FMODB ID: 6314Z
Calculation Name: 5RM8-B-Xray89
Preferred Name:
Target Type:
Ligand Name: methyl (2~{s},4~{r})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
ligand 3-letter code: GQJ
PDB ID: 5RM8
Chain ID: B
Base Structure: X-ray
Registration Date: 2021-02-01
Reference: T. Ohyama, K. Kamisaka, C. Watanabe, T. Honma et. al., FMO-based interaction energy analysis of SARS-Cov-2 related protein and ligand complexes, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHLSideSolv |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | Waters within average of the temperature factors of receptor. |
Procedure | Auto-FMO protocol ver. 1.20200406 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 755 |
LigandCharge | CYM=-1 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13453038.52562 |
---|---|
FMO2-HF: Nuclear repulsion | 13207881.834707 |
FMO2-HF: Total energy | -245156.690913 |
FMO2-MP2: Total energy | -245853.864063 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:2:VAL )
Summations of interaction energy for
fragment #1(B:2:VAL )
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-12.918 | -8.807 | 14.486 | -7.339 | -11.258 | -0.036 |
Interaction energy analysis for fragmet #1(B:2:VAL )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | B | 4 | ALA | 0 | 0.005 | 0.008 | 3.828 | -1.219 | 1.048 | -0.029 | -1.160 | -1.078 | 0.001 |
4 | B | 5 | CYM | -1 | -0.836 | -0.796 | 6.843 | 0.864 | 0.864 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | -0.007 | -0.012 | 9.138 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | -0.017 | -0.044 | 11.959 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.047 | -0.022 | 12.431 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | 0.000 | 0.000 | 10.643 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | -0.002 | -0.003 | 9.306 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.044 | 0.017 | 4.021 | 0.258 | 0.384 | -0.001 | -0.012 | -0.113 | 0.000 |
11 | B | 12 | THR | 0 | -0.016 | -0.008 | 4.094 | -0.123 | 0.170 | 0.000 | -0.068 | -0.225 | 0.000 |
12 | B | 13 | SER | 0 | -0.046 | -0.016 | 2.209 | -2.795 | -0.496 | 4.470 | -3.483 | -3.285 | -0.021 |
13 | B | 14 | LEU | 0 | -0.025 | -0.006 | 3.232 | 1.154 | 0.313 | 0.011 | 1.201 | -0.372 | -0.001 |
14 | B | 15 | ARG | 1 | 0.928 | 0.978 | 4.739 | -4.537 | -4.377 | -0.001 | -0.018 | -0.140 | 0.000 |
15 | B | 16 | CYS | 0 | -0.069 | 0.006 | 7.548 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | 0.038 | -0.013 | 11.359 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | -0.002 | -0.005 | 12.735 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | -0.060 | -0.012 | 13.667 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | 0.007 | 0.002 | 14.368 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.758 | 0.862 | 13.545 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.882 | 0.957 | 9.555 | -0.780 | -0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.005 | 0.025 | 8.861 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.038 | 0.005 | 2.557 | -2.583 | -2.108 | 2.797 | -0.921 | -2.352 | 0.003 |
24 | B | 25 | LEU | 0 | -0.018 | -0.008 | 7.023 | -0.594 | -0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | 0.001 | -0.049 | 7.867 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | -0.020 | 0.020 | 9.221 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.854 | 0.937 | 11.149 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.070 | 0.021 | 12.300 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.057 | -0.016 | 10.357 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.059 | 0.040 | 12.692 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.780 | -0.882 | 15.817 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 1 | 0.827 | 0.921 | 14.444 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | -0.017 | -0.012 | 14.771 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.038 | -0.023 | 17.608 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.037 | -0.011 | 20.386 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.021 | -0.006 | 19.381 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.002 | 0.004 | 21.641 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | 0.033 | 0.001 | 16.716 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.908 | 0.954 | 17.381 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | -0.016 | 0.017 | 13.420 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | 0.004 | -0.004 | 9.894 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.037 | -0.019 | 8.009 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | 0.067 | 0.033 | 5.593 | 0.785 | 0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | -0.008 | -0.001 | 3.535 | 0.106 | 0.429 | 0.010 | -0.051 | -0.282 | 0.000 |
45 | B | 46 | ASN | 0 | 0.023 | 0.018 | 5.569 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | -0.012 | -0.009 | 9.095 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.068 | -0.055 | 8.663 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.050 | 0.020 | 13.011 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYS | 0 | -0.052 | 0.015 | 16.380 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | -0.007 | -0.008 | 15.392 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.014 | 0.016 | 19.225 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | 0.033 | -0.007 | 23.009 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | -0.006 | 0.003 | 24.700 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.092 | -0.041 | 23.213 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.866 | -0.924 | 22.549 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | -0.005 | -0.019 | 20.698 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.021 | -0.011 | 17.767 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.832 | -0.887 | 17.358 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.057 | 0.011 | 13.896 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.060 | -0.055 | 16.901 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.076 | -0.030 | 19.961 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | -0.022 | -0.004 | 16.219 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | -0.014 | -0.013 | 17.884 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.013 | 0.016 | 12.781 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | -0.022 | -0.025 | 16.266 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.027 | 0.019 | 18.500 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.013 | -0.027 | 13.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | 0.026 | 0.033 | 13.987 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | 0.005 | -0.009 | 9.618 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.021 | 0.010 | 16.263 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | 0.025 | 0.027 | 19.804 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 1.003 | 0.978 | 22.029 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.012 | -0.022 | 24.980 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 0 | 0.050 | 0.005 | 23.780 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.835 | 0.953 | 22.219 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.046 | 0.043 | 21.721 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | 0.018 | -0.008 | 24.722 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.000 | 0.004 | 21.950 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.021 | 0.007 | 20.159 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | 0.002 | 0.023 | 14.149 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | 0.017 | 0.019 | 17.831 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | 0.015 | 0.015 | 12.741 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | 0.011 | 0.026 | 14.814 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.042 | 0.029 | 16.886 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | 0.029 | 0.036 | 18.224 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.015 | 0.021 | 19.061 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | 0.011 | 0.000 | 13.943 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.019 | 0.013 | 11.532 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | 0.028 | -0.001 | 10.642 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.069 | 0.036 | 7.517 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | -0.013 | 0.002 | 3.613 | -0.603 | -0.187 | 0.013 | -0.079 | -0.350 | 0.000 |
92 | B | 93 | TYR | 0 | 0.004 | -0.007 | 2.467 | -0.861 | -0.377 | 0.862 | -0.251 | -1.094 | 0.000 |
93 | B | 94 | LYS | 1 | 0.912 | 0.934 | 7.493 | -0.360 | -0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | -0.044 | -0.016 | 10.647 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | 0.012 | 0.016 | 9.056 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.047 | -0.026 | 10.199 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.014 | 0.015 | 12.669 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.053 | -0.021 | 15.023 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.038 | -0.039 | 16.664 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.864 | -0.917 | 19.201 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | -0.030 | -0.025 | 22.276 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | -0.014 | 0.008 | 17.527 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | 0.030 | 0.000 | 20.187 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.803 | -0.897 | 22.450 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | -0.012 | -0.010 | 13.888 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.022 | 0.008 | 19.185 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.039 | 0.033 | 20.558 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | 0.020 | 0.019 | 19.732 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.028 | -0.013 | 17.645 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.062 | -0.037 | 19.314 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | -0.015 | 0.044 | 22.393 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.766 | -0.833 | 24.501 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | -0.014 | -0.016 | 22.057 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | 0.007 | -0.009 | 27.911 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.018 | -0.010 | 30.457 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | ALA | 0 | 0.058 | 0.020 | 31.460 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | 0.003 | -0.010 | 31.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.787 | -0.867 | 27.219 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | TYR | 0 | -0.014 | -0.034 | 27.125 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | -0.012 | 0.005 | 28.950 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.025 | 0.043 | 24.667 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | ALA | 0 | -0.013 | -0.010 | 24.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | 0.024 | 0.008 | 24.969 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.060 | -0.038 | 27.437 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.014 | 0.032 | 22.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.048 | 0.019 | 19.853 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.706 | -0.837 | 21.205 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.953 | 0.967 | 12.223 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.025 | 0.007 | 17.236 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.863 | 0.961 | 19.105 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | -0.008 | 0.006 | 17.100 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.009 | 0.005 | 14.802 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.037 | 0.011 | 17.056 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | 0.014 | 0.019 | 20.658 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.761 | -0.871 | 14.097 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.025 | -0.019 | 17.723 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.033 | 0.022 | 19.213 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.945 | 0.983 | 21.117 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.014 | -0.006 | 18.342 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | -0.010 | -0.020 | 20.422 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.725 | -0.802 | 23.065 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.749 | -0.863 | 22.618 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.017 | -0.012 | 21.707 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | -0.004 | 0.000 | 24.106 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.794 | 0.907 | 27.228 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | -0.002 | -0.007 | 23.958 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.093 | -0.047 | 28.433 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | -0.012 | -0.003 | 30.498 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | -0.011 | -0.004 | 33.166 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.031 | -0.030 | 33.284 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | -0.013 | 0.010 | 36.586 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | -0.005 | -0.016 | 39.875 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | -0.022 | -0.005 | 42.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.898 | 0.943 | 45.424 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.842 | -0.921 | 48.264 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.038 | -0.017 | 49.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | -0.032 | -0.024 | 51.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.060 | 0.041 | 53.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.797 | -0.889 | 51.517 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.783 | 0.883 | 46.919 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.932 | -0.972 | 50.016 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | 0.003 | 0.007 | 45.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 0.027 | 0.021 | 49.402 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.017 | -0.009 | 42.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | -0.003 | 0.001 | 44.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.019 | -0.026 | 38.495 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.759 | -0.843 | 34.864 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.027 | 0.010 | 39.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.015 | 0.006 | 37.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.873 | 0.944 | 31.531 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | 0.004 | 0.011 | 34.694 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.921 | 0.946 | 36.777 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | -0.002 | 0.015 | 35.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | -0.009 | -0.006 | 37.044 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.020 | 0.003 | 39.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.007 | -0.014 | 40.070 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.838 | 0.873 | 40.068 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.033 | -0.006 | 36.453 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | -0.009 | 0.003 | 34.443 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | 0.013 | 0.005 | 34.729 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.044 | -0.033 | 34.358 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.028 | 0.021 | 32.999 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | 0.030 | 0.005 | 35.539 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.024 | -0.008 | 31.387 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.913 | 0.956 | 37.542 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | 0.021 | -0.010 | 38.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.065 | -0.036 | 37.242 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.982 | 0.973 | 39.537 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.008 | -0.004 | 35.576 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.035 | 0.030 | 31.970 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.948 | 1.004 | 29.572 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.015 | 0.013 | 33.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.001 | -0.005 | 30.861 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | -0.025 | -0.002 | 35.570 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.049 | 0.022 | 37.262 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.809 | -0.895 | 33.163 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.042 | -0.002 | 37.391 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | 0.015 | 0.028 | 38.828 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | 0.012 | 0.008 | 39.978 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.758 | -0.835 | 43.532 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.887 | 0.934 | 46.339 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.075 | 0.039 | 48.995 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.061 | -0.012 | 52.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | -0.013 | -0.018 | 51.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | 0.045 | 0.014 | 50.664 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.077 | -0.031 | 45.568 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.051 | 0.025 | 48.139 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.001 | 0.006 | 44.628 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.836 | 0.904 | 44.336 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | 0.006 | -0.006 | 42.694 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | -0.050 | -0.027 | 39.009 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.058 | 0.019 | 40.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.051 | -0.009 | 43.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.071 | 0.028 | 41.380 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.818 | 0.895 | 46.297 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | -0.001 | 0.001 | 44.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | 0.025 | 0.036 | 44.889 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.024 | -0.019 | 45.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | -0.018 | -0.006 | 44.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.853 | -0.921 | 41.405 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | 0.002 | -0.004 | 33.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.025 | -0.020 | 37.103 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | 0.004 | -0.004 | 31.241 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | 0.016 | 0.014 | 31.760 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.009 | -0.026 | 27.884 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.076 | -0.041 | 24.842 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | 0.006 | -0.003 | 23.554 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.006 | -0.010 | 17.171 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | -0.012 | 0.020 | 17.812 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.042 | 0.023 | 14.525 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | 0.006 | 0.009 | 11.200 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.040 | 0.001 | 14.074 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.056 | -0.043 | 14.095 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | -0.009 | 0.012 | 15.612 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.032 | 0.030 | 19.319 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.038 | -0.036 | 21.606 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.018 | 0.002 | 24.574 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.034 | 0.035 | 24.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.019 | 0.000 | 24.388 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.032 | 0.001 | 27.318 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.824 | -0.871 | 29.632 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | 0.024 | 0.019 | 33.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.056 | -0.044 | 32.812 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.031 | 0.014 | 38.928 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.963 | 0.971 | 41.654 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | 0.011 | 0.019 | 41.232 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | 0.002 | 0.000 | 36.382 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.018 | 0.000 | 37.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.005 | 0.016 | 38.183 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | 0.026 | 0.007 | 40.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | 0.018 | 0.022 | 44.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | 0.000 | 0.008 | 47.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | 0.013 | 0.014 | 50.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.031 | -0.011 | 53.966 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | -0.013 | -0.004 | 50.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.037 | 0.020 | 53.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.872 | -0.949 | 54.899 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.774 | -0.853 | 54.120 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.076 | -0.037 | 49.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.056 | 0.035 | 51.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | 0.025 | 0.022 | 52.648 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.014 | 0.006 | 47.769 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.070 | 0.048 | 48.200 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.016 | 0.016 | 48.370 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.028 | -0.013 | 45.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.028 | 0.011 | 44.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | -0.002 | 0.022 | 43.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.903 | 0.951 | 41.579 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.006 | 0.005 | 38.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.045 | 0.021 | 38.658 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.062 | -0.029 | 39.627 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | 0.010 | -0.012 | 36.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.773 | 0.918 | 28.814 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | 0.006 | 0.001 | 30.225 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | -0.001 | 0.007 | 33.844 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.011 | -0.028 | 35.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.002 | -0.007 | 37.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | 0.028 | 0.008 | 40.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.004 | -0.013 | 42.629 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | 0.000 | 0.031 | 44.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.008 | 0.006 | 46.834 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.039 | 0.021 | 48.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.027 | -0.023 | 47.750 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | -0.007 | 0.009 | 48.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.893 | 0.946 | 41.871 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.059 | 0.023 | 43.523 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.011 | -0.002 | 44.566 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.006 | 0.002 | 41.864 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.030 | 0.001 | 40.891 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.012 | 0.005 | 42.445 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.066 | 0.024 | 44.589 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.032 | -0.006 | 40.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.006 | -0.004 | 42.620 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | -0.013 | 0.000 | 44.003 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.036 | -0.017 | 45.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.017 | -0.038 | 42.637 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.029 | 0.033 | 43.738 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | 0.015 | 0.009 | 43.213 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.065 | -0.015 | 39.453 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.860 | 0.926 | 31.524 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.038 | -0.021 | 36.402 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.006 | 0.013 | 31.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.030 | -0.033 | 34.392 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.011 | -0.024 | 30.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.038 | 0.015 | 32.679 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.049 | -0.013 | 30.009 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | -0.014 | -0.002 | 31.708 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.099 | 0.036 | 32.280 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | 0.048 | 0.034 | 36.205 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.017 | 0.012 | 36.749 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.020 | 0.008 | 34.228 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.725 | -0.853 | 37.586 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | -0.013 | 0.003 | 40.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.046 | -0.022 | 37.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.033 | -0.005 | 39.742 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.785 | -0.872 | 42.468 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.813 | 0.928 | 45.079 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.024 | 0.000 | 43.345 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.023 | 0.003 | 45.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.885 | 0.958 | 47.591 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.105 | -0.089 | 48.498 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | -0.011 | 0.002 | 43.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.018 | 0.009 | 46.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.077 | 0.031 | 45.824 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.851 | -0.915 | 44.728 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.849 | 0.914 | 42.779 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.042 | -0.006 | 40.670 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.037 | -0.029 | 36.935 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.818 | 0.893 | 34.471 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.031 | -0.025 | 30.321 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.018 | -0.003 | 33.370 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.033 | -0.005 | 28.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.013 | 0.000 | 29.901 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | 0.001 | 0.009 | 28.550 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | 0.020 | -0.002 | 33.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.055 | -0.046 | 34.143 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.963 | -0.956 | 36.784 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.061 | -0.029 | 37.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | 0.023 | -0.007 | 40.022 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.889 | -0.918 | 40.745 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.892 | 0.952 | 43.094 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.024 | -0.010 | 40.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.883 | 0.950 | 39.700 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.050 | 0.029 | 36.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.053 | -0.019 | 32.950 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | 0.003 | 0.002 | 34.042 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.041 | -0.012 | 29.550 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.001 | -0.007 | 32.105 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.830 | -0.865 | 34.983 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.065 | -0.040 | 36.970 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | -0.016 | -0.034 | 38.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | -0.006 | 0.003 | 32.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.031 | 0.007 | 35.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | -0.010 | -0.010 | 30.047 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.009 | 0.028 | 30.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.043 | 0.011 | 25.799 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.044 | -0.018 | 25.112 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | -0.008 | 0.001 | 25.249 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.007 | 0.009 | 25.824 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | 0.024 | 0.019 | 25.026 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.854 | -0.897 | 19.861 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.021 | -0.007 | 24.393 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | 0.005 | 0.009 | 27.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | 0.003 | 0.005 | 29.408 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.767 | -0.855 | 32.644 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.020 | -0.034 | 35.298 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.026 | 0.031 | 30.280 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.011 | -0.005 | 33.559 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.015 | -0.007 | 28.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.765 | -0.841 | 33.922 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.797 | -0.843 | 35.250 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.029 | 0.002 | 31.686 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.022 | 0.010 | 33.844 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.041 | 0.005 | 34.378 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | 0.001 | 0.023 | 29.745 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.027 | -0.005 | 26.505 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.045 | -0.027 | 24.274 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | -0.013 | -0.021 | 18.144 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.779 | -0.853 | 22.891 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.051 | -0.004 | 25.498 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.038 | 0.031 | 20.114 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.004 | -0.004 | 20.740 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | 0.010 | 0.001 | 22.284 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.047 | -0.020 | 23.294 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.051 | -0.014 | 19.125 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.795 | 0.886 | 20.422 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.040 | 0.024 | 23.250 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.916 | 0.961 | 22.301 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.019 | -0.002 | 26.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.799 | 0.910 | 30.161 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.824 | 0.904 | 32.729 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | 0.010 | 0.011 | 26.867 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.002 | -0.003 | 33.315 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | -0.007 | -0.005 | 28.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.015 | -0.003 | 35.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.050 | 0.018 | 37.629 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.696 | -0.820 | 39.440 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.023 | 0.018 | 38.296 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | 0.024 | 0.020 | 39.697 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.090 | -0.052 | 41.485 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.036 | 0.018 | 39.713 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | 0.017 | 0.029 | 34.684 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.001 | 0.003 | 31.710 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.025 | -0.026 | 33.627 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.812 | 0.918 | 29.324 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.004 | -0.015 | 30.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | -0.027 | -0.010 | 26.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.081 | -0.016 | 31.091 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.009 | -0.010 | 33.260 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.825 | 0.920 | 33.312 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.055 | 0.018 | 35.929 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | -0.009 | -0.004 | 38.021 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | LEU | 0 | 0.029 | 0.028 | 32.463 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.798 | -0.900 | 36.279 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.002 | -0.002 | 36.087 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.831 | -0.888 | 35.736 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | -0.043 | -0.037 | 31.697 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.043 | 0.007 | 31.519 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.048 | 0.007 | 29.378 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.056 | 0.006 | 26.629 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | 0.010 | 0.018 | 29.710 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.065 | -0.035 | 32.722 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.858 | 0.921 | 30.702 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.002 | 0.021 | 31.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.040 | -0.019 | 35.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.859 | 0.925 | 37.516 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.047 | -0.026 | 35.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.004 | 0.003 | 36.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.040 | 0.051 | 39.253 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.040 | -0.021 | 39.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.773 | -0.821 | 38.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.061 | -0.009 | 40.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.027 | 0.011 | 43.624 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.047 | 0.000 | 45.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.071 | 0.022 | 48.419 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | 0.008 | 0.020 | 51.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.030 | -0.004 | 52.144 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.934 | 0.951 | 53.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.783 | 0.886 | 48.720 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.041 | -0.011 | 54.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.063 | 0.064 | 56.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.047 | -0.004 | 58.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.737 | -0.867 | 59.532 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.024 | -0.003 | 54.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.017 | -0.015 | 54.524 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.759 | -0.862 | 55.235 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.063 | -0.022 | 54.524 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.045 | 0.009 | 50.616 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.048 | -0.028 | 51.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | 0.006 | 0.011 | 52.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.060 | -0.009 | 49.792 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | -0.024 | -0.019 | 46.352 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.057 | -0.043 | 45.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.798 | -0.886 | 47.504 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | -0.013 | -0.009 | 50.723 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.843 | 0.910 | 46.703 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.066 | -0.013 | 50.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.915 | 0.958 | 52.859 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | 0.012 | 0.010 | 55.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | 0.017 | 0.014 | 57.771 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.808 | 0.903 | 58.356 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.762 | -0.849 | 61.345 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.825 | 0.917 | 63.101 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.023 | -0.027 | 62.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.019 | -0.007 | 65.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | 0.010 | 0.027 | 64.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.017 | 0.021 | 60.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.019 | 0.004 | 62.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.816 | 0.915 | 60.880 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | 0.016 | 0.019 | 61.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | 0.012 | 0.009 | 59.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.050 | 0.007 | 60.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.858 | 0.915 | 57.596 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.038 | 0.045 | 58.883 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.024 | 0.007 | 59.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | -0.008 | 0.024 | 52.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.040 | -0.009 | 54.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.071 | 0.037 | 49.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.762 | -0.857 | 48.654 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.038 | -0.014 | 44.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | -0.038 | -0.020 | 42.258 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.022 | -0.024 | 44.128 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.051 | 0.028 | 46.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.048 | -0.031 | 50.261 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | 0.001 | -0.030 | 53.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.960 | 0.969 | 56.724 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | 0.012 | 0.013 | 59.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.034 | 0.011 | 56.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.022 | -0.002 | 56.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.021 | -0.009 | 60.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.056 | 0.028 | 63.159 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | -0.027 | -0.009 | 59.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.904 | 0.939 | 63.186 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.792 | -0.894 | 65.410 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.028 | -0.008 | 64.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | -0.006 | -0.012 | 62.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.060 | -0.028 | 66.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.939 | 0.972 | 69.139 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.044 | -0.008 | 67.886 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.054 | 0.029 | 67.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.020 | 0.010 | 67.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | 0.020 | 0.002 | 61.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.939 | 0.969 | 62.861 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.869 | 0.956 | 61.789 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.011 | 0.008 | 59.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | 0.011 | 0.014 | 52.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | 0.003 | -0.002 | 53.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | -0.007 | -0.023 | 49.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | 0.001 | -0.012 | 50.431 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | -0.001 | -0.003 | 46.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | 0.023 | 0.028 | 46.048 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.018 | -0.004 | 45.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | 0.005 | -0.005 | 47.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.068 | 0.042 | 50.066 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.030 | -0.018 | 49.099 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | -0.006 | 0.007 | 50.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.029 | -0.023 | 52.718 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.024 | 0.008 | 55.428 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.060 | -0.031 | 54.402 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.942 | 0.964 | 55.319 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.032 | -0.012 | 58.954 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.057 | -0.024 | 58.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.011 | 0.024 | 59.866 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.036 | -0.002 | 58.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | -0.003 | 0.033 | 54.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | 0.022 | 0.001 | 51.708 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | 0.010 | 0.015 | 47.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | 0.003 | 0.018 | 43.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.028 | 0.011 | 45.642 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.760 | -0.832 | 40.813 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | 0.006 | 0.005 | 42.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.040 | -0.014 | 43.673 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.031 | 0.005 | 39.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | -0.006 | 0.001 | 43.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.029 | -0.013 | 44.886 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.887 | -0.943 | 48.156 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.075 | 0.024 | 49.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.765 | -0.817 | 55.035 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.028 | -0.023 | 58.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.012 | 0.011 | 53.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.015 | 0.007 | 56.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.046 | 0.006 | 50.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.017 | 0.028 | 54.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.097 | 0.028 | 51.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.053 | -0.026 | 51.676 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.037 | 0.009 | 49.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.747 | -0.792 | 51.697 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | 0.055 | 0.042 | 46.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.095 | 0.038 | 43.787 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 554 | HIS | 0 | -0.038 | -0.008 | 42.557 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 555 | SER | 0 | -0.038 | -0.043 | 44.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.049 | 0.000 | 47.847 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | 0.000 | 0.018 | 41.633 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 558 | VAL | 0 | 0.078 | 0.023 | 45.055 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | -0.003 | 0.006 | 40.763 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.803 | 0.878 | 40.652 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.041 | 0.003 | 45.260 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.005 | -0.019 | 45.688 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.022 | 0.015 | 43.750 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.019 | 0.000 | 47.209 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.020 | -0.004 | 49.878 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.005 | -0.016 | 49.390 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.820 | 0.906 | 46.876 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.015 | 0.015 | 51.752 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.875 | 0.936 | 55.211 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.033 | -0.017 | 57.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.044 | 0.030 | 60.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.032 | -0.024 | 55.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.020 | 0.034 | 59.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.041 | -0.011 | 55.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | -0.009 | -0.001 | 58.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.039 | -0.012 | 54.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.039 | -0.008 | 54.692 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.781 | -0.881 | 52.808 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.856 | 0.918 | 55.606 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.739 | -0.819 | 52.626 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | 0.004 | -0.003 | 50.413 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | 0.012 | 0.002 | 54.926 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.764 | -0.847 | 58.456 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.839 | 0.916 | 51.852 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.029 | 0.009 | 55.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | -0.008 | 0.019 | 58.084 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | -0.010 | -0.034 | 56.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.029 | 0.028 | 62.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | 0.010 | -0.001 | 65.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.053 | -0.033 | 65.944 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.858 | -0.922 | 67.568 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.124 | -0.083 | 66.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.948 | -0.959 | 69.031 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 801 | HOH | 0 | -0.029 | -0.027 | 44.884 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 802 | HOH | 0 | -0.029 | -0.045 | 44.221 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 803 | HOH | 0 | -0.019 | -0.029 | 56.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 804 | HOH | 0 | 0.000 | -0.009 | 42.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 805 | HOH | 0 | -0.027 | -0.027 | 59.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 806 | HOH | 0 | -0.022 | -0.035 | 14.896 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 807 | HOH | 0 | -0.024 | -0.027 | 41.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 808 | HOH | 0 | -0.019 | -0.011 | 45.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 809 | HOH | 0 | 0.012 | -0.005 | 34.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 810 | HOH | 0 | 0.034 | 0.028 | 17.541 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 813 | HOH | 0 | 0.008 | 0.004 | 46.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 814 | HOH | 0 | -0.039 | -0.035 | 32.557 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 815 | HOH | 0 | -0.003 | -0.004 | 42.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 816 | HOH | 0 | -0.014 | -0.017 | 29.155 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 817 | HOH | 0 | -0.038 | -0.027 | 44.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 818 | HOH | 0 | -0.019 | -0.025 | 59.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 819 | HOH | 0 | -0.024 | -0.037 | 28.851 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 820 | HOH | 0 | -0.012 | -0.008 | 24.401 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 822 | HOH | 0 | 0.005 | 0.003 | 29.666 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 824 | HOH | 0 | -0.009 | -0.011 | 45.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 825 | HOH | 0 | -0.012 | -0.017 | 38.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 826 | HOH | 0 | -0.030 | -0.032 | 51.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 827 | HOH | 0 | -0.012 | -0.014 | 41.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 829 | HOH | 0 | 0.006 | -0.007 | 36.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 830 | HOH | 0 | -0.027 | -0.019 | 22.988 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 831 | HOH | 0 | -0.024 | -0.024 | 46.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 832 | HOH | 0 | 0.005 | -0.018 | 27.485 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 833 | HOH | 0 | -0.005 | -0.025 | 31.909 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 835 | HOH | 0 | 0.023 | -0.006 | 31.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 836 | HOH | 0 | 0.001 | -0.006 | 21.749 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 838 | HOH | 0 | -0.014 | -0.011 | 56.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 839 | HOH | 0 | -0.048 | -0.038 | 63.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 840 | HOH | 0 | 0.012 | -0.012 | 58.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 841 | HOH | 0 | 0.010 | 0.004 | 50.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 843 | HOH | 0 | -0.044 | -0.032 | 35.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 844 | HOH | 0 | -0.012 | -0.016 | 37.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 845 | HOH | 0 | -0.020 | -0.016 | 15.377 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 846 | HOH | 0 | -0.041 | -0.036 | 47.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 849 | HOH | 0 | -0.032 | -0.027 | 34.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 853 | HOH | 0 | -0.022 | -0.024 | 16.726 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 854 | HOH | 0 | 0.027 | 0.013 | 44.211 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 855 | HOH | 0 | -0.028 | -0.026 | 22.998 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 856 | HOH | 0 | -0.008 | -0.018 | 57.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 857 | HOH | 0 | -0.056 | -0.053 | 31.712 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 859 | HOH | 0 | -0.002 | -0.011 | 42.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 862 | HOH | 0 | -0.011 | -0.021 | 49.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 863 | HOH | 0 | -0.014 | -0.015 | 26.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 864 | HOH | 0 | -0.017 | -0.029 | 40.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 865 | HOH | 0 | -0.008 | -0.013 | 18.443 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 866 | HOH | 0 | -0.006 | -0.021 | 29.071 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 867 | HOH | 0 | -0.025 | -0.030 | 40.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 868 | HOH | 0 | -0.037 | -0.032 | 25.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 869 | HOH | 0 | -0.054 | -0.039 | 20.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 872 | HOH | 0 | -0.016 | -0.012 | 36.314 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 873 | HOH | 0 | -0.063 | -0.056 | 48.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 874 | HOH | 0 | 0.027 | 0.013 | 56.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 875 | HOH | 0 | -0.007 | -0.013 | 40.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 876 | HOH | 0 | -0.024 | -0.016 | 54.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 878 | HOH | 0 | -0.040 | -0.036 | 49.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 879 | HOH | 0 | -0.039 | -0.036 | 62.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 881 | HOH | 0 | 0.015 | -0.003 | 18.551 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 882 | HOH | 0 | -0.016 | -0.013 | 55.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 883 | HOH | 0 | -0.019 | -0.010 | 40.192 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 884 | HOH | 0 | 0.001 | -0.025 | 27.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 885 | HOH | 0 | 0.008 | -0.004 | 38.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 886 | HOH | 0 | -0.030 | -0.019 | 68.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 887 | HOH | 0 | -0.036 | -0.038 | 51.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 889 | HOH | 0 | -0.013 | -0.029 | 56.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 890 | HOH | 0 | 0.011 | 0.010 | 47.929 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 891 | HOH | 0 | -0.011 | -0.023 | 56.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 892 | HOH | 0 | -0.006 | -0.020 | 27.892 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 895 | HOH | 0 | -0.035 | -0.031 | 48.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 896 | HOH | 0 | -0.032 | -0.034 | 24.151 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 898 | HOH | 0 | 0.020 | 0.000 | 44.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 899 | HOH | 0 | 0.004 | -0.040 | 8.386 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 902 | HOH | 0 | 0.007 | -0.004 | 65.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 903 | HOH | 0 | -0.006 | -0.014 | 8.854 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 904 | HOH | 0 | -0.037 | -0.024 | 51.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 905 | HOH | 0 | -0.014 | -0.017 | 56.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 906 | HOH | 0 | 0.059 | 0.037 | 34.011 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 907 | HOH | 0 | -0.016 | -0.015 | 18.710 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 908 | HOH | 0 | 0.017 | -0.005 | 41.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 909 | HOH | 0 | -0.013 | -0.018 | 46.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 910 | HOH | 0 | -0.018 | -0.018 | 45.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 911 | HOH | 0 | -0.023 | -0.025 | 36.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 913 | HOH | 0 | -0.040 | -0.026 | 26.905 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 914 | HOH | 0 | -0.010 | -0.022 | 60.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 916 | HOH | 0 | -0.010 | -0.018 | 16.456 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 917 | HOH | 0 | -0.001 | -0.005 | 49.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 918 | HOH | 0 | -0.018 | -0.021 | 35.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 919 | HOH | 0 | -0.047 | -0.048 | 59.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 920 | HOH | 0 | 0.019 | 0.007 | 47.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 921 | HOH | 0 | -0.050 | -0.043 | 42.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 922 | HOH | 0 | 0.027 | 0.015 | 34.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 924 | HOH | 0 | 0.027 | 0.011 | 36.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 925 | HOH | 0 | 0.008 | 0.002 | 39.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 927 | HOH | 0 | -0.026 | -0.034 | 24.668 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 929 | HOH | 0 | 0.004 | -0.001 | 43.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 931 | HOH | 0 | 0.035 | 0.020 | 43.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 932 | HOH | 0 | -0.011 | -0.014 | 28.850 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 933 | HOH | 0 | -0.021 | -0.010 | 44.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 935 | HOH | 0 | 0.005 | -0.003 | 19.545 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 937 | HOH | 0 | -0.004 | -0.009 | 55.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 939 | HOH | 0 | 0.006 | -0.003 | 28.460 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 940 | HOH | 0 | -0.046 | -0.033 | 47.004 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 941 | HOH | 0 | -0.052 | -0.032 | 40.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 942 | HOH | 0 | -0.045 | -0.027 | 43.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 944 | HOH | 0 | 0.014 | 0.000 | 48.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 945 | HOH | 0 | -0.004 | -0.009 | 40.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 949 | HOH | 0 | -0.014 | -0.035 | 24.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 950 | HOH | 0 | 0.031 | 0.016 | 19.563 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | B | 952 | HOH | 0 | 0.009 | -0.003 | 22.059 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 955 | HOH | 0 | -0.039 | -0.024 | 56.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 956 | HOH | 0 | -0.002 | -0.013 | 50.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 957 | HOH | 0 | -0.009 | -0.024 | 40.851 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 961 | HOH | 0 | -0.019 | -0.027 | 16.230 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 965 | HOH | 0 | -0.023 | -0.018 | 51.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 966 | HOH | 0 | 0.027 | 0.015 | 45.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 968 | HOH | 0 | 0.005 | 0.001 | 67.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 970 | HOH | 0 | -0.021 | -0.025 | 59.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 971 | HOH | 0 | -0.032 | -0.025 | 62.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 972 | HOH | 0 | -0.008 | -0.011 | 28.108 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 973 | HOH | 0 | 0.003 | -0.001 | 40.673 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 974 | HOH | 0 | -0.003 | -0.018 | 27.307 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 975 | HOH | 0 | -0.015 | -0.016 | 35.306 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 976 | HOH | 0 | -0.007 | -0.016 | 51.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 977 | HOH | 0 | -0.016 | -0.010 | 57.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 979 | HOH | 0 | -0.009 | -0.018 | 46.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 982 | HOH | 0 | 0.043 | 0.025 | 22.288 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 986 | HOH | 0 | 0.002 | 0.000 | 8.538 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 987 | HOH | 0 | -0.015 | -0.010 | 47.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 989 | HOH | 0 | -0.053 | -0.057 | 61.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 991 | HOH | 0 | -0.011 | -0.020 | 24.250 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 992 | HOH | 0 | -0.014 | -0.011 | 27.148 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 993 | HOH | 0 | 0.027 | 0.010 | 43.601 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 994 | HOH | 0 | 0.011 | 0.001 | 46.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 997 | HOH | 0 | 0.009 | -0.025 | 24.784 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 999 | HOH | 0 | -0.020 | -0.021 | 28.661 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 1000 | HOH | 0 | 0.041 | 0.024 | 30.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 1002 | HOH | 0 | 0.038 | 0.018 | 23.849 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 1007 | HOH | 0 | 0.003 | 0.001 | 35.099 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 1009 | HOH | 0 | -0.018 | -0.020 | 54.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | B | 1013 | HOH | 0 | 0.006 | -0.002 | 20.644 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 1016 | HOH | 0 | 0.036 | 0.020 | 21.206 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 1017 | HOH | 0 | 0.003 | 0.000 | 48.592 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | B | 1018 | HOH | 0 | -0.023 | -0.023 | 20.449 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | B | 1019 | HOH | 0 | -0.024 | -0.026 | 40.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | B | 1023 | HOH | 0 | 0.025 | 0.020 | 44.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | B | 1024 | HOH | 0 | -0.016 | -0.020 | 48.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | B | 1025 | HOH | 0 | -0.046 | -0.034 | 61.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | B | 1027 | HOH | 0 | 0.007 | 0.002 | 47.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | B | 1028 | HOH | 0 | -0.022 | -0.021 | 22.305 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | B | 1029 | HOH | 0 | -0.032 | -0.030 | 22.160 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | B | 1030 | HOH | 0 | -0.011 | -0.011 | 42.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | B | 1032 | HOH | 0 | -0.028 | -0.018 | 38.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | B | 1033 | HOH | 0 | -0.016 | -0.022 | 34.155 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | B | 1035 | HOH | 0 | 0.044 | 0.027 | 65.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | B | 1036 | HOH | 0 | -0.004 | -0.022 | 40.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | B | 1037 | HOH | 0 | -0.033 | -0.020 | 1.887 | -0.993 | -2.884 | 6.354 | -2.497 | -1.967 | -0.018 |
749 | B | 1039 | HOH | 0 | 0.010 | 0.006 | 58.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | B | 1041 | HOH | 0 | 0.017 | 0.008 | 24.642 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | B | 1042 | HOH | 0 | -0.024 | -0.023 | 59.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | B | 1044 | HOH | 0 | -0.005 | -0.006 | 29.518 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | B | 1045 | HOH | 0 | -0.010 | -0.007 | 49.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | B | 1046 | HOH | 0 | 0.017 | 0.005 | 59.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | B | 1047 | HOH | 0 | -0.037 | -0.043 | 64.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |