FMODB ID: 63QNZ
Calculation Name: 3BLC-A-Xray308
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3BLC
Chain ID: A
UniProt ID: P25714
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200116 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 284 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -3713443.573708 |
---|---|
FMO2-HF: Nuclear repulsion | 3607307.165482 |
FMO2-HF: Total energy | -106136.408226 |
FMO2-MP2: Total energy | -106450.982458 |
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:56:ACE )
Summations of interaction energy for
fragment #1(A:56:ACE )
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. |
0.648 | 2.073 | 0.202 | -0.676 | -0.952 | -0.002 |
Interaction energy analysis for fragmet #1(A:56:ACE )
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 | 58 | GLY | 0 | -0.004 | -0.003 | 3.841 | 1.027 | 1.913 | -0.005 | -0.377 | -0.504 | -0.001 |
4 | A | 59 | LYS | 1 | 0.923 | 0.973 | 6.346 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 60 | LEU | 0 | 0.031 | 0.016 | 9.866 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 61 | ILE | 0 | -0.029 | 0.007 | 12.510 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 62 | SER | 0 | 0.013 | -0.004 | 15.715 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 63 | VAL | 0 | -0.006 | -0.014 | 18.872 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 64 | LYS | 1 | 0.951 | 0.982 | 21.455 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 65 | THR | 0 | 0.015 | 0.000 | 25.002 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 66 | ASP | -1 | -0.820 | -0.915 | 28.307 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 67 | VAL | 0 | -0.016 | -0.008 | 29.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 68 | LEU | 0 | -0.023 | -0.009 | 24.782 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 69 | ASP | -1 | -0.880 | -0.931 | 23.384 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 70 | LEU | 0 | -0.015 | -0.020 | 19.461 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 71 | THR | 0 | -0.013 | -0.001 | 14.481 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 72 | ILE | 0 | -0.022 | -0.008 | 13.473 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 73 | ASN | 0 | 0.022 | 0.015 | 6.842 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 74 | THR | 0 | 0.022 | 0.036 | 8.380 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 75 | ARG | 1 | 0.827 | 0.905 | 3.169 | -0.732 | -0.193 | 0.207 | -0.299 | -0.448 | -0.001 |
21 | A | 76 | GLY | 0 | -0.006 | 0.008 | 7.151 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 77 | GLY | 0 | 0.034 | -0.011 | 9.862 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 78 | ASP | -1 | -0.805 | -0.886 | 11.409 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 79 | VAL | 0 | 0.015 | -0.003 | 13.180 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 80 | GLU | -1 | -0.903 | -0.966 | 10.223 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 81 | GLN | 0 | 0.002 | 0.013 | 14.925 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 82 | ALA | 0 | -0.029 | -0.011 | 18.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 83 | LEU | 0 | -0.005 | 0.007 | 21.804 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 84 | LEU | 0 | 0.011 | -0.012 | 24.850 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 85 | PRO | 0 | 0.011 | 0.000 | 27.723 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 86 | ALA | 0 | -0.039 | 0.000 | 30.666 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 87 | TYR | 0 | -0.022 | -0.021 | 31.939 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 88 | PRO | 0 | 0.024 | 0.028 | 32.030 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 89 | LYS | 1 | 0.917 | 0.948 | 26.130 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 90 | GLU | -1 | -0.881 | -0.954 | 31.479 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 91 | LEU | 0 | -0.011 | -0.019 | 34.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 92 | ASN | 0 | -0.013 | -0.016 | 38.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 93 | SER | 0 | -0.025 | 0.019 | 32.647 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 94 | THR | 0 | 0.006 | -0.003 | 32.944 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 95 | GLN | 0 | -0.039 | -0.021 | 27.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 96 | PRO | 0 | 0.058 | 0.050 | 27.190 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 97 | PHE | 0 | -0.020 | -0.012 | 28.285 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 98 | GLN | 0 | -0.023 | -0.011 | 21.666 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 99 | LEU | 0 | -0.032 | 0.004 | 24.576 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 100 | LEU | 0 | -0.027 | 0.000 | 19.323 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 101 | GLU | -1 | -0.859 | -0.940 | 19.170 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 102 | THR | 0 | 0.010 | -0.023 | 12.754 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 103 | SER | 0 | -0.025 | -0.012 | 16.259 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 104 | PRO | 0 | -0.028 | -0.029 | 16.703 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 105 | GLN | 0 | -0.041 | -0.024 | 17.701 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 106 | PHE | 0 | 0.006 | 0.019 | 19.700 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 107 | ILE | 0 | -0.014 | -0.003 | 15.090 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 108 | TYR | 0 | 0.025 | -0.002 | 18.167 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 109 | GLN | 0 | 0.000 | -0.005 | 12.402 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 110 | ALA | 0 | 0.047 | 0.032 | 17.276 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 111 | GLN | 0 | -0.024 | -0.019 | 12.025 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 112 | SER | 0 | 0.006 | -0.010 | 14.541 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 113 | GLY | 0 | -0.018 | -0.010 | 14.239 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 114 | LEU | 0 | -0.017 | -0.012 | 15.078 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 115 | THR | 0 | 0.028 | 0.003 | 15.561 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 116 | GLY | 0 | 0.030 | 0.009 | 17.363 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 117 | ARG | 1 | 0.936 | 0.949 | 18.856 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 118 | ASP | -1 | -0.766 | -0.867 | 19.121 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 119 | GLY | 0 | -0.026 | 0.011 | 17.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 120 | PRO | 0 | 0.060 | 0.023 | 12.662 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 121 | ASP | -1 | -0.817 | -0.909 | 11.245 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 122 | ASN | 0 | -0.087 | -0.036 | 12.328 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 123 | PRO | 0 | 0.041 | 0.021 | 11.111 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 124 | ALA | 0 | -0.040 | -0.016 | 12.161 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 125 | ASN | 0 | -0.080 | -0.050 | 14.017 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 126 | GLY | 0 | -0.003 | 0.011 | 10.663 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 127 | PRO | 0 | -0.061 | -0.039 | 5.240 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 128 | ARG | 1 | 0.819 | 0.893 | 6.626 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 129 | PRO | 0 | 0.024 | 0.036 | 6.800 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 130 | LEU | 0 | -0.061 | -0.039 | 6.220 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 131 | TYR | 0 | 0.016 | -0.001 | 8.377 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 132 | ASN | 0 | -0.042 | -0.020 | 11.583 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 133 | VAL | 0 | 0.008 | 0.001 | 13.872 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 134 | GLU | -1 | -0.943 | -0.958 | 16.406 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 135 | LYS | 1 | 0.906 | 0.963 | 19.384 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 136 | ASP | -1 | -0.798 | -0.921 | 16.219 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 137 | ALA | 0 | -0.033 | -0.022 | 17.920 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 138 | TYR | 0 | -0.047 | -0.041 | 18.517 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 139 | VAL | 0 | 0.014 | 0.006 | 23.057 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 140 | LEU | 0 | -0.020 | -0.008 | 26.343 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 141 | ALA | 0 | -0.010 | 0.005 | 29.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 142 | GLU | -1 | -0.909 | -0.971 | 31.868 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 143 | GLY | 0 | -0.009 | 0.001 | 35.496 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 144 | GLN | 0 | -0.029 | -0.008 | 32.366 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 145 | ASN | 0 | 0.032 | -0.011 | 33.827 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 146 | GLU | -1 | -0.907 | -0.935 | 29.371 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 147 | LEU | 0 | -0.042 | -0.015 | 24.155 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 148 | GLN | 0 | -0.034 | -0.029 | 24.865 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 149 | VAL | 0 | -0.019 | -0.016 | 18.656 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 150 | PRO | 0 | 0.017 | 0.020 | 19.781 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 151 | MET | 0 | -0.038 | -0.013 | 14.094 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 152 | THR | 0 | 0.016 | 0.010 | 16.378 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 153 | TYR | 0 | 0.009 | 0.006 | 10.763 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 154 | THR | 0 | -0.055 | -0.026 | 14.434 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 155 | ASP | -1 | -0.850 | -0.920 | 14.645 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 156 | ALA | 0 | -0.038 | -0.010 | 14.613 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 157 | ALA | 0 | 0.004 | -0.014 | 16.375 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 158 | GLY | 0 | -0.008 | 0.002 | 19.056 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 159 | ASN | 0 | 0.019 | 0.013 | 19.252 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 160 | THR | 0 | -0.004 | 0.004 | 18.412 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 161 | PHE | 0 | -0.015 | -0.020 | 16.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 162 | THR | 0 | 0.000 | -0.014 | 17.055 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 163 | LYS | 1 | 0.874 | 0.961 | 14.530 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 164 | THR | 0 | 0.005 | -0.011 | 18.233 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 165 | PHE | 0 | -0.018 | 0.004 | 16.195 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 166 | VAL | 0 | -0.006 | -0.005 | 21.632 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 167 | LEU | 0 | 0.003 | 0.007 | 22.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 168 | LYS | 1 | 0.989 | 0.984 | 26.888 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 169 | ARG | 1 | 0.888 | 0.941 | 30.542 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 170 | GLY | 0 | -0.021 | -0.008 | 32.478 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 171 | ASP | -1 | -0.954 | -0.971 | 30.772 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 172 | TYR | 0 | -0.005 | -0.013 | 28.664 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 173 | ALA | 0 | -0.020 | -0.002 | 27.722 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 174 | VAL | 0 | -0.026 | -0.011 | 22.365 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 175 | ASN | 0 | 0.001 | 0.015 | 24.746 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 176 | VAL | 0 | -0.023 | -0.014 | 19.111 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 177 | ASN | 0 | 0.022 | 0.004 | 22.132 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 178 | TYR | 0 | 0.016 | 0.022 | 16.119 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 179 | ASN | 0 | 0.043 | 0.018 | 21.191 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 180 | VAL | 0 | -0.032 | -0.014 | 20.083 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 181 | GLN | 0 | -0.012 | -0.014 | 22.169 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 182 | ASN | 0 | -0.049 | -0.032 | 22.882 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 183 | ALA | 0 | 0.020 | 0.018 | 23.979 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 184 | GLY | 0 | 0.015 | 0.022 | 25.298 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 185 | GLU | -1 | -0.908 | -0.968 | 26.099 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 186 | LYS | 1 | 0.879 | 0.928 | 26.915 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 187 | PRO | 0 | -0.013 | -0.006 | 26.682 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 188 | LEU | 0 | 0.000 | 0.022 | 21.279 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 189 | GLU | -1 | -0.956 | -0.989 | 23.495 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 190 | ILE | 0 | -0.008 | -0.005 | 19.999 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 191 | SER | 0 | -0.013 | -0.005 | 20.865 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 192 | SER | 0 | -0.003 | 0.010 | 19.554 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 193 | PHE | 0 | -0.022 | -0.021 | 13.774 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 194 | GLY | 0 | 0.038 | 0.023 | 18.713 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 195 | GLN | 0 | -0.026 | 0.019 | 16.231 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 196 | LEU | 0 | -0.011 | 0.012 | 18.630 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 197 | LYS | 1 | 0.918 | 0.965 | 12.487 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 198 | GLN | 0 | 0.068 | 0.020 | 19.208 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 199 | SER | 0 | 0.018 | 0.027 | 20.093 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 200 | ILE | 0 | 0.038 | 0.025 | 21.703 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 201 | THR | 0 | -0.022 | -0.004 | 24.775 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 202 | LEU | 0 | 0.015 | 0.013 | 24.682 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 203 | PRO | 0 | 0.036 | 0.016 | 24.673 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 204 | PRO | 0 | -0.003 | -0.018 | 26.234 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 205 | HIS | 0 | -0.045 | -0.006 | 29.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 206 | LEU | 0 | 0.021 | 0.007 | 30.798 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 207 | NME | 0 | -0.009 | 0.012 | 32.729 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 216 | ACE | 0 | 0.006 | -0.007 | 39.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 217 | THR | 0 | -0.038 | -0.032 | 33.746 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 218 | PHE | 0 | 0.007 | 0.037 | 34.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 219 | ARG | 1 | 0.818 | 0.862 | 25.670 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 220 | GLY | 0 | 0.009 | 0.016 | 29.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 221 | ALA | 0 | -0.026 | -0.010 | 27.270 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 222 | ALA | 0 | 0.035 | 0.022 | 28.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 223 | TYR | 0 | -0.014 | -0.022 | 29.542 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 224 | SER | 0 | -0.018 | 0.008 | 31.604 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 225 | THR | 0 | 0.003 | -0.017 | 33.026 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 226 | PRO | 0 | -0.015 | -0.015 | 35.420 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 227 | ASP | -1 | -0.903 | -0.938 | 38.321 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 228 | ALA | 0 | -0.054 | -0.009 | 36.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 229 | ALA | 0 | 0.023 | 0.013 | 37.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 230 | TYR | 0 | -0.005 | 0.004 | 37.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 231 | ALA | 0 | -0.005 | 0.001 | 34.632 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 232 | ALA | 0 | 0.023 | -0.001 | 33.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 233 | TYR | 0 | -0.022 | 0.002 | 30.084 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 234 | ALA | 0 | 0.051 | 0.024 | 30.789 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 235 | PHE | 0 | -0.008 | -0.036 | 26.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 236 | ASP | -1 | -0.855 | -0.929 | 28.319 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 237 | THR | 0 | 0.019 | 0.029 | 30.737 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 238 | ILE | 0 | -0.040 | -0.011 | 24.954 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 239 | ALA | 0 | -0.059 | -0.039 | 26.440 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 240 | ASP | -1 | -0.902 | -0.941 | 27.488 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 241 | ASN | 0 | -0.147 | -0.082 | 26.531 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 242 | GLU | -1 | -0.920 | -0.937 | 28.764 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 243 | ASN | 0 | 0.006 | 0.001 | 26.460 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 244 | LEU | 0 | 0.012 | 0.028 | 28.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 245 | ASN | 0 | 0.007 | -0.008 | 28.047 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 246 | ILE | 0 | 0.015 | 0.017 | 29.665 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 247 | SER | 0 | -0.008 | -0.008 | 30.209 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 248 | SER | 0 | -0.007 | -0.011 | 31.157 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 249 | LYS | 1 | 0.963 | 0.994 | 31.617 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 250 | GLY | 0 | 0.045 | 0.028 | 32.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 251 | GLY | 0 | 0.036 | 0.017 | 31.687 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 252 | TRP | 0 | -0.030 | -0.015 | 29.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 253 | VAL | 0 | 0.015 | 0.007 | 24.867 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 254 | ALA | 0 | 0.030 | -0.002 | 26.774 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 255 | MET | 0 | -0.071 | -0.011 | 22.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 256 | LEU | 0 | 0.005 | 0.006 | 27.035 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 257 | GLN | 0 | 0.047 | 0.017 | 27.626 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 258 | GLN | 0 | 0.050 | 0.028 | 31.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 259 | TYR | 0 | -0.018 | -0.005 | 33.331 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 260 | PHE | 0 | -0.012 | 0.011 | 29.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 261 | ALA | 0 | 0.026 | 0.009 | 28.911 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 262 | THR | 0 | -0.007 | 0.008 | 23.338 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 263 | ALA | 0 | 0.028 | -0.009 | 25.726 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 264 | TRP | 0 | -0.023 | -0.005 | 18.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 265 | ILE | 0 | 0.000 | -0.014 | 24.975 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 266 | PRO | 0 | -0.039 | -0.011 | 25.838 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 267 | HIS | 0 | -0.015 | -0.014 | 27.015 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 268 | ASN | 0 | -0.068 | -0.045 | 27.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 269 | ASP | -1 | -0.860 | -0.927 | 30.301 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 270 | GLY | 0 | -0.080 | -0.034 | 31.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 271 | THR | 0 | -0.049 | -0.038 | 31.460 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 272 | ASN | 0 | -0.016 | -0.013 | 27.411 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 273 | ASN | 0 | -0.054 | -0.021 | 25.817 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 274 | PHE | 0 | -0.011 | -0.004 | 25.893 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 275 | TYR | 0 | -0.052 | -0.063 | 19.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 276 | THR | 0 | 0.011 | -0.021 | 24.717 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 277 | ALA | 0 | -0.023 | -0.023 | 21.164 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 278 | ASN | 0 | 0.033 | 0.024 | 22.518 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 279 | LEU | 0 | -0.083 | -0.044 | 16.146 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 280 | GLY | 0 | 0.041 | 0.028 | 18.236 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 281 | ASN | 0 | -0.032 | -0.038 | 18.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 282 | GLY | 0 | 0.034 | 0.020 | 20.024 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 283 | ILE | 0 | -0.059 | -0.016 | 17.188 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 284 | ALA | 0 | 0.064 | 0.041 | 20.400 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 285 | ALA | 0 | 0.003 | -0.025 | 19.586 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 286 | ILE | 0 | 0.028 | 0.022 | 21.634 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 287 | GLY | 0 | 0.017 | 0.009 | 21.865 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 288 | TYR | 0 | 0.011 | 0.007 | 22.489 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 289 | LYS | 1 | 0.972 | 0.982 | 20.753 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 290 | SER | 0 | 0.027 | 0.013 | 23.150 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 291 | GLN | 0 | 0.004 | 0.003 | 24.817 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 292 | PRO | 0 | -0.038 | -0.023 | 25.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 293 | VAL | 0 | 0.011 | 0.017 | 25.482 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 294 | LEU | 0 | -0.012 | -0.013 | 25.932 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 295 | VAL | 0 | -0.020 | -0.003 | 24.304 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 296 | GLN | 0 | 0.029 | -0.005 | 27.070 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 297 | PRO | 0 | 0.042 | 0.019 | 28.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 298 | GLY | 0 | -0.030 | -0.007 | 29.561 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 299 | GLN | 0 | -0.006 | 0.018 | 28.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 300 | THR | 0 | 0.017 | -0.019 | 26.195 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 301 | GLY | 0 | -0.053 | -0.013 | 25.559 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 302 | ALA | 0 | 0.049 | 0.030 | 24.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 303 | MET | 0 | -0.056 | -0.023 | 22.302 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 304 | ASN | 0 | 0.059 | 0.026 | 23.135 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 305 | SER | 0 | -0.026 | 0.002 | 22.668 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 306 | THR | 0 | 0.018 | 0.006 | 24.823 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 307 | LEU | 0 | -0.011 | -0.002 | 20.573 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 308 | TRP | 0 | -0.044 | -0.010 | 24.429 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 309 | VAL | 0 | 0.033 | 0.005 | 23.048 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 310 | GLY | 0 | 0.053 | 0.013 | 25.913 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 311 | PRO | 0 | 0.002 | -0.002 | 29.087 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 312 | GLU | -1 | -0.897 | -0.956 | 32.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 313 | ILE | 0 | -0.017 | -0.007 | 34.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 314 | GLN | 0 | 0.043 | 0.000 | 36.159 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 315 | ASP | -1 | -0.884 | -0.933 | 37.833 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 316 | LYS | 1 | 0.896 | 0.939 | 35.320 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 317 | MET | 0 | 0.018 | 0.028 | 30.924 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 318 | ALA | 0 | 0.021 | 0.005 | 34.242 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 319 | ALA | 0 | -0.071 | -0.020 | 36.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 320 | VAL | 0 | -0.033 | -0.019 | 30.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 321 | ALA | 0 | -0.023 | -0.017 | 32.202 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 322 | PRO | 0 | 0.040 | 0.014 | 34.150 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 323 | HIS | 1 | 0.785 | 0.875 | 37.045 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 324 | LEU | 0 | 0.017 | 0.032 | 33.124 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 325 | ASP | -1 | -0.829 | -0.929 | 36.979 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 326 | LEU | 0 | 0.028 | 0.006 | 33.583 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 327 | THR | 0 | -0.014 | 0.009 | 37.484 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 328 | VAL | 0 | -0.035 | -0.019 | 40.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 329 | ASP | -1 | -0.827 | -0.921 | 35.424 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 330 | TYR | 0 | -0.058 | -0.059 | 33.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 331 | GLY | 0 | -0.004 | 0.012 | 38.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 332 | TRP | 0 | 0.027 | 0.007 | 36.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 333 | LEU | 0 | 0.015 | -0.003 | 33.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 334 | TRP | 0 | -0.049 | -0.010 | 37.013 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 335 | PHE | 0 | -0.053 | -0.025 | 39.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 336 | ILE | 0 | -0.018 | -0.012 | 36.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 337 | SER | 0 | -0.044 | -0.008 | 36.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 338 | GLN | 0 | -0.043 | -0.018 | 37.777 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 339 | PRO | 0 | 0.008 | 0.005 | 40.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 340 | LEU | 0 | 0.017 | 0.015 | 42.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 341 | LEU | 0 | -0.002 | -0.011 | 45.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 342 | VAL | 0 | -0.009 | -0.001 | 48.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 343 | PRO | 0 | -0.023 | -0.007 | 51.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 344 | ARG | 1 | 0.959 | 0.981 | 54.338 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 345 | GLY | 0 | 0.018 | 0.004 | 57.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 346 | SER | 0 | -0.015 | -0.019 | 60.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 347 | NME | 0 | 0.017 | 0.026 | 62.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |