19.990 | 0.843 | 0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 84 | GLY | 0 | 0.045 | 0.023 | 20.764 | -0.726 | -0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 85 | VAL | 0 | -0.019 | -0.009 | 19.430 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 86 | GLN | 0 | 0.009 | 0.026 | 22.537 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 87 | LYS | 1 | 0.881 | 0.929 | 24.785 | 10.922 | 10.922 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 88 | ILE | 0 | 0.048 | 0.034 | 21.181 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 89 | VAL | 0 | -0.017 | -0.001 | 23.065 | 0.584 | 0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 90 | VAL | 0 | 0.047 | 0.019 | 21.188 | -0.652 | -0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 91 | HIS | 0 | 0.006 | 0.018 | 21.813 | 0.663 | 0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 92 | PRO | 0 | -0.010 | -0.019 | 23.545 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 93 | TYR | 0 | -0.004 | -0.010 | 25.457 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 94 | TRP | 0 | -0.049 | -0.009 | 17.538 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 95 | ASN | 0 | 0.016 | 0.009 | 22.622 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 96 | THR | 0 | -0.022 | -0.043 | 19.505 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 97 | ASP | -1 | -0.801 | -0.863 | 20.200 | -14.265 | -14.265 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 98 | ASP | -1 | -0.783 | -0.889 | 21.991 | -12.820 | -12.820 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 99 | VAL | 0 | 0.062 | 0.034 | 15.551 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 99 | ALA | 0 | -0.022 | -0.009 | 18.764 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 99 | ALA | 0 | -0.004 | 0.027 | 20.075 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 100 | GLY | 0 | -0.013 | 0.010 | 19.079 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 101 | TYR | 0 | 0.015 | -0.009 | 20.144 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 102 | ASP | -1 | -0.713 | -0.797 | 14.823 | -20.470 | -20.470 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 103 | ILE | 0 | -0.079 | -0.034 | 15.828 | -1.186 | -1.186 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 104 | ALA | 0 | 0.037 | 0.016 | 17.545 | 0.964 | 0.964 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 105 | LEU | 0 | -0.041 | -0.008 | 18.235 | -0.753 | -0.753 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 106 | LEU | 0 | -0.004 | -0.003 | 16.798 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 107 | ARG | 1 | 0.859 | 0.932 | 20.904 | 10.675 | 10.675 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 108 | LEU | 0 | 0.006 | -0.011 | 19.405 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 109 | ALA | 0 | -0.004 | -0.001 | 23.413 | 0.564 | 0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 110 | GLN | 0 | 0.079 | 0.071 | 25.200 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 111 | SER | 0 | 0.023 | 0.016 | 24.670 | -0.482 | -0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 112 | VAL | 0 | -0.026 | 0.011 | 20.256 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 113 | THR | 0 | 0.015 | 0.016 | 23.479 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 114 | LEU | 0 | -0.006 | -0.008 | 20.988 | -0.605 | -0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 115 | ASN | 0 | 0.028 | -0.001 | 20.418 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 116 | SER | 0 | 0.057 | 0.035 | 19.347 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 117 | TYR | 0 | 0.009 | 0.017 | 16.204 | -0.701 | -0.701 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 118 | VAL | 0 | 0.011 | 0.017 | 15.902 | -1.157 | -1.157 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 119 | GLN | 0 | -0.009 | -0.014 | 16.986 | 1.115 | 1.115 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 120 | LEU | 0 | 0.002 | 0.012 | 17.121 | -0.874 | -0.874 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 121 | GLY | 0 | -0.011 | -0.010 | 15.828 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 122 | VAL | 0 | -0.026 | 0.002 | 16.582 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 123 | LEU | 0 | -0.002 | -0.002 | 17.000 | -0.900 | -0.900 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 124 | PRO | 0 | 0.000 | 0.016 | 17.523 | 0.737 | 0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 125 | ARG | 1 | 0.970 | 1.010 | 20.502 | 11.440 | 11.440 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 126 | ALA | 0 | 0.034 | -0.011 | 23.217 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 127 | GLY | 0 | 0.084 | 0.061 | 23.961 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 128 | THR | 0 | -0.042 | -0.010 | 20.859 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 129 | ILE | 0 | 0.017 | 0.024 | 20.510 | -0.795 | -0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 130 | LEU | 0 | -0.030 | -0.006 | 15.686 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 131 | ALA | 0 | 0.071 | 0.041 | 19.537 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 132 | ASN | 0 | 0.024 | 0.025 | 18.340 | -1.459 | -1.459 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 133 | ASN | 0 | 0.042 | 0.038 | 15.598 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 134 | SER | 0 | -0.016 | -0.010 | 16.093 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 135 | PRO | 0 | -0.009 | 0.012 | 13.258 | -1.330 | -1.330 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 201 | CYS | 0 | -0.008 | -0.010 | 10.244 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 137 | TYR | 0 | -0.005 | -0.019 | 6.105 | -0.881 | -0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 138 | ILE | 0 | -0.030 | 0.010 | 2.675 | 0.739 | 1.684 | 0.714 | -0.271 | -1.388 | 0.001 |
129 | A | 139 | THR | 0 | 0.000 | -0.019 | 2.978 | -1.364 | -0.723 | 0.092 | -0.225 | -0.509 | -0.001 |
130 | A | 140 | GLY | 0 | 0.070 | 0.026 | 3.015 | 1.808 | 2.509 | 0.295 | -0.257 | -0.738 | -0.001 |
131 | A | 141 | TRP | 0 | 0.864 | 0.897 | 3.010 | -8.440 | -7.552 | 0.253 | -0.400 | -0.741 | -0.005 |
132 | A | 142 | GLY | 0 | 0.031 | 0.023 | 2.977 | 5.238 | 6.024 | 0.135 | -0.339 | -0.582 | -0.002 |
133 | A | 143 | LEU | 0 | -0.028 | -0.028 | 2.622 | -16.467 | -14.250 | 1.436 | -1.956 | -1.697 | -0.023 |
134 | A | 144 | THR | 0 | -0.003 | -0.006 | 1.935 | -29.216 | -28.889 | 6.094 | -3.480 | -2.941 | -0.046 |
135 | A | 145 | ARG | 1 | 0.958 | 0.979 | 4.144 | 34.252 | 34.366 | -0.001 | -0.023 | -0.090 | 0.000 |
136 | A | 147 | THR | 0 | 0.049 | 0.030 | 6.444 | -1.584 | -1.584 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 148 | ASN | 0 | -0.055 | -0.032 | 8.186 | 1.445 | 1.445 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 149 | GLY | 0 | 0.000 | 0.022 | 7.864 | 2.593 | 2.593 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 150 | GLN | 0 | 0.006 | 0.004 | 7.689 | 3.054 | 3.054 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 151 | LEU | 0 | 0.039 | 0.027 | 5.640 | -7.210 | -7.210 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 152 | ALA | 0 | -0.016 | 0.020 | 4.119 | 4.683 | 4.768 | -0.001 | -0.019 | -0.065 | 0.000 |
142 | A | 153 | GLN | 0 | 0.041 | 0.029 | 5.921 | 3.743 | 3.743 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 154 | THR | 0 | -0.008 | 0.008 | 8.689 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 155 | LEU | 0 | -0.045 | 0.008 | 5.369 | -5.912 | -5.912 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 156 | GLN | 0 | 0.008 | 0.022 | 2.222 | 1.827 | 2.495 | 1.910 | -0.793 | -1.785 | -0.001 |
146 | A | 157 | GLN | 0 | 0.013 | 0.012 | 3.069 | -3.129 | -1.574 | 0.195 | -0.665 | -1.086 | -0.006 |
147 | A | 158 | ALA | 0 | 0.023 | 0.004 | 2.464 | -0.639 | -0.597 | 2.336 | -0.615 | -1.763 | -0.001 |
148 | A | 159 | TYR | 0 | -0.048 | -0.025 | 3.637 | 1.092 | 1.134 | 0.011 | 0.078 | -0.130 | 0.000 |
149 | A | 160 | LEU | 0 | -0.060 | -0.030 | 4.662 | -0.839 | -0.758 | -0.001 | -0.002 | -0.077 | 0.000 |
150 | A | 161 | PRO | 0 | 0.016 | 0.035 | 7.985 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 162 | THR | 0 | 0.033 | -0.006 | 11.767 | -0.662 | -0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 163 | VAL | 0 | -0.036 | -0.002 | 13.297 | 0.752 | 0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 164 | ASP | -1 | -0.750 | -0.848 | 15.714 | -13.538 | -13.538 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 165 | TYR | 0 | 0.072 | 0.030 | 18.943 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 166 | ALA | 0 | 0.012 | 0.029 | 20.834 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 167 | ILE | 0 | 0.024 | 0.028 | 18.736 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 182 | CYS | 0 | -0.061 | -0.001 | 12.912 | -1.579 | -1.579 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 169 | SER | 0 | 0.043 | 0.009 | 18.526 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 170 | SER | 0 | -0.027 | -0.020 | 21.375 | 0.663 | 0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 170 | SER | 0 | 0.049 | 0.012 | 21.956 | -0.610 | -0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 171 | SER | 0 | -0.001 | 0.021 | 21.547 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 171 | TYR | 0 | 0.016 | 0.021 | 15.797 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 172 | TRP | 0 | 0.019 | -0.005 | 12.355 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 173 | GLY | 0 | -0.002 | 0.016 | 18.607 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 174 | SER | 0 | 0.034 | 0.004 | 21.879 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 175 | THR | 0 | 0.015 | 0.016 | 17.900 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 176 | VAL | 0 | -0.006 | -0.007 | 16.751 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 177 | LYS | 1 | 0.825 | 0.895 | 19.497 | 14.594 | 14.594 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 178 | ASN | 0 | 0.057 | 0.016 | 19.961 | -0.943 | -0.943 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 179 | SER | 0 | 0.004 | 0.004 | 20.603 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 180 | MET | 0 | 0.005 | 0.034 | 15.848 | -0.750 | -0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 181 | VAL | 0 | -0.021 | -0.001 | 13.283 | 0.915 | 0.915 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 183 | ALA | 0 | 0.008 | -0.010 | 9.216 | 1.045 | 1.045 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 184 | GLY | 0 | 0.010 | 0.010 | 8.434 | -2.432 | -2.432 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 185 | GLY | 0 | 0.023 | 0.011 | 9.201 | 2.175 | 2.175 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 186 | ASP | -1 | -0.740 | -0.849 | 9.218 | -25.084 | -25.084 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 187 | GLY | 0 | 0.060 | 0.055 | 10.483 | 1.361 | 1.361 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 188 | VAL | 0 | -0.035 | -0.006 | 7.740 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 188 | ARG | 1 | 0.870 | 0.919 | 4.878 | 23.391 | 23.391 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 189 | SER | 0 | -0.015 | -0.033 | 3.582 | 5.993 | 6.338 | 0.002 | -0.113 | -0.233 | 0.000 |
181 | A | 190 | GLY | 0 | 0.054 | 0.032 | 2.337 | -18.177 | -15.856 | 3.700 | -2.977 | -3.044 | -0.034 |
182 | A | 220 | CYS | 0 | -0.109 | -0.009 | 2.806 | 12.184 | 13.187 | 0.081 | -0.297 | -0.787 | -0.003 |
183 | A | 192 | GLN | 0 | 0.161 | 0.070 | 4.273 | -6.369 | -6.214 | -0.001 | -0.017 | -0.137 | 0.000 |
184 | A | 193 | GLY | 0 | 0.084 | 0.050 | 5.287 | -6.504 | -6.504 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 194 | ASP | -1 | -0.801 | -0.895 | 1.785 | -124.147 | -125.165 | 14.863 | -7.269 | -6.577 | -0.090 |
186 | A | 195 | SER | 0 | 0.007 | -0.035 | 4.871 | 5.365 | 5.407 | -0.001 | -0.011 | -0.030 | 0.000 |
187 | A | 196 | GLY | 0 | 0.047 | 0.009 | 8.430 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 197 | GLY | 0 | -0.043 | -0.009 | 7.662 | 2.477 | 2.477 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 198 | PRO | 0 | -0.034 | 0.000 | 7.598 | 1.234 | 1.234 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 199 | LEU | 0 | 0.012 | 0.017 | 7.072 | -3.785 | -3.785 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 200 | HIS | 1 | 0.807 | 0.888 | 7.656 | 28.436 | 28.436 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 202 | LEU | 0 | -0.012 | 0.011 | 13.708 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 203 | VAL | 0 | 0.044 | 0.011 | 16.228 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 204 | ASN | 0 | -0.023 | -0.017 | 19.773 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 205 | GLY | 0 | 0.014 | 0.007 | 20.898 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 206 | GLN | 0 | -0.003 | 0.004 | 19.157 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 207 | TYR | 0 | 0.041 | 0.011 | 12.321 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 208 | ALA | 0 | -0.014 | 0.004 | 15.571 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 209 | VAL | 0 | -0.045 | -0.031 | 11.945 | -1.053 | -1.053 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 210 | HIS | 0 | 0.031 | 0.010 | 13.366 | 1.598 | 1.598 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 211 | GLY | 0 | 0.010 | 0.008 | 11.637 | 0.850 | 0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 212 | VAL | 0 | -0.014 | -0.002 | 10.993 | -0.914 | -0.914 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 213 | THR | 0 | -0.063 | -0.030 | 6.147 | 1.722 | 1.722 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 214 | SER | 0 | 0.002 | -0.010 | 9.019 | 0.753 | 0.753 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 215 | PHE | 0 | 0.064 | 0.020 | 11.037 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 216 | VAL | 0 | -0.003 | 0.002 | 6.821 | -1.022 | -1.022 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 217 | SER | 0 | 0.004 | -0.004 | 10.203 | 2.621 | 2.621 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 217 | ARG | 1 | 1.025 | 1.011 | 12.154 | 15.220 | 15.220 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 218 | LEU | 0 | -0.049 | -0.020 | 14.469 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 219 | GLY | 0 | 0.048 | 0.021 | 10.891 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 221 | ASN | 0 | 0.108 | 0.050 | 6.936 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 221 | VAL | 0 | 0.038 | 0.027 | 8.326 | 2.438 | 2.438 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 222 | THR | 0 | 0.041 | -0.004 | 11.937 | -0.746 | -0.746 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 223 | ARG | 1 | 0.888 | 0.954 | 14.041 | 15.601 | 15.601 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 224 | LYS | 1 | 0.816 | 0.909 | 12.707 | 18.269 | 18.269 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 225 | PRO | 0 | 0.061 | 0.031 | 10.395 | -2.031 | -2.031 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 226 | THR | 0 | 0.042 | 0.026 | 6.430 | -2.484 | -2.484 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 227 | VAL | 0 | 0.033 | 0.024 | 9.158 | 1.725 | 1.725 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 228 | PHE | 0 | -0.008 | -0.003 | 6.820 | -1.779 | -1.779 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 229 | THR | 0 | 0.014 | 0.001 | 11.912 | 1.410 | 1.410 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 230 | ARG | 1 | 0.758 | 0.844 | 14.470 | 12.878 | 12.878 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 231 | VAL | 0 | 0.041 | 0.006 | 14.834 | 0.937 | 0.937 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 232 | SER | 0 | -0.076 | -0.041 | 17.533 | 0.675 | 0.675 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 233 | ALA | 0 | 0.056 | 0.042 | 20.246 | 0.712 | 0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 234 | TYR | 0 | -0.011 | -0.010 | 19.500 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 235 | ILE | 0 | -0.020 | 0.002 | 21.085 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 236 | SER | 0 | 0.023 | 0.005 | 23.747 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 237 | TRP | 0 | -0.001 | 0.012 | 20.768 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 238 | ILE | 0 | 0.030 | -0.002 | 19.588 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 239 | ASN | 0 | -0.015 | -0.012 | 23.843 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 240 | ASN | 0 | 0.031 | 0.027 | 26.906 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 241 | VAL | 0 | 0.044 | 0.035 | 24.970 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 242 | ILE | 0 | -0.033 | -0.019 | 23.237 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 243 | ALA | 0 | -0.036 | -0.012 | 27.449 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 244 | SER | 0 | -0.076 | -0.018 | 30.365 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 245 | ASN | -1 | -0.863 | -0.911 | 28.556 | -10.111 | -10.111 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 1246 | CA+ | 2 | -3.177 | -1.669 | 15.730 | 39.432 | 39.432 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 1247 | SO4 | -2 | -1.667 | -1.787 | 24.333 | -23.712 | -23.712 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 1248 | SO4 | -2 | -1.628 | -1.718 | 8.435 | -63.638 | -63.638 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 2001 | HOH | 0 | -0.035 | -0.020 | 3.064 | 3.183 | 3.903 | 0.037 | -0.384 | -0.374 | -0.001 |
241 | A | 2003 | HOH | 0 | 0.013 | -0.004 | 4.937 | 0.729 | 0.729 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 2004 | HOH | 0 | -0.037 | -0.031 | 6.094 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 2005 | HOH | 0 | -0.043 | -0.051 | 8.043 | 0.823 | 0.823 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 2006 | HOH | 0 | -0.004 | -0.007 | 9.937 | -0.759 | -0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 2007 | HOH | 0 | -0.021 | -0.016 | 13.047 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 2008 | HOH | 0 | 0.001 | 0.001 | 10.268 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 2009 | HOH | 0 | 0.024 | 0.010 | 10.774 | -0.861 | -0.861 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 2010 | HOH | 0 | -0.047 | -0.034 | 13.143 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 2013 | HOH | 0 | -0.007 | -0.008 | 10.642 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 2016 | HOH | 0 | 0.013 | -0.005 | 12.824 | 0.517 | 0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 2017 | HOH | 0 | 0.022 | 0.025 | 17.004 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 2018 | HOH | 0 | 0.059 | 0.035 | 14.242 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 2019 | HOH | 0 | 0.022 | 0.017 | 19.558 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 2021 | HOH | 0 | -0.018 | -0.015 | 11.151 | -0.694 | -0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 2022 | HOH | 0 | 0.000 | -0.017 | 11.062 | -0.670 | -0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 2023 | HOH | 0 | 0.005 | -0.006 | 12.949 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 2025 | HOH | 0 | -0.003 | -0.004 | 13.858 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 2026 | HOH | 0 | -0.012 | -0.006 | 11.933 | 0.810 | 0.810 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 2027 | HOH | 0 | -0.018 | -0.032 | 13.294 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 2028 | HOH | 0 | -0.018 | -0.019 | 21.327 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 2029 | HOH | 0 | 0.003 | -0.001 | 21.647 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 2032 | HOH | 0 | -0.033 | -0.017 | 16.759 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 2035 | HOH | 0 | -0.047 | -0.032 | 11.825 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 2036 | HOH | 0 | 0.038 | 0.024 | 12.370 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 2037 | HOH | 0 | -0.013 | -0.001 | 13.547 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 2038 | HOH | 0 | 0.006 | -0.018 | 11.668 | 0.794 | 0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 2042 | HOH | 0 | 0.030 | 0.028 | 22.134 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 2044 | HOH | 0 | 0.035 | 0.030 | 27.898 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 2045 | HOH | 0 | 0.045 | 0.029 | 25.322 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 2046 | HOH | 0 | -0.023 | -0.017 | 26.749 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 2054 | HOH | 0 | -0.031 | -0.024 | 22.005 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 2055 | HOH | 0 | -0.027 | -0.030 | 19.792 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 2056 | HOH | 0 | 0.012 | 0.015 | 16.695 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 2058 | HOH | 0 | -0.059 | -0.030 | 23.300 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 2059 | HOH | 0 | -0.002 | -0.026 | 26.078 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 2060 | HOH | 0 | -0.016 | -0.006 | 25.664 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 2061 | HOH | 0 | 0.040 | 0.028 | 23.412 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 2063 | HOH | 0 | -0.059 | -0.042 | 23.266 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 2064 | HOH | 0 | -0.057 | -0.044 | 25.740 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 2065 | HOH | 0 | 0.032 | 0.023 | 23.100 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 2066 | HOH | 0 | -0.027 | -0.021 | 22.919 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 2067 | HOH | 0 | 0.024 | 0.021 | 22.753 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 2071 | HOH | 0 | 0.049 | -0.024 | 15.672 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 2072 | HOH | 0 | -0.002 | -0.019 | 10.335 | 0.849 | 0.849 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 2073 | HOH | 0 | 0.011 | -0.002 | 14.086 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 2075 | HOH | 0 | -0.009 | -0.003 | 14.707 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 2076 | HOH | 0 | -0.024 | -0.022 | 9.155 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 2077 | HOH | 0 | 0.020 | 0.014 | 13.012 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 2079 | HOH | 0 | 0.031 | 0.024 | 20.712 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 2080 | HOH | 0 | -0.023 | -0.019 | 21.130 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 2081 | HOH | 0 | -0.017 | -0.017 | 20.408 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 2083 | HOH | 0 | 0.021 | 0.003 | 16.339 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 2084 | HOH | 0 | -0.036 | -0.025 | 23.315 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 2085 | HOH | 0 | -0.006 | -0.005 | 15.147 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 2086 | HOH | 0 | 0.021 | 0.017 | 20.558 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 2088 | HOH | 0 | -0.012 | -0.018 | 23.879 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 2089 | HOH | 0 | 0.024 | 0.027 | 20.205 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 2090 | HOH | 0 | 0.033 | 0.022 | 23.476 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 2096 | HOH | 0 | -0.013 | -0.014 | 29.563 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 2098 | HOH | 0 | 0.027 | 0.019 | 26.751 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 2099 | HOH | 0 | -0.020 | -0.021 | 27.138 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 2100 | HOH | 0 | -0.005 | -0.008 | 25.229 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 2101 | HOH | 0 | 0.010 | 0.008 | 26.054 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 2102 | HOH | 0 | -0.011 | -0.015 | 26.359 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 2104 | HOH | 0 | -0.025 | -0.024 | 23.929 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 2106 | HOH | 0 | -0.007 | -0.005 | 19.401 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 2108 | HOH | 0 | -0.029 | -0.015 | 17.388 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 2109 | HOH | 0 | -0.056 | -0.045 | 23.062 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 2110 | HOH | 0 | -0.039 | -0.024 | 20.014 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 2111 | HOH | 0 | -0.046 | -0.038 | 26.516 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 2112 | HOH | 0 | -0.057 | -0.036 | 26.478 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 2113 | HOH | 0 | -0.014 | -0.008 | 24.055 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 2114 | HOH | 0 | -0.043 | -0.025 | 25.940 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 2115 | HOH | 0 | -0.029 | -0.024 | 24.278 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 2116 | HOH | 0 | 0.017 | 0.008 | 21.510 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 2117 | HOH | 0 | 0.006 | 0.008 | 27.080 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 2118 | HOH | 0 | -0.008 | 0.002 | 29.306 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 2119 | HOH | 0 | -0.037 | -0.031 | 29.540 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 2120 | HOH | 0 | -0.013 | -0.029 | 25.541 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 2121 | HOH | 0 | -0.013 | -0.021 | 27.590 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 2122 | HOH | 0 | -0.020 | -0.024 | 25.841 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 2123 | HOH | 0 | -0.021 | -0.022 | 28.376 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 2124 | HOH | 0 | -0.021 | -0.014 | 28.428 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 2126 | HOH | 0 | 0.035 | 0.021 | 26.448 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 2127 | HOH | 0 | -0.044 | -0.035 | 16.771 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 2128 | HOH | 0 | -0.003 | -0.006 | 19.630 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 2129 | HOH | 0 | -0.037 | -0.025 | 13.422 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 2130 | HOH | 0 | 0.001 | -0.010 | 21.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 2131 | HOH | 0 | 0.024 | 0.017 | 24.231 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 2132 | HOH | 0 | -0.014 | -0.011 | 19.696 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 2133 | HOH | 0 | -0.001 | -0.009 | 16.237 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 2134 | HOH | 0 | -0.055 | -0.041 | 19.821 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 2135 | HOH | 0 | 0.039 | 0.032 | 15.687 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 2137 | HOH | 0 | 0.039 | 0.021 | 21.657 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 2138 | HOH | 0 | -0.004 | -0.012 | 22.881 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 2140 | HOH | 0 | -0.043 | -0.027 | 26.715 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 2141 | HOH | 0 | -0.065 | -0.041 | 25.239 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 2142 | HOH | 0 | -0.020 | -0.021 | 23.744 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 2143 | HOH | 0 | -0.008 | -0.013 | 22.662 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 2144 | HOH | 0 | 0.041 | 0.028 | 17.384 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 2145 | HOH | 0 | 0.006 | 0.003 | 21.299 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 2146 | HOH | 0 | -0.014 | -0.019 | 20.872 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 2147 | HOH | 0 | -0.024 | -0.025 | 16.437 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 2148 | HOH | 0 | 0.010 | 0.012 | 21.753 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 2149 | HOH | 0 | -0.030 | -0.018 | 19.352 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 2150 | HOH | 0 | -0.032 | -0.027 | 15.009 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 2151 | HOH | 0 | 0.070 | 0.058 | 12.673 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 2152 | HOH | 0 | 0.019 | -0.004 | 5.238 | 1.029 | 1.029 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 2153 | HOH | 0 | -0.009 | -0.007 | 1.837 | -17.379 | -20.870 | 10.457 | -4.090 | -2.877 | -0.042 |
350 | A | 2154 | HOH | 0 | 0.027 | 0.020 | 8.176 | -0.840 | -0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 2155 | HOH | 0 | 0.001 | -0.004 | 6.054 | 0.765 | 0.765 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 2156 | HOH | 0 | 0.010 | 0.007 | 7.092 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 2158 | HOH | 0 | -0.030 | -0.023 | 10.314 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 2160 | HOH | 0 | 0.027 | 0.021 | 12.715 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 2162 | HOH | 0 | -0.035 | -0.024 | 10.539 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 2163 | HOH | 0 | -0.017 | -0.013 | 9.660 | 1.157 | 1.157 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 2164 | HOH | 0 | -0.029 | -0.042 | 12.272 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 2166 | HOH | 0 | 0.021 | 0.027 | 9.977 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 2167 | HOH | 0 | 0.037 | 0.024 | 9.908 | -1.539 | -1.539 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 2168 | HOH | 0 | -0.012 | -0.020 | 8.088 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 2169 | HOH | 0 | -0.019 | -0.017 | 9.122 | 1.380 | 1.380 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 2170 | HOH | 0 | -0.004 | -0.014 | 13.401 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 2171 | HOH | 0 | 0.041 | 0.027 | 8.223 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 2172 | HOH | 0 | -0.016 | -0.008 | 11.403 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 2173 | HOH | 0 | 0.012 | 0.017 | 10.020 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 2174 | HOH | 0 | -0.015 | -0.009 | 6.186 | 1.797 | 1.797 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 2175 | HOH | 0 | 0.000 | -0.007 | 7.876 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 2176 | HOH | 0 | -0.005 | -0.018 | 9.736 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 2177 | HOH | 0 | 0.024 | 0.016 | 11.067 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 2178 | HOH | 0 | 0.010 | 0.003 | 9.497 | -0.732 | -0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 2179 | HOH | 0 | -0.015 | -0.012 | 14.535 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 2180 | HOH | 0 | -0.033 | -0.039 | 7.963 | 0.955 | 0.955 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 2181 | HOH | 0 | 0.014 | 0.017 | 15.052 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 2182 | HOH | 0 | -0.006 | -0.005 | 17.730 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 2183 | HOH | 0 | -0.005 | -0.007 | 14.863 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 2184 | HOH | 0 | 0.015 | 0.009 | 16.745 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 2185 | HOH | 0 | -0.046 | -0.034 | 22.858 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 2186 | HOH | 0 | -0.013 | -0.005 | 23.616 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 2187 | HOH | 0 | -0.021 | -0.018 | 22.215 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 2188 | HOH | 0 | 0.002 | -0.007 | 20.347 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 2189 | HOH | 0 | 0.000 | -0.005 | 23.395 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 2190 | HOH | 0 | -0.057 | -0.043 | 24.454 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 2192 | HOH | 0 | -0.009 | -0.015 | 22.800 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 2193 | HOH | 0 | 0.005 | 0.010 | 22.428 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 2194 | HOH | 0 | -0.078 | -0.059 | 18.759 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 2195 | HOH | 0 | -0.047 | -0.039 | 19.900 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 2196 | HOH | 0 | -0.025 | -0.011 | 20.912 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 2197 | HOH | 0 | -0.004 | -0.004 | 22.462 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 2198 | HOH | 0 | -0.007 | -0.003 | 23.935 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 2199 | HOH | 0 | 0.033 | 0.023 | 24.739 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 2200 | HOH | 0 | 0.018 | 0.008 | 20.312 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 2201 | HOH | 0 | 0.004 | 0.010 | 22.583 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 2204 | HOH | 0 | 0.000 | -0.013 | 18.173 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 2205 | HOH | 0 | -0.005 | -0.024 | 18.091 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 2206 | HOH | 0 | -0.056 | -0.038 | 12.828 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 2207 | HOH | 0 | -0.034 | -0.025 | 13.425 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 2208 | HOH | 0 | -0.019 | -0.013 | 11.127 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 2209 | HOH | 0 | -0.031 | -0.024 | 13.277 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 2210 | HOH | 0 | -0.013 | -0.025 | 9.279 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 2211 | HOH | 0 | -0.015 | -0.012 | 11.612 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 2212 | HOH | 0 | -0.007 | -0.002 | 12.447 | 0.763 | 0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 2213 | HOH | 0 | 0.025 | 0.019 | 6.376 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 2215 | HOH | 0 | -0.046 | -0.053 | 7.423 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 2216 | HOH | 0 | -0.041 | -0.029 | 7.488 | 1.441 | 1.441 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 2217 | HOH | 0 | 0.025 | 0.022 | 7.592 | 0.912 | 0.912 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 2219 | HOH | 0 | -0.009 | 0.002 | 7.826 | 1.261 | 1.261 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 2220 | HOH | 0 | 0.011 | 0.001 | 8.237 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 2221 | HOH | 0 | -0.009 | -0.016 | 5.752 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 2222 | HOH | 0 | 0.019 | 0.015 | 11.720 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 2223 | HOH | 0 | 0.024 | 0.019 | 13.174 | -0.601 | -0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 2225 | HOH | 0 | -0.003 | -0.021 | 15.410 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 2226 | HOH | 0 | -0.022 | -0.018 | 18.116 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 2228 | HOH | 0 | 0.032 | 0.021 | 21.328 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 2230 | HOH | 0 | 0.017 | 0.017 | 17.421 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 2231 | HOH | 0 | -0.027 | -0.025 | 12.908 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 2232 | HOH | 0 | -0.014 | -0.014 | 17.927 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 2233 | HOH | 0 | -0.025 | -0.018 | 16.566 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 2234 | HOH | 0 | 0.015 | 0.006 | 19.903 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 2235 | HOH | 0 | -0.016 | -0.014 | 5.039 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 2236 | HOH | 0 | 0.002 | -0.002 | 15.773 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 2237 | HOH | 0 | -0.046 | -0.034 | 12.261 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 2239 | HOH | 0 | -0.007 | -0.004 | 9.737 | 0.733 | 0.733 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 2240 | HOH | 0 | -0.014 | -0.013 | 10.969 | -0.895 | -0.895 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 2241 | HOH | 0 | 0.023 | 0.013 | 19.712 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 2242 | HOH | 0 | -0.029 | -0.015 | 14.860 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 2243 | HOH | 0 | -0.009 | -0.019 | 13.339 | -0.684 | -0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 2245 | HOH | 0 | 0.009 | 0.004 | 8.485 | -0.821 | -0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 2246 | HOH | 0 | -0.053 | -0.043 | 11.436 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 2247 | HOH | 0 | 0.026 | 0.019 | 16.503 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 2248 | HOH | 0 | 0.001 | 0.000 | 13.895 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 2250 | HOH | 0 | -0.047 | 0.034 | 8.929 | -0.744 | -0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 2251 | HOH | 0 | 0.007 | 0.001 | 20.151 | -0.360 | -0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 2252 | HOH | 0 | -0.002 | -0.014 | 16.427 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 2253 | HOH | 0 | -0.011 | -0.010 | 24.579 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 2254 | HOH | 0 | -0.072 | -0.052 | 24.855 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 2255 | HOH | 0 | -0.009 | -0.013 | 18.479 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 2256 | HOH | 0 | 0.010 | 0.001 | 25.850 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 2259 | HOH | 0 | 0.028 | 0.016 | 26.487 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 2260 | HOH | 0 | -0.036 | -0.030 | 29.034 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 2261 | HOH | 0 | -0.020 | -0.021 | 31.612 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 2262 | HOH | 0 | -0.032 | -0.026 | 30.999 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 2263 | HOH | 0 | -0.017 | -0.021 | 8.584 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 2264 | HOH | 0 | 0.033 | 0.017 | 12.058 | 0.673 | 0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 2265 | HOH | 0 | 0.001 | -0.010 | 11.711 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 2266 | HOH | 0 | -0.042 | -0.050 | 9.887 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |