FMODB ID: Q86YY
Calculation Name: 6ZSL-B-Xray89
Preferred Name:
Target Type:
Ligand Name: phosphate ion
ligand 3-letter code: PO4
PDB ID: 6ZSL
Chain ID: B
Base Structure: X-ray
Registration Date: 2020-08-20
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 | 710 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -13194751.579148 |
---|---|
FMO2-HF: Nuclear repulsion | 12953016.174428 |
FMO2-HF: Total energy | -241735.40472 |
FMO2-MP2: Total energy | -242424.865395 |
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. |
-13.342 | -7.373 | 14.154 | -7.568 | -12.556 | -0.024 |
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 | -0.010 | -0.007 | 3.798 | -1.104 | 0.867 | -0.017 | -0.958 | -0.997 | 0.002 |
4 | B | 5 | CYM | -1 | -0.841 | -0.787 | 6.717 | 0.655 | 0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | 0.010 | -0.001 | 9.098 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | 0.007 | -0.022 | 12.052 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.001 | 0.002 | 11.803 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | -0.056 | -0.032 | 10.057 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | -0.007 | -0.008 | 8.903 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.042 | 0.018 | 2.831 | -1.560 | -0.259 | 0.366 | -0.559 | -1.108 | -0.005 |
11 | B | 12 | THR | 0 | -0.010 | 0.004 | 3.702 | 0.105 | 0.451 | 0.002 | -0.112 | -0.236 | 0.000 |
12 | B | 13 | SER | 0 | -0.005 | -0.001 | 2.074 | -3.486 | -2.120 | 7.382 | -4.768 | -3.981 | -0.025 |
13 | B | 14 | LEU | 0 | -0.025 | 0.006 | 3.107 | 1.387 | 0.675 | 0.024 | 0.958 | -0.271 | 0.000 |
14 | B | 15 | ARG | 1 | 0.913 | 0.959 | 5.085 | -4.366 | -4.269 | 0.000 | -0.007 | -0.090 | 0.000 |
15 | B | 16 | CYM | -1 | -0.811 | -0.707 | 7.894 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | 0.012 | -0.031 | 11.671 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | 0.010 | -0.007 | 12.968 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | -0.014 | -0.082 | 13.945 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | -0.002 | 0.010 | 14.667 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.756 | 0.863 | 13.778 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.863 | 0.958 | 9.688 | -0.738 | -0.738 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.036 | 0.031 | 9.084 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.023 | -0.007 | 2.703 | -3.266 | -2.219 | 1.545 | -0.685 | -1.906 | 0.005 |
24 | B | 25 | LEU | 0 | -0.012 | -0.013 | 7.285 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | -0.031 | -0.091 | 8.112 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | 0.022 | 0.021 | 9.261 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.888 | 0.920 | 11.199 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.044 | 0.034 | 12.358 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.039 | -0.016 | 10.281 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.031 | 0.018 | 12.644 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.784 | -0.892 | 15.632 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 1 | 0.812 | 0.876 | 14.257 | -0.564 | -0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | -0.011 | -0.003 | 14.769 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.064 | -0.027 | 17.583 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.033 | -0.030 | 20.356 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.025 | -0.009 | 19.479 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.024 | 0.002 | 21.952 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | -0.013 | -0.027 | 16.540 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.919 | 0.964 | 17.624 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | 0.010 | 0.030 | 13.932 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | 0.015 | 0.012 | 10.066 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.021 | -0.009 | 8.481 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | 0.003 | -0.019 | 5.785 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | 0.004 | 0.011 | 3.343 | 0.574 | 0.936 | 0.017 | -0.057 | -0.322 | 0.000 |
45 | B | 46 | ASN | 0 | 0.041 | 0.019 | 5.405 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | -0.009 | -0.002 | 8.676 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.094 | -0.078 | 8.957 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.011 | -0.004 | 13.141 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYS | 0 | -0.072 | -0.001 | 16.305 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | -0.011 | -0.013 | 15.619 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.033 | 0.011 | 19.524 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | -0.003 | -0.007 | 23.323 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | 0.022 | 0.017 | 25.062 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.070 | -0.004 | 23.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.848 | -0.926 | 23.241 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | 0.000 | -0.018 | 21.133 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.030 | -0.010 | 17.924 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.828 | -0.887 | 17.629 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.060 | 0.010 | 13.910 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.067 | -0.067 | 17.121 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.076 | -0.030 | 19.920 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | -0.032 | -0.007 | 16.845 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | -0.022 | -0.016 | 18.460 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.016 | 0.028 | 12.837 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | 0.023 | -0.004 | 16.729 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.014 | 0.014 | 18.920 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.041 | -0.030 | 12.820 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | 0.020 | 0.020 | 14.719 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | 0.004 | -0.005 | 10.460 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.004 | 0.001 | 16.948 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | 0.030 | 0.018 | 20.570 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 1.000 | 0.980 | 22.890 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | 0.001 | -0.007 | 25.705 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 0 | 0.006 | -0.018 | 24.539 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.845 | 0.943 | 23.181 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.026 | 0.022 | 22.434 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | 0.023 | 0.007 | 25.313 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.009 | 0.008 | 22.368 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.036 | 0.007 | 20.570 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | -0.041 | -0.003 | 14.324 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | 0.000 | 0.005 | 18.245 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | -0.001 | -0.001 | 12.825 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | -0.015 | 0.001 | 14.641 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.028 | 0.015 | 16.911 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | 0.010 | 0.000 | 17.555 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.010 | 0.014 | 18.891 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | 0.003 | -0.018 | 14.104 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.025 | 0.012 | 11.482 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | -0.020 | -0.012 | 10.742 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.095 | 0.053 | 7.433 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | -0.028 | -0.005 | 3.225 | -0.727 | -0.203 | 0.063 | -0.125 | -0.462 | 0.000 |
92 | B | 93 | TYR | 0 | 0.005 | -0.007 | 2.205 | -0.490 | -0.823 | 4.772 | -1.255 | -3.183 | -0.001 |
93 | B | 94 | LYS | 1 | 0.891 | 0.942 | 7.173 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | 0.004 | 0.005 | 10.192 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.012 | 0.005 | 8.412 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.040 | -0.019 | 9.506 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.006 | 0.020 | 11.917 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.037 | -0.009 | 14.111 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.011 | -0.025 | 15.928 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.855 | -0.907 | 18.655 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | -0.040 | -0.035 | 21.676 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | 0.009 | -0.002 | 17.469 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | 0.007 | 0.002 | 19.938 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.775 | -0.865 | 21.640 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | 0.011 | -0.004 | 14.020 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.047 | 0.013 | 18.964 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.034 | 0.044 | 20.425 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | 0.027 | 0.012 | 19.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.061 | -0.038 | 17.562 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.037 | -0.030 | 19.303 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | -0.051 | 0.021 | 22.451 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.765 | -0.814 | 24.618 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | -0.013 | -0.019 | 22.012 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | 0.028 | 0.005 | 28.126 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.001 | -0.007 | 30.300 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | ALA | 0 | 0.046 | 0.014 | 31.314 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | -0.007 | -0.011 | 31.506 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.766 | -0.848 | 27.035 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | TYR | 0 | 0.003 | -0.023 | 26.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | -0.018 | -0.005 | 28.492 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.003 | 0.034 | 24.134 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | ALA | 0 | 0.007 | 0.000 | 23.888 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | -0.021 | -0.005 | 24.345 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.066 | -0.053 | 26.641 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.004 | 0.037 | 21.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.031 | 0.010 | 19.392 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.662 | -0.803 | 19.795 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.881 | 0.931 | 10.926 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.015 | -0.001 | 16.648 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.829 | 0.932 | 18.392 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | -0.016 | 0.005 | 16.014 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.019 | 0.010 | 14.705 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.056 | 0.024 | 16.810 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | 0.000 | 0.010 | 20.419 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.742 | -0.835 | 14.144 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.013 | -0.011 | 17.684 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.032 | 0.021 | 19.217 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.917 | 0.973 | 21.253 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.010 | -0.006 | 18.647 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | 0.017 | 0.004 | 20.764 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.720 | -0.800 | 23.364 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.772 | -0.900 | 22.888 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.035 | -0.032 | 22.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | 0.016 | 0.009 | 24.828 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.789 | 0.909 | 27.107 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | 0.009 | 0.010 | 24.654 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.079 | -0.045 | 28.977 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | -0.028 | -0.009 | 31.133 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | -0.010 | -0.006 | 33.898 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.041 | -0.034 | 34.572 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | -0.014 | 0.001 | 37.292 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | -0.004 | -0.022 | 40.445 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | -0.026 | -0.014 | 42.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.884 | 0.923 | 45.752 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.877 | -0.941 | 48.648 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.020 | -0.018 | 49.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | 0.005 | 0.014 | 52.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.029 | 0.010 | 53.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.823 | -0.869 | 52.150 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.823 | 0.867 | 48.279 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.865 | -0.948 | 50.498 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | -0.008 | -0.005 | 45.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 1.013 | 1.013 | 49.479 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.012 | 0.000 | 43.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | 0.000 | -0.004 | 45.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.022 | -0.028 | 38.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.775 | -0.843 | 35.528 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.013 | -0.002 | 40.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | -0.003 | -0.005 | 38.855 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.842 | 0.938 | 31.301 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | -0.005 | 0.011 | 35.272 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.971 | 0.981 | 37.289 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | -0.009 | 0.016 | 35.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | 0.003 | -0.007 | 37.417 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.030 | -0.002 | 39.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.036 | 0.000 | 40.057 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.884 | 0.911 | 40.304 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.044 | -0.008 | 36.262 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | 0.006 | 0.004 | 34.380 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | 0.015 | 0.011 | 34.891 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.022 | -0.027 | 34.605 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.023 | 0.029 | 33.668 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | 0.031 | 0.012 | 36.061 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.025 | -0.018 | 31.884 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.792 | 0.868 | 37.948 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | 0.023 | 0.004 | 39.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.056 | -0.049 | 38.364 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.976 | 0.988 | 40.641 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.037 | 0.007 | 36.354 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.003 | 0.004 | 32.689 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.903 | 0.985 | 32.168 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.030 | 0.020 | 34.595 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.022 | 0.014 | 30.756 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | 0.001 | 0.018 | 35.866 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.071 | 0.034 | 37.457 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.381 | -0.406 | 32.933 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.060 | -0.055 | 37.467 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | -0.040 | -0.004 | 38.870 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | 0.020 | -0.003 | 40.509 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.797 | -0.875 | 43.815 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.944 | 0.982 | 46.524 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.032 | 0.023 | 49.119 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.049 | -0.010 | 52.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | -1.379 | -1.395 | 52.522 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | 0.153 | 0.035 | 51.369 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | 0.187 | 0.340 | 46.103 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.067 | 0.036 | 48.747 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.021 | -0.002 | 44.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.941 | 0.976 | 41.509 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | -0.002 | -0.013 | 42.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | -0.057 | -0.022 | 39.161 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.081 | 0.051 | 41.242 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.024 | -0.005 | 43.881 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.077 | 0.026 | 42.097 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.815 | 0.891 | 47.516 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | 0.001 | 0.023 | 44.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | 0.031 | 0.014 | 46.957 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.022 | 0.001 | 46.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | -0.002 | 0.010 | 44.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.757 | -0.848 | 41.833 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | 0.014 | 0.013 | 35.099 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.041 | -0.018 | 37.515 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | 0.023 | 0.002 | 31.618 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | -0.006 | -0.003 | 31.939 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.025 | -0.001 | 28.738 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.011 | -0.007 | 25.085 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | -0.024 | -0.011 | 23.378 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | -0.003 | -0.004 | 17.017 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | 0.007 | 0.018 | 17.759 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.036 | 0.020 | 14.547 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | -0.008 | -0.002 | 11.031 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.051 | -0.008 | 13.768 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.021 | -0.011 | 13.139 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | 0.008 | 0.022 | 14.627 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.036 | 0.033 | 17.778 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.020 | -0.028 | 20.133 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.007 | 0.005 | 23.455 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.013 | 0.021 | 23.026 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.045 | 0.015 | 22.590 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.015 | 0.005 | 25.524 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.820 | -0.872 | 27.447 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | -0.001 | 0.003 | 31.241 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.072 | -0.065 | 30.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.025 | 0.011 | 36.964 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.941 | 0.963 | 39.632 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | 0.021 | 0.012 | 39.252 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | -0.010 | 0.004 | 34.199 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.038 | -0.009 | 35.411 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.002 | 0.005 | 36.444 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | 0.007 | -0.005 | 39.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | -0.018 | -0.011 | 42.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | 0.004 | 0.007 | 45.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | 0.012 | -0.005 | 48.411 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.035 | -0.003 | 51.805 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | -0.017 | -0.006 | 49.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.046 | 0.021 | 52.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.902 | -0.966 | 53.716 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.801 | -0.864 | 53.052 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.019 | -0.005 | 48.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.047 | 0.034 | 49.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | -0.004 | -0.009 | 50.907 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.016 | 0.006 | 46.224 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.047 | 0.033 | 46.361 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.017 | 0.011 | 46.476 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.041 | 0.015 | 43.486 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.011 | -0.009 | 42.188 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | 0.016 | 0.031 | 41.628 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.888 | 0.937 | 39.271 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.012 | 0.002 | 36.848 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.050 | 0.025 | 36.787 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.057 | -0.027 | 37.649 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | -0.018 | -0.022 | 34.599 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.844 | 0.950 | 27.111 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | 0.004 | -0.006 | 28.390 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | 0.005 | 0.012 | 32.062 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.016 | -0.017 | 33.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.015 | -0.003 | 36.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | 0.020 | -0.010 | 39.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.020 | -0.008 | 41.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | -0.005 | 0.027 | 44.025 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.001 | 0.014 | 46.164 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.043 | 0.025 | 47.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.011 | -0.011 | 47.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | 0.011 | 0.024 | 47.834 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.887 | 0.961 | 41.183 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.090 | 0.031 | 42.806 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.038 | -0.016 | 43.844 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.017 | 0.009 | 40.393 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.023 | 0.013 | 40.017 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | 0.000 | 0.011 | 41.383 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.062 | 0.027 | 43.631 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.034 | -0.010 | 38.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.001 | 0.000 | 41.218 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | -0.009 | -0.002 | 42.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.015 | -0.003 | 43.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.023 | -0.030 | 40.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.058 | 0.058 | 41.873 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | 0.008 | 0.004 | 41.242 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.056 | -0.012 | 37.505 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.841 | 0.913 | 30.222 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.037 | -0.015 | 34.761 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.014 | 0.009 | 30.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.028 | -0.035 | 33.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.014 | -0.032 | 29.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.018 | -0.003 | 32.125 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.015 | 0.013 | 29.061 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | 0.000 | 0.005 | 31.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.102 | 0.040 | 32.945 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | 0.045 | 0.035 | 35.897 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.029 | 0.026 | 36.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.033 | 0.012 | 33.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.713 | -0.845 | 37.223 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | -0.006 | 0.015 | 40.379 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.033 | -0.020 | 37.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.046 | -0.007 | 39.416 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.822 | -0.897 | 42.060 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.806 | 0.919 | 44.536 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.024 | -0.005 | 42.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.027 | -0.003 | 44.910 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.846 | 0.935 | 47.163 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.078 | -0.077 | 47.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | -0.015 | -0.001 | 42.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.022 | 0.011 | 45.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.085 | 0.048 | 45.116 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.864 | -0.924 | 44.302 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.883 | 0.934 | 42.091 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.046 | -0.007 | 40.267 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.049 | -0.037 | 36.642 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.813 | 0.890 | 34.231 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.026 | -0.015 | 30.079 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.018 | -0.005 | 33.030 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.022 | -0.001 | 28.629 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.023 | 0.002 | 30.035 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | -0.007 | 0.009 | 29.900 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | -1.302 | -1.347 | 35.024 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.025 | -0.046 | 35.412 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.234 | -0.171 | 37.791 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.060 | -0.036 | 37.678 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | 0.004 | -0.007 | 39.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.863 | -0.892 | 40.492 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.907 | 0.958 | 42.871 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.025 | -0.009 | 40.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.865 | 0.935 | 39.167 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.046 | 0.025 | 35.982 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.057 | -0.031 | 32.689 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | 0.011 | 0.000 | 33.833 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.028 | -0.009 | 28.905 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.012 | -0.009 | 30.540 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.812 | -0.864 | 33.870 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.047 | -0.028 | 35.783 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | -0.017 | -0.034 | 36.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | -0.001 | 0.006 | 32.171 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.024 | 0.007 | 35.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | -0.004 | -0.001 | 29.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.019 | 0.041 | 29.765 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.034 | 0.015 | 25.407 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.035 | -0.020 | 24.798 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | -0.006 | 0.000 | 25.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.002 | 0.003 | 25.421 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | -0.001 | 0.002 | 24.757 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.876 | -0.925 | 19.551 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.024 | -0.016 | 23.751 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | 0.017 | 0.013 | 25.517 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | 0.009 | 0.010 | 27.700 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.769 | -0.857 | 30.703 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.028 | -0.032 | 33.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.005 | 0.015 | 28.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.006 | 0.001 | 32.146 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.020 | -0.002 | 27.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.721 | -0.815 | 33.217 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.819 | -0.869 | 34.731 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.031 | 0.008 | 30.914 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.003 | -0.004 | 33.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.030 | 0.007 | 34.000 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | -0.005 | 0.010 | 29.197 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.037 | -0.015 | 26.133 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.060 | -0.016 | 23.614 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | -0.023 | -0.021 | 17.990 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.793 | -0.876 | 22.452 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.043 | -0.002 | 25.039 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.003 | 0.006 | 19.237 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.019 | 0.000 | 20.281 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | 0.013 | 0.007 | 21.746 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.061 | -0.022 | 21.746 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.045 | -0.022 | 18.377 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.789 | 0.899 | 19.887 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.038 | 0.021 | 22.460 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.837 | 0.934 | 20.899 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.042 | 0.009 | 25.031 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.762 | 0.877 | 28.286 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.790 | 0.885 | 30.779 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | -0.015 | -0.013 | 25.289 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.028 | 0.013 | 31.547 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | -0.007 | -0.009 | 27.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.014 | 0.003 | 34.303 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.033 | 0.006 | 36.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.693 | -0.813 | 38.702 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.020 | 0.013 | 37.555 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | 0.028 | 0.023 | 39.018 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.075 | -0.053 | 40.896 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.019 | 0.018 | 39.279 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | 0.002 | 0.020 | 34.280 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.020 | 0.009 | 31.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.008 | 0.000 | 33.378 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.795 | 0.880 | 29.039 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.055 | -0.042 | 30.723 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | 0.006 | 0.003 | 26.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.068 | -0.006 | 31.389 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.026 | -0.027 | 33.381 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.827 | 0.922 | 33.377 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.048 | 0.017 | 35.907 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | -0.008 | -0.010 | 37.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | LEU | 0 | 0.017 | 0.026 | 32.126 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.837 | -0.914 | 36.002 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.033 | 0.011 | 35.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.856 | -0.885 | 34.661 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | -0.008 | -0.032 | 31.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.019 | 0.016 | 31.032 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.056 | 0.026 | 28.695 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.052 | 0.009 | 25.699 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | -0.003 | 0.010 | 28.881 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.055 | -0.033 | 31.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.875 | 0.935 | 30.302 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | 0.005 | 0.023 | 30.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.046 | -0.019 | 33.859 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.856 | 0.919 | 36.612 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.068 | -0.031 | 34.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.014 | -0.005 | 34.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.017 | 0.032 | 38.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.067 | -0.032 | 38.312 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.763 | -0.817 | 36.438 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.052 | 0.000 | 39.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.018 | 0.010 | 42.088 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.036 | -0.004 | 44.730 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.050 | 0.012 | 47.202 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | 0.018 | 0.014 | 50.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.043 | -0.010 | 51.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.951 | 0.951 | 52.839 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.772 | 0.891 | 48.333 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.054 | -0.013 | 53.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.052 | 0.047 | 56.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.061 | 0.015 | 58.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.698 | -0.828 | 58.908 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.040 | -0.013 | 54.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.037 | -0.023 | 53.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.828 | -0.918 | 54.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.028 | -0.010 | 53.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.016 | 0.003 | 49.957 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.041 | -0.030 | 50.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | -0.004 | 0.008 | 51.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.094 | -0.024 | 49.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | -0.017 | -0.020 | 45.638 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.042 | -0.035 | 44.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.792 | -0.884 | 46.243 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | -0.010 | -0.008 | 49.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.883 | 0.941 | 45.348 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.072 | -0.020 | 49.630 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.928 | 0.964 | 51.796 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | 0.027 | 0.013 | 54.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | 0.012 | 0.016 | 56.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.795 | 0.896 | 58.024 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.824 | -0.904 | 60.837 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.859 | 0.930 | 62.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.036 | -0.033 | 62.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.032 | 0.004 | 64.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | 0.005 | 0.011 | 64.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.031 | 0.015 | 60.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.040 | 0.008 | 61.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.819 | 0.911 | 60.451 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | 0.009 | 0.013 | 61.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | 0.009 | 0.019 | 58.870 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.055 | 0.010 | 60.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.840 | 0.926 | 57.377 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.026 | 0.027 | 58.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.015 | -0.002 | 59.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | -0.016 | 0.016 | 52.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.019 | 0.004 | 54.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.029 | 0.013 | 48.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.792 | -0.861 | 48.219 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.021 | -0.018 | 45.146 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | -0.026 | -0.016 | 42.514 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.025 | -0.026 | 44.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.010 | 0.003 | 46.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.041 | -0.023 | 50.254 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | 0.006 | -0.029 | 53.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.969 | 0.972 | 56.719 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | 0.016 | 0.017 | 59.637 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.041 | 0.019 | 56.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.027 | -0.003 | 56.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.024 | -0.015 | 60.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.043 | 0.024 | 62.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | -0.008 | -0.002 | 59.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.915 | 0.947 | 63.113 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.794 | -0.898 | 65.337 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.019 | -0.006 | 64.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | -0.003 | -0.007 | 62.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.086 | -0.051 | 66.965 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.946 | 0.982 | 68.837 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.056 | -0.013 | 67.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.068 | 0.032 | 67.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.017 | 0.010 | 67.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | 0.004 | -0.004 | 60.916 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.950 | 0.975 | 62.869 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.886 | 0.963 | 61.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.012 | 0.012 | 59.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | 0.016 | 0.016 | 52.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | -0.008 | -0.011 | 53.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | 0.008 | -0.010 | 49.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | 0.007 | -0.012 | 50.341 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | -0.004 | -0.002 | 46.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | 0.013 | 0.031 | 46.065 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.021 | 0.004 | 45.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | -0.001 | -0.034 | 47.643 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.054 | 0.038 | 50.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | 0.011 | 0.011 | 49.025 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | 0.017 | 0.019 | 51.107 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.043 | -0.027 | 52.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.043 | 0.018 | 55.511 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.023 | -0.001 | 54.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.913 | 0.958 | 54.567 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.038 | -0.012 | 59.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.056 | -0.027 | 58.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.004 | 0.015 | 60.127 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.069 | -0.013 | 57.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | 0.028 | 0.015 | 54.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | -0.025 | -0.008 | 51.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | 0.013 | 0.020 | 47.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | -0.032 | -0.012 | 44.666 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.058 | 0.022 | 45.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.749 | -0.825 | 40.637 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | -0.042 | -0.018 | 41.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.035 | -0.015 | 43.573 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.023 | -0.004 | 38.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | 0.016 | 0.004 | 43.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.045 | -0.012 | 44.650 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.815 | -0.892 | 48.005 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.040 | 0.005 | 49.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.826 | -0.892 | 54.933 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.017 | -0.021 | 58.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.000 | 0.005 | 53.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.024 | 0.009 | 56.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.036 | 0.001 | 50.200 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.001 | 0.020 | 54.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.105 | 0.039 | 50.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.060 | -0.024 | 51.629 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.024 | -0.002 | 49.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.693 | -0.798 | 51.716 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | -0.032 | 0.005 | 46.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.104 | 0.046 | 43.406 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 554 | HIS | 0 | -0.034 | -0.005 | 42.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 555 | SER | 0 | -0.044 | -0.040 | 44.267 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.017 | 0.014 | 47.498 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | 0.001 | 0.028 | 41.287 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 558 | VAL | 0 | 0.095 | 0.032 | 44.547 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | -0.007 | -0.010 | 40.149 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.767 | 0.857 | 40.474 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.054 | 0.011 | 44.816 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.012 | -0.019 | 45.138 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.015 | 0.017 | 43.299 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.033 | -0.005 | 46.744 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.025 | 0.002 | 49.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.009 | -0.020 | 48.911 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.803 | 0.903 | 46.290 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.010 | 0.015 | 51.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.851 | 0.911 | 55.097 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.043 | -0.015 | 57.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.038 | 0.027 | 60.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.031 | -0.032 | 54.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.008 | 0.030 | 59.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.050 | -0.005 | 56.250 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | 0.011 | 0.001 | 57.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.027 | -0.010 | 53.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.027 | -0.010 | 54.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.773 | -0.871 | 52.730 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.813 | 0.879 | 55.063 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.767 | -0.852 | 52.598 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | 0.003 | -0.013 | 49.860 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | -0.009 | -0.007 | 54.345 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.785 | -0.864 | 57.864 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.816 | 0.899 | 51.259 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.052 | -0.004 | 55.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | -0.001 | 0.017 | 57.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | -0.016 | -0.039 | 56.404 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.047 | 0.033 | 62.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | 0.001 | 0.000 | 64.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.058 | -0.037 | 65.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.860 | -0.922 | 66.975 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.125 | -0.078 | 66.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.933 | -0.959 | 68.709 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 808 | HOH | 0 | -0.003 | -0.011 | 38.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 810 | HOH | 0 | -0.006 | -0.011 | 48.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 812 | HOH | 0 | 0.005 | -0.004 | 18.917 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 814 | HOH | 0 | 0.026 | 0.010 | 44.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 816 | HOH | 0 | -0.019 | -0.040 | 44.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 818 | HOH | 0 | -0.022 | -0.032 | 56.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 820 | HOH | 0 | 0.003 | 0.007 | 46.063 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 821 | HOH | 0 | 0.024 | -0.001 | 17.857 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 824 | HOH | 0 | -0.016 | -0.025 | 40.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 826 | HOH | 0 | 0.004 | -0.004 | 40.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 828 | HOH | 0 | -0.001 | -0.023 | 31.532 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 830 | HOH | 0 | -0.033 | -0.035 | 33.543 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 834 | HOH | 0 | -0.052 | -0.048 | 32.020 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 835 | HOH | 0 | -0.013 | -0.017 | 35.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 837 | HOH | 0 | -0.008 | -0.036 | 44.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 839 | HOH | 0 | -0.011 | -0.018 | 26.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 840 | HOH | 0 | -0.049 | -0.045 | 47.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 841 | HOH | 0 | -0.042 | -0.030 | 39.628 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 842 | HOH | 0 | -0.018 | -0.015 | 48.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 844 | HOH | 0 | 0.008 | -0.019 | 25.452 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 848 | HOH | 0 | -0.034 | -0.036 | 41.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 849 | HOH | 0 | -0.039 | -0.035 | 59.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 850 | HOH | 0 | -0.008 | -0.018 | 21.784 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 852 | HOH | 0 | -0.037 | -0.041 | 39.808 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 853 | HOH | 0 | -0.003 | 0.000 | 45.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 856 | HOH | 0 | -0.029 | -0.023 | 28.682 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 857 | HOH | 0 | -0.032 | -0.031 | 51.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 858 | HOH | 0 | -0.011 | -0.016 | 28.580 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 859 | HOH | 0 | -0.001 | -0.003 | 40.565 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 864 | HOH | 0 | -0.015 | -0.008 | 56.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 865 | HOH | 0 | -0.022 | -0.019 | 53.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 866 | HOH | 0 | -0.026 | -0.042 | 22.605 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 867 | HOH | 0 | -0.018 | -0.015 | 67.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 869 | HOH | 0 | -0.007 | -0.018 | 61.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 870 | HOH | 0 | -0.020 | -0.030 | 29.042 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 871 | HOH | 0 | -0.048 | -0.039 | 50.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 872 | HOH | 0 | -0.018 | -0.020 | 47.051 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 873 | HOH | 0 | -0.051 | -0.043 | 41.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 875 | HOH | 0 | -0.024 | -0.019 | 25.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 876 | HOH | 0 | 0.026 | -0.008 | 44.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 879 | HOH | 0 | -0.020 | -0.021 | 59.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 880 | HOH | 0 | -0.019 | -0.031 | 48.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 881 | HOH | 0 | 0.015 | -0.001 | 33.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 885 | HOH | 0 | 0.026 | 0.012 | 56.256 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 887 | HOH | 0 | 0.009 | -0.008 | 38.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 889 | HOH | 0 | -0.012 | -0.026 | 16.730 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 890 | HOH | 0 | 0.014 | -0.012 | 25.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 892 | HOH | 0 | 0.000 | -0.012 | 35.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 893 | HOH | 0 | 0.026 | -0.003 | 31.434 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 894 | HOH | 0 | 0.000 | -0.012 | 25.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 895 | HOH | 0 | 0.004 | -0.004 | 62.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 896 | HOH | 0 | -0.005 | -0.014 | 43.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 897 | HOH | 0 | 0.034 | 0.022 | 43.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 898 | HOH | 0 | -0.005 | -0.021 | 27.537 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 900 | HOH | 0 | -0.027 | -0.025 | 34.626 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 902 | HOH | 0 | -0.010 | -0.011 | 22.415 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 903 | HOH | 0 | -0.036 | -0.022 | 44.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 904 | HOH | 0 | -0.033 | -0.020 | 49.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 905 | HOH | 0 | -0.012 | -0.016 | 29.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 906 | HOH | 0 | -0.007 | -0.018 | 47.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 907 | HOH | 0 | -0.042 | -0.036 | 45.543 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 908 | HOH | 0 | -0.034 | -0.020 | 26.692 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 917 | HOH | 0 | -0.002 | -0.012 | 58.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 919 | HOH | 0 | -0.052 | -0.048 | 24.729 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 920 | HOH | 0 | -0.015 | -0.016 | 34.762 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 921 | HOH | 0 | -0.013 | -0.017 | 40.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 924 | HOH | 0 | -0.008 | -0.010 | 53.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 925 | HOH | 0 | 0.001 | -0.023 | 29.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 928 | HOH | 0 | -0.026 | -0.018 | 34.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 929 | HOH | 0 | 0.015 | 0.007 | 61.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 930 | HOH | 0 | -0.023 | -0.036 | 39.150 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 931 | HOH | 0 | -0.033 | -0.041 | 12.917 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 932 | HOH | 0 | 0.005 | -0.005 | 47.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 933 | HOH | 0 | -0.006 | -0.009 | 19.056 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 936 | HOH | 0 | -0.033 | -0.034 | 56.243 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 938 | HOH | 0 | -0.010 | -0.020 | 47.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 939 | HOH | 0 | -0.025 | -0.015 | 22.521 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 943 | HOH | 0 | -0.009 | -0.015 | 22.778 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 944 | HOH | 0 | 0.031 | 0.018 | 43.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 945 | HOH | 0 | 0.012 | 0.001 | 43.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 946 | HOH | 0 | 0.030 | 0.012 | 33.850 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 949 | HOH | 0 | 0.008 | -0.005 | 61.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 950 | HOH | 0 | -0.013 | -0.022 | 57.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 951 | HOH | 0 | -0.039 | -0.031 | 46.132 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 953 | HOH | 0 | -0.007 | -0.007 | 42.773 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 955 | HOH | 0 | 0.026 | 0.012 | 17.863 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 956 | HOH | 0 | 0.006 | -0.019 | 55.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 957 | HOH | 0 | -0.012 | -0.022 | 38.418 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 962 | HOH | 0 | 0.005 | -0.001 | 19.888 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 964 | HOH | 0 | -0.026 | -0.028 | 39.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 965 | HOH | 0 | -0.049 | -0.049 | 64.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 968 | HOH | 0 | 0.008 | -0.002 | 39.399 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 969 | HOH | 0 | -0.045 | -0.044 | 49.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 972 | HOH | 0 | 0.001 | -0.009 | 36.116 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 974 | HOH | 0 | 0.028 | 0.001 | 39.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 976 | HOH | 0 | 0.019 | 0.016 | 49.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 980 | HOH | 0 | -0.042 | -0.038 | 26.828 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 982 | HOH | 0 | -0.041 | -0.046 | 53.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 983 | HOH | 0 | 0.014 | 0.001 | 53.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 985 | HOH | 0 | -0.030 | -0.042 | 45.200 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 987 | HOH | 0 | -0.025 | -0.018 | 56.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 991 | HOH | 0 | 0.000 | -0.009 | 33.099 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 1009 | HOH | 0 | -0.002 | -0.002 | 52.432 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 1013 | HOH | 0 | -0.006 | -0.004 | 46.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 1016 | HOH | 0 | 0.004 | -0.026 | 24.494 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 1018 | HOH | 0 | -0.025 | -0.018 | 37.851 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 1025 | HOH | 0 | 0.015 | 0.005 | 44.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 1027 | HOH | 0 | 0.008 | 0.006 | 58.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 1031 | HOH | 0 | 0.053 | 0.029 | 43.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 1032 | HOH | 0 | -0.016 | -0.021 | 34.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 1033 | HOH | 0 | 0.005 | -0.001 | 40.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | B | 1034 | HOH | 0 | 0.014 | 0.003 | 24.036 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 1035 | HOH | 0 | -0.010 | -0.026 | 40.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 1036 | HOH | 0 | 0.031 | 0.024 | 42.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 1037 | HOH | 0 | -0.015 | -0.006 | 48.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 1038 | HOH | 0 | -0.032 | -0.031 | 24.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 1039 | HOH | 0 | -0.016 | -0.010 | 66.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 1043 | HOH | 0 | 0.014 | 0.005 | 59.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 1044 | HOH | 0 | -0.010 | -0.016 | 27.620 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 1046 | HOH | 0 | -0.006 | 0.001 | 45.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 1048 | HOH | 0 | 0.034 | 0.027 | 33.592 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |