FMODB ID: L7ZG9
Calculation Name: 4WJS-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4WJS
Chain ID: A
UniProt ID: G0SC29
Base Structure: X-ray
Registration Date: 2023-09-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 485 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9554702.464717 |
---|---|
FMO2-HF: Nuclear repulsion | 9366886.702352 |
FMO2-HF: Total energy | -187815.762365 |
FMO2-MP2: Total energy | -188371.06632 |
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(A:33:ASP)
Summations of interaction energy for
fragment #1(A:33:ASP)
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. |
-21.034 | -19.43 | 0 | -0.829 | -0.774 | 0.004 |
Interaction energy analysis for fragmet #1(A:33:ASP)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 35 | GLY | 0 | 0.032 | 0.020 | 3.846 | 0.247 | 1.792 | 0.001 | -0.813 | -0.732 | 0.004 |
4 | A | 36 | SER | 0 | -0.027 | -0.035 | 5.952 | 1.142 | 1.142 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 37 | PHE | 0 | 0.028 | -0.001 | 8.477 | -1.547 | -1.547 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 38 | LYS | 1 | 0.915 | 0.950 | 12.259 | -17.809 | -17.809 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 39 | ALA | 0 | -0.003 | -0.004 | 15.412 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 40 | ASN | 0 | 0.016 | -0.005 | 17.667 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 41 | PHE | 0 | 0.048 | 0.015 | 18.757 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 42 | ILE | 0 | 0.009 | 0.015 | 23.210 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 43 | ASP | -1 | -0.716 | -0.849 | 26.851 | 9.748 | 9.748 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 44 | SER | 0 | -0.024 | -0.033 | 29.649 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 45 | ASP | -1 | -0.881 | -0.933 | 32.097 | 8.143 | 8.143 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 46 | GLY | 0 | -0.020 | -0.005 | 31.181 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 47 | ASN | 0 | -0.092 | -0.053 | 30.737 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 48 | GLN | 0 | -0.010 | -0.014 | 24.740 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 49 | MET | 0 | -0.057 | -0.021 | 25.943 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 50 | THR | 0 | -0.018 | -0.009 | 22.583 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 51 | ASP | -1 | -0.881 | -0.930 | 22.774 | 11.628 | 11.628 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 52 | VAL | 0 | -0.061 | -0.040 | 18.519 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 53 | VAL | 0 | 0.024 | 0.032 | 15.713 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 54 | GLU | -1 | -0.831 | -0.888 | 10.980 | 20.862 | 20.862 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 55 | ILE | 0 | -0.029 | -0.014 | 11.397 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 56 | ASN | 0 | 0.024 | 0.004 | 6.062 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 57 | PHE | 0 | 0.004 | -0.031 | 7.535 | -1.949 | -1.949 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 58 | ALA | 0 | 0.000 | 0.008 | 4.188 | -1.660 | -1.601 | -0.001 | -0.016 | -0.042 | 0.000 |
27 | A | 59 | ASP | -1 | -0.831 | -0.896 | 6.289 | 30.060 | 30.060 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 60 | ALA | 0 | -0.001 | 0.022 | 9.734 | -3.135 | -3.135 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 61 | THR | 0 | 0.000 | 0.001 | 11.961 | -1.921 | -1.921 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 62 | GLU | -1 | -0.751 | -0.885 | 14.582 | 13.165 | 13.165 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 63 | LYS | 1 | 0.941 | 0.971 | 17.740 | -15.040 | -15.040 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 64 | ASN | 0 | -0.004 | -0.008 | 12.484 | -1.808 | -1.808 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 65 | ILE | 0 | 0.044 | 0.031 | 14.907 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 66 | SER | 0 | 0.011 | 0.009 | 17.671 | -0.905 | -0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 67 | ASN | 0 | -0.031 | -0.018 | 18.613 | -1.229 | -1.229 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 68 | LEU | 0 | 0.025 | 0.031 | 15.389 | -0.478 | -0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 69 | LEU | 0 | 0.031 | 0.015 | 19.054 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 70 | ASN | 0 | -0.032 | -0.034 | 22.066 | -1.080 | -1.080 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 71 | THR | 0 | -0.020 | -0.014 | 20.772 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 72 | LEU | 0 | -0.036 | -0.017 | 19.052 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 73 | LEU | 0 | -0.058 | -0.026 | 23.046 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 74 | GLY | 0 | -0.013 | 0.004 | 25.713 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 75 | ARG | 1 | 0.843 | 0.917 | 27.212 | -10.989 | -10.989 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 76 | ASP | -1 | -0.776 | -0.884 | 27.451 | 10.789 | 10.789 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 77 | ARG | 1 | 0.864 | 0.914 | 22.154 | -13.169 | -13.169 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 78 | GLU | -1 | -0.960 | -0.978 | 27.863 | 10.052 | 10.052 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 79 | GLU | -1 | -0.952 | -0.968 | 30.362 | 8.994 | 8.994 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 80 | PHE | 0 | -0.067 | -0.038 | 22.367 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 81 | THR | 0 | -0.043 | -0.014 | 27.852 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 82 | PRO | 0 | -0.060 | -0.022 | 25.798 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 83 | TYR | 0 | 0.058 | 0.033 | 23.837 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 84 | ARG | 1 | 0.720 | 0.859 | 23.251 | -11.597 | -11.597 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 85 | PHE | 0 | -0.003 | -0.010 | 20.813 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 86 | ARG | 1 | 0.829 | 0.881 | 22.417 | -10.109 | -10.109 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 87 | ILE | 0 | 0.015 | 0.008 | 18.923 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 88 | HIS | 0 | -0.018 | -0.018 | 22.229 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 89 | ILE | 0 | -0.041 | -0.025 | 21.092 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 90 | PRO | 0 | 0.037 | 0.010 | 19.210 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 91 | GLY | 0 | 0.001 | -0.001 | 22.547 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 92 | LYS | 1 | 0.816 | 0.901 | 24.355 | -12.443 | -12.443 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 93 | ASP | -1 | -0.878 | -0.925 | 27.551 | 9.814 | 9.814 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 94 | LEU | 0 | -0.081 | -0.033 | 25.790 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 95 | ILE | 0 | 0.014 | 0.003 | 25.866 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 96 | ILE | 0 | -0.032 | -0.013 | 22.538 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 97 | ASP | -1 | -0.786 | -0.863 | 24.062 | 10.882 | 10.882 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 98 | GLN | 0 | -0.109 | -0.056 | 24.121 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 99 | TYR | 0 | 0.037 | 0.000 | 14.680 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 100 | PRO | 0 | -0.030 | 0.002 | 16.202 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 101 | ASN | 0 | -0.048 | -0.041 | 15.037 | 0.784 | 0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 102 | ASP | -1 | -0.694 | -0.819 | 10.909 | 25.340 | 25.340 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 103 | LEU | 0 | -0.020 | -0.002 | 12.645 | -1.364 | -1.364 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 104 | LEU | 0 | 0.008 | 0.010 | 8.544 | -1.310 | -1.310 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 105 | SER | 0 | -0.004 | -0.041 | 12.258 | -1.861 | -1.861 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 106 | LEU | 0 | -0.056 | -0.023 | 14.287 | -1.444 | -1.444 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 107 | LEU | 0 | 0.030 | 0.006 | 14.628 | -1.200 | -1.200 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 108 | GLN | 0 | 0.050 | 0.025 | 11.297 | -1.077 | -1.077 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 109 | LYS | 1 | 0.862 | 0.936 | 16.713 | -14.403 | -14.403 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 110 | HIS | 0 | -0.016 | -0.011 | 19.539 | -1.192 | -1.192 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 111 | GLY | 0 | 0.031 | 0.029 | 20.366 | -0.627 | -0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 112 | VAL | 0 | -0.017 | -0.002 | 17.382 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 113 | THR | 0 | -0.020 | -0.026 | 17.111 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 114 | ASN | 0 | -0.034 | -0.033 | 14.471 | 1.291 | 1.291 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 115 | PRO | 0 | -0.013 | -0.002 | 12.205 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 116 | PHE | 0 | 0.001 | -0.004 | 8.510 | 0.661 | 0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 117 | GLU | -1 | -0.888 | -0.915 | 12.138 | 16.955 | 16.955 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 118 | THR | 0 | -0.073 | -0.031 | 15.310 | -0.995 | -0.995 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 119 | THR | 0 | -0.005 | -0.008 | 16.800 | 0.832 | 0.832 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 120 | ILE | 0 | -0.010 | 0.009 | 16.175 | -0.757 | -0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 121 | THR | 0 | 0.017 | 0.017 | 18.958 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 122 | LEU | 0 | -0.027 | -0.012 | 17.943 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 123 | SER | 0 | 0.031 | 0.019 | 22.579 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 124 | ALA | 0 | -0.021 | 0.001 | 25.169 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 125 | GLU | -1 | -0.784 | -0.870 | 26.099 | 9.228 | 9.228 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 126 | PRO | 0 | 0.006 | 0.012 | 27.701 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 127 | GLN | 0 | -0.055 | -0.047 | 28.388 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 128 | ALA | 0 | 0.014 | 0.017 | 30.471 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 129 | ILE | 0 | 0.080 | 0.039 | 30.998 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 130 | PHE | 0 | 0.013 | 0.031 | 31.797 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 131 | LYS | 1 | 0.881 | 0.917 | 30.860 | -9.451 | -9.451 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 132 | VAL | 0 | 0.008 | 0.035 | 33.958 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 133 | HIS | 0 | 0.000 | 0.001 | 33.778 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 134 | ALA | 0 | 0.036 | 0.010 | 36.532 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 135 | VAL | 0 | 0.003 | 0.018 | 38.380 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 136 | SER | 0 | 0.016 | -0.029 | 40.173 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 137 | ARG | 1 | 0.919 | 0.961 | 42.207 | -7.359 | -7.359 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 138 | LEU | 0 | 0.018 | 0.017 | 45.928 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 139 | ALA | 0 | -0.122 | -0.069 | 48.696 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 140 | HIS | 0 | 0.073 | 0.048 | 50.310 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 141 | ARG | 1 | 0.832 | 0.879 | 53.962 | -5.332 | -5.332 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 142 | ILE | 0 | -0.012 | 0.006 | 56.491 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 143 | PRO | 0 | -0.016 | -0.001 | 59.522 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 144 | GLY | 0 | 0.058 | 0.008 | 62.684 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 145 | HIS | 0 | -0.058 | -0.018 | 61.829 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 146 | GLY | 0 | 0.001 | -0.002 | 65.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 147 | GLN | 0 | -0.014 | -0.020 | 66.856 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 148 | PRO | 0 | 0.004 | 0.010 | 62.533 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 149 | ILE | 0 | -0.028 | 0.000 | 58.284 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 150 | LEU | 0 | -0.035 | -0.024 | 59.830 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 151 | SER | 0 | -0.008 | -0.001 | 57.022 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 152 | CYS | 0 | -0.024 | -0.018 | 53.074 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 153 | GLN | 0 | 0.009 | 0.024 | 52.285 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 154 | PHE | 0 | 0.017 | 0.007 | 48.573 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 155 | SER | 0 | 0.028 | 0.023 | 52.067 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 156 | PRO | 0 | -0.051 | -0.019 | 49.613 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 157 | VAL | 0 | 0.010 | 0.010 | 49.029 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 158 | SER | 0 | -0.003 | 0.001 | 48.237 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 159 | SER | 0 | -0.021 | -0.044 | 47.118 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 160 | SER | 0 | 0.022 | 0.033 | 49.234 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 161 | ARG | 1 | 0.805 | 0.899 | 52.176 | -5.916 | -5.916 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 162 | LEU | 0 | 0.015 | 0.010 | 52.787 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 163 | ALA | 0 | 0.002 | 0.011 | 55.236 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 164 | THR | 0 | -0.018 | -0.023 | 56.932 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 165 | GLY | 0 | 0.051 | 0.027 | 59.390 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 166 | SER | 0 | 0.011 | 0.004 | 61.615 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 167 | GLY | 0 | 0.050 | 0.014 | 64.305 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 168 | ASP | -1 | -0.790 | -0.857 | 67.146 | 4.740 | 4.740 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 169 | ASN | 0 | -0.028 | -0.013 | 68.749 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 170 | THR | 0 | -0.081 | -0.057 | 67.308 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 171 | ALA | 0 | 0.051 | 0.017 | 63.149 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 172 | ARG | 1 | 0.847 | 0.923 | 62.369 | -4.994 | -4.994 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 173 | ILE | 0 | 0.012 | 0.022 | 59.363 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 174 | TRP | 0 | -0.014 | -0.033 | 57.410 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 175 | ASP | -1 | -0.779 | -0.850 | 56.839 | 5.680 | 5.680 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 176 | THR | 0 | -0.038 | -0.048 | 51.790 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 177 | ASP | -1 | -0.790 | -0.885 | 52.721 | 6.057 | 6.057 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 178 | SER | 0 | -0.076 | -0.050 | 53.768 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 179 | GLY | 0 | -0.007 | 0.006 | 56.263 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 180 | THR | 0 | -0.013 | -0.030 | 56.934 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 181 | PRO | 0 | -0.034 | -0.024 | 59.957 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 182 | LYS | 1 | 0.844 | 0.913 | 60.240 | -5.347 | -5.347 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 183 | PHE | 0 | 0.027 | 0.021 | 62.994 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 184 | THR | 0 | -0.034 | -0.034 | 64.799 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 185 | LEU | 0 | -0.006 | 0.021 | 63.491 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 186 | LYS | 1 | 0.961 | 0.964 | 67.768 | -4.422 | -4.422 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 187 | GLY | 0 | 0.054 | 0.019 | 71.094 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 188 | HIS | 0 | -0.059 | -0.007 | 67.670 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 189 | THR | 0 | -0.050 | -0.039 | 71.626 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 190 | GLY | 0 | 0.011 | 0.005 | 71.832 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 191 | TRP | 0 | 0.001 | 0.017 | 66.223 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 192 | VAL | 0 | -0.017 | -0.004 | 63.563 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 193 | LEU | 0 | -0.038 | -0.022 | 63.020 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 194 | GLY | 0 | 0.014 | 0.006 | 59.776 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 195 | VAL | 0 | -0.040 | -0.024 | 57.402 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 196 | SER | 0 | -0.022 | -0.013 | 56.209 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 197 | TRP | 0 | 0.024 | 0.005 | 54.669 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 198 | SER | 0 | -0.006 | -0.012 | 56.132 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 199 | PRO | 0 | -0.007 | -0.014 | 52.576 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 200 | ASP | -1 | -0.786 | -0.882 | 52.229 | 5.738 | 5.738 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 201 | GLY | 0 | -0.013 | -0.002 | 54.380 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 202 | LYS | 1 | 0.871 | 0.934 | 55.728 | -5.670 | -5.670 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 203 | TYR | 0 | 0.004 | 0.003 | 59.124 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 204 | LEU | 0 | -0.014 | 0.007 | 58.474 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 205 | ALA | 0 | 0.000 | 0.002 | 60.495 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 206 | THR | 0 | 0.003 | -0.017 | 61.256 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 207 | CYS | 0 | -0.035 | -0.001 | 63.094 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 208 | SER | 0 | 0.045 | 0.016 | 65.206 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 209 | MET | 0 | 0.002 | -0.004 | 67.698 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 210 | ASP | -1 | -0.715 | -0.826 | 70.054 | 4.439 | 4.439 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 211 | THR | 0 | -0.100 | -0.044 | 71.484 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 212 | THR | 0 | -0.078 | -0.062 | 70.965 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 213 | VAL | 0 | 0.023 | 0.008 | 65.288 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 214 | ARG | 1 | 0.780 | 0.885 | 66.770 | -4.542 | -4.542 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 215 | VAL | 0 | 0.052 | 0.019 | 63.994 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 216 | TRP | 0 | -0.013 | -0.022 | 64.190 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 217 | ASP | -1 | -0.746 | -0.872 | 63.695 | 4.999 | 4.999 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 218 | PRO | 0 | -0.033 | -0.022 | 59.764 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 219 | GLU | -1 | -0.928 | -0.959 | 59.752 | 5.410 | 5.410 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 220 | SER | 0 | -0.075 | -0.056 | 62.680 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 221 | GLY | 0 | 0.004 | 0.000 | 65.423 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 222 | LYS | 1 | 0.859 | 0.940 | 66.731 | -4.727 | -4.727 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 223 | GLN | 0 | 0.001 | 0.000 | 68.029 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 224 | VAL | 0 | -0.032 | -0.021 | 66.309 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 225 | ASN | 0 | -0.003 | 0.004 | 69.567 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 226 | GLN | 0 | 0.035 | 0.019 | 72.949 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 227 | GLU | -1 | -0.796 | -0.879 | 71.615 | 4.346 | 4.346 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 228 | PHE | 0 | 0.018 | 0.010 | 66.562 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 229 | ARG | 1 | 0.880 | 0.929 | 71.303 | -4.207 | -4.207 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 230 | GLY | 0 | 0.037 | 0.004 | 73.750 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 231 | HIS | 0 | -0.050 | -0.023 | 67.539 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 232 | ALA | 0 | 0.009 | 0.003 | 72.098 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 233 | LYS | 1 | 0.849 | 0.909 | 71.530 | -4.447 | -4.447 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 234 | TRP | 0 | 0.069 | 0.022 | 67.901 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 235 | VAL | 0 | -0.003 | 0.007 | 65.151 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 236 | LEU | 0 | -0.024 | -0.012 | 62.710 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 237 | ALA | 0 | 0.010 | 0.011 | 58.885 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 238 | LEU | 0 | -0.003 | -0.010 | 59.177 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 239 | ALA | 0 | -0.015 | -0.003 | 56.563 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 240 | TRP | 0 | 0.034 | 0.006 | 56.480 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 241 | GLN | 0 | -0.024 | -0.021 | 56.365 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 242 | PRO | 0 | 0.023 | 0.008 | 52.307 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 243 | TYR | 0 | 0.024 | -0.033 | 53.430 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 244 | HIS | 0 | -0.038 | -0.025 | 50.851 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 245 | LEU | 0 | -0.061 | -0.029 | 53.834 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 246 | TRP | 0 | -0.067 | -0.018 | 56.794 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 247 | ARG | 1 | 0.871 | 0.910 | 59.750 | -4.947 | -4.947 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 248 | ASP | -1 | -0.772 | -0.881 | 62.751 | 4.854 | 4.854 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 249 | GLY | 0 | 0.023 | 0.026 | 65.088 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 250 | THR | 0 | -0.061 | -0.031 | 65.220 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 251 | ALA | 0 | 0.024 | 0.035 | 61.269 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 252 | ARG | 1 | 0.749 | 0.829 | 61.116 | -5.075 | -5.075 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 253 | LEU | 0 | 0.004 | 0.015 | 60.666 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 254 | ALA | 0 | 0.004 | 0.011 | 60.514 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 255 | SER | 0 | -0.005 | -0.012 | 61.663 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 256 | ALA | 0 | 0.026 | 0.022 | 61.928 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 257 | SER | 0 | 0.065 | 0.028 | 63.950 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 258 | LYS | 1 | 0.941 | 0.981 | 66.893 | -4.617 | -4.617 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 259 | ASP | -1 | -0.805 | -0.879 | 68.720 | 4.525 | 4.525 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 260 | CYS | 0 | -0.086 | -0.019 | 67.814 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 261 | THR | 0 | -0.031 | -0.035 | 67.704 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 262 | VAL | 0 | 0.005 | -0.008 | 62.188 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 263 | ARG | 1 | 0.846 | 0.951 | 65.462 | -4.503 | -4.503 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 264 | ILE | 0 | 0.051 | 0.019 | 63.060 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 265 | TRP | 0 | -0.012 | -0.020 | 65.269 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 266 | LEU | 0 | 0.006 | 0.003 | 65.539 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 267 | VAL | 0 | 0.001 | 0.001 | 63.286 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 268 | ASN | 0 | 0.025 | 0.003 | 66.359 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 269 | THR | 0 | -0.024 | -0.023 | 68.774 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 270 | GLY | 0 | 0.034 | 0.031 | 70.368 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 271 | ARG | 1 | 0.920 | 0.972 | 70.855 | -4.497 | -4.497 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 272 | THR | 0 | -0.018 | -0.006 | 69.795 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 273 | GLU | -1 | -0.857 | -0.890 | 65.943 | 4.797 | 4.797 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 274 | HIS | 0 | 0.028 | 0.004 | 65.930 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 275 | VAL | 0 | 0.002 | -0.013 | 68.508 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 276 | LEU | 0 | 0.017 | 0.044 | 62.461 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 277 | SER | 0 | 0.009 | -0.016 | 66.572 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 278 | GLY | 0 | 0.043 | 0.003 | 67.327 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 279 | HIS | 0 | -0.029 | 0.003 | 61.510 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 280 | LYS | 1 | 0.838 | 0.898 | 66.767 | -4.648 | -4.648 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 281 | GLY | 0 | 0.060 | 0.030 | 67.266 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 282 | SER | 0 | 0.010 | 0.005 | 65.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 283 | VAL | 0 | -0.035 | -0.001 | 61.801 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 284 | SER | 0 | -0.021 | -0.022 | 59.906 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 285 | CYS | 0 | -0.065 | -0.018 | 56.398 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 286 | VAL | 0 | 0.042 | 0.004 | 57.578 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 287 | LYS | 1 | 0.809 | 0.902 | 50.434 | -6.146 | -6.146 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 288 | TRP | 0 | 0.005 | -0.028 | 54.335 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 289 | GLY | 0 | 0.013 | 0.017 | 51.526 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 290 | GLY | 0 | 0.005 | -0.024 | 50.101 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 291 | THR | 0 | -0.026 | -0.039 | 50.141 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 292 | ASP | -1 | -0.812 | -0.880 | 52.721 | 5.394 | 5.394 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 293 | LEU | 0 | -0.006 | 0.014 | 52.979 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 294 | ILE | 0 | -0.001 | -0.003 | 55.645 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 295 | TYR | 0 | -0.012 | -0.014 | 51.576 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 296 | THR | 0 | 0.008 | -0.018 | 56.452 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 297 | GLY | 0 | 0.051 | 0.018 | 57.782 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 298 | SER | 0 | -0.019 | -0.006 | 58.813 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 299 | HIS | 0 | 0.003 | -0.016 | 61.521 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 300 | ASP | -1 | -0.754 | -0.823 | 63.375 | 4.976 | 4.976 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 301 | ARG | 1 | 0.856 | 0.939 | 60.828 | -5.134 | -5.134 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 302 | SER | 0 | -0.070 | -0.054 | 59.777 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 303 | VAL | 0 | -0.002 | -0.011 | 54.240 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 304 | ARG | 1 | 0.794 | 0.900 | 57.681 | -5.012 | -5.012 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 305 | VAL | 0 | 0.023 | 0.012 | 54.579 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 306 | TRP | 0 | -0.006 | -0.023 | 57.823 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 307 | ASP | -1 | -0.752 | -0.867 | 58.935 | 5.335 | 5.335 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 308 | ALA | 0 | 0.003 | 0.009 | 59.715 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 309 | VAL | 0 | -0.013 | -0.001 | 60.709 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 310 | LYS | 1 | 0.844 | 0.906 | 61.529 | -5.250 | -5.250 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 311 | GLY | 0 | 0.015 | 0.024 | 64.672 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 312 | THR | 0 | -0.012 | -0.004 | 63.603 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 313 | LEU | 0 | -0.052 | -0.031 | 61.754 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 314 | VAL | 0 | -0.034 | -0.009 | 57.919 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 315 | HIS | 0 | 0.027 | 0.014 | 54.770 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 316 | ASN | 0 | 0.007 | -0.016 | 58.598 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 317 | PHE | 0 | 0.043 | 0.035 | 53.076 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 318 | THR | 0 | 0.014 | -0.013 | 57.498 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 319 | ALA | 0 | 0.006 | 0.013 | 54.659 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 320 | HIS | 0 | -0.006 | 0.026 | 53.213 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 321 | GLY | 0 | 0.054 | 0.023 | 57.058 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 322 | HIS | 0 | -0.014 | -0.004 | 58.779 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 323 | TRP | 0 | -0.014 | -0.013 | 59.848 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 324 | VAL | 0 | 0.019 | 0.022 | 55.976 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 325 | ASN | 0 | -0.012 | -0.004 | 56.751 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 326 | HIS | 0 | -0.008 | 0.008 | 52.796 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 327 | ILE | 0 | 0.009 | -0.002 | 51.887 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 328 | ALA | 0 | -0.043 | -0.011 | 47.894 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 329 | LEU | 0 | 0.046 | 0.015 | 47.893 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 330 | SER | 0 | -0.020 | -0.013 | 42.482 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 331 | SER | 0 | 0.009 | -0.016 | 43.155 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 332 | ASP | -1 | -0.755 | -0.873 | 45.664 | 6.412 | 6.412 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 333 | HIS | 0 | 0.005 | -0.001 | 43.191 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 334 | VAL | 0 | 0.001 | 0.006 | 42.448 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 335 | LEU | 0 | -0.019 | -0.003 | 45.257 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 336 | ARG | 1 | 0.758 | 0.843 | 47.621 | -6.628 | -6.628 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 337 | THR | 0 | -0.026 | -0.030 | 46.549 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 338 | ALA | 0 | 0.028 | 0.019 | 49.149 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 339 | TYR | 0 | 0.054 | 0.039 | 48.031 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 340 | HIS | 0 | 0.006 | 0.013 | 47.328 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 341 | ASP | -1 | -0.800 | -0.885 | 42.184 | 7.458 | 7.458 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 342 | HIS | 0 | 0.055 | 0.024 | 37.776 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 343 | THR | 0 | -0.003 | -0.011 | 40.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 344 | LYS | 1 | 0.851 | 0.921 | 41.776 | -7.593 | -7.593 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 345 | GLU | -1 | -0.892 | -0.936 | 42.279 | 7.356 | 7.356 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 346 | VAL | 0 | -0.037 | -0.023 | 46.451 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 347 | PRO | 0 | -0.010 | -0.004 | 48.646 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 348 | GLY | 0 | 0.037 | 0.024 | 50.976 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 349 | THR | 0 | -0.029 | -0.045 | 54.350 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 350 | GLU | -1 | -0.792 | -0.869 | 55.040 | 5.672 | 5.672 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 351 | GLU | -1 | -0.893 | -0.950 | 55.597 | 5.571 | 5.571 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 352 | GLU | -1 | -0.787 | -0.865 | 51.138 | 6.237 | 6.237 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 353 | ARG | 1 | 0.787 | 0.897 | 50.739 | -5.665 | -5.665 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 354 | ARG | 1 | 0.871 | 0.929 | 51.281 | -5.509 | -5.509 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 355 | ALA | 0 | -0.010 | 0.008 | 49.565 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 356 | LYS | 1 | 0.863 | 0.925 | 44.394 | -7.005 | -7.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 357 | ALA | 0 | -0.017 | -0.007 | 46.571 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 358 | LYS | 1 | 0.893 | 0.925 | 47.792 | -6.317 | -6.317 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 359 | GLU | -1 | -0.887 | -0.927 | 42.700 | 7.646 | 7.646 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 360 | ARG | 1 | 0.868 | 0.923 | 42.841 | -6.911 | -6.911 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 361 | PHE | 0 | -0.023 | -0.001 | 43.062 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 362 | GLU | -1 | -0.850 | -0.919 | 44.084 | 6.905 | 6.905 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 363 | LYS | 1 | 0.833 | 0.908 | 38.561 | -7.783 | -7.783 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 364 | ALA | 0 | 0.002 | 0.013 | 39.042 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 365 | ALA | 0 | -0.050 | -0.021 | 40.702 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 366 | LYS | 1 | 0.854 | 0.921 | 40.617 | -7.438 | -7.438 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 367 | ILE | 0 | -0.012 | 0.001 | 38.350 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 368 | LYS | 1 | 0.840 | 0.897 | 38.139 | -8.171 | -8.171 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 369 | GLY | 0 | 0.020 | 0.021 | 38.943 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 370 | LYS | 1 | 0.884 | 0.945 | 40.234 | -7.030 | -7.030 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 371 | VAL | 0 | 0.004 | -0.003 | 43.390 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 372 | ALA | 0 | -0.022 | -0.018 | 44.194 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 373 | GLU | -1 | -0.719 | -0.830 | 44.724 | 6.522 | 6.522 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 374 | ARG | 1 | 0.885 | 0.957 | 40.050 | -7.712 | -7.712 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 375 | LEU | 0 | -0.009 | 0.000 | 46.082 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 376 | VAL | 0 | -0.020 | -0.005 | 46.174 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 377 | SER | 0 | 0.008 | -0.011 | 48.452 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 378 | ALA | 0 | 0.021 | 0.003 | 50.842 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 379 | SER | 0 | 0.005 | -0.032 | 52.631 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 380 | ASP | -1 | -0.775 | -0.867 | 55.171 | 5.419 | 5.419 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 381 | ASP | -1 | -0.794 | -0.870 | 55.443 | 5.635 | 5.635 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 382 | PHE | 0 | -0.042 | -0.016 | 52.182 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 383 | THR | 0 | -0.047 | -0.002 | 51.043 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 384 | MET | 0 | -0.017 | -0.016 | 46.281 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 385 | TYR | 0 | -0.046 | -0.040 | 48.702 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 386 | LEU | 0 | 0.006 | 0.019 | 42.389 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 387 | TRP | 0 | -0.002 | -0.019 | 46.954 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 388 | ASP | -1 | -0.710 | -0.853 | 44.841 | 7.013 | 7.013 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 389 | PRO | 0 | 0.013 | -0.006 | 47.697 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 390 | THR | 0 | -0.040 | -0.005 | 47.615 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 391 | ASN | 0 | -0.077 | -0.054 | 44.585 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 392 | ASN | 0 | 0.002 | 0.006 | 45.650 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 393 | GLY | 0 | 0.006 | 0.015 | 49.110 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 394 | SER | 0 | -0.016 | -0.024 | 52.475 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 395 | LYS | 1 | 0.940 | 0.978 | 50.536 | -5.993 | -5.993 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 396 | PRO | 0 | -0.028 | -0.008 | 49.154 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 397 | VAL | 0 | -0.032 | -0.016 | 43.038 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 398 | ALA | 0 | 0.004 | 0.008 | 43.559 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 399 | ARG | 1 | 0.939 | 0.967 | 45.701 | -6.321 | -6.321 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 400 | LEU | 0 | -0.028 | 0.019 | 43.508 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 401 | LEU | 0 | 0.013 | -0.012 | 45.545 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 402 | GLY | 0 | 0.067 | 0.018 | 45.289 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 403 | HIS | 0 | -0.066 | -0.023 | 46.588 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 404 | GLN | 0 | -0.013 | -0.020 | 48.288 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 405 | ASN | 0 | 0.014 | 0.009 | 51.117 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 406 | LYS | 1 | 0.807 | 0.878 | 52.327 | -5.259 | -5.259 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 407 | VAL | 0 | 0.028 | 0.013 | 49.408 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 408 | ASN | 0 | -0.053 | -0.028 | 51.485 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 409 | HIS | 0 | 0.041 | 0.026 | 49.071 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 410 | VAL | 0 | 0.032 | 0.005 | 46.303 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 411 | GLN | 0 | -0.063 | -0.024 | 44.958 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 412 | PHE | 0 | 0.021 | 0.020 | 41.702 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 413 | SER | 0 | -0.030 | -0.025 | 37.525 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 414 | PRO | 0 | -0.023 | -0.029 | 38.891 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 415 | ASP | -1 | -0.746 | -0.785 | 35.144 | 8.675 | 8.675 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 416 | GLY | 0 | 0.005 | 0.006 | 37.985 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 417 | THR | 0 | -0.042 | -0.045 | 33.644 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 418 | LEU | 0 | -0.026 | -0.025 | 33.818 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 419 | ILE | 0 | 0.002 | 0.005 | 37.873 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 420 | ALA | 0 | 0.010 | 0.011 | 40.533 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 421 | SER | 0 | 0.027 | 0.004 | 42.380 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 422 | ALA | 0 | 0.009 | 0.016 | 45.206 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 423 | GLY | 0 | 0.064 | 0.023 | 47.646 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 424 | TRP | 0 | 0.002 | -0.019 | 50.386 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 425 | ASP | -1 | -0.766 | -0.841 | 48.429 | 6.494 | 6.494 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 426 | ASN | 0 | 0.008 | 0.019 | 49.118 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 427 | SER | 0 | -0.033 | -0.031 | 44.791 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 428 | THR | 0 | 0.034 | 0.001 | 42.448 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 429 | LYS | 1 | 0.791 | 0.912 | 41.215 | -6.770 | -6.770 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 430 | LEU | 0 | 0.006 | 0.003 | 36.196 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 431 | TRP | 0 | -0.010 | -0.025 | 38.624 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 432 | ASN | 0 | 0.026 | 0.001 | 35.619 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 433 | ALA | 0 | -0.028 | -0.002 | 37.542 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 434 | ARG | 1 | 0.808 | 0.867 | 33.238 | -9.195 | -9.195 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 435 | ASP | -1 | -0.786 | -0.887 | 36.798 | 8.325 | 8.325 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 436 | GLY | 0 | 0.015 | -0.001 | 39.935 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 437 | LYS | 1 | 0.865 | 0.934 | 35.325 | -8.664 | -8.664 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 438 | PHE | 0 | 0.015 | -0.001 | 38.396 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 439 | ILE | 0 | -0.023 | -0.003 | 33.239 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 440 | LYS | 1 | 0.852 | 0.928 | 31.563 | -9.384 | -9.384 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 441 | ASN | 0 | 0.016 | 0.004 | 36.936 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 442 | LEU | 0 | -0.020 | 0.003 | 37.182 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 443 | ARG | 1 | 0.855 | 0.907 | 40.352 | -7.126 | -7.126 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 444 | GLY | 0 | 0.071 | 0.022 | 41.429 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 445 | HIS | 0 | -0.034 | -0.012 | 43.976 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 446 | VAL | 0 | -0.029 | -0.017 | 47.187 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 447 | ALA | 0 | -0.005 | 0.000 | 50.164 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 448 | PRO | 0 | -0.035 | -0.009 | 51.271 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 449 | VAL | 0 | -0.019 | 0.008 | 47.092 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 450 | TYR | 0 | 0.030 | 0.014 | 50.468 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 451 | GLN | 0 | -0.038 | -0.025 | 50.462 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 452 | CYS | 0 | -0.088 | -0.045 | 44.918 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 453 | ALA | 0 | 0.050 | 0.025 | 45.033 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 454 | TRP | 0 | 0.009 | -0.008 | 36.579 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 455 | SER | 0 | -0.024 | -0.024 | 36.865 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 456 | ALA | 0 | 0.080 | 0.024 | 39.304 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 457 | ASP | -1 | -0.756 | -0.855 | 34.233 | 9.114 | 9.114 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 458 | SER | 0 | -0.016 | -0.040 | 34.537 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 459 | ARG | 1 | 0.734 | 0.854 | 29.231 | -9.949 | -9.949 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 460 | LEU | 0 | -0.031 | -0.015 | 33.864 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 461 | VAL | 0 | 0.027 | 0.024 | 36.701 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 462 | VAL | 0 | -0.020 | -0.002 | 40.149 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 463 | THR | 0 | 0.016 | -0.008 | 43.212 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 464 | GLY | 0 | 0.059 | 0.031 | 46.129 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 465 | SER | 0 | -0.032 | -0.014 | 49.563 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 466 | LYS | 1 | 0.897 | 0.916 | 51.843 | -5.478 | -5.478 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 467 | ASP | -1 | -0.740 | -0.843 | 49.873 | 6.321 | 6.321 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 468 | CYS | 0 | -0.040 | 0.007 | 53.078 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 469 | THR | 0 | -0.055 | -0.048 | 48.528 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 470 | LEU | 0 | 0.026 | 0.001 | 46.709 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 471 | LYS | 1 | 0.766 | 0.880 | 43.156 | -6.797 | -6.797 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 472 | VAL | 0 | 0.016 | 0.014 | 38.903 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 473 | TRP | 0 | 0.011 | -0.006 | 37.850 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 474 | ASN | 0 | 0.017 | 0.002 | 30.173 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 475 | VAL | 0 | 0.064 | 0.035 | 33.862 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 476 | ARG | 1 | 0.912 | 0.959 | 28.714 | -10.121 | -10.121 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 477 | THR | 0 | 0.029 | 0.002 | 27.955 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 478 | GLY | 0 | 0.011 | 0.019 | 30.314 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 479 | LYS | 1 | 0.845 | 0.908 | 31.702 | -9.593 | -9.593 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 480 | LEU | 0 | 0.030 | 0.024 | 35.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 481 | ALA | 0 | -0.067 | -0.041 | 35.576 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 482 | MET | 0 | -0.007 | 0.001 | 36.855 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 483 | ASP | -1 | -0.802 | -0.890 | 40.302 | 6.943 | 6.943 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 484 | LEU | 0 | -0.017 | 0.002 | 43.723 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 485 | PRO | 0 | 0.041 | 0.019 | 46.801 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 486 | GLY | 0 | 0.024 | 0.001 | 50.089 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 487 | HIS | 0 | -0.034 | 0.005 | 52.756 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 488 | GLU | -1 | -0.765 | -0.850 | 55.512 | 5.463 | 5.463 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 489 | ASP | -1 | -0.794 | -0.886 | 58.107 | 5.147 | 5.147 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 490 | GLU | -1 | -0.821 | -0.875 | 56.691 | 5.411 | 5.411 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 491 | VAL | 0 | -0.021 | 0.005 | 52.093 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 492 | TYR | 0 | -0.069 | -0.074 | 54.772 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 493 | ALA | 0 | -0.016 | -0.005 | 53.574 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 494 | VAL | 0 | 0.020 | -0.007 | 48.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 495 | ASP | -1 | -0.746 | -0.831 | 48.576 | 6.469 | 6.469 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 496 | TRP | 0 | -0.038 | -0.042 | 39.422 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 497 | ALA | 0 | -0.019 | 0.013 | 45.909 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 498 | ALA | 0 | 0.020 | -0.002 | 44.413 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 499 | ASP | -1 | -0.752 | -0.866 | 43.188 | 7.115 | 7.115 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 500 | GLY | 0 | -0.033 | -0.019 | 40.847 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 501 | GLU | -1 | -0.936 | -0.955 | 41.856 | 7.718 | 7.718 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 502 | LEU | 0 | -0.068 | -0.035 | 43.467 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 503 | VAL | 0 | -0.021 | 0.000 | 44.163 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 504 | ALA | 0 | 0.000 | -0.007 | 46.902 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 505 | SER | 0 | 0.014 | -0.020 | 50.342 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 506 | GLY | 0 | 0.030 | 0.008 | 52.708 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 507 | GLY | 0 | 0.057 | 0.030 | 55.968 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 508 | LYS | 1 | 0.816 | 0.893 | 58.476 | -5.242 | -5.242 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 509 | ASP | -1 | -0.746 | -0.853 | 58.195 | 5.428 | 5.428 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 510 | LYS | 1 | 0.823 | 0.927 | 61.197 | -5.056 | -5.056 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 511 | ALA | 0 | -0.041 | -0.018 | 59.676 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 512 | VAL | 0 | 0.037 | 0.026 | 55.722 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 513 | ARG | 1 | 0.754 | 0.871 | 52.714 | -5.750 | -5.750 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 514 | THR | 0 | 0.031 | 0.013 | 50.381 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 515 | TRP | 0 | 0.012 | 0.000 | 46.585 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 516 | ARG | 1 | 1.017 | 1.012 | 44.689 | -6.674 | -6.674 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 517 | ASN | 0 | 0.008 | 0.019 | 37.601 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |