FMODB ID: RY138
Calculation Name: 2HE7-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2HE7
Chain ID: A
UniProt ID: Q9Y2J2
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 | 283 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4071671.4083 |
---|---|
FMO2-HF: Nuclear repulsion | 3955185.949904 |
FMO2-HF: Total energy | -116485.458397 |
FMO2-MP2: Total energy | -116823.078221 |
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:108:LYS)
Summations of interaction energy for
fragment #1(A:108:LYS)
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. |
40.574 | 45.256 | 0.104 | -1.88 | -2.906 | 0.003 |
Interaction energy analysis for fragmet #1(A:108:LYS)
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 | 110 | MET | 0 | -0.027 | 0.006 | 3.747 | 5.220 | 7.052 | -0.011 | -0.914 | -0.908 | 0.001 |
4 | A | 111 | GLN | 0 | 0.115 | 0.072 | 7.289 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 112 | CYS | 0 | -0.130 | -0.064 | 9.832 | 1.474 | 1.474 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 113 | LYS | 1 | 0.815 | 0.892 | 12.452 | 16.539 | 16.539 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 114 | VAL | 0 | -0.015 | -0.027 | 16.116 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 115 | ILE | 0 | 0.034 | 0.028 | 18.957 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 116 | LEU | 0 | -0.023 | -0.014 | 20.866 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 117 | LEU | 0 | -0.015 | -0.016 | 24.528 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 118 | ASP | -1 | -0.760 | -0.847 | 26.522 | -11.471 | -11.471 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 119 | GLY | 0 | -0.027 | -0.003 | 27.874 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 120 | SER | 0 | -0.074 | -0.049 | 24.243 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 121 | GLU | -1 | -0.836 | -0.936 | 19.177 | -15.112 | -15.112 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 122 | TYR | 0 | 0.010 | 0.013 | 14.363 | -1.165 | -1.165 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 123 | THR | 0 | 0.010 | -0.011 | 13.691 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 124 | CYS | 0 | -0.039 | 0.010 | 10.996 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 125 | ASP | -1 | -0.771 | -0.880 | 6.219 | -35.522 | -35.522 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 126 | VAL | 0 | -0.013 | 0.001 | 6.824 | -1.643 | -1.643 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 127 | GLU | -1 | -0.746 | -0.852 | 3.352 | -44.569 | -43.377 | 0.035 | -0.371 | -0.855 | -0.002 |
21 | A | 128 | LYS | 1 | 0.897 | 0.943 | 3.344 | 31.805 | 33.303 | 0.081 | -0.588 | -0.991 | 0.004 |
22 | A | 129 | ARG | 1 | 0.790 | 0.853 | 4.267 | 39.091 | 39.251 | -0.001 | -0.007 | -0.152 | 0.000 |
23 | A | 130 | SER | 0 | 0.008 | -0.005 | 7.810 | 1.353 | 1.353 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 131 | ARG | 1 | 0.883 | 0.931 | 10.125 | 19.584 | 19.584 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 132 | GLY | 0 | 0.028 | 0.004 | 13.716 | -0.829 | -0.829 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 133 | GLN | 0 | -0.004 | -0.022 | 15.886 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 134 | VAL | 0 | -0.028 | -0.001 | 9.998 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 135 | LEU | 0 | 0.010 | 0.006 | 12.557 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 136 | PHE | 0 | 0.007 | 0.000 | 13.993 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 137 | ASP | -1 | -0.747 | -0.856 | 16.003 | -16.005 | -16.005 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 138 | LYS | 1 | 0.829 | 0.892 | 10.755 | 24.540 | 24.540 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 139 | VAL | 0 | 0.002 | 0.012 | 15.099 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 140 | CYS | 0 | -0.023 | -0.015 | 18.010 | 0.848 | 0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 141 | GLU | -1 | -0.845 | -0.897 | 15.016 | -20.978 | -20.978 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 142 | HIS | 0 | -0.002 | 0.001 | 17.714 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 143 | LEU | 0 | -0.028 | -0.008 | 19.456 | 0.520 | 0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 144 | ASN | 0 | -0.058 | -0.012 | 22.120 | 0.770 | 0.770 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 145 | LEU | 0 | 0.007 | 0.018 | 23.430 | 0.549 | 0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 146 | LEU | 0 | 0.001 | 0.004 | 24.079 | -0.611 | -0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 147 | GLU | -1 | -0.758 | -0.825 | 26.104 | -9.944 | -9.944 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 148 | LYS | 1 | 0.860 | 0.901 | 20.402 | 15.193 | 15.193 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 149 | ASP | -1 | -0.915 | -0.969 | 25.318 | -12.254 | -12.254 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 150 | TYR | 0 | 0.006 | 0.008 | 26.953 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 151 | PHE | 0 | -0.001 | 0.012 | 25.527 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 152 | GLY | 0 | -0.003 | -0.014 | 23.267 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 153 | LEU | 0 | -0.002 | 0.021 | 17.568 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 154 | THR | 0 | -0.039 | -0.012 | 21.675 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 155 | TYR | 0 | 0.020 | 0.003 | 20.000 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 156 | ARG | 1 | 0.912 | 0.945 | 21.734 | 10.972 | 10.972 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 157 | ASP | -1 | -0.770 | -0.869 | 21.524 | -11.336 | -11.336 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 158 | ALA | 0 | 0.012 | -0.012 | 22.662 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 159 | GLU | -1 | -0.777 | -0.826 | 24.126 | -9.122 | -9.122 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 160 | ASN | 0 | 0.024 | 0.013 | 26.171 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 161 | GLN | 0 | -0.027 | -0.013 | 27.096 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 162 | LYS | 1 | 0.958 | 0.967 | 26.133 | 10.458 | 10.458 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 163 | ASN | 0 | -0.070 | -0.028 | 23.452 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 164 | TRP | 0 | 0.080 | 0.039 | 24.076 | -0.480 | -0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 165 | LEU | 0 | -0.035 | -0.014 | 16.113 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 166 | ASP | -1 | -0.789 | -0.889 | 20.638 | -12.779 | -12.779 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 167 | PRO | 0 | 0.081 | 0.054 | 18.588 | -0.779 | -0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 168 | ALA | 0 | 0.061 | 0.033 | 17.888 | -1.004 | -1.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 169 | LYS | 1 | 0.771 | 0.879 | 17.373 | 13.046 | 13.046 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 170 | GLU | -1 | -0.777 | -0.871 | 12.136 | -18.866 | -18.866 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 171 | ILE | 0 | 0.092 | 0.050 | 11.464 | 1.359 | 1.359 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 172 | LYS | 1 | 0.942 | 0.971 | 9.003 | 21.495 | 21.495 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 173 | LYS | 1 | 0.749 | 0.860 | 12.319 | 17.222 | 17.222 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 174 | GLN | 0 | -0.042 | -0.015 | 15.717 | 1.712 | 1.712 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 175 | VAL | 0 | 0.042 | 0.025 | 14.967 | 0.864 | 0.864 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 176 | ARG | 1 | 0.890 | 0.937 | 14.612 | 14.012 | 14.012 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 177 | SER | 0 | 0.035 | 0.034 | 15.184 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 178 | GLY | 0 | 0.033 | -0.002 | 12.140 | -0.519 | -0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 179 | ALA | 0 | 0.018 | 0.010 | 12.487 | -0.930 | -0.930 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 180 | TRP | 0 | -0.066 | -0.042 | 9.105 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 181 | HIS | 0 | 0.051 | 0.028 | 14.484 | -1.249 | -1.249 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 182 | PHE | 0 | -0.051 | -0.040 | 14.678 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 183 | SER | 0 | -0.008 | 0.006 | 19.951 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 184 | PHE | 0 | 0.034 | 0.010 | 21.861 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 185 | ASN | 0 | -0.035 | -0.027 | 23.610 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 186 | VAL | 0 | 0.049 | 0.033 | 26.908 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 187 | LYS | 1 | 0.740 | 0.871 | 25.972 | 11.394 | 11.394 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 188 | PHE | 0 | -0.076 | -0.042 | 28.231 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 189 | TYR | 0 | 0.008 | -0.010 | 32.419 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 190 | PRO | 0 | 0.042 | 0.032 | 34.238 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 191 | PRO | 0 | -0.024 | -0.027 | 36.948 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 192 | ASP | -1 | -0.775 | -0.869 | 39.959 | -7.264 | -7.264 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 193 | PRO | 0 | 0.021 | 0.010 | 37.707 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 194 | ALA | 0 | 0.027 | 0.023 | 38.467 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 195 | GLN | 0 | -0.094 | -0.060 | 39.764 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 196 | LEU | 0 | -0.090 | -0.017 | 33.523 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 197 | SER | 0 | -0.010 | -0.033 | 32.820 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 198 | GLU | -1 | -0.876 | -0.955 | 28.941 | -10.997 | -10.997 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 199 | ASP | -1 | -0.808 | -0.897 | 33.399 | -8.619 | -8.619 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 200 | ILE | 0 | 0.020 | 0.020 | 28.198 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 201 | THR | 0 | -0.026 | -0.041 | 30.175 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 202 | ARG | 1 | 0.785 | 0.872 | 31.324 | 8.613 | 8.613 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 203 | TYR | 0 | 0.041 | 0.022 | 31.263 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 204 | TYR | 0 | -0.002 | -0.034 | 25.890 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 205 | LEU | 0 | -0.029 | -0.018 | 30.785 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 206 | CYS | 0 | -0.018 | -0.013 | 33.303 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 207 | LEU | 0 | -0.018 | 0.005 | 29.861 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 208 | GLN | 0 | -0.024 | -0.011 | 30.248 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 209 | LEU | 0 | -0.021 | -0.015 | 32.762 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 210 | ARG | 1 | 0.855 | 0.916 | 35.798 | 8.798 | 8.798 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 211 | ASP | -1 | -0.754 | -0.849 | 32.807 | -9.155 | -9.155 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 212 | ASP | -1 | -0.771 | -0.836 | 34.685 | -8.906 | -8.906 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 213 | ILE | 0 | -0.005 | 0.000 | 36.784 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 214 | VAL | 0 | -0.012 | 0.001 | 37.952 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 215 | SER | 0 | -0.055 | -0.061 | 35.961 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 216 | GLY | 0 | -0.015 | -0.013 | 38.082 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 217 | ARG | 1 | 0.656 | 0.805 | 32.949 | 9.212 | 9.212 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 218 | LEU | 0 | -0.038 | -0.011 | 38.990 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 219 | PRO | 0 | -0.004 | -0.006 | 41.191 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 220 | CYS | 0 | -0.034 | -0.013 | 44.802 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 221 | SER | 0 | 0.002 | -0.004 | 47.381 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 222 | PHE | 0 | 0.070 | 0.027 | 49.866 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 223 | VAL | 0 | 0.040 | 0.020 | 51.153 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 224 | THR | 0 | 0.000 | 0.005 | 47.081 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 225 | LEU | 0 | 0.023 | 0.007 | 45.179 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 226 | ALA | 0 | 0.057 | 0.030 | 46.776 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 227 | LEU | 0 | -0.030 | 0.003 | 48.614 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 228 | LEU | 0 | -0.016 | -0.004 | 43.294 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 229 | GLY | 0 | 0.055 | 0.014 | 43.775 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 230 | SER | 0 | 0.005 | -0.002 | 44.689 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 231 | TYR | 0 | -0.032 | -0.027 | 43.927 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 232 | THR | 0 | -0.025 | -0.011 | 39.626 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 233 | VAL | 0 | 0.010 | 0.006 | 41.368 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 234 | GLN | 0 | -0.031 | -0.043 | 43.512 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 235 | SER | 0 | -0.138 | -0.089 | 38.612 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 236 | GLU | -1 | -0.791 | -0.871 | 36.345 | -8.924 | -8.924 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 237 | LEU | 0 | -0.014 | -0.013 | 39.543 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 238 | GLY | 0 | 0.004 | 0.035 | 42.587 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 239 | ASP | -1 | -0.761 | -0.873 | 44.541 | -6.454 | -6.454 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 240 | TYR | 0 | -0.066 | -0.039 | 48.368 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 241 | ASP | -1 | -0.816 | -0.932 | 50.731 | -5.928 | -5.928 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 242 | PRO | 0 | -0.032 | -0.028 | 52.155 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 243 | ASP | -1 | -0.927 | -0.951 | 53.547 | -5.799 | -5.799 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 244 | GLU | -1 | -0.972 | -0.979 | 47.528 | -6.890 | -6.890 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 245 | CYS | 0 | -0.087 | -0.008 | 48.925 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 246 | GLY | 0 | 0.062 | 0.037 | 50.799 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 247 | SER | 0 | -0.058 | -0.067 | 51.313 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 248 | ASP | -1 | -0.912 | -0.947 | 48.291 | -6.612 | -6.612 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 249 | TYR | 0 | -0.017 | -0.021 | 47.042 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 250 | ILE | 0 | -0.006 | -0.006 | 44.899 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 251 | SER | 0 | -0.027 | -0.025 | 44.913 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 252 | GLU | -1 | -0.971 | -0.972 | 40.522 | -7.807 | -7.807 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 253 | PHE | 0 | -0.060 | -0.024 | 39.821 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 254 | ARG | 1 | 0.894 | 0.943 | 36.537 | 8.300 | 8.300 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 255 | PHE | 0 | 0.041 | 0.011 | 40.936 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 256 | ALA | 0 | -0.008 | -0.010 | 43.483 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 257 | PRO | 0 | -0.050 | -0.013 | 42.057 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 258 | ASN | 0 | -0.059 | -0.029 | 43.137 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 259 | HIS | 0 | 0.057 | 0.038 | 44.867 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 260 | THR | 0 | -0.046 | -0.050 | 47.901 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 261 | LYS | 1 | 0.964 | 0.976 | 51.477 | 5.766 | 5.766 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 262 | GLU | -1 | -0.799 | -0.872 | 53.585 | -5.825 | -5.825 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 263 | LEU | 0 | -0.015 | -0.005 | 47.347 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 264 | GLU | -1 | -0.816 | -0.893 | 48.138 | -6.679 | -6.679 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 265 | ASP | -1 | -0.865 | -0.945 | 50.649 | -5.778 | -5.778 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 266 | LYS | 1 | 0.743 | 0.852 | 53.121 | 5.722 | 5.722 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 267 | VAL | 0 | -0.011 | -0.002 | 47.015 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 268 | ILE | 0 | 0.024 | 0.018 | 50.257 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 269 | GLU | -1 | -0.876 | -0.917 | 51.882 | -5.615 | -5.615 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 270 | LEU | 0 | -0.007 | -0.013 | 51.367 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 271 | HIS | 0 | 0.032 | 0.032 | 47.213 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 272 | LYS | 1 | 0.927 | 0.981 | 50.342 | 5.796 | 5.796 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 273 | SER | 0 | -0.124 | -0.071 | 52.927 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 274 | HIS | 1 | 0.813 | 0.898 | 47.932 | 6.469 | 6.469 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 275 | ARG | 1 | 0.834 | 0.913 | 50.044 | 6.083 | 6.083 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 276 | GLY | 0 | -0.006 | -0.008 | 49.887 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 277 | MET | 0 | -0.087 | 0.000 | 45.934 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 278 | THR | 0 | 0.023 | 0.015 | 42.878 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 279 | PRO | 0 | 0.065 | 0.024 | 39.244 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 280 | ALA | 0 | 0.080 | 0.047 | 38.864 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 281 | GLU | -1 | -0.837 | -0.916 | 40.046 | -6.750 | -6.750 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 282 | ALA | 0 | 0.018 | 0.001 | 42.749 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 283 | GLU | -1 | -0.824 | -0.909 | 37.239 | -8.473 | -8.473 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 284 | MET | 0 | -0.016 | -0.013 | 40.577 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 285 | HIS | 0 | -0.025 | -0.024 | 42.217 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 286 | PHE | 0 | -0.041 | -0.012 | 38.870 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 287 | LEU | 0 | -0.011 | -0.023 | 37.400 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 288 | GLU | -1 | -0.795 | -0.853 | 41.533 | -6.898 | -6.898 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 289 | ASN | 0 | -0.064 | -0.045 | 44.966 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 290 | ALA | 0 | 0.027 | 0.007 | 41.326 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 291 | LYS | 1 | 0.761 | 0.851 | 42.039 | 7.212 | 7.212 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 292 | LYS | 1 | 0.794 | 0.884 | 43.082 | 6.717 | 6.717 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 293 | LEU | 0 | -0.011 | 0.015 | 43.447 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 294 | SER | 0 | -0.041 | -0.041 | 44.412 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 295 | MET | 0 | -0.029 | -0.007 | 41.699 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 296 | TYR | 0 | 0.006 | -0.005 | 38.548 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 297 | GLY | 0 | 0.043 | 0.002 | 36.381 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 298 | VAL | 0 | -0.129 | -0.054 | 36.881 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 299 | ASP | -1 | -0.777 | -0.876 | 32.975 | -9.305 | -9.305 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 300 | LEU | 0 | -0.024 | -0.027 | 35.768 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 301 | HIS | 0 | -0.071 | -0.051 | 32.250 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 302 | HIS | 0 | 0.023 | 0.011 | 37.306 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 303 | ALA | 0 | -0.062 | -0.041 | 38.770 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 304 | LYS | 1 | 0.803 | 0.896 | 41.335 | 6.607 | 6.607 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 305 | ASP | -1 | -0.777 | -0.900 | 44.353 | -6.341 | -6.341 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 306 | SER | 0 | -0.035 | -0.033 | 47.063 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 307 | GLU | -1 | -0.970 | -0.970 | 49.190 | -5.610 | -5.610 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 308 | GLY | 0 | -0.041 | -0.011 | 47.810 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 309 | VAL | 0 | 0.018 | 0.012 | 48.369 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 310 | GLU | -1 | -0.888 | -0.936 | 44.444 | -6.710 | -6.710 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 311 | ILE | 0 | -0.019 | -0.010 | 43.872 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 312 | MET | 0 | -0.028 | -0.017 | 41.444 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 313 | LEU | 0 | -0.016 | -0.003 | 39.784 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 314 | GLY | 0 | 0.026 | 0.011 | 39.587 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 315 | VAL | 0 | -0.044 | -0.030 | 35.402 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 316 | CYS | 0 | 0.088 | 0.077 | 37.044 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 317 | ALA | 0 | 0.082 | 0.038 | 37.875 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 318 | SER | 0 | -0.009 | -0.014 | 38.800 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 319 | GLY | 0 | -0.005 | -0.025 | 41.045 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 320 | LEU | 0 | -0.011 | 0.025 | 39.803 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 321 | LEU | 0 | -0.022 | -0.017 | 42.063 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 322 | ILE | 0 | -0.013 | -0.013 | 43.389 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 323 | TYR | 0 | 0.014 | -0.004 | 43.178 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 324 | ARG | 1 | 0.909 | 0.932 | 46.523 | 5.753 | 5.753 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 325 | ASP | -1 | -0.794 | -0.882 | 49.094 | -5.875 | -5.875 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 326 | ARG | 1 | 0.939 | 0.961 | 47.688 | 6.444 | 6.444 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 327 | LEU | 0 | 0.040 | 0.043 | 49.121 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 328 | ARG | 1 | 0.934 | 0.961 | 46.873 | 6.280 | 6.280 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 329 | ILE | 0 | -0.004 | -0.002 | 49.380 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 330 | ASN | 0 | 0.025 | 0.017 | 48.651 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 331 | ARG | 1 | 0.823 | 0.885 | 44.761 | 6.743 | 6.743 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 332 | PHE | 0 | 0.020 | 0.015 | 45.169 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 333 | ALA | 0 | 0.037 | 0.022 | 44.366 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 334 | TRP | 0 | 0.065 | 0.021 | 38.141 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 335 | PRO | 0 | -0.004 | -0.011 | 42.496 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 336 | LYS | 1 | 0.817 | 0.887 | 45.003 | 6.349 | 6.349 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 337 | VAL | 0 | -0.037 | -0.002 | 41.095 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 338 | LEU | 0 | 0.002 | 0.004 | 42.610 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 339 | LYS | 1 | 0.888 | 0.934 | 39.185 | 7.606 | 7.606 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 340 | ILE | 0 | 0.077 | 0.056 | 36.554 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 341 | SER | 0 | -0.054 | -0.040 | 36.869 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 342 | TYR | 0 | 0.048 | 0.040 | 31.306 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 343 | LYS | 1 | 0.948 | 0.974 | 36.590 | 7.187 | 7.187 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 344 | ARG | 1 | 0.961 | 0.978 | 35.025 | 7.467 | 7.467 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 345 | ASN | 0 | 0.031 | 0.016 | 35.642 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 346 | ASN | 0 | 0.008 | 0.011 | 37.197 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 347 | PHE | 0 | 0.060 | 0.023 | 36.623 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 348 | TYR | 0 | 0.000 | 0.003 | 38.958 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 349 | ILE | 0 | 0.017 | 0.015 | 40.316 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 350 | LYS | 1 | 0.830 | 0.914 | 42.776 | 6.762 | 6.762 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 351 | ILE | 0 | 0.013 | 0.008 | 45.482 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 352 | ARG | 1 | 0.891 | 0.937 | 48.407 | 6.233 | 6.233 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 353 | PRO | 0 | -0.046 | -0.012 | 51.978 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 354 | GLY | 0 | 0.026 | 0.009 | 54.557 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 355 | GLU | -1 | -0.933 | -0.965 | 57.290 | -5.144 | -5.144 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 356 | PHE | 0 | 0.030 | 0.015 | 59.060 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 357 | GLU | -1 | -0.846 | -0.905 | 52.421 | -6.125 | -6.125 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 358 | GLN | 0 | 0.008 | 0.000 | 55.331 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 359 | PHE | 0 | 0.013 | 0.008 | 55.183 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 360 | GLU | -1 | -0.812 | -0.887 | 49.365 | -6.440 | -6.440 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 361 | SER | 0 | 0.003 | 0.004 | 50.512 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 362 | THR | 0 | -0.037 | -0.035 | 44.677 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 363 | ILE | 0 | 0.037 | 0.042 | 46.355 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 364 | GLY | 0 | -0.018 | -0.032 | 43.792 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 365 | PHE | 0 | 0.045 | 0.031 | 41.656 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 366 | LYS | 1 | 0.872 | 0.928 | 40.902 | 6.893 | 6.893 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 367 | LEU | 0 | 0.048 | 0.024 | 35.982 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 368 | PRO | 0 | 0.040 | 0.013 | 35.782 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 369 | ASN | 0 | -0.013 | -0.031 | 32.022 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 370 | HIS | 0 | 0.000 | -0.007 | 30.023 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 371 | ARG | 1 | 0.844 | 0.900 | 27.088 | 9.450 | 9.450 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 372 | ALA | 0 | 0.034 | 0.031 | 30.049 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 373 | ALA | 0 | 0.027 | 0.019 | 32.694 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 374 | LYS | 1 | 0.862 | 0.933 | 28.457 | 9.960 | 9.960 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 375 | ARG | 1 | 0.843 | 0.897 | 26.804 | 9.967 | 9.967 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 376 | LEU | 0 | 0.069 | 0.049 | 30.213 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 377 | TRP | 0 | -0.013 | -0.018 | 29.255 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 378 | LYS | 1 | 0.813 | 0.908 | 25.149 | 11.758 | 11.758 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 379 | VAL | 0 | 0.067 | 0.043 | 30.454 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 380 | CYS | 0 | -0.030 | -0.007 | 31.880 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 381 | VAL | 0 | -0.032 | -0.021 | 32.022 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 382 | GLU | -1 | -0.858 | -0.915 | 27.188 | -11.126 | -11.126 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 383 | HIS | 0 | 0.056 | 0.028 | 31.684 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 384 | HIS | 0 | -0.038 | 0.007 | 34.618 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 385 | THR | 0 | -0.062 | -0.051 | 32.008 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 386 | PHE | 0 | 0.032 | 0.016 | 29.861 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 387 | PHE | 0 | 0.051 | 0.014 | 33.640 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 388 | ARG | 1 | 0.836 | 0.922 | 37.228 | 8.081 | 8.081 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 389 | LEU | 0 | -0.046 | -0.027 | 32.701 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 390 | LEU | 0 | -0.034 | 0.005 | 34.654 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |