FMODB ID: GQ3Q1
Calculation Name: 7CJF-ABC-Xray192
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 7CJF
Chain ID: ABC
Base Structure: X-ray
Registration Date: 2021-02-01
Reference: K. Watanabe, K. Kato Y. Handa, Y. Kawashima, K. Fukuzawa, C. Watanabe, T. Honma, , To be published
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | Water(s) essential for molecular recognition. |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 1208 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -16832343.293025 |
---|---|
FMO2-HF: Nuclear repulsion | 16546531.833915 |
FMO2-HF: Total energy | -285811.45911 |
FMO2-MP2: Total energy | -286628.790976 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-429 : frag 430-619)
"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. |
-692.9676 | -637.2555 | 264.9095 | -132.2631 | -188.3585 | 0.0875 |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:GLU )
Summations of interaction energy for
fragment #1(A:1:GLU )
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. |
-66.014 | -59.903 | 0.43 | -3.072 | -3.469 | 0.015 |
Interaction energy analysis for fragmet #1(A:1:GLU )
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 | GLN | 0 | 0.004 | 0.002 | 2.882 | -5.803 | -0.509 | 0.402 | -2.833 | -2.863 | 0.015 |
4 | A | 4 | LEU | 0 | -0.003 | 0.001 | 4.953 | -3.969 | -3.923 | -0.001 | -0.006 | -0.039 | 0.000 |
5 | A | 5 | VAL | 0 | 0.063 | 0.052 | 8.033 | -0.768 | -0.768 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | GLU | -1 | -0.740 | -0.835 | 10.733 | 20.250 | 20.250 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | SER | 0 | -0.028 | -0.023 | 14.536 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLY | 0 | 0.012 | 0.013 | 17.032 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | GLY | 0 | 0.041 | 0.050 | 20.407 | -0.766 | -0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | GLY | 0 | -0.005 | -0.004 | 22.384 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LEU | 0 | 0.012 | 0.021 | 25.633 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ILE | 0 | 0.017 | 0.024 | 29.316 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLN | 0 | 0.033 | 0.027 | 31.371 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | PRO | 0 | 0.011 | -0.005 | 34.469 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLY | 0 | -0.024 | -0.005 | 35.825 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | GLY | 0 | -0.017 | -0.007 | 33.438 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | -0.018 | -0.031 | 30.310 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | LEU | 0 | -0.068 | -0.002 | 25.295 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ARG | 1 | 0.891 | 0.979 | 20.910 | -14.090 | -14.090 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | -0.004 | 0.033 | 19.500 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | SER | 0 | -0.005 | -0.032 | 16.307 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 95 | CYS | 0 | -0.061 | -0.007 | 13.430 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | ALA | 0 | 0.002 | 0.032 | 10.695 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | ALA | 0 | 0.034 | 0.016 | 8.542 | 1.903 | 1.903 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | SER | 0 | 0.005 | 0.010 | 4.124 | -5.413 | -5.084 | 0.000 | -0.044 | -0.285 | 0.000 |
26 | A | 26 | GLY | 0 | 0.080 | 0.034 | 5.175 | 2.553 | 2.553 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | PHE | 0 | -0.007 | -0.014 | 5.643 | -3.547 | -3.547 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ILE | 0 | -0.004 | 0.029 | 9.247 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | VAL | 0 | 0.047 | 0.023 | 12.031 | -1.372 | -1.372 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | SER | 0 | -0.022 | -0.019 | 14.448 | -1.193 | -1.193 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | SER | 0 | -0.010 | -0.010 | 14.802 | -1.525 | -1.525 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ASN | 0 | -0.016 | -0.015 | 12.593 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | TYR | 0 | -0.030 | -0.015 | 16.346 | -0.778 | -0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | MET | 0 | -0.035 | 0.004 | 12.704 | 1.299 | 1.299 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | SER | 0 | 0.006 | -0.023 | 17.176 | -1.333 | -1.333 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | TRP | 0 | -0.031 | -0.013 | 17.413 | 1.013 | 1.013 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | VAL | 0 | -0.016 | -0.012 | 19.210 | -0.795 | -0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ARG | 1 | 0.789 | 0.882 | 20.233 | -10.392 | -10.392 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLN | 0 | 0.029 | 0.032 | 21.918 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ALA | 0 | 0.043 | 0.026 | 24.130 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | PRO | 0 | -0.019 | -0.010 | 26.897 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLY | 0 | 0.012 | 0.013 | 27.343 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | LYS | 1 | 0.883 | 0.966 | 27.905 | -9.516 | -9.516 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLY | 0 | 0.073 | 0.049 | 26.295 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | LEU | 0 | -0.044 | -0.001 | 20.470 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLU | -1 | -0.759 | -0.836 | 24.222 | 10.182 | 10.182 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | TRP | 0 | 0.002 | 0.000 | 21.807 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | VAL | 0 | 0.022 | 0.010 | 23.011 | -0.551 | -0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | SER | 0 | -0.017 | -0.013 | 23.318 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ILE | 0 | -0.014 | 0.020 | 20.948 | 0.548 | 0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ILE | 0 | -0.037 | -0.018 | 19.938 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | TYR | 0 | 0.030 | -0.009 | 20.876 | 0.594 | 0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | SER | 0 | 0.043 | 0.028 | 19.485 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLY | 0 | 0.005 | 0.011 | 21.061 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLY | 0 | 0.018 | 0.020 | 24.041 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | -0.001 | -0.021 | 25.424 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | THR | 0 | -0.060 | -0.017 | 25.108 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | PHE | 0 | -0.006 | 0.004 | 26.277 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | TYR | 0 | -0.058 | -0.047 | 26.486 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ALA | 0 | 0.092 | 0.053 | 28.068 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ASP | -1 | -0.825 | -0.908 | 29.756 | 9.012 | 9.012 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | SER | 0 | -0.080 | -0.029 | 30.441 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | VAL | 0 | 0.003 | -0.005 | 27.681 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LYS | 1 | 0.920 | 0.969 | 31.041 | -9.618 | -9.618 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLY | 0 | -0.024 | -0.013 | 32.705 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ARG | 1 | 0.722 | 0.838 | 31.640 | -9.744 | -9.744 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PHE | 0 | 0.024 | -0.003 | 26.386 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | THR | 0 | -0.030 | -0.016 | 26.713 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ILE | 0 | 0.021 | 0.039 | 20.352 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | SER | 0 | 0.011 | 0.001 | 21.881 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ARG | 1 | 0.800 | 0.878 | 18.055 | -14.119 | -14.119 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASP | -1 | -0.691 | -0.764 | 18.024 | 14.771 | 14.771 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ASN | 0 | 0.032 | 0.016 | 16.811 | 1.686 | 1.686 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | SER | 0 | -0.019 | -0.010 | 16.033 | 0.970 | 0.970 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LYS | 1 | 0.888 | 0.959 | 14.875 | -14.807 | -14.807 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ASN | 0 | -0.017 | -0.003 | 9.739 | -0.794 | -0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | THR | 0 | 0.010 | 0.009 | 12.072 | 1.703 | 1.703 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LEU | 0 | -0.023 | -0.016 | 14.462 | -1.212 | -1.212 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | TYR | 0 | -0.042 | -0.045 | 16.674 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | LEU | 0 | 0.039 | 0.011 | 19.759 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | GLN | 0 | -0.045 | -0.023 | 22.547 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | MET | 0 | -0.043 | -0.007 | 24.524 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ASN | 0 | 0.070 | 0.035 | 27.914 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | SER | 0 | 0.015 | 0.002 | 31.591 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | LEU | 0 | -0.009 | 0.012 | 28.610 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ARG | 1 | 0.934 | 0.962 | 32.651 | -8.991 | -8.991 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | VAL | 0 | 0.068 | 0.035 | 32.612 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | GLU | -1 | -0.839 | -0.923 | 32.450 | 9.044 | 9.044 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | ASP | -1 | -0.754 | -0.826 | 28.872 | 10.222 | 10.222 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | THR | 0 | -0.034 | -0.003 | 27.717 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ALA | 0 | 0.028 | 0.018 | 24.649 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | VAL | 0 | -0.015 | 0.011 | 19.189 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | TYR | 0 | -0.035 | -0.045 | 20.263 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | TYR | 0 | -0.018 | -0.019 | 15.244 | 0.850 | 0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | ALA | 0 | 0.052 | 0.016 | 13.199 | 1.185 | 1.185 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ARG | 1 | 0.774 | 0.856 | 10.643 | -23.735 | -23.735 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | ASP | -1 | -0.765 | -0.844 | 13.765 | 14.382 | 14.382 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | LEU | 0 | -0.014 | 0.003 | 13.318 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | GLN | 0 | 0.053 | 0.024 | 17.405 | -1.275 | -1.275 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | GLU | -1 | -0.748 | -0.811 | 20.913 | 12.035 | 12.035 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | LEU | 0 | -0.031 | 0.012 | 18.023 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | GLY | 0 | 0.043 | 0.010 | 16.932 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | SER | 0 | 0.007 | 0.007 | 16.910 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | LEU | 0 | -0.013 | 0.006 | 16.166 | 0.754 | 0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | ASP | -1 | -0.667 | -0.790 | 11.600 | 22.977 | 22.977 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | TYR | 0 | -0.018 | 0.018 | 5.863 | 2.222 | 2.222 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | TRP | 0 | -0.019 | -0.017 | 10.632 | -1.521 | -1.521 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | GLY | 0 | 0.062 | 0.046 | 10.305 | 2.129 | 2.129 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | GLN | 0 | -0.011 | -0.005 | 11.357 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | GLY | 0 | 0.032 | 0.019 | 13.111 | -1.567 | -1.567 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | THR | 0 | -0.062 | -0.038 | 16.228 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | LEU | 0 | -0.003 | 0.009 | 18.789 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | VAL | 0 | 0.009 | 0.013 | 22.402 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | THR | 0 | 0.003 | -0.015 | 25.349 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | VAL | 0 | 0.018 | 0.012 | 28.786 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | SER | 0 | -0.016 | -0.022 | 31.786 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | SER | 0 | 0.019 | -0.014 | 34.965 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | ALA | 0 | -0.039 | 0.005 | 37.217 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | SER | 0 | 0.003 | -0.001 | 37.625 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | THR | 0 | -0.035 | -0.029 | 35.066 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | LYS | 1 | 0.785 | 0.882 | 37.546 | -7.562 | -7.562 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | GLY | 0 | 0.070 | 0.044 | 38.748 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | PRO | 0 | -0.055 | -0.003 | 38.417 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | SER | 0 | 0.056 | 0.037 | 41.209 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | VAL | 0 | 0.004 | 0.000 | 42.111 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | PHE | 0 | 0.012 | 0.004 | 44.704 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | PRO | 0 | 0.004 | 0.013 | 46.420 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LEU | 0 | -0.024 | 0.010 | 44.460 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | ALA | 0 | 0.042 | 0.014 | 48.452 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | PRO | 0 | 0.047 | 0.051 | 50.687 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | CYS | 0 | -0.039 | -0.009 | 52.034 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | SER | 0 | 0.050 | 0.032 | 54.875 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | ARG | 1 | 0.923 | 0.945 | 57.987 | -5.320 | -5.320 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | SER | 0 | 0.030 | 0.009 | 56.296 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | THR | 0 | -0.021 | -0.003 | 57.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | SER | 0 | -0.067 | -0.039 | 53.220 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | GLU | -1 | -0.791 | -0.867 | 50.666 | 5.972 | 5.972 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | SER | 0 | 0.009 | 0.039 | 53.272 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | THR | 0 | -0.012 | 0.001 | 47.554 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | ALA | 0 | 0.004 | 0.006 | 50.206 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | ALA | 0 | 0.005 | 0.019 | 46.706 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | LEU | 0 | -0.004 | 0.007 | 45.821 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | GLY | 0 | 0.055 | 0.005 | 44.184 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 201 | CYS | 0 | -0.067 | 0.003 | 41.306 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | LEU | 0 | -0.001 | 0.012 | 42.367 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | VAL | 0 | -0.013 | -0.005 | 38.297 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | LYS | 1 | 0.841 | 0.911 | 40.229 | -6.864 | -6.864 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | ASP | -1 | -0.726 | -0.801 | 41.278 | 7.049 | 7.049 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | TYR | 0 | 0.030 | -0.001 | 33.846 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | PHE | 0 | 0.039 | 0.035 | 33.362 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | PRO | 0 | 0.009 | 0.011 | 31.116 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | GLU | -1 | -0.728 | -0.814 | 29.607 | 9.767 | 9.767 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | PRO | 0 | -0.012 | 0.009 | 27.790 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | VAL | 0 | 0.014 | 0.009 | 30.678 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | THR | 0 | -0.005 | 0.007 | 30.208 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | VAL | 0 | 0.007 | -0.007 | 33.146 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | SER | 0 | 0.002 | 0.016 | 35.126 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | TRP | 0 | 0.016 | 0.010 | 37.005 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | ASN | 0 | -0.020 | -0.018 | 40.155 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | SER | 0 | -0.011 | -0.007 | 39.364 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | GLY | 0 | 0.035 | 0.042 | 36.823 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ALA | 0 | -0.015 | 0.007 | 37.508 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | LEU | 0 | -0.066 | -0.019 | 40.075 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | THR | 0 | 0.078 | 0.042 | 35.089 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | SER | 0 | 0.019 | 0.018 | 37.157 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | GLY | 0 | 0.073 | 0.037 | 38.744 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | VAL | 0 | -0.014 | 0.001 | 36.892 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | HIS | 0 | -0.025 | 0.024 | 36.342 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | THR | 0 | 0.004 | -0.012 | 34.177 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | PHE | 0 | -0.056 | -0.007 | 34.161 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | PRO | 0 | 0.026 | 0.009 | 31.595 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ALA | 0 | 0.002 | 0.022 | 32.884 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | VAL | 0 | -0.007 | 0.015 | 34.182 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | LEU | 0 | -0.049 | -0.021 | 34.223 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | GLN | 0 | -0.006 | 0.001 | 36.876 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | SER | 0 | 0.043 | 0.025 | 39.962 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | SER | 0 | -0.028 | -0.028 | 42.381 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | GLY | 0 | 0.030 | 0.022 | 38.479 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | LEU | 0 | -0.030 | 0.002 | 37.739 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | TYR | 0 | -0.009 | -0.012 | 31.806 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | SER | 0 | -0.015 | -0.019 | 37.458 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | LEU | 0 | 0.014 | 0.019 | 34.515 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | SER | 0 | 0.010 | 0.018 | 38.364 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | SER | 0 | 0.020 | 0.002 | 37.682 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | VAL | 0 | 0.020 | -0.003 | 39.641 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | VAL | 0 | 0.016 | 0.009 | 40.576 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | THR | 0 | 0.026 | 0.021 | 42.792 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | VAL | 0 | -0.013 | 0.015 | 44.769 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | PRO | 0 | 0.083 | 0.042 | 47.364 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | SER | 0 | 0.025 | 0.013 | 50.621 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | SER | 0 | 0.003 | -0.002 | 53.587 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | SER | 0 | -0.052 | -0.030 | 50.905 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | LEU | 0 | 0.018 | 0.020 | 51.523 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | GLY | 0 | 0.047 | 0.041 | 54.024 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | THR | 0 | 0.003 | 0.020 | 53.913 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | LYS | 1 | 0.873 | 0.939 | 47.642 | -6.500 | -6.500 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | THR | 0 | 0.019 | 0.023 | 48.720 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | TYR | 0 | -0.011 | -0.005 | 45.736 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | THR | 0 | 0.029 | 0.005 | 44.201 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | ASN | 0 | 0.014 | -0.012 | 38.670 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | VAL | 0 | -0.006 | 0.006 | 37.885 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | ASP | -1 | -0.746 | -0.856 | 33.955 | 9.076 | 9.076 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | HIS | 0 | -0.015 | -0.034 | 34.300 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | LYS | 1 | 0.876 | 0.933 | 30.647 | -9.812 | -9.812 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | PRO | 0 | -0.001 | 0.017 | 31.032 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | SER | 0 | 0.023 | 0.014 | 33.287 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | ASN | 0 | -0.032 | -0.007 | 35.589 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | THR | 0 | 0.002 | 0.021 | 37.227 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | LYS | 1 | 0.828 | 0.921 | 34.942 | -8.643 | -8.643 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | VAL | 0 | 0.026 | 0.022 | 40.134 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | ASP | -1 | -0.816 | -0.837 | 41.813 | 7.700 | 7.700 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | LYS | 1 | 0.825 | 0.885 | 44.177 | -6.638 | -6.638 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | ARG | 1 | 0.866 | 0.913 | 46.302 | -5.932 | -5.932 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | VAL | 0 | -0.013 | -0.001 | 46.550 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | GLU | -1 | -0.838 | -0.877 | 49.561 | 5.830 | 5.830 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | SER | 0 | 0.024 | 0.011 | 52.905 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | LYS | 1 | 0.810 | 0.908 | 55.604 | -5.546 | -5.546 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | TYR | 0 | -0.064 | -0.039 | 57.657 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 1 | ASP | -1 | -0.813 | -0.893 | 34.253 | 8.884 | 8.884 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 2 | ILE | 0 | -0.021 | 0.006 | 33.376 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 3 | GLN | 0 | 0.024 | 0.041 | 33.872 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 4 | MET | 0 | 0.012 | 0.022 | 29.126 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 5 | THR | 0 | -0.032 | -0.023 | 32.796 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 6 | GLN | 0 | 0.052 | 0.021 | 27.753 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 7 | SER | 0 | -0.027 | 0.017 | 32.695 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 8 | PRO | 0 | 0.063 | 0.047 | 34.442 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 9 | SER | 0 | 0.024 | -0.004 | 33.286 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 10 | SER | 0 | -0.034 | -0.016 | 32.287 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 11 | VAL | 0 | 0.051 | 0.028 | 31.650 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 12 | SER | 0 | 0.004 | -0.011 | 32.487 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 13 | ALA | 0 | -0.050 | -0.024 | 31.391 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 14 | SER | 0 | 0.001 | -0.016 | 33.037 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 15 | VAL | 0 | 0.005 | -0.014 | 28.645 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 16 | GLY | 0 | -0.006 | 0.003 | 29.741 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 17 | ASP | -1 | -0.745 | -0.811 | 31.379 | 8.456 | 8.456 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 18 | ARG | 1 | 0.949 | 1.002 | 30.673 | -8.643 | -8.643 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 19 | VAL | 0 | -0.019 | -0.009 | 29.075 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 20 | THR | 0 | -0.019 | -0.019 | 29.790 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 21 | ILE | 0 | -0.016 | 0.001 | 27.430 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 22 | THR | 0 | -0.014 | 0.019 | 30.287 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 88 | CYS | 0 | -0.023 | -0.006 | 23.778 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 24 | ARG | 1 | 0.917 | 0.976 | 31.727 | -7.990 | -7.990 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 25 | ALA | 0 | 0.034 | 0.019 | 32.599 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 26 | SER | 0 | -0.045 | -0.010 | 34.495 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 27 | GLN | 0 | 0.045 | 0.029 | 36.453 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 28 | GLY | 0 | 0.017 | 0.026 | 35.819 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 29 | ILE | 0 | -0.036 | -0.017 | 29.720 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 30 | SER | 0 | -0.008 | -0.025 | 31.095 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 31 | SER | 0 | 0.032 | 0.012 | 28.178 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 32 | TRP | 0 | -0.029 | 0.003 | 24.895 | 0.587 | 0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 33 | LEU | 0 | 0.019 | 0.005 | 25.745 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 34 | ALA | 0 | 0.002 | 0.021 | 20.713 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 35 | TRP | 0 | -0.008 | -0.022 | 21.449 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 36 | TYR | 0 | 0.027 | -0.003 | 17.314 | 0.968 | 0.968 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 37 | GLN | 0 | 0.011 | 0.007 | 18.344 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 38 | GLN | 0 | 0.023 | -0.001 | 18.477 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 39 | LYS | 1 | 0.852 | 0.931 | 18.303 | -15.902 | -15.902 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 40 | PRO | 0 | 0.051 | 0.009 | 20.149 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 41 | GLY | 0 | 0.037 | 0.030 | 20.358 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 42 | LYS | 1 | 0.809 | 0.929 | 15.051 | -17.042 | -17.042 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 43 | ALA | 0 | 0.102 | 0.055 | 13.569 | -0.903 | -0.903 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 44 | PRO | 0 | -0.035 | -0.005 | 15.706 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 45 | LYS | 1 | 0.899 | 0.967 | 13.023 | -16.466 | -16.466 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 46 | LEU | 0 | -0.034 | -0.006 | 14.428 | -1.079 | -1.079 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 47 | LEU | 0 | -0.034 | -0.014 | 15.356 | 0.629 | 0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 48 | ILE | 0 | -0.024 | -0.015 | 18.019 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 49 | TYR | 0 | -0.009 | 0.006 | 16.991 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 50 | ALA | 0 | 0.044 | 0.017 | 20.733 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 51 | ALA | 0 | 0.014 | 0.025 | 23.962 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 52 | SER | 0 | -0.012 | -0.006 | 25.027 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 53 | SER | 0 | -0.028 | 0.004 | 20.558 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 54 | LEU | 0 | -0.017 | 0.009 | 18.111 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 55 | GLN | 0 | 0.006 | 0.019 | 11.803 | -0.822 | -0.822 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 56 | SER | 0 | -0.001 | -0.001 | 11.022 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 57 | GLY | 0 | 0.053 | 0.040 | 11.686 | 1.264 | 1.264 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 58 | VAL | 0 | -0.068 | -0.009 | 12.662 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 59 | PRO | 0 | 0.021 | 0.000 | 15.796 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 60 | SER | 0 | 0.050 | 0.008 | 18.656 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 61 | ARG | 1 | 0.725 | 0.839 | 20.776 | -13.507 | -13.507 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 62 | PHE | 0 | -0.034 | -0.005 | 20.189 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 63 | SER | 0 | 0.038 | 0.005 | 22.721 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 64 | GLY | 0 | 0.012 | 0.024 | 24.785 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 65 | SER | 0 | -0.027 | -0.011 | 26.109 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 66 | GLY | 0 | 0.062 | 0.047 | 29.393 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 67 | SER | 0 | -0.018 | -0.016 | 30.876 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 68 | GLY | 0 | 0.026 | 0.032 | 33.005 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 69 | THR | 0 | -0.005 | -0.013 | 34.263 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 70 | ASP | -1 | -0.794 | -0.834 | 34.784 | 8.113 | 8.113 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 71 | PHE | 0 | 0.018 | 0.027 | 29.411 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 72 | THR | 0 | -0.008 | -0.018 | 30.188 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 73 | LEU | 0 | -0.003 | 0.029 | 23.353 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 74 | THR | 0 | -0.014 | -0.026 | 26.889 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 75 | ILE | 0 | -0.023 | -0.010 | 24.421 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 76 | SER | 0 | -0.008 | -0.010 | 26.710 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 77 | SER | 0 | 0.024 | -0.007 | 27.480 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 78 | LEU | 0 | -0.075 | -0.018 | 26.255 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 79 | GLN | 0 | 0.022 | 0.012 | 23.531 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 80 | PRO | 0 | 0.064 | 0.026 | 24.750 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 81 | GLU | -1 | -0.744 | -0.837 | 19.300 | 13.467 | 13.467 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 82 | ASP | -1 | -0.738 | -0.810 | 21.262 | 13.434 | 13.434 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 83 | PHE | 0 | -0.044 | 0.020 | 23.221 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 84 | ALA | 0 | 0.043 | 0.033 | 22.279 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 85 | THR | 0 | 0.009 | 0.005 | 23.582 | -0.740 | -0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 86 | TYR | 0 | -0.021 | -0.034 | 21.965 | 0.834 | 0.834 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 87 | TYR | 0 | -0.007 | 0.006 | 22.616 | -0.696 | -0.696 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 89 | GLN | 0 | 0.025 | 0.010 | 22.054 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 90 | GLU | -1 | -0.695 | -0.781 | 25.521 | 10.085 | 10.085 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 91 | ALA | 0 | 0.020 | 0.011 | 23.388 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 92 | ASN | 0 | -0.017 | -0.026 | 24.878 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 93 | SER | 0 | 0.022 | 0.001 | 27.456 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 94 | PHE | 0 | -0.051 | 0.026 | 26.816 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 95 | PRO | 0 | -0.010 | -0.001 | 28.801 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 96 | TYR | 0 | 0.003 | -0.010 | 24.636 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 97 | THR | 0 | -0.005 | 0.004 | 25.898 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 98 | PHE | 0 | 0.000 | -0.005 | 20.979 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 99 | GLY | 0 | 0.021 | 0.026 | 26.851 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 100 | GLN | 0 | 0.010 | -0.007 | 28.028 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 101 | GLY | 0 | 0.028 | 0.032 | 27.584 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 102 | THR | 0 | -0.050 | -0.027 | 27.859 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 103 | LYS | 1 | 0.881 | 0.955 | 27.771 | -9.676 | -9.676 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 104 | LEU | 0 | -0.034 | -0.003 | 26.419 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 105 | GLU | -1 | -0.717 | -0.763 | 28.391 | 9.063 | 9.063 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 106 | ILE | 0 | 0.006 | 0.003 | 29.214 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 107 | LYS | 1 | 0.855 | 0.953 | 32.595 | -8.495 | -8.495 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 108 | ARG | 1 | 0.832 | 0.913 | 36.128 | -7.677 | -7.677 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 109 | THR | 0 | 0.007 | 0.016 | 38.687 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 110 | VAL | 0 | -0.021 | 0.004 | 42.009 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 111 | ALA | 0 | -0.025 | -0.019 | 42.686 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 112 | ALA | 0 | 0.026 | 0.011 | 44.371 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 113 | PRO | 0 | -0.008 | 0.020 | 44.818 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 114 | SER | 0 | 0.015 | 0.027 | 46.094 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 115 | VAL | 0 | 0.001 | -0.006 | 46.902 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 116 | PHE | 0 | -0.016 | -0.010 | 47.243 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 117 | ILE | 0 | 0.014 | 0.031 | 48.918 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 118 | PHE | 0 | -0.015 | 0.000 | 47.074 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 119 | PRO | 0 | 0.028 | 0.019 | 51.165 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 120 | PRO | 0 | -0.007 | 0.029 | 51.516 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 121 | SER | 0 | -0.002 | 0.003 | 50.983 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 122 | ASP | -1 | -0.823 | -0.923 | 53.202 | 5.464 | 5.464 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 123 | GLU | -1 | -0.780 | -0.810 | 50.666 | 6.276 | 6.276 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 124 | GLN | 0 | 0.032 | 0.021 | 48.441 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 125 | LEU | 0 | 0.012 | 0.022 | 52.038 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 126 | LYS | 1 | 0.926 | 0.970 | 55.271 | -5.329 | -5.329 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 127 | SER | 0 | -0.046 | -0.022 | 51.647 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 128 | GLY | 0 | 0.037 | 0.034 | 53.455 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 129 | THR | 0 | -0.015 | -0.007 | 49.080 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 130 | ALA | 0 | -0.014 | -0.001 | 52.294 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 131 | SER | 0 | 0.028 | 0.006 | 46.899 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 132 | VAL | 0 | -0.040 | -0.008 | 49.329 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 133 | VAL | 0 | 0.011 | 0.020 | 44.821 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 194 | CYS | 0 | -0.063 | -0.018 | 46.609 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 135 | LEU | 0 | -0.033 | -0.008 | 42.527 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 136 | LEU | 0 | 0.012 | 0.002 | 43.443 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 137 | ASN | 0 | -0.031 | -0.049 | 41.845 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 138 | ASN | 0 | 0.021 | 0.009 | 40.217 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 139 | PHE | 0 | 0.010 | 0.018 | 40.097 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 140 | TYR | 0 | 0.016 | -0.019 | 36.297 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 141 | PRO | 0 | -0.002 | 0.008 | 39.562 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 142 | ARG | 1 | 0.886 | 0.930 | 35.961 | -8.310 | -8.310 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 143 | GLU | -1 | -0.827 | -0.881 | 38.463 | 7.952 | 7.952 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 144 | ALA | 0 | 0.038 | 0.031 | 41.395 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 145 | LYS | 1 | 0.855 | 0.935 | 43.707 | -6.116 | -6.116 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 146 | VAL | 0 | 0.020 | 0.009 | 45.048 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 147 | GLN | 0 | -0.035 | 0.003 | 47.669 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 148 | TRP | 0 | 0.008 | -0.003 | 47.305 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 149 | LYS | 1 | 0.855 | 0.926 | 52.169 | -5.584 | -5.584 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 150 | VAL | 0 | 0.012 | 0.009 | 55.415 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 151 | ASP | -1 | -0.736 | -0.844 | 58.038 | 5.009 | 5.009 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 152 | ASN | 0 | -0.017 | -0.018 | 59.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 153 | ALA | 0 | 0.033 | 0.044 | 59.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 154 | LEU | 0 | -0.004 | -0.012 | 54.703 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 155 | GLN | 0 | -0.016 | 0.003 | 52.523 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 156 | SER | 0 | 0.017 | 0.021 | 50.234 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 157 | GLY | 0 | 0.054 | 0.030 | 47.629 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 158 | ASN | 0 | -0.004 | 0.022 | 47.912 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 159 | SER | 0 | -0.019 | -0.023 | 46.163 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 160 | GLN | 0 | 0.061 | 0.051 | 39.553 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 161 | GLU | -1 | -0.787 | -0.829 | 39.919 | 7.303 | 7.303 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 162 | SER | 0 | -0.012 | -0.012 | 35.837 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 163 | VAL | 0 | 0.021 | 0.000 | 35.293 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 164 | THR | 0 | -0.014 | 0.001 | 33.520 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 165 | GLU | -1 | -0.774 | -0.825 | 27.975 | 10.321 | 10.321 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 166 | GLN | 0 | -0.012 | 0.003 | 31.232 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 167 | ASP | -1 | -0.748 | -0.821 | 31.045 | 9.362 | 9.362 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 168 | SER | 0 | -0.011 | -0.021 | 29.047 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 169 | LYS | 1 | 0.862 | 0.928 | 30.757 | -8.939 | -8.939 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 170 | ASP | -1 | -0.706 | -0.801 | 33.813 | 8.001 | 8.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 171 | SER | 0 | 0.004 | 0.006 | 33.800 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 172 | THR | 0 | -0.074 | -0.037 | 34.905 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 173 | TYR | 0 | -0.035 | -0.038 | 33.107 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 174 | SER | 0 | 0.058 | 0.038 | 37.207 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 175 | LEU | 0 | -0.036 | -0.006 | 37.928 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 176 | SER | 0 | 0.004 | 0.012 | 40.041 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 177 | SER | 0 | 0.033 | -0.009 | 41.383 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 178 | THR | 0 | 0.006 | -0.009 | 43.151 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 179 | LEU | 0 | -0.005 | 0.007 | 45.526 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 180 | THR | 0 | -0.020 | -0.010 | 46.356 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 181 | LEU | 0 | -0.007 | -0.001 | 49.178 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 182 | SER | 0 | 0.026 | -0.001 | 52.605 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 183 | LYS | 1 | 0.870 | 0.920 | 54.499 | -5.346 | -5.346 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 184 | ALA | 0 | 0.050 | 0.024 | 56.925 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 185 | ASP | -1 | -0.741 | -0.821 | 56.602 | 5.443 | 5.443 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 186 | TYR | 0 | 0.008 | 0.001 | 55.927 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 187 | GLU | -1 | -0.810 | -0.878 | 57.886 | 5.157 | 5.157 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 188 | LYS | 1 | 0.841 | 0.945 | 60.616 | -5.307 | -5.307 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 189 | HIS | 0 | -0.024 | 0.027 | 59.651 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 190 | LYS | 1 | 0.880 | 0.951 | 61.881 | -4.764 | -4.764 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 191 | VAL | 0 | -0.003 | 0.002 | 59.991 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 192 | TYR | 0 | 0.009 | 0.005 | 55.137 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 193 | ALA | 0 | 0.034 | -0.006 | 55.491 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 195 | GLU | -1 | -0.764 | -0.852 | 52.208 | 5.710 | 5.710 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 196 | VAL | 0 | 0.029 | 0.009 | 47.457 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 197 | THR | 0 | -0.037 | -0.011 | 48.916 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 198 | HIS | 0 | 0.021 | -0.010 | 42.848 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 199 | GLN | 0 | 0.046 | 0.030 | 44.834 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 200 | GLY | 0 | 0.012 | 0.004 | 47.179 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 201 | LEU | 0 | -0.032 | 0.007 | 48.573 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 202 | SER | 0 | 0.023 | 0.022 | 51.657 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 203 | SER | 0 | 0.007 | -0.003 | 54.856 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 204 | PRO | 0 | 0.018 | 0.011 | 53.183 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 205 | VAL | 0 | 0.039 | 0.063 | 52.296 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 206 | THR | 0 | -0.025 | -0.028 | 53.196 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 207 | LYS | 1 | 0.845 | 0.932 | 52.279 | -5.990 | -5.990 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 208 | SER | 0 | 0.011 | -0.011 | 54.776 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 209 | PHE | 0 | -0.033 | -0.007 | 53.994 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 210 | ASN | 0 | 0.005 | 0.006 | 58.735 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 211 | ARG | 1 | 0.806 | 0.891 | 59.894 | -5.069 | -5.069 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 212 | GLY | 0 | -0.005 | 0.007 | 60.573 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 213 | GLU | -1 | -0.748 | -0.808 | 61.173 | 4.837 | 4.837 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | C | 334 | ASN | 0 | -0.014 | 0.016 | 62.398 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | C | 335 | LEU | 0 | 0.037 | 0.031 | 61.171 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | C | 361 | CYS | 0 | -0.081 | -0.007 | 56.583 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | C | 337 | PRO | 0 | 0.045 | 0.029 | 54.387 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | C | 338 | PHE | 0 | 0.033 | -0.004 | 52.821 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | C | 339 | GLY | 0 | 0.015 | 0.016 | 52.843 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | C | 340 | GLU | -1 | -0.838 | -0.926 | 51.669 | 5.962 | 5.962 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | C | 341 | VAL | 0 | -0.032 | -0.006 | 47.608 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | C | 342 | PHE | 0 | 0.035 | 0.005 | 48.379 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | C | 343 | ASN | 0 | -0.002 | 0.008 | 49.516 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | C | 344 | ALA | 0 | 0.016 | 0.040 | 47.060 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | C | 345 | THR | 0 | 0.010 | -0.002 | 47.785 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | C | 346 | ARG | 1 | 0.932 | 0.958 | 42.543 | -6.656 | -6.656 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | C | 347 | PHE | 0 | 0.021 | 0.025 | 41.326 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | C | 348 | ALA | 0 | -0.006 | 0.019 | 38.322 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | C | 349 | SER | 0 | 0.037 | 0.005 | 33.424 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | C | 350 | VAL | 0 | -0.043 | -0.017 | 32.555 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | C | 351 | TYR | 0 | 0.021 | 0.012 | 30.523 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | C | 352 | ALA | 0 | -0.022 | 0.007 | 32.500 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | C | 353 | TRP | 0 | -0.030 | 0.016 | 35.240 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | C | 354 | ASN | 0 | 0.057 | 0.036 | 38.115 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | C | 355 | ARG | 1 | 0.833 | 0.888 | 41.602 | -7.151 | -7.151 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | C | 356 | LYS | 1 | 0.814 | 0.911 | 44.096 | -6.096 | -6.096 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | C | 357 | ARG | 1 | 0.848 | 0.903 | 47.824 | -6.065 | -6.065 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | C | 358 | ILE | 0 | -0.041 | -0.019 | 50.201 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | C | 359 | SER | 0 | 0.005 | -0.012 | 53.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | C | 360 | ASN | 0 | 0.014 | -0.002 | 56.431 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | C | 362 | VAL | 0 | 0.017 | 0.023 | 60.856 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | C | 363 | ALA | 0 | 0.066 | 0.015 | 57.809 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | C | 364 | ASP | -1 | -0.777 | -0.890 | 59.632 | 5.041 | 5.041 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | C | 365 | TYR | 0 | 0.014 | -0.038 | 54.878 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | C | 366 | SER | 0 | 0.014 | 0.006 | 57.791 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | C | 367 | VAL | 0 | -0.047 | -0.017 | 58.439 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | C | 368 | LEU | 0 | -0.052 | -0.017 | 53.619 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | C | 369 | TYR | 0 | 0.021 | 0.004 | 54.244 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | C | 370 | ASN | 0 | 0.015 | 0.038 | 56.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | C | 371 | SER | 0 | 0.052 | 0.038 | 55.766 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | C | 372 | ALA | 0 | 0.024 | 0.012 | 55.823 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | C | 373 | SER | 0 | -0.039 | -0.019 | 52.479 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | C | 374 | PHE | 0 | -0.026 | -0.011 | 49.536 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | C | 375 | SER | 0 | 0.002 | -0.001 | 45.724 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | C | 376 | THR | 0 | -0.061 | -0.034 | 44.549 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | C | 377 | PHE | 0 | 0.074 | 0.018 | 47.455 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | C | 378 | LYS | 1 | 0.871 | 0.958 | 44.354 | -7.106 | -7.106 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | C | 432 | CYS | 0 | -0.074 | -0.008 | 48.411 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | C | 380 | TYR | 0 | -0.010 | -0.008 | 44.615 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | C | 381 | GLY | 0 | 0.072 | 0.033 | 49.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | C | 382 | VAL | 0 | -0.018 | -0.006 | 52.091 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | C | 383 | SER | 0 | 0.018 | 0.018 | 54.082 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | C | 384 | PRO | 0 | 0.046 | 0.007 | 54.264 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | C | 385 | THR | 0 | -0.013 | 0.000 | 56.104 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | C | 386 | LYS | 1 | 0.927 | 0.960 | 59.620 | -5.052 | -5.052 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | C | 387 | LEU | 0 | 0.030 | 0.034 | 54.746 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | C | 388 | ASN | 0 | -0.041 | -0.013 | 58.944 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | C | 389 | ASP | -1 | -0.883 | -0.926 | 61.955 | 4.886 | 4.886 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | C | 390 | LEU | 0 | -0.062 | -0.006 | 58.054 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | C | 525 | CYS | 0 | -0.018 | 0.028 | 59.203 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | C | 392 | PHE | 0 | 0.019 | -0.001 | 55.398 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | C | 393 | THR | 0 | 0.001 | 0.007 | 55.096 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | C | 394 | ASN | 0 | -0.049 | -0.029 | 52.434 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | C | 395 | VAL | 0 | 0.076 | 0.051 | 51.446 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | C | 396 | TYR | 0 | -0.071 | -0.017 | 46.678 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | C | 397 | ALA | 0 | 0.049 | 0.021 | 47.593 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | C | 398 | ASP | -1 | -0.737 | -0.795 | 41.843 | 7.262 | 7.262 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | C | 399 | SER | 0 | 0.014 | 0.004 | 42.536 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | C | 400 | PHE | 0 | -0.020 | -0.011 | 37.650 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | C | 401 | VAL | 0 | 0.030 | 0.028 | 37.225 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | C | 402 | ILE | 0 | -0.033 | 0.006 | 34.745 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | C | 403 | ARG | 1 | 0.816 | 0.888 | 30.144 | -9.840 | -9.840 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | C | 404 | GLY | 0 | 0.068 | 0.041 | 36.094 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | C | 405 | ASP | -1 | -0.798 | -0.857 | 34.391 | 8.945 | 8.945 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | C | 406 | GLU | -1 | -0.676 | -0.789 | 31.565 | 9.728 | 9.728 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | C | 407 | VAL | 0 | 0.005 | 0.008 | 35.780 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | C | 408 | ARG | 1 | 0.836 | 0.924 | 33.485 | -9.019 | -9.019 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | C | 409 | GLN | 0 | 0.006 | -0.011 | 31.564 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | C | 410 | ILE | 0 | -0.032 | 0.002 | 36.738 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | C | 411 | ALA | 0 | 0.036 | 0.006 | 39.198 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | C | 412 | PRO | 0 | -0.001 | 0.039 | 39.460 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | C | 413 | GLY | 0 | 0.039 | 0.008 | 38.619 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | C | 414 | GLN | 0 | -0.110 | -0.012 | 36.243 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | C | 415 | THR | 0 | -0.015 | -0.011 | 31.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | C | 416 | GLY | 0 | 0.024 | -0.001 | 29.621 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | C | 417 | LYS | 1 | 0.838 | 0.941 | 24.780 | -11.683 | -11.683 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | C | 418 | ILE | 0 | -0.027 | -0.007 | 28.388 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | C | 419 | ALA | 0 | 0.040 | 0.022 | 31.687 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | C | 420 | ASP | -1 | -0.744 | -0.802 | 28.328 | 10.539 | 10.539 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | C | 421 | TYR | 0 | 0.009 | 0.011 | 23.504 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | C | 422 | ASN | 0 | -0.009 | 0.018 | 28.508 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | C | 423 | TYR | 0 | 0.020 | -0.027 | 31.653 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | C | 424 | LYS | 1 | 0.830 | 0.938 | 34.281 | -8.934 | -8.934 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | C | 425 | LEU | 0 | 0.010 | 0.018 | 36.192 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | C | 426 | PRO | 0 | 0.010 | 0.001 | 39.124 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | C | 427 | ASP | -1 | -0.783 | -0.861 | 39.697 | 7.999 | 7.999 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | C | 428 | ASP | -1 | -0.835 | -0.889 | 42.224 | 6.997 | 6.997 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | C | 429 | PHE | 0 | -0.049 | -0.005 | 43.820 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | C | 430 | THR | 0 | 0.027 | 0.017 | 45.818 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | C | 431 | GLY | 0 | 0.022 | 0.001 | 48.749 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | C | 433 | VAL | 0 | -0.002 | 0.002 | 43.015 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | C | 434 | ILE | 0 | -0.016 | -0.003 | 46.121 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | C | 435 | ALA | 0 | -0.002 | 0.003 | 43.437 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | C | 436 | TRP | 0 | 0.024 | 0.012 | 45.157 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | C | 437 | ASN | 0 | -0.012 | 0.004 | 43.119 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | C | 438 | SER | 0 | 0.011 | -0.020 | 42.434 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | C | 439 | ASN | 0 | 0.040 | 0.029 | 41.592 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | C | 440 | ASN | 0 | -0.007 | -0.009 | 43.170 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | C | 441 | LEU | 0 | -0.001 | 0.012 | 45.162 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | C | 442 | ASP | -1 | -0.749 | -0.789 | 39.923 | 7.359 | 7.359 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | C | 443 | SER | 0 | 0.013 | -0.003 | 39.253 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | C | 444 | LYS | 1 | 0.860 | 0.908 | 38.191 | -7.980 | -7.980 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | C | 445 | VAL | 0 | 0.028 | 0.011 | 39.039 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | C | 446 | GLY | 0 | 0.027 | 0.012 | 37.128 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | C | 447 | GLY | 0 | 0.013 | 0.003 | 34.561 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | C | 448 | ASN | 0 | -0.067 | -0.046 | 35.394 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | C | 449 | TYR | 0 | 0.036 | 0.043 | 29.469 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | C | 450 | ASN | 0 | 0.040 | 0.066 | 31.851 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | C | 451 | TYR | 0 | -0.052 | -0.031 | 33.640 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | C | 452 | LEU | 0 | 0.017 | 0.000 | 28.750 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | C | 453 | TYR | 0 | -0.028 | -0.062 | 26.015 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | C | 454 | ARG | 1 | 0.761 | 0.841 | 25.484 | -10.635 | -10.635 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | C | 455 | LEU | 0 | -0.004 | 0.020 | 20.897 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | C | 456 | PHE | 0 | 0.016 | 0.031 | 16.948 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | C | 457 | ARG | 1 | 0.756 | 0.858 | 21.664 | -11.260 | -11.260 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | C | 458 | LYS | 1 | 0.883 | 0.976 | 18.974 | -14.607 | -14.607 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | C | 459 | SER | 0 | -0.049 | -0.028 | 22.178 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | C | 460 | ASN | 0 | 0.027 | 0.010 | 25.545 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | C | 461 | LEU | 0 | -0.043 | 0.006 | 28.789 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | C | 462 | LYS | 1 | 0.912 | 0.942 | 31.612 | -9.410 | -9.410 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | C | 463 | PRO | 0 | 0.036 | -0.004 | 34.728 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | C | 464 | PHE | 0 | -0.003 | 0.008 | 37.971 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | C | 465 | GLU | -1 | -0.733 | -0.799 | 32.031 | 9.605 | 9.605 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | C | 466 | ARG | 1 | 0.841 | 0.914 | 34.625 | -8.095 | -8.095 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | C | 467 | ASP | -1 | -0.751 | -0.833 | 28.308 | 10.649 | 10.649 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | C | 468 | ILE | 0 | 0.017 | 0.006 | 30.962 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | C | 469 | SER | 0 | -0.026 | -0.008 | 25.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | C | 470 | THR | 0 | 0.018 | 0.003 | 25.752 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | C | 471 | GLU | -1 | -0.785 | -0.824 | 21.444 | 13.573 | 13.573 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | C | 472 | ILE | 0 | -0.005 | 0.018 | 17.074 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | C | 473 | TYR | 0 | -0.037 | -0.032 | 16.734 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | C | 474 | GLN | 0 | 0.036 | 0.021 | 12.416 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | C | 475 | ALA | 0 | -0.002 | 0.009 | 12.641 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | C | 476 | GLY | 0 | 0.033 | 0.013 | 9.299 | 1.105 | 1.105 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | C | 477 | SER | 0 | -0.013 | -0.010 | 7.289 | -3.267 | -3.267 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | C | 478 | THR | 0 | 0.003 | 0.024 | 7.729 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | C | 479 | PRO | 0 | -0.001 | -0.003 | 10.512 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | C | 488 | CYS | 0 | -0.010 | 0.037 | 11.012 | 0.725 | 0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | C | 481 | ASN | 0 | -0.017 | 0.002 | 15.265 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | C | 482 | GLY | 0 | 0.000 | 0.011 | 18.718 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | C | 483 | VAL | 0 | 0.016 | 0.020 | 16.466 | -0.725 | -0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | C | 484 | GLU | -1 | -0.810 | -0.864 | 16.248 | 14.524 | 14.524 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | C | 485 | GLY | 0 | 0.018 | 0.008 | 13.287 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | C | 486 | PHE | 0 | 0.018 | 0.021 | 5.880 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | C | 487 | ASN | 0 | -0.015 | -0.010 | 7.594 | -0.936 | -0.936 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | C | 489 | TYR | 0 | 0.037 | 0.012 | 12.255 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | C | 490 | PHE | 0 | 0.040 | 0.028 | 17.126 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | C | 491 | PRO | 0 | -0.016 | 0.008 | 20.835 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | C | 492 | LEU | 0 | -0.037 | -0.012 | 22.419 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | C | 493 | GLN | 0 | 0.019 | 0.029 | 23.422 | 0.732 | 0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | C | 494 | SER | 0 | -0.012 | -0.031 | 25.654 | -0.480 | -0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | C | 495 | TYR | 0 | -0.050 | -0.060 | 28.308 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | C | 496 | GLY | 0 | -0.015 | -0.007 | 30.922 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | C | 497 | PHE | 0 | -0.033 | -0.011 | 32.094 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | C | 498 | GLN | 0 | 0.038 | 0.033 | 34.174 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | C | 499 | PRO | 0 | 0.002 | 0.024 | 37.599 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | C | 500 | THR | 0 | 0.028 | 0.027 | 38.416 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | C | 501 | ASN | 0 | 0.023 | 0.050 | 34.786 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | C | 502 | GLY | 0 | 0.048 | 0.037 | 37.352 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | C | 503 | VAL | 0 | 0.000 | -0.012 | 38.693 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | C | 504 | GLY | 0 | -0.004 | 0.002 | 37.354 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | C | 505 | TYR | 0 | 0.005 | -0.024 | 30.979 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | C | 506 | GLN | 0 | -0.024 | 0.004 | 35.783 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | C | 507 | PRO | 0 | -0.004 | 0.010 | 38.155 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | C | 508 | TYR | 0 | -0.023 | -0.006 | 39.036 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | C | 509 | ARG | 1 | 0.792 | 0.882 | 40.392 | -6.727 | -6.727 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | C | 510 | VAL | 0 | -0.006 | -0.016 | 40.283 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | C | 511 | VAL | 0 | -0.010 | -0.023 | 43.106 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | C | 512 | VAL | 0 | -0.019 | -0.009 | 41.989 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | C | 513 | LEU | 0 | -0.007 | 0.016 | 45.299 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | C | 514 | SER | 0 | 0.020 | -0.004 | 46.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | C | 515 | PHE | 0 | -0.013 | -0.017 | 48.273 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | C | 516 | GLU | -1 | -0.784 | -0.840 | 50.077 | 6.304 | 6.304 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | C | 517 | LEU | 0 | 0.017 | -0.006 | 51.842 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | C | 518 | LEU | 0 | -0.019 | -0.011 | 51.732 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | C | 519 | HIS | 0 | -0.002 | -0.005 | 55.533 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | C | 520 | ALA | 0 | -0.020 | -0.012 | 57.610 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | C | 521 | PRO | 0 | 0.018 | 0.003 | 59.528 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | C | 522 | ALA | 0 | 0.016 | 0.017 | 59.696 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | C | 523 | THR | 0 | -0.012 | 0.008 | 57.765 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | C | 524 | VAL | 0 | 0.012 | 0.007 | 56.007 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | C | 526 | GLY | 0 | 0.086 | 0.038 | 61.751 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | C | 527 | PRO | 0 | 0.019 | 0.034 | 62.708 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 301 | HOH | 0 | 0.019 | 0.009 | 28.446 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 302 | HOH | 0 | 0.001 | -0.009 | 21.208 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 303 | HOH | 0 | 0.021 | 0.009 | 31.217 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 304 | HOH | 0 | 0.024 | -0.001 | 51.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 305 | HOH | 0 | 0.003 | 0.006 | 24.459 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 306 | HOH | 0 | 0.004 | 0.000 | 52.189 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 307 | HOH | 0 | -0.014 | -0.013 | 28.092 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 308 | HOH | 0 | 0.004 | -0.011 | 54.175 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 309 | HOH | 0 | -0.015 | -0.010 | 37.127 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 310 | HOH | 0 | -0.020 | -0.006 | 54.674 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 311 | HOH | 0 | -0.020 | -0.021 | 13.582 | -0.584 | -0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 312 | HOH | 0 | 0.001 | 0.000 | 30.825 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 313 | HOH | 0 | -0.007 | -0.011 | 27.288 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 314 | HOH | 0 | -0.003 | -0.009 | 44.009 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 315 | HOH | 0 | 0.021 | 0.013 | 21.662 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 316 | HOH | 0 | -0.029 | -0.021 | 9.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 317 | HOH | 0 | 0.007 | 0.006 | 46.075 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 318 | HOH | 0 | -0.005 | -0.008 | 28.997 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 319 | HOH | 0 | 0.018 | 0.013 | 35.348 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 320 | HOH | 0 | -0.013 | -0.019 | 41.977 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 321 | HOH | 0 | -0.018 | -0.018 | 21.382 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 322 | HOH | 0 | -0.016 | -0.023 | 20.654 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 323 | HOH | 0 | -0.017 | -0.009 | 40.415 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 324 | HOH | 0 | 0.029 | 0.014 | 12.515 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 325 | HOH | 0 | 0.022 | 0.008 | 43.527 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 326 | HOH | 0 | -0.013 | -0.030 | 12.087 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 327 | HOH | 0 | -0.029 | -0.015 | 43.540 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 328 | HOH | 0 | -0.010 | -0.012 | 26.842 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 329 | HOH | 0 | -0.017 | -0.024 | 50.651 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 330 | HOH | 0 | -0.020 | -0.023 | 21.199 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 331 | HOH | 0 | -0.043 | -0.038 | 54.149 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 332 | HOH | 0 | -0.011 | -0.002 | 30.269 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 333 | HOH | 0 | -0.045 | -0.038 | 42.627 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 334 | HOH | 0 | -0.027 | -0.020 | 25.192 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 335 | HOH | 0 | -0.019 | -0.019 | 23.568 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 336 | HOH | 0 | 0.013 | 0.001 | 29.666 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 337 | HOH | 0 | -0.029 | -0.025 | 36.899 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 338 | HOH | 0 | -0.008 | -0.011 | 17.925 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 339 | HOH | 0 | -0.013 | -0.014 | 55.436 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 340 | HOH | 0 | -0.013 | -0.011 | 13.512 | -0.747 | -0.747 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 341 | HOH | 0 | -0.008 | -0.009 | 21.017 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 343 | HOH | 0 | -0.013 | -0.007 | 23.683 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 344 | HOH | 0 | -0.023 | -0.027 | 12.056 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 345 | HOH | 0 | -0.050 | -0.042 | 34.419 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 346 | HOH | 0 | -0.005 | -0.015 | 41.139 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 347 | HOH | 0 | -0.048 | -0.047 | 9.085 | 0.655 | 0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 348 | HOH | 0 | 0.001 | -0.002 | 52.644 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 349 | HOH | 0 | -0.014 | -0.015 | 26.343 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 350 | HOH | 0 | 0.006 | -0.005 | 31.859 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 351 | HOH | 0 | -0.033 | -0.032 | 16.462 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 352 | HOH | 0 | 0.010 | -0.002 | 25.325 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 353 | HOH | 0 | -0.003 | -0.016 | 15.483 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 354 | HOH | 0 | 0.014 | 0.003 | 46.268 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 355 | HOH | 0 | -0.005 | -0.001 | 22.269 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 356 | HOH | 0 | 0.001 | -0.003 | 27.284 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 357 | HOH | 0 | 0.003 | -0.024 | 23.712 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 358 | HOH | 0 | -0.011 | -0.020 | 50.809 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 359 | HOH | 0 | -0.017 | -0.018 | 31.947 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 360 | HOH | 0 | -0.011 | -0.011 | 38.191 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 361 | HOH | 0 | 0.032 | 0.017 | 30.051 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 362 | HOH | 0 | -0.008 | 0.008 | 16.742 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 363 | HOH | 0 | -0.009 | -0.014 | 36.093 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 364 | HOH | 0 | -0.006 | -0.013 | 14.125 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 365 | HOH | 0 | -0.020 | -0.013 | 15.057 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 366 | HOH | 0 | 0.022 | 0.001 | 16.500 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 367 | HOH | 0 | -0.014 | -0.023 | 27.103 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 368 | HOH | 0 | 0.000 | 0.004 | 28.135 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 369 | HOH | 0 | 0.005 | 0.010 | 25.635 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 370 | HOH | 0 | -0.033 | -0.028 | 56.548 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 371 | HOH | 0 | 0.010 | -0.008 | 28.678 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 372 | HOH | 0 | -0.015 | -0.027 | 33.925 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 373 | HOH | 0 | -0.032 | -0.030 | 29.802 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 374 | HOH | 0 | -0.023 | -0.034 | 50.823 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 375 | HOH | 0 | 0.002 | -0.008 | 33.084 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 376 | HOH | 0 | -0.020 | -0.017 | 33.924 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 377 | HOH | 0 | 0.005 | 0.004 | 33.796 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 378 | HOH | 0 | -0.027 | -0.034 | 44.777 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 379 | HOH | 0 | -0.022 | -0.016 | 3.236 | -4.235 | -3.819 | 0.030 | -0.187 | -0.259 | 0.000 |
698 | A | 380 | HOH | 0 | 0.006 | -0.006 | 19.821 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 381 | HOH | 0 | 0.011 | 0.001 | 29.870 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 382 | HOH | 0 | -0.042 | -0.033 | 16.410 | -0.487 | -0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 383 | HOH | 0 | 0.025 | 0.008 | 23.996 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 384 | HOH | 0 | -0.069 | -0.046 | 33.115 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 385 | HOH | 0 | -0.026 | -0.023 | 35.937 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 386 | HOH | 0 | -0.012 | -0.004 | 8.954 | 0.752 | 0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 387 | HOH | 0 | -0.010 | -0.010 | 27.626 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 388 | HOH | 0 | -0.040 | -0.028 | 53.351 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 389 | HOH | 0 | 0.004 | -0.014 | 30.226 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 390 | HOH | 0 | -0.017 | -0.020 | 33.532 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 391 | HOH | 0 | -0.004 | -0.008 | 34.758 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 392 | HOH | 0 | -0.019 | -0.019 | 45.925 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 393 | HOH | 0 | -0.006 | -0.015 | 46.126 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 394 | HOH | 0 | 0.009 | -0.003 | 30.841 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 395 | HOH | 0 | -0.013 | -0.012 | 33.879 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 396 | HOH | 0 | -0.030 | -0.033 | 16.441 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 397 | HOH | 0 | 0.034 | 0.011 | 31.529 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 398 | HOH | 0 | -0.026 | -0.021 | 45.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 399 | HOH | 0 | 0.005 | -0.006 | 29.844 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 400 | HOH | 0 | -0.017 | -0.022 | 23.263 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 401 | HOH | 0 | 0.004 | 0.006 | 19.481 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 402 | HOH | 0 | -0.030 | -0.023 | 45.219 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 403 | HOH | 0 | 0.005 | 0.000 | 44.180 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 404 | HOH | 0 | -0.030 | -0.022 | 25.480 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 405 | HOH | 0 | 0.002 | -0.002 | 9.186 | -0.875 | -0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 406 | HOH | 0 | -0.015 | -0.011 | 46.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 407 | HOH | 0 | 0.027 | 0.020 | 15.343 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 408 | HOH | 0 | -0.005 | -0.005 | 37.511 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 409 | HOH | 0 | 0.002 | -0.005 | 19.823 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 410 | HOH | 0 | -0.013 | -0.024 | 55.329 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 411 | HOH | 0 | -0.003 | -0.004 | 31.541 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 412 | HOH | 0 | 0.003 | -0.001 | 43.998 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 413 | HOH | 0 | 0.014 | -0.021 | 12.120 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 414 | HOH | 0 | 0.014 | 0.002 | 54.394 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 415 | HOH | 0 | 0.016 | 0.001 | 52.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 416 | HOH | 0 | -0.010 | -0.012 | 35.641 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 417 | HOH | 0 | -0.003 | -0.002 | 21.523 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 418 | HOH | 0 | 0.023 | 0.008 | 20.762 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 419 | HOH | 0 | -0.011 | -0.020 | 15.634 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 420 | HOH | 0 | 0.000 | -0.006 | 48.599 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 421 | HOH | 0 | 0.004 | 0.002 | 7.821 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 422 | HOH | 0 | -0.005 | -0.008 | 32.443 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 423 | HOH | 0 | 0.008 | 0.011 | 18.623 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 424 | HOH | 0 | -0.048 | -0.036 | 31.705 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 425 | HOH | 0 | 0.026 | 0.010 | 22.379 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 426 | HOH | 0 | -0.045 | -0.038 | 27.791 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 427 | HOH | 0 | -0.019 | -0.025 | 40.264 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 428 | HOH | 0 | 0.006 | -0.003 | 52.199 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 429 | HOH | 0 | 0.024 | 0.007 | 18.450 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 430 | HOH | 0 | -0.005 | -0.010 | 48.749 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 431 | HOH | 0 | -0.032 | -0.032 | 20.335 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 432 | HOH | 0 | -0.006 | -0.008 | 42.621 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 433 | HOH | 0 | 0.003 | -0.012 | 24.639 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 434 | HOH | 0 | -0.020 | -0.020 | 34.820 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 435 | HOH | 0 | 0.039 | 0.019 | 46.292 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 436 | HOH | 0 | -0.048 | -0.039 | 40.360 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 437 | HOH | 0 | 0.023 | 0.018 | 61.557 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 438 | HOH | 0 | 0.020 | 0.016 | 34.158 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 439 | HOH | 0 | -0.010 | -0.009 | 33.832 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 440 | HOH | 0 | 0.024 | 0.016 | 43.651 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 441 | HOH | 0 | 0.001 | 0.010 | 22.966 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 442 | HOH | 0 | -0.008 | -0.001 | 58.217 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 443 | HOH | 0 | -0.004 | -0.004 | 27.109 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 444 | HOH | 0 | 0.002 | 0.000 | 24.636 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 445 | HOH | 0 | -0.012 | -0.014 | 52.681 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 446 | HOH | 0 | -0.038 | -0.024 | 52.074 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 447 | HOH | 0 | 0.060 | 0.041 | 7.221 | 1.953 | 1.953 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 448 | HOH | 0 | -0.033 | -0.040 | 35.798 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 449 | HOH | 0 | 0.004 | -0.005 | 43.087 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 450 | HOH | 0 | -0.013 | -0.021 | 29.413 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 451 | HOH | 0 | 0.009 | 0.007 | 28.785 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 452 | HOH | 0 | 0.033 | 0.019 | 46.490 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 453 | HOH | 0 | -0.004 | -0.019 | 52.312 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 454 | HOH | 0 | -0.015 | -0.014 | 4.646 | -2.448 | -2.422 | -0.001 | -0.002 | -0.023 | 0.000 |
773 | A | 456 | HOH | 0 | -0.024 | -0.028 | 46.377 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 457 | HOH | 0 | -0.023 | -0.026 | 16.672 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 458 | HOH | 0 | -0.008 | -0.009 | 33.417 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 459 | HOH | 0 | -0.022 | -0.026 | 47.841 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 460 | HOH | 0 | 0.038 | 0.024 | 26.827 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 461 | HOH | 0 | -0.006 | -0.004 | 35.549 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 462 | HOH | 0 | -0.046 | -0.026 | 52.115 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 463 | HOH | 0 | -0.003 | -0.001 | 48.380 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 464 | HOH | 0 | 0.026 | 0.015 | 45.626 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 465 | HOH | 0 | -0.028 | -0.033 | 37.169 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 466 | HOH | 0 | -0.030 | -0.022 | 46.491 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 467 | HOH | 0 | 0.003 | -0.003 | 44.650 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 468 | HOH | 0 | -0.027 | -0.020 | 30.867 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 469 | HOH | 0 | -0.022 | -0.020 | 26.518 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 470 | HOH | 0 | 0.026 | 0.005 | 23.997 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 471 | HOH | 0 | -0.019 | -0.017 | 37.303 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 472 | HOH | 0 | -0.028 | -0.026 | 57.214 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 473 | HOH | 0 | 0.017 | 0.011 | 33.749 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 474 | HOH | 0 | 0.032 | 0.022 | 31.664 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 475 | HOH | 0 | 0.015 | 0.004 | 51.912 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 476 | HOH | 0 | -0.007 | -0.008 | 31.799 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 477 | HOH | 0 | 0.011 | 0.006 | 45.221 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 478 | HOH | 0 | 0.033 | 0.029 | 45.165 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 479 | HOH | 0 | -0.016 | -0.011 | 16.528 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 480 | HOH | 0 | -0.026 | -0.025 | 6.857 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 481 | HOH | 0 | 0.034 | 0.008 | 43.335 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 482 | HOH | 0 | -0.013 | -0.013 | 35.812 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 483 | HOH | 0 | -0.002 | -0.012 | 22.700 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 484 | HOH | 0 | -0.008 | -0.006 | 45.440 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 485 | HOH | 0 | 0.027 | 0.010 | 27.962 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 486 | HOH | 0 | 0.008 | 0.005 | 32.348 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 487 | HOH | 0 | 0.022 | 0.007 | 47.722 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 488 | HOH | 0 | 0.002 | 0.000 | 27.564 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 489 | HOH | 0 | -0.027 | -0.022 | 59.576 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 490 | HOH | 0 | -0.009 | -0.008 | 24.430 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 491 | HOH | 0 | 0.003 | -0.002 | 47.170 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 492 | HOH | 0 | -0.004 | -0.001 | 36.812 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 493 | HOH | 0 | -0.008 | -0.005 | 28.971 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 494 | HOH | 0 | 0.001 | -0.004 | 33.773 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 495 | HOH | 0 | -0.013 | -0.017 | 31.397 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 496 | HOH | 0 | 0.010 | 0.005 | 53.602 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 497 | HOH | 0 | 0.030 | 0.024 | 51.184 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 498 | HOH | 0 | 0.021 | 0.016 | 47.172 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 499 | HOH | 0 | -0.019 | -0.021 | 29.264 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 500 | HOH | 0 | 0.000 | -0.007 | 45.691 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 501 | HOH | 0 | -0.022 | -0.020 | 24.961 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 502 | HOH | 0 | 0.001 | 0.001 | 21.380 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 503 | HOH | 0 | 0.012 | 0.001 | 28.542 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 504 | HOH | 0 | -0.005 | -0.002 | 47.489 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 505 | HOH | 0 | -0.018 | -0.014 | 42.580 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 506 | HOH | 0 | -0.033 | -0.025 | 58.644 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 507 | HOH | 0 | -0.050 | -0.035 | 46.899 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | B | 301 | HOH | 0 | 0.003 | 0.006 | 28.703 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | B | 302 | HOH | 0 | -0.006 | -0.026 | 34.152 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | B | 303 | HOH | 0 | -0.028 | -0.030 | 38.559 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | B | 304 | HOH | 0 | -0.048 | -0.039 | 39.220 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | B | 305 | HOH | 0 | -0.019 | -0.022 | 44.778 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | B | 306 | HOH | 0 | -0.032 | -0.031 | 26.489 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | B | 307 | HOH | 0 | 0.001 | -0.003 | 16.782 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | B | 308 | HOH | 0 | -0.014 | -0.011 | 56.916 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | B | 309 | HOH | 0 | -0.028 | -0.041 | 35.978 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | B | 310 | HOH | 0 | -0.032 | -0.031 | 39.635 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | B | 311 | HOH | 0 | -0.008 | -0.009 | 64.389 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | B | 312 | HOH | 0 | -0.032 | -0.029 | 34.608 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | B | 313 | HOH | 0 | -0.023 | -0.015 | 51.859 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | B | 314 | HOH | 0 | 0.020 | 0.009 | 28.166 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | B | 315 | HOH | 0 | -0.036 | -0.037 | 50.097 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | B | 316 | HOH | 0 | -0.026 | -0.010 | 36.434 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | B | 317 | HOH | 0 | 0.038 | 0.021 | 57.730 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | B | 318 | HOH | 0 | -0.023 | -0.019 | 12.574 | 0.495 | 0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | B | 319 | HOH | 0 | -0.039 | -0.060 | 31.089 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | B | 320 | HOH | 0 | -0.005 | -0.003 | 31.954 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | B | 321 | HOH | 0 | 0.002 | 0.001 | 24.920 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | B | 322 | HOH | 0 | 0.014 | -0.002 | 16.368 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | B | 323 | HOH | 0 | 0.019 | 0.004 | 16.710 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | B | 324 | HOH | 0 | -0.014 | -0.025 | 21.738 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | B | 325 | HOH | 0 | -0.026 | -0.036 | 53.939 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | B | 326 | HOH | 0 | -0.004 | -0.018 | 50.132 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | B | 327 | HOH | 0 | 0.005 | -0.006 | 44.139 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | B | 328 | HOH | 0 | -0.008 | -0.012 | 40.972 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | B | 329 | HOH | 0 | -0.017 | -0.010 | 29.375 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | B | 330 | HOH | 0 | -0.018 | -0.009 | 22.538 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | B | 331 | HOH | 0 | -0.003 | -0.012 | 32.740 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | B | 332 | HOH | 0 | -0.017 | -0.019 | 28.080 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | B | 333 | HOH | 0 | 0.001 | 0.006 | 57.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | B | 334 | HOH | 0 | -0.012 | -0.017 | 31.707 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | B | 335 | HOH | 0 | -0.050 | -0.042 | 57.490 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | B | 336 | HOH | 0 | 0.019 | 0.005 | 24.354 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | B | 337 | HOH | 0 | -0.033 | -0.037 | 51.201 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | B | 338 | HOH | 0 | -0.002 | 0.013 | 45.348 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | B | 339 | HOH | 0 | -0.009 | -0.011 | 36.502 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | B | 340 | HOH | 0 | -0.012 | -0.023 | 23.760 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | B | 341 | HOH | 0 | -0.025 | -0.012 | 30.789 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | B | 342 | HOH | 0 | -0.043 | -0.041 | 45.320 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | B | 343 | HOH | 0 | -0.004 | -0.016 | 38.568 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | B | 344 | HOH | 0 | 0.025 | 0.021 | 34.644 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | B | 345 | HOH | 0 | 0.003 | -0.008 | 49.388 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | B | 346 | HOH | 0 | 0.050 | 0.039 | 50.830 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | B | 347 | HOH | 0 | -0.011 | -0.034 | 31.964 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | B | 348 | HOH | 0 | -0.035 | -0.027 | 57.589 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | B | 349 | HOH | 0 | 0.000 | -0.011 | 32.948 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | B | 350 | HOH | 0 | 0.013 | -0.018 | 19.852 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | B | 351 | HOH | 0 | -0.029 | -0.045 | 31.409 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | B | 352 | HOH | 0 | 0.003 | -0.001 | 17.620 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | B | 353 | HOH | 0 | -0.026 | -0.021 | 15.294 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | B | 354 | HOH | 0 | -0.019 | -0.010 | 49.378 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | B | 355 | HOH | 0 | -0.003 | -0.009 | 47.018 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | B | 356 | HOH | 0 | -0.025 | -0.029 | 49.652 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | B | 357 | HOH | 0 | -0.016 | -0.012 | 19.535 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | B | 358 | HOH | 0 | -0.019 | -0.028 | 49.562 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | B | 359 | HOH | 0 | -0.037 | -0.047 | 65.374 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | B | 360 | HOH | 0 | 0.006 | 0.005 | 24.683 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | B | 361 | HOH | 0 | -0.008 | -0.020 | 36.419 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | B | 362 | HOH | 0 | -0.006 | -0.004 | 27.439 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | B | 363 | HOH | 0 | 0.013 | 0.003 | 37.629 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | B | 364 | HOH | 0 | 0.028 | 0.011 | 36.430 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | B | 365 | HOH | 0 | -0.009 | -0.015 | 42.857 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | B | 366 | HOH | 0 | 0.023 | -0.004 | 53.870 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | B | 367 | HOH | 0 | -0.034 | -0.033 | 26.905 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | B | 368 | HOH | 0 | 0.032 | 0.006 | 26.376 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | B | 369 | HOH | 0 | -0.008 | -0.014 | 38.812 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | B | 370 | HOH | 0 | -0.025 | -0.032 | 29.212 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | B | 371 | HOH | 0 | -0.011 | -0.011 | 27.233 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | B | 372 | HOH | 0 | -0.021 | -0.013 | 48.233 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | B | 373 | HOH | 0 | -0.016 | -0.022 | 52.048 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | B | 374 | HOH | 0 | -0.024 | -0.019 | 62.529 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | B | 375 | HOH | 0 | -0.013 | -0.014 | 36.698 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | B | 376 | HOH | 0 | -0.019 | -0.013 | 52.303 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | B | 377 | HOH | 0 | -0.024 | -0.021 | 27.878 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
902 | B | 378 | HOH | 0 | -0.017 | -0.013 | 31.339 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | B | 379 | HOH | 0 | -0.003 | 0.003 | 23.243 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | B | 380 | HOH | 0 | -0.023 | -0.028 | 23.999 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | B | 381 | HOH | 0 | -0.002 | -0.020 | 24.711 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | B | 382 | HOH | 0 | 0.004 | -0.005 | 28.768 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
907 | B | 383 | HOH | 0 | -0.060 | -0.047 | 32.471 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
908 | B | 384 | HOH | 0 | 0.003 | -0.018 | 27.121 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
909 | B | 385 | HOH | 0 | -0.028 | -0.031 | 38.210 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | B | 386 | HOH | 0 | 0.036 | 0.023 | 69.480 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | B | 387 | HOH | 0 | -0.005 | -0.007 | 41.493 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | B | 388 | HOH | 0 | -0.013 | -0.026 | 26.267 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | B | 389 | HOH | 0 | -0.003 | -0.007 | 48.069 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | B | 390 | HOH | 0 | -0.030 | -0.034 | 62.014 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | B | 391 | HOH | 0 | 0.009 | -0.006 | 48.332 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | B | 392 | HOH | 0 | 0.001 | -0.004 | 57.113 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | B | 393 | HOH | 0 | -0.015 | -0.009 | 21.694 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | B | 394 | HOH | 0 | -0.033 | -0.028 | 60.431 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | B | 395 | HOH | 0 | 0.043 | 0.029 | 66.422 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | B | 396 | HOH | 0 | -0.009 | -0.015 | 64.817 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | B | 397 | HOH | 0 | -0.009 | -0.019 | 14.218 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | B | 398 | HOH | 0 | -0.004 | -0.015 | 35.563 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | B | 399 | HOH | 0 | 0.003 | -0.004 | 52.538 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
924 | B | 400 | HOH | 0 | -0.016 | -0.002 | 41.457 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
925 | B | 401 | HOH | 0 | 0.004 | 0.010 | 23.715 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
926 | B | 402 | HOH | 0 | 0.035 | 0.021 | 33.043 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
927 | B | 403 | HOH | 0 | -0.029 | -0.031 | 33.643 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
928 | B | 404 | HOH | 0 | -0.034 | -0.033 | 44.306 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
929 | B | 405 | HOH | 0 | -0.024 | -0.035 | 43.976 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
930 | B | 406 | HOH | 0 | -0.006 | -0.012 | 22.729 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
931 | B | 407 | HOH | 0 | -0.012 | -0.015 | 16.488 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
932 | B | 408 | HOH | 0 | -0.015 | -0.011 | 44.728 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
933 | B | 409 | HOH | 0 | -0.012 | -0.020 | 48.740 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
934 | B | 410 | HOH | 0 | -0.042 | -0.033 | 58.136 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
935 | B | 411 | HOH | 0 | 0.015 | -0.003 | 56.712 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
936 | B | 412 | HOH | 0 | -0.008 | -0.008 | 14.826 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
937 | B | 413 | HOH | 0 | -0.006 | -0.001 | 17.696 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
938 | B | 414 | HOH | 0 | -0.032 | -0.020 | 28.687 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
939 | B | 415 | HOH | 0 | 0.028 | 0.015 | 17.992 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
940 | B | 416 | HOH | 0 | 0.002 | -0.006 | 33.671 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
941 | B | 417 | HOH | 0 | -0.022 | -0.024 | 55.546 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
942 | B | 418 | HOH | 0 | -0.011 | -0.021 | 37.630 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
943 | B | 419 | HOH | 0 | 0.001 | -0.004 | 34.087 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
944 | B | 420 | HOH | 0 | -0.052 | -0.036 | 32.147 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
945 | B | 421 | HOH | 0 | -0.009 | -0.010 | 48.484 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
946 | B | 422 | HOH | 0 | -0.027 | -0.027 | 64.544 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
947 | B | 423 | HOH | 0 | 0.022 | 0.018 | 16.988 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
948 | B | 424 | HOH | 0 | -0.009 | -0.014 | 52.296 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
949 | B | 425 | HOH | 0 | -0.051 | -0.036 | 39.537 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
950 | B | 426 | HOH | 0 | -0.012 | -0.019 | 31.791 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
951 | B | 427 | HOH | 0 | -0.014 | -0.014 | 65.148 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
952 | B | 428 | HOH | 0 | 0.006 | 0.004 | 51.805 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
953 | B | 429 | HOH | 0 | -0.010 | -0.003 | 22.371 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
954 | B | 430 | HOH | 0 | 0.023 | 0.004 | 47.900 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
955 | B | 431 | HOH | 0 | 0.002 | 0.006 | 20.094 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
956 | B | 432 | HOH | 0 | -0.009 | -0.007 | 21.809 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
957 | B | 433 | HOH | 0 | -0.042 | -0.029 | 29.016 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
958 | B | 434 | HOH | 0 | -0.014 | -0.026 | 60.399 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
959 | B | 435 | HOH | 0 | -0.005 | -0.018 | 37.127 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
960 | B | 436 | HOH | 0 | 0.039 | 0.017 | 50.852 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
961 | B | 437 | HOH | 0 | 0.004 | -0.011 | 30.857 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
962 | B | 438 | HOH | 0 | 0.012 | 0.008 | 31.504 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
963 | B | 439 | HOH | 0 | 0.013 | 0.005 | 10.609 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
964 | B | 440 | HOH | 0 | -0.020 | -0.027 | 61.702 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
965 | B | 441 | HOH | 0 | 0.033 | 0.024 | 36.036 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
966 | B | 442 | HOH | 0 | -0.025 | -0.019 | 35.982 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
967 | B | 443 | HOH | 0 | 0.009 | 0.004 | 19.458 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
968 | B | 444 | HOH | 0 | -0.024 | -0.013 | 56.812 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
969 | B | 445 | HOH | 0 | -0.035 | -0.030 | 57.655 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
970 | B | 446 | HOH | 0 | -0.005 | -0.007 | 11.556 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
971 | B | 447 | HOH | 0 | -0.013 | -0.015 | 29.925 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
972 | B | 448 | HOH | 0 | 0.016 | 0.001 | 40.667 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
973 | B | 449 | HOH | 0 | 0.021 | 0.008 | 52.429 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
974 | B | 450 | HOH | 0 | 0.001 | -0.022 | 54.986 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
975 | B | 451 | HOH | 0 | -0.014 | -0.004 | 42.770 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
976 | B | 452 | HOH | 0 | -0.045 | -0.033 | 16.519 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
977 | B | 453 | HOH | 0 | 0.004 | -0.002 | 44.259 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
978 | B | 454 | HOH | 0 | 0.003 | -0.007 | 43.692 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
979 | B | 455 | HOH | 0 | -0.022 | -0.032 | 55.342 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
980 | B | 456 | HOH | 0 | -0.038 | -0.036 | 34.539 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
981 | B | 457 | HOH | 0 | -0.019 | -0.017 | 21.535 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
982 | B | 458 | HOH | 0 | -0.017 | -0.016 | 38.680 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
983 | B | 459 | HOH | 0 | 0.028 | 0.022 | 39.519 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
984 | B | 460 | HOH | 0 | 0.012 | 0.002 | 29.113 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
985 | B | 461 | HOH | 0 | 0.006 | 0.001 | 50.721 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
986 | B | 462 | HOH | 0 | -0.027 | -0.034 | 29.457 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
987 | B | 463 | HOH | 0 | -0.013 | -0.008 | 42.414 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
988 | B | 464 | HOH | 0 | -0.021 | -0.010 | 19.829 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
989 | B | 465 | HOH | 0 | -0.023 | -0.027 | 45.699 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
990 | B | 466 | HOH | 0 | -0.005 | -0.024 | 40.597 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
991 | B | 467 | HOH | 0 | -0.038 | -0.032 | 34.999 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
992 | B | 468 | HOH | 0 | -0.044 | -0.036 | 32.516 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
993 | B | 469 | HOH | 0 | -0.018 | -0.019 | 40.084 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
994 | B | 470 | HOH | 0 | 0.003 | -0.007 | 21.258 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
995 | B | 471 | HOH | 0 | -0.005 | -0.003 | 46.954 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
996 | B | 472 | HOH | 0 | 0.016 | 0.014 | 22.735 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
997 | B | 473 | HOH | 0 | 0.039 | 0.027 | 48.957 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
998 | B | 474 | HOH | 0 | -0.001 | -0.008 | 17.367 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
999 | B | 475 | HOH | 0 | -0.024 | -0.021 | 33.374 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
1000 | B | 476 | HOH | 0 | -0.006 | -0.006 | 64.399 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
1001 | B | 477 | HOH | 0 | -0.022 | -0.021 | 38.598 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
1002 | B | 478 | HOH | 0 | 0.013 | 0.004 | 43.938 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
1003 | B | 479 | HOH | 0 | -0.007 | -0.012 | 53.640 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
1004 | B | 480 | HOH | 0 | -0.047 | -0.049 | 18.450 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
1005 | B | 481 | HOH | 0 | -0.020 | -0.017 | 44.492 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
1006 | B | 482 | HOH | 0 | -0.006 | -0.010 | 36.439 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
1007 | B | 483 | HOH | 0 | -0.045 | -0.032 | 62.970 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
1008 | B | 484 | HOH | 0 | -0.017 | -0.020 | 29.964 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
1009 | B | 485 | HOH | 0 | -0.018 | -0.010 | 50.163 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
1010 | B | 486 | HOH | 0 | -0.008 | -0.008 | 16.910 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
1011 | B | 487 | HOH | 0 | -0.036 | -0.027 | 46.101 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
1012 | B | 488 | HOH | 0 | 0.003 | -0.003 | 50.221 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
1013 | B | 489 | HOH | 0 | -0.026 | -0.019 | 31.113 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
1014 | B | 490 | HOH | 0 | 0.015 | 0.008 | 28.791 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
1015 | B | 491 | HOH | 0 | 0.036 | 0.028 | 56.559 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
1016 | B | 492 | HOH | 0 | 0.007 | 0.006 | 46.111 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
1017 | B | 493 | HOH | 0 | -0.054 | -0.047 | 9.509 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
1018 | B | 494 | HOH | 0 | -0.009 | -0.014 | 37.826 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
1019 | B | 495 | HOH | 0 | 0.001 | -0.002 | 18.857 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
1020 | B | 496 | HOH | 0 | -0.004 | -0.008 | 27.841 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
1021 | B | 497 | HOH | 0 | 0.025 | 0.016 | 27.675 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
1022 | B | 498 | HOH | 0 | 0.002 | -0.003 | 18.938 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
1023 | B | 499 | HOH | 0 | -0.011 | -0.005 | 22.463 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
1024 | B | 500 | HOH | 0 | 0.056 | 0.046 | 45.758 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
1025 | B | 501 | HOH | 0 | 0.008 | 0.008 | 49.197 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
1026 | B | 502 | HOH | 0 | -0.020 | -0.021 | 25.348 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
1027 | B | 503 | HOH | 0 | -0.028 | -0.029 | 52.615 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
1028 | B | 504 | HOH | 0 | -0.024 | -0.022 | 13.170 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
1029 | B | 505 | HOH | 0 | 0.005 | -0.001 | 18.763 | -0.360 | -0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
1030 | B | 506 | HOH | 0 | -0.027 | -0.025 | 35.394 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
1031 | B | 507 | HOH | 0 | 0.002 | -0.005 | 21.294 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
1032 | B | 508 | HOH | 0 | 0.004 | 0.006 | 44.990 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
1033 | B | 509 | HOH | 0 | 0.012 | 0.000 | 60.302 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
1034 | B | 510 | HOH | 0 | -0.010 | -0.005 | 24.439 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
1035 | B | 511 | HOH | 0 | -0.037 | -0.029 | 55.592 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1036 | B | 512 | HOH | 0 | -0.047 | -0.037 | 41.159 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
1037 | B | 513 | HOH | 0 | -0.005 | -0.007 | 15.949 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
1038 | B | 514 | HOH | 0 | 0.001 | 0.003 | 38.514 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
1039 | B | 515 | HOH | 0 | 0.002 | -0.001 | 18.688 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
1040 | B | 516 | HOH | 0 | -0.006 | -0.006 | 49.355 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
1041 | B | 517 | HOH | 0 | -0.019 | -0.013 | 29.252 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
1042 | B | 518 | HOH | 0 | -0.015 | -0.022 | 63.630 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
1043 | C | 701 | HOH | 0 | 0.023 | 0.019 | 59.782 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
1044 | C | 702 | HOH | 0 | -0.006 | -0.010 | 46.572 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
1045 | C | 703 | HOH | 0 | 0.010 | -0.003 | 18.806 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
1046 | C | 704 | HOH | 0 | -0.007 | -0.016 | 5.847 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
1047 | C | 705 | HOH | 0 | 0.002 | 0.000 | 29.626 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
1048 | C | 706 | HOH | 0 | 0.037 | 0.024 | 43.679 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
1049 | C | 707 | HOH | 0 | 0.003 | 0.004 | 12.376 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
1050 | C | 708 | HOH | 0 | -0.020 | -0.027 | 58.355 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
1051 | C | 709 | HOH | 0 | -0.009 | -0.014 | 25.333 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
1052 | C | 710 | HOH | 0 | -0.021 | -0.014 | 40.826 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
1053 | C | 711 | HOH | 0 | -0.049 | -0.040 | 63.588 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
1054 | C | 712 | HOH | 0 | 0.001 | -0.006 | 19.866 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
1055 | C | 713 | HOH | 0 | -0.011 | -0.017 | 28.235 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
1056 | C | 714 | HOH | 0 | 0.023 | 0.006 | 49.245 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
1057 | C | 715 | HOH | 0 | 0.019 | -0.009 | 39.018 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
1058 | C | 716 | HOH | 0 | -0.048 | -0.031 | 46.066 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
1059 | C | 717 | HOH | 0 | -0.039 | -0.024 | 48.012 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
1060 | C | 718 | HOH | 0 | 0.002 | -0.001 | 47.848 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
1061 | C | 719 | HOH | 0 | -0.026 | -0.020 | 38.276 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
1062 | C | 720 | HOH | 0 | -0.007 | -0.010 | 36.748 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
1063 | C | 721 | HOH | 0 | -0.004 | -0.002 | 35.263 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
1064 | C | 722 | HOH | 0 | -0.014 | -0.013 | 31.323 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
1065 | C | 723 | HOH | 0 | -0.011 | -0.007 | 45.297 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
1066 | C | 724 | HOH | 0 | -0.005 | -0.007 | 37.696 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
1067 | C | 725 | HOH | 0 | 0.010 | 0.001 | 24.323 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
1068 | C | 726 | HOH | 0 | -0.044 | -0.038 | 65.784 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
1069 | C | 727 | HOH | 0 | -0.021 | -0.030 | 29.923 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
1070 | C | 728 | HOH | 0 | 0.003 | -0.007 | 35.900 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
1071 | C | 729 | HOH | 0 | -0.002 | -0.016 | 31.827 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
1072 | C | 730 | HOH | 0 | 0.006 | 0.007 | 39.868 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
1073 | C | 731 | HOH | 0 | -0.020 | -0.015 | 13.093 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
1074 | C | 732 | HOH | 0 | 0.008 | -0.001 | 16.537 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
1075 | C | 733 | HOH | 0 | -0.020 | -0.018 | 23.409 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
1076 | C | 734 | HOH | 0 | -0.006 | -0.023 | 38.888 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
1077 | C | 735 | HOH | 0 | -0.022 | -0.024 | 44.443 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
1078 | C | 736 | HOH | 0 | 0.015 | -0.002 | 43.258 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
1079 | C | 737 | HOH | 0 | -0.001 | -0.005 | 59.278 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
1080 | C | 738 | HOH | 0 | -0.001 | -0.006 | 42.111 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
1081 | C | 739 | HOH | 0 | 0.008 | -0.003 | 35.816 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
1082 | C | 740 | HOH | 0 | -0.044 | -0.031 | 52.644 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
1083 | C | 741 | HOH | 0 | -0.013 | -0.012 | 35.345 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
1084 | C | 742 | HOH | 0 | 0.017 | 0.005 | 27.041 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
1085 | C | 743 | HOH | 0 | -0.018 | -0.015 | 32.794 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
1086 | C | 744 | HOH | 0 | -0.011 | -0.025 | 38.248 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
1087 | C | 745 | HOH | 0 | -0.004 | -0.004 | 23.714 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
1088 | C | 746 | HOH | 0 | -0.015 | -0.021 | 39.338 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
1089 | C | 747 | HOH | 0 | -0.018 | -0.021 | 32.945 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
1090 | C | 748 | HOH | 0 | -0.030 | -0.015 | 61.338 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
1091 | C | 749 | HOH | 0 | -0.001 | -0.025 | 18.357 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
1092 | C | 750 | HOH | 0 | 0.007 | -0.009 | 33.724 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
1093 | C | 751 | HOH | 0 | 0.007 | 0.003 | 22.294 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
1094 | C | 752 | HOH | 0 | -0.011 | -0.024 | 33.749 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
1095 | C | 753 | HOH | 0 | -0.003 | -0.018 | 19.984 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
1096 | C | 754 | HOH | 0 | 0.010 | -0.001 | 51.871 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
1097 | C | 755 | HOH | 0 | -0.009 | -0.023 | 17.870 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
1098 | C | 756 | HOH | 0 | -0.019 | -0.022 | 61.063 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
1099 | C | 757 | HOH | 0 | 0.002 | -0.011 | 32.489 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
1100 | C | 758 | HOH | 0 | -0.012 | -0.014 | 33.313 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
1101 | C | 759 | HOH | 0 | -0.027 | -0.022 | 51.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1102 | C | 760 | HOH | 0 | 0.023 | 0.003 | 11.085 | 0.767 | 0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
1103 | C | 761 | HOH | 0 | 0.013 | 0.002 | 42.059 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
1104 | C | 762 | HOH | 0 | -0.029 | -0.024 | 36.502 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
1105 | C | 763 | HOH | 0 | -0.021 | -0.016 | 58.848 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
1106 | C | 764 | HOH | 0 | 0.013 | -0.007 | 33.688 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
1107 | C | 765 | HOH | 0 | -0.018 | -0.005 | 45.540 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
1108 | C | 766 | HOH | 0 | -0.048 | -0.050 | 26.705 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
1109 | C | 767 | HOH | 0 | 0.014 | -0.003 | 13.713 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
1110 | C | 768 | HOH | 0 | -0.004 | -0.035 | 65.793 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
1111 | C | 769 | HOH | 0 | -0.043 | -0.036 | 30.619 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
1112 | C | 770 | HOH | 0 | 0.003 | -0.009 | 43.963 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
1113 | C | 771 | HOH | 0 | -0.005 | -0.004 | 43.121 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
1114 | C | 772 | HOH | 0 | -0.001 | -0.007 | 37.061 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
1115 | C | 773 | HOH | 0 | -0.010 | -0.016 | 40.032 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
1116 | C | 774 | HOH | 0 | -0.001 | -0.026 | 36.186 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
1117 | C | 775 | HOH | 0 | -0.029 | -0.026 | 63.558 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
1118 | C | 776 | HOH | 0 | -0.003 | -0.003 | 54.276 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
1119 | C | 777 | HOH | 0 | -0.026 | -0.023 | 43.470 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
1120 | C | 778 | HOH | 0 | 0.037 | 0.019 | 64.480 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1121 | C | 779 | HOH | 0 | 0.001 | 0.001 | 44.325 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
1122 | C | 780 | HOH | 0 | -0.015 | -0.008 | 18.850 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
1123 | C | 781 | HOH | 0 | -0.019 | -0.025 | 45.435 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
1124 | C | 782 | HOH | 0 | -0.014 | -0.017 | 14.598 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
1125 | C | 783 | HOH | 0 | 0.004 | -0.003 | 46.844 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
1126 | C | 784 | HOH | 0 | -0.015 | -0.022 | 29.188 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
1127 | C | 785 | HOH | 0 | 0.019 | 0.009 | 22.273 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
1128 | C | 786 | HOH | 0 | -0.011 | -0.002 | 18.956 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
1129 | C | 787 | HOH | 0 | -0.021 | -0.016 | 15.360 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
1130 | C | 788 | HOH | 0 | -0.018 | -0.019 | 11.004 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
1131 | C | 789 | HOH | 0 | -0.023 | -0.021 | 31.724 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
1132 | C | 790 | HOH | 0 | -0.014 | -0.010 | 37.025 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
1133 | C | 791 | HOH | 0 | 0.035 | 0.020 | 40.190 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
1134 | C | 792 | HOH | 0 | -0.044 | -0.031 | 16.919 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
1135 | C | 793 | HOH | 0 | -0.044 | -0.038 | 28.422 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
1136 | C | 794 | HOH | 0 | -0.015 | -0.012 | 56.926 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
1137 | C | 795 | HOH | 0 | -0.012 | -0.013 | 11.132 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
1138 | C | 796 | HOH | 0 | -0.025 | -0.020 | 13.105 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
1139 | C | 797 | HOH | 0 | -0.006 | -0.011 | 51.117 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
1140 | C | 798 | HOH | 0 | 0.008 | -0.005 | 24.668 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
1141 | C | 799 | HOH | 0 | -0.016 | -0.009 | 43.627 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
1142 | C | 800 | HOH | 0 | -0.018 | -0.014 | 22.160 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
1143 | C | 801 | HOH | 0 | -0.020 | -0.018 | 22.223 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
1144 | C | 802 | HOH | 0 | 0.036 | 0.028 | 27.173 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
1145 | C | 803 | HOH | 0 | -0.041 | -0.036 | 40.276 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
1146 | C | 804 | HOH | 0 | 0.015 | 0.008 | 25.238 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
1147 | C | 805 | HOH | 0 | -0.048 | -0.038 | 62.553 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
1148 | C | 806 | HOH | 0 | -0.047 | -0.034 | 65.152 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
1149 | C | 807 | HOH | 0 | -0.001 | -0.008 | 37.060 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
1150 | C | 808 | HOH | 0 | 0.007 | 0.001 | 37.661 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
1151 | C | 809 | HOH | 0 | -0.003 | -0.012 | 36.324 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
1152 | C | 810 | HOH | 0 | 0.027 | 0.020 | 55.839 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
1153 | C | 811 | HOH | 0 | -0.009 | -0.004 | 51.170 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
1154 | C | 812 | HOH | 0 | -0.013 | -0.024 | 22.809 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
1155 | C | 813 | HOH | 0 | -0.025 | -0.033 | 18.838 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
1156 | C | 814 | HOH | 0 | -0.016 | -0.013 | 31.764 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
1157 | C | 815 | HOH | 0 | -0.010 | -0.027 | 41.721 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
1158 | C | 816 | HOH | 0 | -0.027 | -0.023 | 21.488 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
1159 | C | 817 | HOH | 0 | -0.010 | -0.010 | 46.555 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
1160 | C | 818 | HOH | 0 | 0.019 | 0.006 | 39.967 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
1161 | C | 819 | HOH | 0 | -0.026 | -0.024 | 50.313 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
1162 | C | 820 | HOH | 0 | -0.019 | -0.024 | 48.076 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
1163 | C | 821 | HOH | 0 | -0.006 | -0.011 | 46.551 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
1164 | C | 822 | HOH | 0 | 0.010 | -0.008 | 49.580 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
1165 | C | 823 | HOH | 0 | 0.052 | 0.034 | 65.129 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
1166 | C | 824 | HOH | 0 | -0.006 | -0.006 | 44.904 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
1167 | C | 825 | HOH | 0 | -0.019 | -0.021 | 19.473 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
1168 | C | 826 | HOH | 0 | -0.027 | -0.020 | 37.417 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
1169 | C | 827 | HOH | 0 | -0.007 | 0.003 | 41.169 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
1170 | C | 828 | HOH | 0 | -0.010 | -0.021 | 23.315 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
1171 | C | 829 | HOH | 0 | -0.020 | -0.014 | 42.652 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
1172 | C | 830 | HOH | 0 | 0.008 | 0.003 | 39.742 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
1173 | C | 831 | HOH | 0 | 0.004 | -0.012 | 8.599 | 1.237 | 1.237 | 0.000 | 0.000 | 0.000 | 0.000 |
1174 | C | 832 | HOH | 0 | -0.055 | -0.041 | 62.935 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
1175 | C | 833 | HOH | 0 | 0.035 | 0.023 | 41.386 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
1176 | C | 834 | HOH | 0 | 0.046 | 0.020 | 58.683 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
1177 | C | 835 | HOH | 0 | -0.010 | -0.015 | 27.456 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
1178 | C | 836 | HOH | 0 | 0.037 | 0.022 | 31.668 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
1179 | C | 837 | HOH | 0 | -0.041 | -0.027 | 56.776 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
1180 | C | 838 | HOH | 0 | 0.020 | 0.014 | 42.008 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
1181 | C | 839 | HOH | 0 | 0.003 | 0.000 | 64.846 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
1182 | C | 840 | HOH | 0 | -0.028 | -0.022 | 34.548 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
1183 | C | 841 | HOH | 0 | 0.002 | -0.004 | 5.150 | -1.858 | -1.858 | 0.000 | 0.000 | 0.000 | 0.000 |
1184 | C | 842 | HOH | 0 | 0.047 | 0.030 | 43.388 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
1185 | C | 843 | HOH | 0 | 0.013 | 0.004 | 25.321 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
1186 | C | 844 | HOH | 0 | -0.010 | -0.011 | 68.868 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
1187 | C | 845 | HOH | 0 | -0.012 | -0.009 | 16.531 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
1188 | C | 846 | HOH | 0 | -0.012 | -0.004 | 25.217 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
1189 | C | 847 | HOH | 0 | 0.029 | 0.019 | 40.383 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
1190 | C | 848 | HOH | 0 | -0.004 | -0.012 | 35.184 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
1191 | C | 849 | HOH | 0 | -0.020 | -0.007 | 31.237 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
1192 | C | 850 | HOH | 0 | -0.028 | -0.023 | 70.075 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
1193 | C | 851 | HOH | 0 | -0.026 | -0.024 | 28.971 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
1194 | C | 852 | HOH | 0 | -0.018 | -0.023 | 48.165 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
1195 | C | 853 | HOH | 0 | -0.060 | -0.051 | 43.222 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
1196 | C | 854 | HOH | 0 | -0.026 | -0.014 | 31.745 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
1197 | C | 855 | HOH | 0 | -0.010 | -0.011 | 44.222 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
1198 | C | 856 | HOH | 0 | -0.036 | -0.031 | 37.287 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
1199 | C | 857 | HOH | 0 | 0.013 | 0.007 | 46.787 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
1200 | C | 858 | HOH | 0 | -0.024 | -0.021 | 41.981 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
1201 | C | 859 | HOH | 0 | 0.000 | 0.000 | 46.538 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
1202 | C | 860 | HOH | 0 | -0.005 | -0.009 | 65.787 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
1203 | C | 861 | HOH | 0 | 0.007 | -0.001 | 48.004 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
1204 | C | 862 | HOH | 0 | -0.019 | -0.008 | 25.421 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
1205 | C | 863 | HOH | 0 | 0.004 | -0.002 | 49.919 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
1206 | C | 864 | HOH | 0 | 0.035 | 0.026 | 36.871 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
1207 | C | 865 | HOH | 0 | 0.001 | 0.000 | 42.892 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
1208 | C | 866 | HOH | 0 | 0.000 | 0.000 | 10.704 | -0.881 | -0.881 | 0.000 | 0.000 | 0.000 | 0.000 |