![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 822KY
Calculation Name: 7DVY-AC-Xray89
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 7DVY
Chain ID: AC
Base Structure: X-ray
Registration Date: 2022-02-03
Reference: T. Ohyama, K. Kamisaka, C. Watanabe, T. Honma et. al., FMO-based interaction energy analysis of SARS-Cov-2 main protease and ligand complexes, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHLSideSolv |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | Waters within average of the temperature factors of receptor. |
Procedure | Auto-FMO protocol ver. 1.20200406 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 629 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 16 beta / 20190613 |
Total energy (hartree)
FMO2-HF: Electronic energy | -5886106.285701 |
---|---|
FMO2-HF: Nuclear repulsion | 5738350.002062 |
FMO2-HF: Total energy | -147756.283638 |
FMO2-MP2: Total energy | -148167.201058 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F016995/ligand_interaction/ligand_F016995.png)
Ligand Interaction
![ligand interaction](./Kdata/F016995/ligand_interaction/ligand_interaction_F016995.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:1:SER)
Summations of interaction energy for
fragment #1(A:1:SER)
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. |
-30.072 | -42.783 | 40.782 | -17.743 | -10.328 | -0.013 |
Interaction energy analysis for fragmet #1(A:1:SER)
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 | 3 | PHE | 0 | 0.035 | 0.018 | 3.773 | -1.271 | 0.633 | -0.020 | -1.031 | -0.853 | 0.005 |
4 | A | 4 | ARG | 1 | 0.903 | 0.947 | 6.694 | 2.891 | 2.891 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | LYS | 1 | 0.926 | 0.971 | 9.952 | 0.911 | 0.911 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | MET | 0 | -0.035 | 0.005 | 7.990 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ALA | 0 | 0.028 | 0.014 | 12.922 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | PHE | 0 | -0.012 | -0.021 | 15.118 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | PRO | 0 | 0.007 | -0.008 | 15.768 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | SER | 0 | 0.021 | -0.014 | 18.357 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | GLY | 0 | 0.013 | 0.020 | 21.845 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | LYS | 1 | 0.815 | 0.896 | 22.276 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | VAL | 0 | 0.038 | 0.027 | 24.740 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLU | -1 | -0.760 | -0.835 | 23.866 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLY | 0 | -0.071 | -0.018 | 27.873 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | CYS | 0 | -0.033 | -0.025 | 29.717 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | MET | 0 | -0.034 | 0.021 | 29.815 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | VAL | 0 | -0.015 | -0.007 | 32.710 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | GLN | 0 | 0.019 | 0.032 | 36.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | VAL | 0 | -0.003 | -0.005 | 38.741 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | THR | 0 | -0.004 | -0.015 | 41.579 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | CYS | 0 | -0.069 | -0.030 | 44.569 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLY | 0 | 0.038 | 0.033 | 47.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | THR | 0 | 0.009 | -0.007 | 48.359 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | THR | 0 | -0.035 | -0.005 | 43.689 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | THR | 0 | -0.014 | -0.010 | 40.416 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | LEU | 0 | -0.003 | -0.001 | 38.009 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ASN | 0 | -0.030 | -0.015 | 34.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | GLY | 0 | 0.029 | 0.005 | 36.162 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | -0.018 | -0.007 | 30.769 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | TRP | 0 | -0.029 | -0.026 | 34.540 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | LEU | 0 | 0.024 | 0.010 | 31.694 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | ASP | -1 | -0.723 | -0.838 | 35.743 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ASP | -1 | -0.850 | -0.899 | 38.320 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | VAL | 0 | -0.019 | -0.008 | 39.818 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | VAL | 0 | -0.003 | 0.000 | 38.285 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | TYR | 0 | -0.017 | -0.010 | 36.385 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | CYS | 0 | 0.009 | 0.002 | 37.245 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PRO | 0 | 0.057 | 0.030 | 37.001 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ARG | 1 | 0.829 | 0.877 | 39.689 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ALA | 0 | 0.011 | 0.003 | 41.513 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | VAL | 0 | 0.011 | 0.008 | 42.322 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ILE | 0 | -0.025 | -0.004 | 44.003 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | CYS | 0 | -0.069 | -0.004 | 46.376 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | THR | 0 | 0.021 | 0.003 | 47.425 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | SER | 0 | 0.022 | -0.017 | 48.213 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | GLU | -1 | -0.826 | -0.902 | 49.241 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ASP | -1 | -0.740 | -0.792 | 50.107 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | MET | 0 | -0.030 | -0.008 | 44.292 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | LEU | 0 | -0.001 | 0.024 | 47.533 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ASN | 0 | -0.021 | -0.016 | 49.630 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | PRO | 0 | 0.019 | 0.054 | 47.537 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ASN | 0 | 0.062 | 0.035 | 50.748 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | TYR | 0 | 0.053 | -0.022 | 44.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLU | -1 | -0.858 | -0.920 | 50.185 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ASP | -1 | -0.794 | -0.837 | 52.476 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | LEU | 0 | -0.035 | -0.016 | 50.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | LEU | 0 | 0.019 | 0.013 | 48.669 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ILE | 0 | -0.021 | 0.013 | 51.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ARG | 1 | 0.799 | 0.898 | 55.374 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | LYS | 1 | 0.832 | 0.938 | 50.939 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | SER | 0 | 0.018 | -0.001 | 53.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASN | 0 | 0.028 | 0.004 | 50.779 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | HIS | 0 | 0.023 | 0.026 | 50.406 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ASN | 0 | -0.019 | -0.020 | 51.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | PHE | 0 | 0.029 | 0.029 | 45.898 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | LEU | 0 | 0.032 | 0.022 | 46.238 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | VAL | 0 | 0.014 | 0.018 | 40.922 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLN | 0 | 0.023 | 0.028 | 41.228 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ALA | 0 | 0.045 | 0.018 | 37.716 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLY | 0 | 0.021 | 0.014 | 37.276 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASN | 0 | 0.000 | -0.001 | 37.905 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | VAL | 0 | -0.024 | 0.008 | 40.850 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLN | 0 | 0.022 | 0.034 | 42.151 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LEU | 0 | -0.003 | -0.002 | 39.989 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ARG | 1 | 0.913 | 0.954 | 44.598 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | VAL | 0 | 0.015 | 0.013 | 45.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | ILE | 0 | -0.041 | -0.038 | 47.850 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | GLY | 0 | 0.032 | 0.032 | 48.747 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | HIS | 1 | 0.805 | 0.898 | 47.251 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | SER | 0 | -0.007 | 0.006 | 46.688 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | MET | 0 | 0.008 | 0.029 | 45.372 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLN | 0 | 0.020 | 0.021 | 40.978 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ASN | 0 | -0.045 | -0.001 | 41.431 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | CYS | 0 | 0.017 | 0.020 | 40.229 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | VAL | 0 | 0.013 | 0.017 | 37.536 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | LEU | 0 | -0.029 | -0.022 | 40.928 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LYS | 1 | 0.851 | 0.937 | 40.877 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | 0.004 | 0.002 | 42.473 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | LYS | 1 | 0.945 | 0.992 | 43.228 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | VAL | 0 | 0.018 | 0.015 | 41.860 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ASP | -1 | -0.825 | -0.907 | 45.123 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | -0.017 | 0.008 | 41.470 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | ALA | 0 | 0.019 | -0.001 | 40.099 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASN | 0 | -0.009 | -0.006 | 33.741 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | PRO | 0 | 0.044 | 0.036 | 36.226 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | LYS | 1 | 0.931 | 0.966 | 31.229 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | THR | 0 | -0.001 | 0.012 | 31.088 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | PRO | 0 | 0.003 | 0.018 | 27.758 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LYS | 1 | 0.959 | 0.971 | 28.267 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | TYR | 0 | -0.035 | -0.033 | 28.297 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | LYS | 1 | 0.875 | 0.938 | 26.306 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | PHE | 0 | -0.017 | 0.009 | 30.046 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | VAL | 0 | 0.007 | 0.016 | 27.117 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ARG | 1 | 0.854 | 0.909 | 30.357 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ILE | 0 | -0.009 | 0.002 | 25.474 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLN | 0 | 0.045 | 0.025 | 27.005 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | PRO | 0 | -0.006 | 0.003 | 26.504 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | GLY | 0 | 0.085 | 0.048 | 23.816 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLN | 0 | -0.046 | 0.012 | 21.622 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | THR | 0 | -0.004 | -0.022 | 17.744 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | PHE | 0 | -0.027 | -0.004 | 20.826 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | SER | 0 | 0.024 | 0.022 | 18.748 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | VAL | 0 | 0.026 | 0.020 | 20.940 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | LEU | 0 | 0.004 | 0.006 | 23.167 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ALA | 0 | 0.062 | 0.053 | 25.217 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | CYS | 0 | -0.085 | -0.026 | 27.518 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | TYR | 0 | 0.027 | 0.003 | 30.015 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ASN | 0 | 0.053 | 0.041 | 33.879 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | GLY | 0 | 0.049 | 0.039 | 34.702 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | SER | 0 | -0.052 | -0.023 | 32.328 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | PRO | 0 | -0.004 | -0.011 | 27.099 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | SER | 0 | 0.013 | 0.029 | 27.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | GLY | 0 | 0.016 | 0.013 | 23.650 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | VAL | 0 | -0.008 | -0.001 | 18.960 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | TYR | 0 | 0.013 | 0.014 | 18.958 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLN | 0 | 0.013 | 0.011 | 16.312 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | CYS | 0 | -0.030 | -0.002 | 18.950 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ALA | 0 | 0.036 | 0.023 | 20.790 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | MET | 0 | -0.030 | 0.016 | 22.429 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ARG | 1 | 0.755 | 0.854 | 22.874 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | PRO | 0 | 0.009 | 0.017 | 26.164 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ASN | 0 | -0.022 | 0.003 | 29.222 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | PHE | 0 | -0.012 | -0.006 | 30.682 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | THR | 0 | 0.016 | 0.012 | 30.702 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ILE | 0 | -0.001 | -0.006 | 26.277 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LYS | 1 | 0.918 | 0.962 | 24.307 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLY | 0 | 0.041 | 0.031 | 24.797 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | SER | 0 | 0.003 | -0.006 | 25.727 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | PHE | 0 | -0.024 | -0.018 | 27.521 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | LEU | 0 | 0.065 | 0.047 | 30.710 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ASN | 0 | 0.066 | 0.037 | 33.860 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLY | 0 | -0.001 | 0.016 | 36.422 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | SER | 0 | 0.021 | 0.019 | 31.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | CYS | 0 | -0.069 | -0.010 | 33.157 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | GLY | 0 | 0.072 | 0.015 | 34.709 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | SER | 0 | -0.064 | -0.029 | 29.191 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | VAL | 0 | -0.001 | -0.012 | 27.824 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | GLY | 0 | -0.024 | -0.017 | 25.396 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | PHE | 0 | -0.024 | -0.033 | 21.242 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASN | 0 | 0.044 | 0.024 | 20.305 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ILE | 0 | -0.022 | 0.001 | 19.739 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ASP | -1 | -0.769 | -0.843 | 19.444 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | TYR | 0 | 0.041 | 0.025 | 20.009 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | ASP | -1 | -0.815 | -0.875 | 21.150 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | CYS | 0 | -0.058 | -0.010 | 23.736 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | VAL | 0 | 0.003 | 0.002 | 24.214 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | SER | 0 | 0.002 | 0.014 | 24.881 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | PHE | 0 | 0.045 | 0.009 | 25.928 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | CYS | 0 | 0.018 | 0.013 | 26.189 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | TYR | 0 | -0.013 | 0.018 | 27.995 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | MET | 0 | 0.006 | 0.015 | 29.867 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | HIS | 0 | 0.018 | 0.004 | 30.852 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | HIS | 0 | -0.014 | -0.005 | 32.733 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | MET | 0 | -0.028 | -0.009 | 35.367 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLU | -1 | -0.742 | -0.828 | 33.885 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LEU | 0 | 0.003 | -0.010 | 35.131 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | PRO | 0 | 0.012 | 0.003 | 36.524 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | THR | 0 | -0.042 | -0.023 | 34.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | GLY | 0 | 0.036 | 0.031 | 33.102 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | VAL | 0 | -0.049 | 0.007 | 30.038 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | HIS | 0 | -0.058 | -0.041 | 29.995 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ALA | 0 | 0.041 | 0.016 | 31.692 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLY | 0 | 0.026 | -0.003 | 33.387 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | THR | 0 | -0.031 | -0.001 | 34.221 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | ASP | -1 | -0.729 | -0.818 | 32.569 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | LEU | 0 | 0.022 | -0.001 | 30.999 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | GLU | -1 | -0.818 | -0.832 | 34.685 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | 0.014 | 0.006 | 37.079 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ASN | 0 | -0.001 | 0.004 | 37.717 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | PHE | 0 | 0.042 | -0.003 | 36.492 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | TYR | 0 | -0.061 | -0.020 | 30.419 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLY | 0 | 0.057 | 0.022 | 34.547 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | PRO | 0 | -0.039 | 0.010 | 36.254 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | PHE | 0 | 0.002 | 0.001 | 34.668 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | VAL | 0 | 0.023 | 0.024 | 40.099 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ASP | -1 | -0.699 | -0.779 | 41.109 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ARG | 1 | 0.890 | 0.945 | 42.525 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | GLN | 0 | 0.039 | 0.027 | 43.470 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | THR | 0 | 0.008 | 0.000 | 44.672 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ALA | 0 | 0.025 | 0.006 | 43.894 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | GLN | 0 | -0.008 | 0.015 | 40.941 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ALA | 0 | 0.006 | 0.012 | 38.954 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ALA | 0 | -0.008 | 0.012 | 34.718 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLY | 0 | 0.022 | 0.021 | 36.561 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | THR | 0 | 0.023 | 0.018 | 34.921 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ASP | -1 | -0.708 | -0.821 | 28.236 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | THR | 0 | -0.016 | 0.011 | 28.654 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | THR | 0 | -0.004 | -0.005 | 23.135 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ILE | 0 | -0.048 | -0.010 | 22.058 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | THR | 0 | 0.031 | -0.020 | 21.602 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | VAL | 0 | 0.023 | 0.009 | 20.088 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | ASN | 0 | 0.019 | 0.020 | 17.989 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | VAL | 0 | -0.022 | 0.011 | 16.702 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | LEU | 0 | -0.004 | -0.003 | 16.545 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ALA | 0 | 0.028 | 0.019 | 14.681 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | TRP | 0 | -0.015 | -0.009 | 12.116 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | LEU | 0 | 0.005 | -0.004 | 11.816 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | TYR | 0 | -0.002 | -0.028 | 12.354 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ALA | 0 | 0.039 | 0.018 | 8.321 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ALA | 0 | 0.002 | -0.002 | 7.441 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | VAL | 0 | -0.020 | 0.007 | 8.230 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ILE | 0 | -0.053 | -0.017 | 5.382 | 0.529 | 0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ASN | 0 | -0.041 | -0.027 | 2.964 | -2.321 | -0.513 | 0.305 | -0.935 | -1.179 | -0.008 |
215 | A | 215 | GLY | 0 | 0.033 | 0.034 | 5.106 | 0.101 | 0.141 | -0.001 | -0.001 | -0.038 | 0.000 |
216 | A | 216 | ASP | -1 | -0.817 | -0.894 | 7.614 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ARG | 1 | 0.886 | 0.910 | 10.113 | -1.058 | -1.058 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | TRP | 0 | -0.044 | -0.029 | 13.262 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | PHE | 0 | 0.008 | 0.008 | 12.654 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LEU | 0 | -0.021 | 0.022 | 14.840 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ASN | 0 | 0.001 | -0.002 | 18.444 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ARG | 1 | 0.952 | 0.968 | 22.050 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | PHE | 0 | -0.050 | -0.008 | 24.597 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | THR | 0 | 0.049 | 0.007 | 24.962 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | THR | 0 | -0.026 | -0.017 | 26.374 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | THR | 0 | -0.013 | -0.006 | 28.577 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | LEU | 0 | 0.060 | 0.019 | 27.618 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ASN | 0 | -0.026 | -0.023 | 29.991 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | ASP | -1 | -0.756 | -0.827 | 31.917 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | PHE | 0 | 0.006 | 0.014 | 24.754 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ASN | 0 | 0.022 | 0.010 | 29.258 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | LEU | 0 | 0.002 | 0.019 | 30.934 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | VAL | 0 | -0.025 | -0.006 | 28.879 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ALA | 0 | 0.005 | -0.003 | 28.200 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | MET | 0 | 0.019 | 0.008 | 29.440 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | LYS | 1 | 0.860 | 0.951 | 32.672 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | TYR | 0 | -0.059 | -0.047 | 28.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | ASN | 0 | -0.013 | 0.000 | 29.176 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | TYR | 0 | 0.028 | 0.028 | 22.001 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | GLU | -1 | -0.708 | -0.770 | 26.289 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | PRO | 0 | 0.011 | 0.020 | 27.671 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | LEU | 0 | -0.004 | 0.008 | 23.446 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | THR | 0 | 0.043 | 0.010 | 27.163 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | GLN | 0 | 0.013 | -0.011 | 26.954 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ASP | -1 | -0.847 | -0.892 | 26.882 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | HIS | 0 | 0.014 | 0.024 | 23.416 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | VAL | 0 | -0.025 | -0.015 | 22.317 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ASP | -1 | -0.826 | -0.889 | 22.514 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ILE | 0 | -0.044 | 0.000 | 19.900 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | LEU | 0 | 0.008 | 0.015 | 17.205 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | GLY | 0 | 0.020 | 0.023 | 18.046 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | PRO | 0 | -0.024 | -0.010 | 16.392 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | LEU | 0 | 0.071 | 0.044 | 11.636 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | SER | 0 | -0.021 | -0.016 | 14.461 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | ALA | 0 | -0.019 | -0.011 | 17.111 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLN | 0 | -0.031 | 0.002 | 8.771 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | THR | 0 | -0.018 | -0.022 | 11.312 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | GLY | 0 | 0.011 | 0.018 | 13.811 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ILE | 0 | -0.025 | 0.004 | 14.816 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | ALA | 0 | 0.041 | 0.056 | 18.237 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | VAL | 0 | 0.050 | 0.032 | 19.942 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LEU | 0 | -0.015 | -0.003 | 21.326 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ASP | -1 | -0.740 | -0.839 | 21.426 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | MET | 0 | -0.023 | 0.002 | 14.898 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | CYS | 0 | -0.069 | -0.035 | 20.030 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | 0.014 | 0.009 | 23.051 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | SER | 0 | -0.039 | -0.037 | 19.145 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LEU | 0 | 0.024 | 0.002 | 20.427 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LYS | 1 | 0.874 | 0.938 | 21.916 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLU | -1 | -0.842 | -0.902 | 23.565 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | LEU | 0 | -0.003 | 0.017 | 18.141 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | LEU | 0 | -0.015 | 0.012 | 22.680 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | GLN | 0 | -0.013 | 0.012 | 25.504 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ASN | 0 | -0.080 | -0.058 | 24.893 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLY | 0 | 0.043 | 0.047 | 24.059 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | MET | 0 | -0.040 | -0.009 | 17.333 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | ASN | 0 | -0.076 | -0.045 | 20.849 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLY | 0 | 0.015 | 0.004 | 21.631 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | ARG | 1 | 0.846 | 0.948 | 16.766 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | THR | 0 | -0.001 | -0.013 | 14.080 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ILE | 0 | -0.017 | 0.003 | 12.167 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | LEU | 0 | 0.012 | 0.016 | 6.721 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | GLY | 0 | 0.012 | 0.024 | 9.805 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | SER | 0 | -0.013 | -0.003 | 12.018 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | ALA | 0 | 0.040 | 0.015 | 15.195 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | LEU | 0 | -0.014 | -0.009 | 17.955 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | LEU | 0 | -0.005 | -0.008 | 17.587 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | GLU | -1 | -0.693 | -0.757 | 14.882 | -0.674 | -0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ASP | -1 | -0.705 | -0.795 | 17.257 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | GLU | -1 | -0.807 | -0.889 | 17.917 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | PHE | 0 | -0.023 | -0.016 | 12.145 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | THR | 0 | -0.029 | -0.009 | 15.607 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | PRO | 0 | 0.052 | 0.004 | 14.857 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | PHE | 0 | 0.010 | 0.028 | 14.247 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | ASP | -1 | -0.678 | -0.774 | 13.500 | -0.775 | -0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | VAL | 0 | 0.023 | 0.006 | 9.584 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | VAL | 0 | 0.010 | 0.019 | 9.434 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | ARG | 1 | 0.889 | 0.960 | 10.387 | 1.124 | 1.124 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | GLN | 0 | -0.059 | -0.028 | 6.604 | -0.707 | -0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | CYS | 0 | -0.008 | 0.022 | 5.213 | -1.255 | -1.255 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | SER | 0 | 0.064 | 0.035 | 4.757 | -0.210 | -0.143 | -0.001 | -0.007 | -0.058 | 0.000 |
302 | A | 302 | GLY | 0 | 0.033 | 0.029 | 6.410 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | NME | 0 | -0.039 | -0.012 | 8.545 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | C | 300 | ACE | 0 | 0.000 | -0.010 | 45.958 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | C | 301 | ALA | 0 | -0.002 | -0.001 | 42.482 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | C | 302 | THR | 0 | -0.021 | -0.016 | 43.875 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | C | 303 | VAL | 0 | 0.010 | 0.006 | 39.319 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | C | 304 | ARG | 1 | 0.837 | 0.931 | 39.192 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | C | 305 | LEU | 0 | 0.038 | 0.001 | 38.890 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | C | 306 | GLN | 0 | -0.020 | 0.008 | 34.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | C | 307 | ALA | 0 | -0.013 | -0.004 | 37.434 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | C | 308 | GLY | 0 | 0.013 | -0.008 | 39.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | C | 309 | ASN | 0 | -0.018 | -0.008 | 40.776 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | C | 310 | ALA | 0 | 0.011 | 0.002 | 43.168 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | C | 311 | NME | 0 | 0.004 | 0.019 | 44.428 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 401 | HOH | 0 | -0.041 | -0.039 | 15.735 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 402 | HOH | 0 | -0.045 | -0.040 | 42.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 403 | HOH | 0 | -0.013 | -0.017 | 56.077 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 404 | HOH | 0 | -0.036 | -0.024 | 14.921 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 405 | HOH | 0 | -0.014 | -0.019 | 18.276 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 406 | HOH | 0 | -0.002 | -0.012 | 22.111 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 407 | HOH | 0 | -0.021 | -0.016 | 53.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 408 | HOH | 0 | -0.025 | -0.028 | 37.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 409 | HOH | 0 | 0.016 | -0.001 | 12.218 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 410 | HOH | 0 | 0.025 | 0.028 | 24.711 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 411 | HOH | 0 | -0.036 | -0.023 | 9.167 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 412 | HOH | 0 | -0.035 | -0.044 | 17.881 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 413 | HOH | 0 | -0.033 | -0.029 | 10.385 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 414 | HOH | 0 | -0.040 | -0.048 | 32.195 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 415 | HOH | 0 | 0.000 | -0.009 | 41.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 416 | HOH | 0 | 0.018 | 0.007 | 19.431 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 417 | HOH | 0 | -0.002 | 0.008 | 28.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 418 | HOH | 0 | -0.004 | -0.019 | 51.151 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 419 | HOH | 0 | -0.018 | -0.010 | 21.787 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 420 | HOH | 0 | 0.014 | -0.003 | 22.370 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 421 | HOH | 0 | -0.002 | -0.022 | 46.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 422 | HOH | 0 | -0.017 | -0.022 | 48.310 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 423 | HOH | 0 | -0.039 | -0.041 | 29.160 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 424 | HOH | 0 | -0.054 | -0.039 | 36.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 425 | HOH | 0 | -0.012 | -0.044 | 17.297 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 426 | HOH | 0 | 0.010 | 0.002 | 46.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 427 | HOH | 0 | -0.027 | -0.020 | 35.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 428 | HOH | 0 | 0.006 | 0.009 | 36.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 429 | HOH | 0 | 0.022 | 0.012 | 23.750 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 430 | HOH | 0 | 0.007 | 0.000 | 24.334 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 431 | HOH | 0 | -0.006 | -0.002 | 18.197 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 432 | HOH | 0 | -0.010 | 0.001 | 28.203 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 433 | HOH | 0 | 0.006 | 0.002 | 47.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 434 | HOH | 0 | -0.026 | -0.030 | 31.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 435 | HOH | 0 | -0.005 | -0.006 | 14.722 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 436 | HOH | 0 | 0.005 | -0.004 | 34.213 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 437 | HOH | 0 | -0.032 | -0.033 | 22.478 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 438 | HOH | 0 | -0.068 | -0.037 | 32.992 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 439 | HOH | 0 | -0.010 | -0.018 | 45.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 440 | HOH | 0 | 0.001 | 0.016 | 52.940 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 441 | HOH | 0 | -0.009 | -0.009 | 50.598 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 442 | HOH | 0 | -0.023 | -0.035 | 16.513 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 443 | HOH | 0 | 0.032 | 0.005 | 26.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 444 | HOH | 0 | -0.011 | 0.002 | 27.986 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 445 | HOH | 0 | -0.002 | -0.011 | 17.805 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 446 | HOH | 0 | -0.016 | -0.013 | 17.819 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 447 | HOH | 0 | 0.002 | 0.012 | 31.479 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 448 | HOH | 0 | -0.015 | -0.016 | 36.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 449 | HOH | 0 | -0.040 | -0.036 | 40.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 450 | HOH | 0 | 0.029 | 0.013 | 36.931 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 451 | HOH | 0 | 0.006 | 0.011 | 16.668 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 452 | HOH | 0 | -0.020 | -0.026 | 21.048 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 453 | HOH | 0 | -0.036 | -0.025 | 3.921 | -1.922 | -1.790 | 0.000 | -0.079 | -0.052 | 0.000 |
369 | A | 454 | HOH | 0 | -0.044 | -0.031 | 28.093 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 455 | HOH | 0 | -0.024 | -0.029 | 15.841 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 456 | HOH | 0 | -0.021 | -0.016 | 40.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 457 | HOH | 0 | 0.009 | 0.000 | 53.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 458 | HOH | 0 | -0.005 | -0.026 | 27.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 459 | HOH | 0 | -0.048 | -0.048 | 26.094 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 460 | HOH | 0 | -0.009 | -0.015 | 40.071 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 461 | HOH | 0 | -0.039 | -0.037 | 52.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 462 | HOH | 0 | 0.000 | -0.012 | 31.960 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 463 | HOH | 0 | -0.042 | -0.045 | 23.813 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 464 | HOH | 0 | -0.018 | -0.013 | 23.280 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 465 | HOH | 0 | -0.031 | -0.027 | 28.008 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 466 | HOH | 0 | 0.033 | 0.021 | 48.559 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 467 | HOH | 0 | -0.035 | -0.040 | 36.532 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 468 | HOH | 0 | -0.002 | -0.014 | 55.065 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 469 | HOH | 0 | -0.023 | -0.027 | 50.997 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 470 | HOH | 0 | -0.054 | -0.038 | 13.871 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 471 | HOH | 0 | -0.016 | -0.014 | 9.813 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 472 | HOH | 0 | -0.011 | -0.013 | 20.846 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 473 | HOH | 0 | 0.022 | 0.002 | 37.951 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 474 | HOH | 0 | -0.029 | -0.027 | 24.809 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 475 | HOH | 0 | -0.059 | -0.052 | 28.756 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 476 | HOH | 0 | -0.017 | -0.019 | 54.339 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 477 | HOH | 0 | 0.013 | 0.003 | 41.697 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 478 | HOH | 0 | -0.015 | -0.012 | 33.010 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 479 | HOH | 0 | -0.023 | -0.032 | 32.866 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 480 | HOH | 0 | 0.002 | -0.015 | 24.184 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 481 | HOH | 0 | -0.017 | -0.030 | 31.388 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 482 | HOH | 0 | -0.029 | -0.030 | 35.011 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 483 | HOH | 0 | -0.044 | -0.036 | 24.543 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 484 | HOH | 0 | 0.014 | 0.013 | 56.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 485 | HOH | 0 | -0.049 | -0.053 | 45.689 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 486 | HOH | 0 | -0.029 | -0.027 | 47.755 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 487 | HOH | 0 | 0.005 | -0.006 | 17.708 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 488 | HOH | 0 | -0.034 | -0.044 | 52.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 489 | HOH | 0 | 0.010 | -0.003 | 53.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 490 | HOH | 0 | 0.023 | -0.001 | 31.123 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 491 | HOH | 0 | -0.010 | -0.002 | 24.246 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 492 | HOH | 0 | -0.039 | -0.029 | 7.786 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 493 | HOH | 0 | 0.001 | -0.008 | 2.779 | -2.328 | -0.745 | 1.051 | -1.259 | -1.375 | -0.017 |
409 | A | 494 | HOH | 0 | -0.010 | -0.019 | 21.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 495 | HOH | 0 | -0.010 | -0.021 | 28.372 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 496 | HOH | 0 | -0.014 | -0.017 | 19.446 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 497 | HOH | 0 | -0.017 | -0.040 | 16.144 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 498 | HOH | 0 | -0.050 | -0.045 | 27.314 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 499 | HOH | 0 | -0.007 | -0.004 | 21.831 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 500 | HOH | 0 | -0.028 | -0.017 | 16.484 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 501 | HOH | 0 | -0.013 | -0.012 | 28.277 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 502 | HOH | 0 | -0.031 | -0.026 | 27.764 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 503 | HOH | 0 | -0.040 | -0.043 | 25.410 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 504 | HOH | 0 | 0.012 | 0.003 | 27.715 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 505 | HOH | 0 | -0.036 | -0.030 | 14.372 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 506 | HOH | 0 | -0.014 | -0.014 | 31.505 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 507 | HOH | 0 | -0.006 | -0.019 | 24.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 508 | HOH | 0 | -0.043 | -0.043 | 21.203 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 509 | HOH | 0 | -0.012 | -0.021 | 31.883 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 510 | HOH | 0 | -0.003 | 0.005 | 37.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 511 | HOH | 0 | 0.006 | 0.005 | 38.899 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 512 | HOH | 0 | -0.023 | -0.032 | 54.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 513 | HOH | 0 | 0.013 | 0.013 | 20.908 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 514 | HOH | 0 | -0.010 | -0.013 | 45.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 515 | HOH | 0 | -0.010 | -0.024 | 31.815 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 516 | HOH | 0 | 0.001 | -0.036 | 43.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 517 | HOH | 0 | -0.001 | 0.003 | 52.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 518 | HOH | 0 | -0.032 | -0.031 | 28.520 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 519 | HOH | 0 | -0.006 | 0.004 | 40.607 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 520 | HOH | 0 | -0.023 | -0.024 | 11.230 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 521 | HOH | 0 | 0.009 | -0.012 | 38.932 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 522 | HOH | 0 | -0.025 | -0.026 | 42.679 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 523 | HOH | 0 | -0.007 | -0.020 | 32.208 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 524 | HOH | 0 | 0.050 | 0.033 | 30.386 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 525 | HOH | 0 | -0.022 | -0.025 | 33.556 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 526 | HOH | 0 | 0.061 | 0.038 | 50.101 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 527 | HOH | 0 | -0.037 | -0.028 | 15.851 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 528 | HOH | 0 | 0.005 | 0.001 | 43.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 529 | HOH | 0 | -0.041 | -0.039 | 1.812 | -6.771 | -11.264 | 9.814 | -3.134 | -2.187 | 0.013 |
445 | A | 530 | HOH | 0 | 0.006 | -0.002 | 28.949 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 531 | HOH | 0 | -0.016 | -0.012 | 22.982 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 532 | HOH | 0 | 0.037 | 0.023 | 20.151 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 533 | HOH | 0 | 0.002 | -0.008 | 31.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 534 | HOH | 0 | -0.012 | -0.011 | 41.142 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 535 | HOH | 0 | 0.021 | 0.011 | 49.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 536 | HOH | 0 | -0.027 | -0.028 | 28.203 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 537 | HOH | 0 | -0.036 | -0.038 | 40.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 538 | HOH | 0 | -0.043 | -0.035 | 31.325 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 539 | HOH | 0 | -0.011 | 0.000 | 33.279 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 540 | HOH | 0 | 0.027 | 0.019 | 46.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 541 | HOH | 0 | -0.008 | -0.013 | 2.616 | 0.500 | 1.330 | 0.279 | -0.616 | -0.493 | -0.005 |
457 | A | 542 | HOH | 0 | -0.040 | -0.034 | 51.006 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 543 | HOH | 0 | -0.007 | 0.005 | 32.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 544 | HOH | 0 | -0.004 | -0.004 | 17.817 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 545 | HOH | 0 | -0.014 | -0.022 | 32.760 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 546 | HOH | 0 | 0.010 | 0.005 | 25.006 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 547 | HOH | 0 | -0.004 | -0.006 | 24.956 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 548 | HOH | 0 | 0.021 | -0.032 | 1.715 | -10.660 | -27.069 | 29.045 | -9.556 | -3.081 | 0.004 |
464 | A | 549 | HOH | 0 | -0.022 | -0.016 | 3.140 | -0.118 | 0.565 | 0.087 | -0.398 | -0.371 | -0.004 |
465 | A | 550 | HOH | 0 | -0.013 | -0.016 | 49.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 551 | HOH | 0 | -0.016 | -0.006 | 11.724 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 552 | HOH | 0 | -0.006 | -0.002 | 45.592 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 553 | HOH | 0 | -0.028 | -0.032 | 41.991 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 554 | HOH | 0 | 0.009 | 0.000 | 31.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 555 | HOH | 0 | -0.048 | -0.041 | 59.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 556 | HOH | 0 | 0.002 | -0.006 | 37.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 557 | HOH | 0 | -0.006 | -0.006 | 33.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 558 | HOH | 0 | -0.050 | -0.037 | 35.039 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 559 | HOH | 0 | -0.008 | -0.015 | 22.456 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 560 | HOH | 0 | 0.012 | 0.001 | 25.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 561 | HOH | 0 | 0.003 | 0.005 | 31.484 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 562 | HOH | 0 | -0.009 | -0.017 | 29.827 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 563 | HOH | 0 | -0.008 | -0.004 | 7.580 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 564 | HOH | 0 | 0.017 | 0.008 | 47.131 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 565 | HOH | 0 | -0.054 | -0.035 | 24.846 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 566 | HOH | 0 | -0.024 | -0.020 | 34.945 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 567 | HOH | 0 | 0.015 | 0.003 | 51.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 568 | HOH | 0 | -0.015 | -0.015 | 41.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 569 | HOH | 0 | -0.002 | -0.001 | 34.242 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 570 | HOH | 0 | -0.001 | 0.008 | 30.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 571 | HOH | 0 | 0.018 | 0.010 | 33.396 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 572 | HOH | 0 | 0.006 | -0.006 | 11.734 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 573 | HOH | 0 | 0.007 | -0.002 | 31.820 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 574 | HOH | 0 | -0.017 | -0.011 | 21.053 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 575 | HOH | 0 | -0.047 | -0.049 | 26.888 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 576 | HOH | 0 | 0.006 | -0.011 | 24.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 577 | HOH | 0 | -0.035 | -0.025 | 15.395 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 578 | HOH | 0 | 0.023 | 0.011 | 51.747 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 579 | HOH | 0 | 0.016 | -0.008 | 38.928 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 580 | HOH | 0 | -0.019 | -0.026 | 26.392 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 581 | HOH | 0 | 0.010 | 0.003 | 18.670 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 582 | HOH | 0 | 0.009 | 0.013 | 28.820 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 583 | HOH | 0 | -0.001 | 0.001 | 48.717 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 584 | HOH | 0 | -0.041 | -0.028 | 19.098 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 585 | HOH | 0 | -0.026 | -0.023 | 33.823 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 586 | HOH | 0 | -0.020 | -0.015 | 53.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 587 | HOH | 0 | -0.024 | -0.019 | 51.424 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 588 | HOH | 0 | 0.010 | 0.010 | 32.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 589 | HOH | 0 | 0.000 | -0.004 | 14.366 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 590 | HOH | 0 | -0.004 | -0.011 | 32.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 591 | HOH | 0 | 0.003 | 0.002 | 29.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 592 | HOH | 0 | -0.012 | 0.000 | 8.961 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 593 | HOH | 0 | -0.043 | -0.028 | 47.572 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 594 | HOH | 0 | -0.014 | -0.024 | 19.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 595 | HOH | 0 | -0.003 | -0.014 | 6.135 | -0.538 | -0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 596 | HOH | 0 | 0.030 | 0.017 | 35.258 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 597 | HOH | 0 | -0.037 | -0.031 | 52.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 598 | HOH | 0 | 0.030 | 0.025 | 22.622 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 599 | HOH | 0 | 0.026 | 0.013 | 46.310 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 600 | HOH | 0 | 0.024 | 0.011 | 22.888 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 601 | HOH | 0 | -0.003 | -0.004 | 13.681 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 602 | HOH | 0 | -0.040 | -0.029 | 10.451 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 603 | HOH | 0 | -0.015 | -0.013 | 34.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 604 | HOH | 0 | -0.016 | -0.021 | 6.666 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 605 | HOH | 0 | 0.012 | 0.005 | 26.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 606 | HOH | 0 | -0.025 | -0.013 | 23.303 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 607 | HOH | 0 | 0.013 | 0.002 | 36.342 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 608 | HOH | 0 | -0.014 | -0.008 | 51.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 609 | HOH | 0 | -0.024 | -0.017 | 35.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 610 | HOH | 0 | -0.040 | -0.024 | 50.455 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 611 | HOH | 0 | -0.017 | -0.013 | 27.810 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 612 | HOH | 0 | -0.002 | -0.005 | 32.815 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 613 | HOH | 0 | -0.020 | -0.007 | 26.366 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 614 | HOH | 0 | 0.029 | 0.002 | 20.111 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 615 | HOH | 0 | -0.020 | -0.014 | 37.180 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 616 | HOH | 0 | -0.017 | -0.015 | 17.068 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 617 | HOH | 0 | -0.015 | -0.010 | 36.965 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 618 | HOH | 0 | -0.034 | -0.022 | 50.356 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 619 | HOH | 0 | -0.016 | -0.024 | 54.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 620 | HOH | 0 | -0.017 | -0.013 | 43.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 621 | HOH | 0 | -0.025 | -0.020 | 34.709 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 622 | HOH | 0 | -0.033 | -0.032 | 28.881 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 623 | HOH | 0 | -0.002 | -0.007 | 12.630 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 624 | HOH | 0 | -0.016 | -0.013 | 55.845 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 625 | HOH | 0 | -0.016 | -0.019 | 33.952 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 626 | HOH | 0 | -0.022 | -0.024 | 45.287 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 627 | HOH | 0 | -0.025 | -0.028 | 29.561 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 628 | HOH | 0 | -0.002 | -0.007 | 36.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 629 | HOH | 0 | -0.006 | -0.006 | 28.404 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 630 | HOH | 0 | -0.044 | -0.029 | 29.143 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 631 | HOH | 0 | 0.002 | -0.002 | 47.815 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 632 | HOH | 0 | 0.009 | 0.006 | 50.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 633 | HOH | 0 | -0.001 | -0.005 | 19.442 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 634 | HOH | 0 | 0.008 | -0.003 | 55.776 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 635 | HOH | 0 | -0.025 | -0.022 | 2.520 | -3.313 | -2.169 | 0.223 | -0.727 | -0.641 | -0.001 |
551 | A | 636 | HOH | 0 | -0.037 | -0.030 | 47.879 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 637 | HOH | 0 | -0.010 | 0.001 | 18.912 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 638 | HOH | 0 | -0.017 | -0.023 | 34.714 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 639 | HOH | 0 | 0.011 | 0.005 | 36.166 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 640 | HOH | 0 | 0.018 | -0.004 | 42.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 641 | HOH | 0 | -0.021 | -0.018 | 23.869 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 642 | HOH | 0 | -0.002 | 0.000 | 25.730 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 643 | HOH | 0 | -0.036 | -0.040 | 50.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 644 | HOH | 0 | 0.015 | 0.015 | 35.616 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 645 | HOH | 0 | -0.029 | -0.020 | 26.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 646 | HOH | 0 | -0.063 | -0.048 | 42.932 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 647 | HOH | 0 | 0.013 | 0.008 | 14.100 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 648 | HOH | 0 | -0.009 | -0.008 | 43.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 649 | HOH | 0 | 0.038 | 0.023 | 26.926 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 650 | HOH | 0 | -0.009 | -0.003 | 45.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 651 | HOH | 0 | -0.016 | -0.026 | 39.113 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 652 | HOH | 0 | -0.007 | -0.017 | 33.183 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 653 | HOH | 0 | 0.000 | -0.003 | 18.916 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 654 | HOH | 0 | -0.026 | -0.021 | 45.136 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 655 | HOH | 0 | 0.003 | 0.000 | 32.115 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 656 | HOH | 0 | -0.019 | -0.009 | 20.654 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 657 | HOH | 0 | -0.003 | -0.002 | 53.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 658 | HOH | 0 | -0.004 | -0.003 | 53.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 659 | HOH | 0 | -0.023 | -0.022 | 28.691 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 660 | HOH | 0 | -0.005 | -0.010 | 31.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 661 | HOH | 0 | 0.009 | -0.002 | 36.386 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 662 | HOH | 0 | -0.009 | -0.011 | 21.495 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 663 | HOH | 0 | 0.006 | 0.001 | 23.635 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 664 | HOH | 0 | -0.002 | -0.003 | 37.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 665 | HOH | 0 | 0.012 | 0.010 | 7.875 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 666 | HOH | 0 | 0.006 | 0.011 | 43.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 667 | HOH | 0 | 0.009 | 0.010 | 43.991 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 668 | HOH | 0 | 0.010 | 0.003 | 21.754 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 669 | HOH | 0 | -0.018 | -0.016 | 23.417 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 670 | HOH | 0 | -0.001 | -0.008 | 16.813 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 671 | HOH | 0 | 0.059 | 0.043 | 30.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 672 | HOH | 0 | 0.002 | 0.006 | 41.090 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 673 | HOH | 0 | -0.022 | -0.021 | 13.623 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 674 | HOH | 0 | 0.024 | 0.022 | 32.371 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 675 | HOH | 0 | 0.013 | 0.003 | 24.991 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 676 | HOH | 0 | -0.009 | -0.012 | 27.106 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 677 | HOH | 0 | 0.033 | 0.029 | 43.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 678 | HOH | 0 | 0.002 | -0.002 | 55.291 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 679 | HOH | 0 | 0.009 | 0.001 | 34.393 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 680 | HOH | 0 | 0.026 | 0.007 | 21.680 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 681 | HOH | 0 | 0.016 | -0.004 | 21.706 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 682 | HOH | 0 | -0.021 | -0.019 | 41.370 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 683 | HOH | 0 | -0.018 | -0.013 | 54.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 684 | HOH | 0 | -0.012 | -0.006 | 34.679 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 685 | HOH | 0 | 0.009 | 0.002 | 27.152 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 686 | HOH | 0 | -0.022 | -0.033 | 29.654 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 687 | HOH | 0 | 0.000 | 0.000 | 16.251 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 688 | HOH | 0 | 0.000 | 0.001 | 33.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 689 | HOH | 0 | -0.023 | -0.019 | 16.813 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 690 | HOH | 0 | 0.016 | 0.001 | 35.674 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 691 | HOH | 0 | -0.023 | -0.024 | 37.008 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 692 | HOH | 0 | -0.014 | -0.008 | 43.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 693 | HOH | 0 | -0.003 | -0.007 | 27.235 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 694 | HOH | 0 | 0.002 | -0.003 | 15.723 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 695 | HOH | 0 | 0.031 | 0.025 | 29.956 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 696 | HOH | 0 | -0.022 | -0.021 | 25.563 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 697 | HOH | 0 | -0.020 | -0.018 | 25.754 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 698 | HOH | 0 | -0.004 | -0.008 | 26.266 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 699 | HOH | 0 | 0.002 | 0.001 | 33.171 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 700 | HOH | 0 | -0.011 | 0.002 | 30.041 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 701 | HOH | 0 | 0.022 | 0.020 | 43.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 702 | HOH | 0 | -0.020 | -0.023 | 25.022 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 703 | HOH | 0 | 0.009 | 0.000 | 43.089 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 704 | HOH | 0 | 0.054 | 0.041 | 56.757 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 705 | HOH | 0 | -0.009 | -0.007 | 55.153 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 706 | HOH | 0 | 0.007 | -0.003 | 15.768 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 707 | HOH | 0 | -0.020 | -0.014 | 33.941 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 708 | HOH | 0 | 0.021 | 0.017 | 19.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 709 | HOH | 0 | -0.027 | -0.026 | 39.767 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 710 | HOH | 0 | -0.028 | -0.021 | 39.855 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | C | 401 | HOH | 0 | -0.040 | -0.038 | 43.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | C | 402 | HOH | 0 | -0.038 | -0.027 | 38.735 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | C | 403 | HOH | 0 | -0.007 | -0.007 | 34.944 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | C | 404 | HOH | 0 | -0.037 | -0.024 | 43.469 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |