FMODB ID: 53M6Z
Calculation Name: 4HNM-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4HNM
Chain ID: A
UniProt ID: Q8WYA6
Base Structure: X-ray
Registration Date: 2023-06-20
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 | OptHSide |
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 | 489 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9190083.432772 |
---|---|
FMO2-HF: Nuclear repulsion | 8989777.841902 |
FMO2-HF: Total energy | -200305.59087 |
FMO2-MP2: Total energy | -200879.13101 |
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:75:GLU)
Summations of interaction energy for
fragment #1(A:75:GLU)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
262.648 | 265.115 | 0.217 | -1.365 | -1.318 | -0.006 |
Interaction energy analysis for fragmet #1(A:75:GLU)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 77 | LEU | 0 | 0.032 | 0.013 | 2.936 | -0.488 | 1.979 | 0.217 | -1.365 | -1.318 | -0.006 |
4 | A | 78 | ASP | -1 | -0.778 | -0.868 | 5.574 | 33.019 | 33.019 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 79 | GLU | -1 | -0.794 | -0.907 | 7.548 | 22.631 | 22.631 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 80 | SER | 0 | -0.148 | -0.088 | 8.887 | -2.920 | -2.920 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 81 | SER | 0 | -0.089 | -0.090 | 6.688 | -1.666 | -1.666 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 82 | VAL | 0 | 0.157 | 0.096 | 8.867 | -1.394 | -1.394 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 83 | LYS | 1 | 0.974 | 1.003 | 11.725 | -22.040 | -22.040 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 84 | LYS | 1 | 0.811 | 0.902 | 7.603 | -29.268 | -29.268 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 85 | MET | 0 | -0.010 | 0.013 | 12.038 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 86 | ILE | 0 | 0.079 | 0.045 | 14.054 | -0.931 | -0.931 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 87 | LEU | 0 | -0.018 | -0.014 | 16.905 | -0.913 | -0.913 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 88 | THR | 0 | -0.065 | -0.037 | 15.324 | -0.805 | -0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 89 | PHE | 0 | 0.097 | 0.050 | 18.249 | -0.577 | -0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 90 | GLU | -1 | -0.827 | -0.910 | 20.096 | 11.185 | 11.185 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 91 | LYS | 1 | 0.811 | 0.925 | 19.332 | -14.574 | -14.574 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 92 | ARG | 1 | 0.823 | 0.888 | 17.128 | -14.710 | -14.710 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 93 | SER | 0 | 0.100 | 0.071 | 23.606 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 94 | TYR | 0 | -0.055 | -0.049 | 25.926 | -0.543 | -0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 95 | LYS | 1 | 0.790 | 0.881 | 25.564 | -11.255 | -11.255 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 96 | ASN | 0 | -0.007 | -0.006 | 27.363 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 97 | GLN | 0 | 0.025 | 0.015 | 29.111 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 98 | GLU | -1 | -0.925 | -0.954 | 30.567 | 9.139 | 9.139 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 99 | LEU | 0 | -0.052 | 0.013 | 32.207 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 100 | ARG | 1 | 0.845 | 0.922 | 34.471 | -8.314 | -8.314 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 101 | ILE | 0 | -0.067 | -0.036 | 37.198 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 102 | LYS | 1 | 0.979 | 1.010 | 37.314 | -7.406 | -7.406 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 103 | PHE | 0 | -0.006 | -0.038 | 38.174 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 104 | PRO | 0 | -0.048 | -0.026 | 36.612 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 105 | ASP | -1 | -0.712 | -0.892 | 31.579 | 9.204 | 9.204 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 106 | ASN | 0 | -0.089 | -0.025 | 32.746 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 107 | PRO | 0 | -0.026 | -0.015 | 33.686 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 108 | GLU | -1 | -0.837 | -0.907 | 27.115 | 10.634 | 10.634 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 109 | LYS | 1 | 0.750 | 0.846 | 26.882 | -10.367 | -10.367 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 110 | PHE | 0 | 0.028 | 0.023 | 30.353 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 111 | MET | 0 | 0.007 | 0.023 | 29.857 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 112 | GLU | -1 | -0.793 | -0.903 | 25.270 | 10.949 | 10.949 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 113 | SER | 0 | 0.000 | 0.002 | 25.627 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 114 | GLU | -1 | -0.818 | -0.887 | 26.098 | 9.531 | 9.531 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 115 | LEU | 0 | -0.064 | -0.026 | 23.808 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 116 | ASP | -1 | -0.788 | -0.865 | 21.617 | 13.182 | 13.182 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 117 | LEU | 0 | -0.045 | -0.030 | 21.123 | 0.573 | 0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 118 | ASN | 0 | 0.031 | 0.010 | 22.455 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 119 | ASP | -1 | -0.892 | -0.953 | 17.930 | 14.148 | 14.148 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 120 | ILE | 0 | 0.015 | 0.028 | 15.560 | 0.726 | 0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 121 | ILE | 0 | 0.005 | -0.001 | 17.229 | 0.630 | 0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 122 | GLN | 0 | -0.052 | -0.019 | 16.936 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 123 | GLU | -1 | -0.952 | -0.991 | 13.117 | 18.404 | 18.404 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 124 | MET | 0 | -0.079 | -0.060 | 13.551 | 0.972 | 0.972 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 125 | HIS | 0 | 0.079 | 0.044 | 15.358 | 0.629 | 0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 126 | VAL | 0 | -0.046 | -0.019 | 9.089 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 127 | VAL | 0 | -0.032 | -0.011 | 12.405 | 1.330 | 1.330 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 128 | ALA | 0 | 0.073 | 0.046 | 14.064 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 129 | THR | 0 | -0.098 | -0.058 | 11.321 | 0.690 | 0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 130 | MET | 0 | -0.100 | -0.048 | 8.835 | 2.116 | 2.116 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 131 | PRO | 0 | 0.101 | 0.053 | 13.399 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 132 | ASP | -1 | -0.877 | -0.909 | 15.704 | 16.071 | 16.071 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 133 | LEU | 0 | -0.084 | -0.043 | 11.503 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 134 | TYR | 0 | 0.023 | 0.001 | 15.732 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 135 | HIS | 0 | -0.040 | -0.033 | 17.263 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 136 | LEU | 0 | -0.051 | -0.021 | 14.202 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 137 | LEU | 0 | 0.008 | -0.005 | 17.828 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 138 | VAL | 0 | 0.011 | 0.011 | 20.204 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 139 | GLU | -1 | -0.892 | -0.928 | 20.070 | 13.761 | 13.761 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 140 | LEU | 0 | -0.094 | -0.051 | 18.006 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 141 | ASN | 0 | -0.079 | -0.044 | 22.415 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 142 | ALA | 0 | 0.061 | 0.039 | 21.113 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 143 | VAL | 0 | 0.080 | 0.037 | 23.108 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 144 | GLN | 0 | 0.009 | -0.002 | 25.008 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 145 | SER | 0 | -0.097 | -0.062 | 25.471 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 146 | LEU | 0 | -0.004 | -0.009 | 21.945 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 147 | LEU | 0 | 0.012 | 0.018 | 26.469 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 148 | GLY | 0 | -0.027 | -0.009 | 30.002 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 149 | LEU | 0 | -0.027 | -0.011 | 25.647 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 150 | LEU | 0 | 0.011 | 0.013 | 29.478 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 151 | GLY | 0 | -0.070 | -0.029 | 31.562 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 152 | HIS | 0 | -0.083 | -0.050 | 31.349 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 153 | ASP | -1 | -0.979 | -0.997 | 33.374 | 7.880 | 7.880 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 154 | ASN | 0 | -0.104 | -0.066 | 31.957 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 155 | THR | 0 | 0.034 | -0.009 | 31.936 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 156 | ASP | -1 | -0.920 | -0.965 | 28.475 | 9.447 | 9.447 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 157 | VAL | 0 | -0.020 | -0.017 | 26.843 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 158 | SER | 0 | -0.017 | 0.015 | 27.291 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 159 | ILE | 0 | 0.050 | 0.019 | 26.942 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 160 | ALA | 0 | -0.006 | 0.019 | 23.488 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 161 | VAL | 0 | 0.006 | 0.000 | 23.499 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 162 | VAL | 0 | -0.034 | -0.016 | 25.029 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 163 | ASP | -1 | -0.853 | -0.938 | 22.022 | 12.387 | 12.387 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 164 | LEU | 0 | -0.001 | 0.007 | 18.716 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 165 | LEU | 0 | -0.031 | -0.025 | 21.873 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 166 | GLN | 0 | -0.016 | 0.007 | 23.411 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 167 | GLU | -1 | -0.935 | -0.957 | 17.978 | 14.829 | 14.829 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 168 | LEU | 0 | -0.085 | -0.057 | 18.453 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 169 | THR | 0 | -0.066 | -0.063 | 21.271 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 170 | ASP | -1 | -0.817 | -0.898 | 22.173 | 12.112 | 12.112 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 171 | ILE | 0 | 0.027 | 0.002 | 23.939 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 172 | ASP | -1 | -0.911 | -0.951 | 22.717 | 12.171 | 12.171 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 173 | THR | 0 | -0.055 | -0.029 | 19.083 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 174 | LEU | 0 | -0.074 | -0.045 | 21.005 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 175 | HIS | 0 | -0.029 | -0.005 | 23.581 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 176 | GLU | -1 | -1.048 | -1.014 | 17.289 | 17.132 | 17.132 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 177 | SER | 0 | -0.075 | -0.067 | 19.306 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 178 | GLU | -1 | -0.910 | -0.955 | 21.168 | 10.972 | 10.972 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 179 | GLU | -1 | -1.021 | -1.026 | 23.087 | 12.068 | 12.068 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 180 | GLY | 0 | -0.018 | 0.003 | 20.500 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 181 | ALA | 0 | 0.042 | 0.015 | 21.475 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 182 | GLU | -1 | -0.824 | -0.903 | 23.499 | 10.075 | 10.075 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 183 | VAL | 0 | -0.032 | -0.014 | 22.650 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 184 | LEU | 0 | 0.007 | 0.010 | 21.680 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 185 | ILE | 0 | 0.049 | 0.032 | 24.877 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 186 | ASP | -1 | -0.840 | -0.912 | 27.998 | 9.672 | 9.672 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 187 | ALA | 0 | -0.024 | -0.018 | 26.731 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 188 | LEU | 0 | -0.039 | -0.027 | 25.870 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 189 | VAL | 0 | -0.024 | -0.020 | 29.429 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 190 | ASP | -1 | -0.977 | -0.967 | 31.945 | 8.646 | 8.646 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 191 | GLY | 0 | -0.056 | -0.028 | 32.000 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 192 | GLN | 0 | -0.086 | -0.051 | 33.126 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 193 | VAL | 0 | 0.077 | 0.033 | 29.727 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 194 | VAL | 0 | 0.035 | 0.014 | 32.812 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 195 | ALA | 0 | 0.014 | 0.011 | 35.399 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 196 | LEU | 0 | -0.014 | -0.006 | 33.562 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 197 | LEU | 0 | 0.023 | 0.018 | 30.335 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 198 | VAL | 0 | 0.013 | 0.011 | 34.438 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 199 | GLN | 0 | -0.060 | -0.013 | 37.777 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 200 | ASN | 0 | -0.011 | -0.017 | 32.949 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 201 | LEU | 0 | 0.055 | 0.034 | 34.895 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 202 | GLU | -1 | -1.016 | -0.994 | 37.103 | 6.722 | 6.722 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 203 | ARG | 1 | 0.757 | 0.861 | 33.702 | -8.666 | -8.666 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 204 | LEU | 0 | -0.007 | 0.030 | 33.932 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 205 | ASP | -1 | -0.851 | -0.919 | 37.392 | 7.056 | 7.056 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 206 | GLU | -1 | -0.793 | -0.850 | 37.149 | 7.799 | 7.799 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 207 | SER | 0 | -0.160 | -0.097 | 38.233 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 208 | VAL | 0 | -0.008 | 0.002 | 33.732 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 209 | LYS | 1 | 0.868 | 0.914 | 29.263 | -9.372 | -9.372 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 210 | GLU | -1 | -0.798 | -0.885 | 28.720 | 9.337 | 9.337 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 211 | GLU | -1 | -0.758 | -0.882 | 30.709 | 8.458 | 8.458 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 212 | ALA | 0 | -0.102 | -0.048 | 33.211 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 213 | ASP | -1 | -0.876 | -0.952 | 29.037 | 9.392 | 9.392 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 214 | GLY | 0 | 0.039 | 0.030 | 30.009 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 215 | VAL | 0 | -0.007 | -0.009 | 31.073 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 216 | HIS | 0 | -0.077 | -0.036 | 30.291 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 217 | ASN | 0 | 0.033 | -0.003 | 25.590 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 218 | THR | 0 | -0.047 | -0.029 | 29.050 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 219 | LEU | 0 | -0.080 | -0.055 | 31.442 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 220 | ALA | 0 | 0.058 | 0.038 | 28.650 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 221 | ILE | 0 | 0.001 | 0.021 | 27.439 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 222 | VAL | 0 | -0.071 | -0.046 | 29.594 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 223 | GLU | -1 | -0.887 | -0.924 | 31.985 | 9.044 | 9.044 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 224 | ASN | 0 | 0.066 | 0.045 | 26.800 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 225 | MET | 0 | -0.001 | -0.005 | 29.554 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 226 | ALA | 0 | -0.043 | -0.016 | 31.422 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 227 | GLU | -1 | -0.975 | -0.993 | 31.852 | 9.590 | 9.590 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 228 | PHE | 0 | -0.042 | -0.012 | 27.362 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 229 | ARG | 1 | 0.777 | 0.866 | 30.703 | -9.784 | -9.784 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 230 | PRO | 0 | 0.048 | 0.024 | 34.170 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 231 | GLU | -1 | -0.948 | -0.980 | 36.568 | 8.294 | 8.294 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 232 | MET | 0 | -0.016 | 0.001 | 33.579 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 233 | CYS | 0 | -0.001 | 0.003 | 37.411 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 234 | THR | 0 | -0.001 | -0.012 | 39.735 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 235 | GLU | -1 | -0.881 | -0.926 | 36.764 | 8.267 | 8.267 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 236 | GLY | 0 | 0.079 | 0.029 | 38.266 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 237 | ALA | 0 | -0.039 | -0.019 | 39.124 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 238 | GLN | 0 | -0.045 | -0.040 | 42.303 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 239 | GLN | 0 | -0.051 | -0.025 | 37.784 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 240 | GLY | 0 | 0.012 | 0.006 | 41.443 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 241 | LEU | 0 | 0.060 | 0.042 | 37.605 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 242 | LEU | 0 | 0.029 | 0.011 | 41.035 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 243 | GLN | 0 | -0.023 | -0.023 | 43.942 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 244 | TRP | 0 | 0.042 | 0.015 | 39.336 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 245 | LEU | 0 | 0.067 | 0.032 | 39.328 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 246 | LEU | 0 | -0.040 | -0.011 | 43.158 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 247 | LYS | 1 | 0.839 | 0.909 | 44.984 | -6.827 | -6.827 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 248 | ARG | 1 | 0.787 | 0.849 | 39.926 | -7.458 | -7.458 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 249 | LEU | 0 | -0.005 | 0.004 | 44.123 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 250 | LYS | 1 | 0.833 | 0.902 | 46.189 | -5.866 | -5.866 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 251 | ALA | 0 | -0.008 | 0.009 | 46.002 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 252 | LYS | 1 | 0.886 | 0.941 | 47.956 | -5.840 | -5.840 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 253 | MET | 0 | 0.039 | 0.026 | 42.921 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 254 | PRO | 0 | -0.073 | -0.046 | 44.111 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 255 | PHE | 0 | 0.012 | -0.013 | 42.643 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 256 | ASP | -1 | -0.786 | -0.862 | 39.076 | 7.376 | 7.376 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 257 | ALA | 0 | 0.035 | -0.008 | 36.222 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 258 | ASN | 0 | 0.070 | 0.037 | 35.310 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 259 | LYS | 1 | 0.827 | 0.916 | 37.819 | -6.577 | -6.577 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 260 | LEU | 0 | -0.053 | -0.040 | 38.572 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 261 | TYR | 0 | 0.043 | 0.016 | 31.690 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 262 | CYS | 0 | -0.048 | -0.027 | 37.783 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 263 | SER | 0 | -0.111 | -0.071 | 40.110 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 264 | GLU | -1 | -0.859 | -0.923 | 37.312 | 7.968 | 7.968 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 265 | VAL | 0 | 0.072 | 0.044 | 36.224 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 266 | LEU | 0 | -0.061 | -0.041 | 39.004 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 267 | ALA | 0 | -0.042 | -0.028 | 42.322 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 268 | ILE | 0 | 0.051 | 0.026 | 36.586 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 269 | LEU | 0 | -0.029 | -0.005 | 39.512 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 270 | LEU | 0 | -0.038 | -0.026 | 42.140 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 271 | GLN | 0 | -0.028 | -0.011 | 41.421 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 272 | ASP | -1 | -0.925 | -0.975 | 44.316 | 6.836 | 6.836 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 273 | ASN | 0 | 0.068 | 0.031 | 43.791 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 274 | ASP | -1 | -0.841 | -0.925 | 46.877 | 6.061 | 6.061 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 275 | GLU | -1 | -0.894 | -0.949 | 47.037 | 6.502 | 6.502 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 276 | ASN | 0 | 0.029 | 0.003 | 43.193 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 277 | ARG | 1 | 0.753 | 0.884 | 47.677 | -6.474 | -6.474 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 278 | GLU | -1 | -0.759 | -0.849 | 50.582 | 5.529 | 5.529 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 279 | LEU | 0 | -0.012 | 0.013 | 46.606 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 280 | LEU | 0 | 0.031 | 0.003 | 48.004 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 281 | GLY | 0 | -0.048 | -0.033 | 50.550 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 282 | GLU | -1 | -0.912 | -0.947 | 53.702 | 5.384 | 5.384 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 283 | LEU | 0 | -0.042 | -0.019 | 48.669 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 284 | ASP | -1 | -0.924 | -0.944 | 52.854 | 5.405 | 5.405 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 285 | GLY | 0 | 0.051 | 0.016 | 51.583 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 286 | ILE | 0 | -0.007 | -0.018 | 52.444 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 287 | ASP | -1 | -0.834 | -0.928 | 54.736 | 5.294 | 5.294 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 288 | VAL | 0 | -0.039 | -0.008 | 49.815 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 289 | LEU | 0 | 0.051 | 0.029 | 48.710 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 290 | LEU | 0 | -0.007 | 0.003 | 52.217 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 291 | GLN | 0 | 0.010 | 0.008 | 53.546 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 292 | GLN | 0 | 0.018 | 0.039 | 49.025 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 293 | LEU | 0 | 0.047 | 0.027 | 51.291 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 294 | SER | 0 | -0.163 | -0.096 | 53.688 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 295 | VAL | 0 | 0.028 | 0.012 | 52.379 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 296 | PHE | 0 | 0.081 | 0.044 | 49.637 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 297 | LYS | 1 | 0.873 | 0.959 | 55.570 | -5.163 | -5.163 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 298 | ARG | 1 | 0.790 | 0.872 | 58.729 | -4.921 | -4.921 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 299 | HIS | 0 | -0.002 | -0.004 | 56.126 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 300 | ASN | 0 | 0.046 | 0.013 | 53.730 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 301 | PRO | 0 | 0.051 | 0.046 | 48.861 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 302 | SER | 0 | -0.058 | -0.024 | 49.085 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 303 | THR | 0 | 0.018 | 0.010 | 43.819 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 304 | ALA | 0 | -0.040 | -0.026 | 43.274 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 305 | GLU | -1 | -0.763 | -0.891 | 40.003 | 7.229 | 7.229 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 306 | GLU | -1 | -0.895 | -0.946 | 42.645 | 6.258 | 6.258 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 307 | GLN | 0 | -0.063 | -0.054 | 45.672 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 308 | GLU | -1 | -0.880 | -0.924 | 40.386 | 7.464 | 7.464 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 309 | MET | 0 | 0.047 | 0.039 | 43.793 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 310 | MET | 0 | -0.111 | -0.050 | 44.780 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 311 | GLU | -1 | -0.825 | -0.912 | 46.882 | 6.028 | 6.028 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 312 | ASN | 0 | 0.107 | 0.056 | 41.694 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 313 | LEU | 0 | -0.023 | -0.014 | 45.691 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 314 | PHE | 0 | -0.070 | -0.068 | 48.213 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 315 | ASP | -1 | -0.759 | -0.861 | 46.558 | 6.411 | 6.411 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 316 | SER | 0 | 0.055 | 0.045 | 46.181 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 317 | LEU | 0 | -0.046 | -0.022 | 48.269 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 318 | CYS | 0 | -0.071 | -0.054 | 51.411 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 319 | SER | 0 | 0.029 | 0.015 | 48.364 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 320 | CYS | 0 | -0.027 | -0.004 | 50.370 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 321 | LEU | 0 | -0.042 | -0.025 | 52.578 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 322 | MET | 0 | -0.010 | 0.010 | 50.289 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 323 | LEU | 0 | 0.005 | 0.039 | 53.358 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 324 | SER | 0 | -0.024 | -0.047 | 56.021 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 325 | SER | 0 | -0.034 | -0.020 | 57.196 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 326 | ASN | 0 | 0.023 | 0.006 | 53.720 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 327 | ARG | 1 | 0.760 | 0.886 | 57.945 | -5.318 | -5.318 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 328 | GLU | -1 | -0.914 | -0.965 | 60.990 | 4.851 | 4.851 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 329 | ARG | 1 | 0.816 | 0.878 | 56.489 | -5.625 | -5.625 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 330 | PHE | 0 | 0.035 | 0.018 | 58.132 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 331 | LEU | 0 | -0.092 | -0.056 | 60.351 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 332 | LYS | 1 | 0.791 | 0.888 | 59.762 | -5.291 | -5.291 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 333 | GLY | 0 | 0.042 | 0.032 | 60.564 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 334 | GLU | -1 | -0.972 | -0.980 | 61.608 | 4.683 | 4.683 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 335 | GLY | 0 | 0.068 | 0.026 | 60.519 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 336 | LEU | 0 | -0.036 | -0.016 | 61.182 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 337 | GLN | 0 | -0.046 | -0.047 | 64.033 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 338 | LEU | 0 | -0.005 | 0.012 | 57.766 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 339 | MET | 0 | 0.071 | 0.052 | 56.365 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 340 | ASN | 0 | 0.037 | 0.019 | 61.289 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 341 | LEU | 0 | -0.060 | -0.027 | 62.879 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 342 | MET | 0 | 0.032 | 0.018 | 56.035 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 343 | LEU | 0 | -0.031 | -0.004 | 61.352 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 344 | ARG | 1 | 0.845 | 0.922 | 63.338 | -4.579 | -4.579 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 345 | GLU | -1 | -0.805 | -0.882 | 62.359 | 4.805 | 4.805 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 346 | LYS | 1 | 0.827 | 0.925 | 61.912 | -4.686 | -4.686 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 347 | LYS | 1 | 0.855 | 0.928 | 57.771 | -5.033 | -5.033 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 348 | ILE | 0 | 0.034 | -0.001 | 52.136 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 349 | SER | 0 | 0.070 | 0.008 | 54.941 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 350 | ARG | 1 | 0.832 | 0.937 | 55.942 | -5.121 | -5.121 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 351 | SER | 0 | -0.017 | -0.018 | 54.872 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 352 | SER | 0 | 0.012 | -0.009 | 52.445 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 353 | ALA | 0 | 0.035 | 0.021 | 55.086 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 354 | LEU | 0 | -0.088 | -0.049 | 57.871 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 355 | LYS | 1 | 0.870 | 0.927 | 50.548 | -6.238 | -6.238 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 356 | VAL | 0 | 0.061 | 0.032 | 55.202 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 357 | LEU | 0 | -0.088 | -0.054 | 57.532 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 358 | ASP | -1 | -0.841 | -0.917 | 59.283 | 5.194 | 5.194 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 359 | HIS | 0 | 0.054 | 0.026 | 53.452 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 360 | ALA | 0 | 0.002 | 0.022 | 58.727 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 361 | MET | 0 | -0.074 | -0.054 | 61.003 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 362 | ILE | 0 | 0.046 | 0.042 | 59.691 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 363 | GLY | 0 | 0.060 | 0.039 | 62.778 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 364 | PRO | 0 | -0.025 | -0.021 | 64.430 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 365 | GLU | -1 | -0.699 | -0.804 | 61.313 | 5.079 | 5.079 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 366 | GLY | 0 | 0.087 | 0.061 | 64.286 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 367 | THR | 0 | -0.064 | -0.058 | 65.340 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 368 | ASP | -1 | -0.849 | -0.906 | 67.736 | 4.530 | 4.530 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 369 | ASN | 0 | 0.008 | -0.006 | 63.688 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 370 | CYS | 0 | -0.053 | 0.002 | 67.121 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 371 | HIS | 0 | -0.004 | -0.023 | 69.129 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 372 | LYS | 1 | 0.993 | 1.006 | 68.646 | -4.550 | -4.550 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 373 | PHE | 0 | 0.036 | 0.012 | 66.436 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 374 | VAL | 0 | -0.062 | -0.036 | 69.420 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 375 | ASP | -1 | -0.838 | -0.905 | 73.000 | 4.153 | 4.153 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 376 | ILE | 0 | -0.062 | -0.004 | 67.613 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 377 | LEU | 0 | -0.100 | -0.063 | 71.599 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 378 | GLY | 0 | 0.108 | 0.070 | 69.907 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 379 | LEU | 0 | -0.009 | -0.015 | 70.243 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 380 | ARG | 1 | 0.900 | 0.939 | 72.596 | -4.162 | -4.162 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 381 | THR | 0 | -0.037 | -0.019 | 66.880 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 382 | ILE | 0 | 0.042 | 0.025 | 65.587 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 383 | PHE | 0 | 0.025 | 0.001 | 68.604 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 384 | PRO | 0 | -0.073 | -0.036 | 69.759 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 385 | LEU | 0 | -0.011 | -0.005 | 63.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 386 | PHE | 0 | 0.051 | 0.044 | 67.091 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 387 | MET | 0 | -0.028 | 0.003 | 69.288 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 388 | LYS | 1 | 0.921 | 0.963 | 68.621 | -4.562 | -4.562 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 389 | SER | 0 | 0.041 | 0.025 | 63.503 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 390 | PRO | 0 | -0.073 | -0.034 | 61.254 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 391 | ARG | 1 | 0.986 | 1.006 | 61.231 | -5.019 | -5.019 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 392 | LYS | 1 | 0.831 | 0.898 | 54.027 | -5.737 | -5.737 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 393 | ILE | 0 | 0.020 | -0.006 | 56.264 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 394 | LYS | 1 | 0.957 | 0.978 | 50.923 | -5.981 | -5.981 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 395 | LYS | 1 | 0.991 | 1.015 | 49.553 | -6.050 | -6.050 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 396 | VAL | 0 | -0.007 | 0.006 | 51.182 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 397 | GLY | 0 | 0.103 | 0.044 | 50.681 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 398 | THR | 0 | 0.035 | 0.016 | 51.541 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 399 | THR | 0 | -0.058 | -0.054 | 53.980 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 400 | GLU | -1 | -0.920 | -0.976 | 56.503 | 4.970 | 4.970 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 401 | LYS | 1 | 0.890 | 0.944 | 56.352 | -5.691 | -5.691 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 402 | GLU | -1 | -0.693 | -0.805 | 53.032 | 5.888 | 5.888 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 403 | HIS | 0 | -0.064 | -0.029 | 57.731 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 404 | GLU | -1 | -0.773 | -0.870 | 60.302 | 4.826 | 4.826 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 405 | GLU | -1 | -0.766 | -0.885 | 57.961 | 5.438 | 5.438 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 406 | HIS | 0 | 0.037 | 0.015 | 56.021 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 407 | VAL | 0 | -0.052 | -0.018 | 61.360 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 408 | CYS | 0 | -0.056 | -0.039 | 64.900 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 409 | SER | 0 | 0.053 | 0.016 | 61.995 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 410 | ILE | 0 | -0.007 | -0.002 | 62.467 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 411 | LEU | 0 | -0.072 | -0.045 | 65.595 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 412 | ALA | 0 | 0.007 | 0.002 | 66.830 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 413 | SER | 0 | 0.032 | 0.018 | 65.194 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 414 | LEU | 0 | -0.028 | -0.022 | 67.772 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 415 | LEU | 0 | -0.062 | -0.037 | 70.730 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 416 | ARG | 1 | 0.872 | 0.953 | 68.246 | -4.755 | -4.755 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 417 | ASN | 0 | 0.022 | -0.012 | 67.298 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 418 | LEU | 0 | -0.074 | -0.013 | 71.852 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 419 | ARG | 1 | 0.856 | 0.903 | 74.199 | -4.326 | -4.326 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 420 | GLY | 0 | 0.049 | 0.034 | 77.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 421 | GLN | 0 | 0.030 | -0.001 | 80.917 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 422 | GLN | 0 | -0.009 | -0.030 | 75.329 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 423 | ARG | 1 | 0.850 | 0.914 | 75.747 | -4.155 | -4.155 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 424 | THR | 0 | -0.009 | -0.012 | 78.213 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 425 | ARG | 1 | 0.830 | 0.906 | 77.208 | -4.112 | -4.112 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 426 | LEU | 0 | 0.023 | 0.020 | 73.494 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 427 | LEU | 0 | 0.023 | 0.002 | 77.128 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 428 | ASN | 0 | 0.000 | -0.005 | 79.872 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 429 | LYS | 1 | 0.762 | 0.883 | 75.777 | -4.152 | -4.152 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 430 | PHE | 0 | 0.032 | 0.004 | 73.818 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 431 | THR | 0 | 0.002 | 0.014 | 79.557 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 432 | GLU | -1 | -0.781 | -0.851 | 78.549 | 4.033 | 4.033 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 433 | ASN | 0 | -0.066 | -0.060 | 80.243 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 434 | ASP | -1 | -0.842 | -0.907 | 83.153 | 3.742 | 3.742 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 435 | SER | 0 | 0.000 | -0.010 | 81.820 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 436 | GLU | -1 | -0.775 | -0.852 | 77.991 | 4.099 | 4.099 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 437 | LYS | 1 | 0.778 | 0.854 | 75.264 | -4.095 | -4.095 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 438 | VAL | 0 | -0.004 | 0.001 | 75.954 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 439 | ASP | -1 | -0.821 | -0.904 | 77.428 | 3.999 | 3.999 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 440 | ARG | 1 | 0.816 | 0.901 | 67.812 | -4.566 | -4.566 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 441 | LEU | 0 | -0.006 | -0.001 | 71.768 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 442 | MET | 0 | -0.035 | -0.023 | 73.052 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 443 | GLU | -1 | -0.929 | -0.946 | 72.179 | 4.457 | 4.457 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 444 | LEU | 0 | -0.017 | -0.014 | 67.538 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 445 | HIS | 0 | 0.012 | 0.010 | 69.119 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 446 | PHE | 0 | -0.014 | -0.036 | 70.334 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 447 | LYS | 1 | 0.813 | 0.917 | 65.029 | -4.883 | -4.883 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 448 | TYR | 0 | 0.038 | -0.023 | 62.406 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 449 | LEU | 0 | -0.031 | 0.011 | 66.041 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 450 | GLY | 0 | 0.016 | 0.012 | 67.856 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 451 | ALA | 0 | 0.017 | 0.004 | 62.958 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 452 | MET | 0 | -0.008 | 0.023 | 61.593 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 453 | GLN | 0 | -0.010 | -0.027 | 64.282 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 454 | VAL | 0 | -0.059 | -0.033 | 62.884 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 455 | ALA | 0 | 0.017 | 0.009 | 60.021 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 456 | ASP | -1 | -0.803 | -0.896 | 61.026 | 5.143 | 5.143 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 457 | LYS | 1 | 0.780 | 0.886 | 63.364 | -4.908 | -4.908 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 458 | LYS | 1 | 0.890 | 0.950 | 55.894 | -5.689 | -5.689 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 459 | ILE | 0 | 0.016 | 0.026 | 57.798 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 460 | GLU | -1 | -0.864 | -0.915 | 59.946 | 4.922 | 4.922 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 461 | GLY | 0 | -0.012 | -0.011 | 62.514 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 462 | GLU | -1 | -0.762 | -0.878 | 55.607 | 5.805 | 5.805 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 463 | LYS | 1 | 0.824 | 0.905 | 58.202 | -5.430 | -5.430 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 464 | HIS | 0 | -0.031 | -0.012 | 59.799 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 465 | ASP | -1 | -0.846 | -0.917 | 58.055 | 5.409 | 5.409 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 466 | MET | 0 | -0.020 | 0.008 | 53.511 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 467 | VAL | 0 | -0.005 | 0.008 | 57.324 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 468 | ARG | 1 | 0.747 | 0.858 | 60.231 | -5.320 | -5.320 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 469 | ARG | 1 | 0.790 | 0.881 | 53.295 | -5.963 | -5.963 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 470 | GLY | 0 | -0.017 | 0.009 | 55.295 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 471 | GLU | -1 | -0.868 | -0.924 | 52.129 | 6.266 | 6.266 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 472 | ILE | 0 | -0.050 | -0.036 | 53.519 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 473 | ILE | 0 | 0.000 | 0.003 | 53.434 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 474 | ASP | -1 | -0.821 | -0.899 | 49.874 | 6.391 | 6.391 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 475 | ASN | 0 | -0.003 | -0.024 | 50.642 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 476 | ASP | -1 | -0.858 | -0.912 | 46.165 | 6.904 | 6.904 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 477 | THR | 0 | -0.046 | -0.047 | 49.613 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 478 | GLU | -1 | -0.806 | -0.909 | 52.247 | 5.494 | 5.494 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 479 | GLU | -1 | -0.888 | -0.931 | 49.310 | 6.172 | 6.172 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 480 | GLU | -1 | -0.889 | -0.929 | 49.370 | 6.271 | 6.271 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 481 | PHE | 0 | -0.042 | -0.056 | 51.423 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 482 | TYR | 0 | 0.001 | 0.005 | 53.994 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 483 | LEU | 0 | 0.077 | 0.029 | 49.013 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 484 | ARG | 1 | 0.736 | 0.840 | 53.117 | -5.975 | -5.975 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 485 | ARG | 1 | 0.847 | 0.918 | 55.386 | -5.286 | -5.286 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 486 | LEU | 0 | -0.012 | -0.012 | 53.961 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 487 | ASP | -1 | -0.929 | -0.955 | 54.111 | 5.852 | 5.852 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 488 | ALA | 0 | -0.033 | -0.011 | 56.148 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 489 | GLY | 0 | -0.044 | -0.037 | 59.340 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 490 | LEU | 0 | 0.000 | 0.001 | 60.174 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 491 | PHE | 0 | 0.083 | 0.030 | 56.153 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 492 | VAL | 0 | 0.027 | 0.026 | 61.748 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 493 | LEU | 0 | -0.013 | -0.003 | 63.646 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 494 | GLN | 0 | 0.046 | 0.021 | 63.547 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 495 | HIS | 0 | 0.045 | 0.030 | 62.166 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 496 | ILE | 0 | -0.007 | 0.003 | 67.177 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 497 | CYS | 0 | -0.055 | -0.025 | 69.671 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 498 | TYR | 0 | -0.038 | -0.035 | 69.633 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 499 | ILE | 0 | -0.012 | -0.004 | 69.033 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 500 | MET | 0 | -0.030 | -0.018 | 72.821 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 501 | ALA | 0 | 0.013 | -0.001 | 74.856 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 502 | GLU | -1 | -0.756 | -0.837 | 74.194 | 4.211 | 4.211 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 503 | ILE | 0 | -0.027 | -0.014 | 76.183 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 504 | CYS | 0 | -0.150 | -0.065 | 78.717 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 505 | ASN | 0 | -0.022 | -0.022 | 79.321 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 506 | ALA | 0 | -0.037 | -0.004 | 80.985 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 507 | ASN | 0 | -0.027 | -0.016 | 82.841 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 508 | VAL | 0 | 0.056 | 0.037 | 84.438 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 509 | PRO | 0 | -0.013 | -0.022 | 85.790 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 510 | GLN | 0 | -0.013 | -0.007 | 85.267 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 511 | ILE | 0 | 0.068 | 0.033 | 80.818 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 512 | ARG | 1 | 0.959 | 0.977 | 82.970 | -3.663 | -3.663 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 513 | GLN | 0 | -0.003 | -0.009 | 84.422 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 514 | ARG | 1 | 0.840 | 0.904 | 82.245 | -3.826 | -3.826 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 515 | VAL | 0 | 0.057 | 0.020 | 79.232 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 516 | HIS | 1 | 0.835 | 0.893 | 81.513 | -3.887 | -3.887 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 517 | GLN | 0 | 0.004 | 0.017 | 83.711 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 518 | ILE | 0 | 0.018 | 0.007 | 79.253 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 519 | LEU | 0 | -0.040 | -0.023 | 77.534 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 520 | ASN | 0 | -0.015 | -0.006 | 81.035 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 521 | MET | 0 | -0.036 | -0.012 | 83.800 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 522 | ARG | 1 | 0.930 | 0.980 | 74.667 | -4.214 | -4.214 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 523 | GLY | 0 | -0.004 | 0.017 | 79.329 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 524 | SER | 0 | 0.018 | 0.015 | 76.573 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 525 | SER | 0 | -0.002 | -0.010 | 77.671 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 526 | ILE | 0 | 0.033 | 0.001 | 77.667 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 527 | LYS | 1 | 0.969 | 0.969 | 77.729 | -3.969 | -3.969 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 528 | ILE | 0 | 0.036 | 0.040 | 72.325 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 529 | VAL | 0 | 0.051 | 0.020 | 72.931 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 530 | ARG | 1 | 0.823 | 0.897 | 73.435 | -4.013 | -4.013 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 531 | HIS | 0 | -0.063 | -0.020 | 68.242 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 532 | ILE | 0 | 0.069 | 0.021 | 67.833 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 533 | ILE | 0 | -0.021 | -0.005 | 68.940 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 534 | LYS | 1 | 0.945 | 0.967 | 70.397 | -4.299 | -4.299 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 535 | GLU | -1 | -0.835 | -0.899 | 64.530 | 4.971 | 4.971 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 536 | TYR | 0 | -0.020 | -0.017 | 64.496 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 537 | ALA | 0 | -0.046 | -0.027 | 66.141 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 538 | GLU | -1 | -0.953 | -0.982 | 65.661 | 4.833 | 4.833 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 539 | ASN | 0 | -0.040 | -0.024 | 61.714 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 540 | ILE | 0 | -0.024 | 0.003 | 62.077 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 541 | GLY | 0 | -0.036 | -0.034 | 61.801 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 542 | ASP | -1 | -0.793 | -0.883 | 56.603 | 5.548 | 5.548 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 543 | GLY | 0 | 0.030 | 0.022 | 56.034 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 544 | ARG | 1 | 0.779 | 0.855 | 56.717 | -5.307 | -5.307 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 545 | SER | 0 | 0.044 | 0.020 | 60.203 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 546 | PRO | 0 | 0.097 | 0.030 | 61.722 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 547 | GLU | -1 | -0.907 | -0.938 | 64.438 | 4.606 | 4.606 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 548 | PHE | 0 | -0.032 | -0.027 | 64.412 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 549 | ARG | 1 | 0.842 | 0.916 | 60.710 | -5.259 | -5.259 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 550 | GLU | -1 | -0.910 | -0.952 | 66.065 | 4.573 | 4.573 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 551 | ASN | 0 | -0.087 | -0.052 | 69.456 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 552 | GLU | -1 | -0.715 | -0.825 | 67.164 | 4.612 | 4.612 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 553 | GLN | 0 | 0.038 | 0.029 | 66.866 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 554 | LYS | 1 | 0.934 | 0.969 | 70.678 | -4.223 | -4.223 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 555 | ARG | 1 | 0.774 | 0.865 | 70.231 | -4.573 | -4.573 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 556 | ILE | 0 | -0.003 | -0.009 | 68.819 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 557 | LEU | 0 | 0.017 | 0.005 | 72.658 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 558 | GLY | 0 | 0.011 | 0.015 | 75.225 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 559 | LEU | 0 | -0.039 | -0.007 | 74.477 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 560 | LEU | 0 | -0.030 | -0.014 | 75.350 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 561 | GLU | -1 | -0.928 | -0.955 | 79.193 | 3.880 | 3.880 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 562 | ASN | 0 | -0.034 | -0.026 | 82.366 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 563 | PHE | 0 | -0.070 | -0.020 | 78.052 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |