FMODB ID: M99LZ
Calculation Name: 4OPF-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4OPF
Chain ID: A
UniProt ID: B2WW42
Base Structure: X-ray
Registration Date: 2023-09-27
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 | 372 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5740838.090472 |
---|---|
FMO2-HF: Nuclear repulsion | 5605533.515846 |
FMO2-HF: Total energy | -135304.574625 |
FMO2-MP2: Total energy | -135703.227166 |
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:6120:PRO)
Summations of interaction energy for
fragment #1(A:6120:PRO)
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. |
-33.352 | -27.973 | 12.297 | -8.123 | -9.554 | 0.028 |
Interaction energy analysis for fragmet #1(A:6120:PRO)
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 | 6122 | ASP | -1 | -0.782 | -0.860 | 3.854 | -3.289 | -1.256 | -0.024 | -0.893 | -1.116 | -0.001 |
4 | A | 6123 | ILE | 0 | -0.018 | 0.005 | 6.274 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6124 | ALA | 0 | 0.008 | 0.018 | 9.374 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6125 | VAL | 0 | -0.001 | -0.014 | 12.645 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 6126 | VAL | 0 | 0.005 | -0.008 | 15.350 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 6127 | GLY | 0 | 0.006 | 0.004 | 18.039 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 6128 | MET | 0 | -0.100 | -0.042 | 19.809 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 6129 | SER | 0 | -0.005 | -0.034 | 22.001 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 6130 | GLY | 0 | 0.013 | -0.006 | 24.488 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 6131 | ARG | 1 | 0.738 | 0.858 | 26.969 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 6132 | PHE | 0 | 0.018 | -0.001 | 25.032 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 6133 | PRO | 0 | 0.052 | 0.025 | 31.006 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 6134 | GLY | 0 | 0.025 | 0.011 | 33.657 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 6135 | ALA | 0 | -0.058 | -0.027 | 31.057 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 6136 | PRO | 0 | 0.047 | 0.017 | 32.139 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 6137 | ASP | -1 | -0.820 | -0.903 | 30.535 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 6138 | LEU | 0 | 0.048 | 0.015 | 23.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 6139 | ASP | -1 | -0.847 | -0.881 | 27.674 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 6140 | ALA | 0 | -0.034 | -0.026 | 29.833 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 6141 | TYR | 0 | -0.024 | -0.026 | 24.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 6142 | TRP | 0 | 0.034 | 0.007 | 24.266 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 6143 | ARG | 1 | 0.829 | 0.919 | 28.195 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 6144 | LEU | 0 | -0.025 | -0.006 | 30.997 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 6145 | LEU | 0 | 0.007 | -0.005 | 25.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 6146 | SER | 0 | -0.044 | -0.051 | 28.631 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 6147 | GLU | -1 | -0.796 | -0.878 | 30.022 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 6148 | GLY | 0 | -0.019 | -0.006 | 32.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 6149 | ARG | 1 | 0.787 | 0.875 | 33.173 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 6150 | SER | 0 | -0.022 | -0.037 | 33.520 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 6151 | ALA | 0 | -0.015 | 0.003 | 34.850 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 6152 | ILE | 0 | -0.064 | -0.018 | 34.986 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 6153 | ALA | 0 | -0.026 | -0.009 | 37.692 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 6169 | GLY | 0 | 0.033 | -0.004 | 35.907 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 6170 | LEU | 0 | -0.010 | -0.006 | 35.360 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 6171 | LEU | 0 | -0.017 | -0.009 | 32.172 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 6172 | ASP | -1 | -0.899 | -0.943 | 36.379 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 6173 | LEU | 0 | -0.077 | -0.049 | 35.240 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 6174 | GLU | -1 | -0.890 | -0.940 | 39.181 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 6175 | GLY | 0 | -0.026 | -0.005 | 40.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 6176 | PHE | 0 | -0.026 | -0.025 | 35.569 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 6177 | ASP | -1 | -0.775 | -0.899 | 39.160 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 6178 | PRO | 0 | -0.006 | -0.013 | 39.564 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 6179 | GLY | 0 | 0.031 | 0.034 | 40.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 6180 | HIS | 0 | -0.036 | -0.030 | 35.853 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 6181 | PHE | 0 | -0.040 | -0.021 | 32.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 6182 | HIS | 0 | -0.038 | -0.017 | 37.034 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 6183 | LEU | 0 | -0.023 | 0.006 | 37.132 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 6184 | SER | 0 | -0.030 | -0.056 | 41.274 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 6185 | ASP | -1 | -0.756 | -0.871 | 43.671 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 6186 | ALA | 0 | -0.015 | -0.001 | 45.368 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 6187 | ASP | -1 | -0.820 | -0.871 | 41.327 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 6188 | ALA | 0 | -0.010 | -0.016 | 40.475 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 6189 | ALA | 0 | -0.017 | -0.004 | 41.293 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 6190 | ALA | 0 | -0.009 | 0.009 | 42.850 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 6191 | MET | 0 | -0.014 | -0.007 | 35.484 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 6192 | ASP | -1 | -0.782 | -0.846 | 34.185 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 6193 | PRO | 0 | 0.070 | 0.025 | 35.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 6194 | GLN | 0 | -0.009 | -0.033 | 31.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 6195 | ALA | 0 | -0.015 | -0.012 | 31.431 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 6196 | LEU | 0 | -0.014 | 0.005 | 32.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 6197 | LEU | 0 | 0.020 | 0.013 | 31.068 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 6198 | LEU | 0 | -0.008 | -0.009 | 26.232 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 6199 | LEU | 0 | -0.025 | 0.016 | 28.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 6200 | GLU | -1 | -0.743 | -0.848 | 30.902 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 6201 | GLU | -1 | -0.750 | -0.857 | 27.390 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 6202 | THR | 0 | -0.019 | -0.027 | 25.144 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 6203 | LEU | 0 | 0.006 | 0.022 | 26.839 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 6204 | PHE | 0 | -0.011 | -0.016 | 29.062 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 6205 | ALA | 0 | -0.002 | 0.004 | 23.313 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 6206 | PHE | 0 | -0.005 | -0.006 | 23.582 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 6207 | CYS | 0 | -0.020 | -0.001 | 25.950 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 6208 | ASP | -1 | -0.727 | -0.840 | 23.326 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 6209 | ALA | 0 | -0.010 | -0.008 | 22.222 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 6210 | GLY | 0 | 0.001 | 0.005 | 23.486 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 6211 | TYR | 0 | -0.125 | -0.072 | 21.513 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 6212 | ALA | 0 | 0.039 | 0.016 | 26.948 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 6213 | PRO | 0 | 0.019 | -0.010 | 29.015 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 6214 | ASP | -1 | -0.893 | -0.955 | 29.548 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 6215 | GLU | -1 | -0.846 | -0.893 | 27.252 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 6216 | LEU | 0 | -0.045 | -0.034 | 23.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 6217 | LYS | 1 | 0.866 | 0.938 | 26.418 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 6218 | GLY | 0 | -0.009 | -0.009 | 28.890 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 6219 | ARG | 1 | 0.805 | 0.903 | 22.357 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 6220 | GLY | 0 | 0.028 | 0.023 | 21.845 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 6221 | ILE | 0 | -0.037 | -0.026 | 20.084 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 6222 | GLY | 0 | 0.048 | 0.028 | 19.323 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 6223 | VAL | 0 | -0.055 | -0.023 | 20.371 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 6224 | TYR | 0 | 0.024 | 0.012 | 17.443 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 6225 | VAL | 0 | 0.005 | -0.001 | 20.382 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 6226 | GLY | 0 | 0.021 | 0.004 | 22.328 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 6227 | GLY | 0 | 0.007 | -0.014 | 23.241 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 6228 | ARG | 1 | 0.855 | 0.899 | 27.080 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 6229 | SER | 0 | -0.019 | -0.019 | 30.388 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 6230 | ARG | 1 | 0.850 | 0.923 | 32.558 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 6249 | GLY | 0 | 0.056 | 0.020 | 34.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 6250 | GLN | 0 | 0.028 | 0.008 | 31.707 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 6251 | ASN | 0 | 0.021 | -0.001 | 26.816 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 6252 | TYR | 0 | -0.015 | -0.036 | 29.002 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 6253 | LEU | 0 | -0.011 | 0.000 | 28.242 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 6254 | ALA | 0 | 0.021 | 0.025 | 24.968 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 6255 | ALA | 0 | 0.018 | 0.001 | 26.746 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 6256 | ASN | 0 | 0.029 | -0.003 | 29.270 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 6257 | LEU | 0 | 0.001 | 0.010 | 25.735 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 6258 | SER | 0 | 0.032 | 0.014 | 25.635 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 6259 | HIS | 0 | -0.028 | -0.003 | 27.981 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 6260 | HIS | 0 | 0.004 | 0.011 | 31.490 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 6261 | PHE | 0 | -0.032 | -0.025 | 27.981 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 6262 | ASP | -1 | -0.772 | -0.858 | 28.865 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 6263 | LEU | 0 | -0.039 | -0.001 | 23.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 6264 | ARG | 1 | 0.795 | 0.874 | 25.257 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 6265 | GLY | 0 | 0.023 | 0.032 | 21.547 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 6266 | PRO | 0 | -0.018 | -0.021 | 19.452 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 6267 | SER | 0 | 0.027 | 0.006 | 21.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 6268 | THR | 0 | -0.060 | -0.025 | 21.246 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 6269 | VAL | 0 | 0.009 | 0.015 | 23.241 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 6270 | VAL | 0 | -0.050 | -0.028 | 20.573 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 6271 | ASP | -1 | -0.746 | -0.851 | 23.971 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 6272 | THR | 0 | -0.051 | -0.046 | 21.900 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 6273 | ALA | 0 | 0.030 | 0.006 | 24.512 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 6274 | CYS | 0 | -0.024 | 0.032 | 23.287 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 6275 | SER | 0 | 0.028 | 0.019 | 19.652 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 6276 | SER | 0 | -0.039 | -0.017 | 19.630 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 6277 | ALA | 0 | 0.074 | 0.026 | 19.985 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 6278 | LEU | 0 | -0.022 | -0.003 | 15.176 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 6279 | VAL | 0 | -0.005 | -0.009 | 15.173 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 6280 | ALA | 0 | 0.004 | 0.009 | 16.412 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 6281 | LEU | 0 | 0.017 | 0.008 | 12.516 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 6282 | HIS | 0 | -0.015 | -0.011 | 11.705 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 6283 | HIS | 0 | 0.005 | -0.010 | 12.238 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 6284 | ALA | 0 | 0.036 | 0.026 | 14.167 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 6285 | ALA | 0 | -0.012 | -0.011 | 8.569 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 6286 | GLN | 0 | -0.071 | -0.039 | 9.360 | 0.707 | 0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 6287 | ALA | 0 | 0.053 | 0.031 | 11.038 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 6288 | LEU | 0 | -0.012 | 0.000 | 10.767 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 6289 | ARG | 1 | 0.816 | 0.909 | 1.985 | -26.300 | -28.170 | 10.669 | -4.416 | -4.384 | 0.056 |
138 | A | 6290 | SER | 0 | -0.073 | -0.066 | 8.708 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 6291 | GLY | 0 | 0.002 | 0.008 | 11.369 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 6292 | ASP | -1 | -0.902 | -0.913 | 13.612 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 6293 | VAL | 0 | -0.054 | -0.033 | 15.540 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 6294 | GLU | -1 | -0.830 | -0.890 | 15.548 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 6295 | ALA | 0 | -0.025 | -0.025 | 16.132 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 6296 | ALA | 0 | -0.020 | -0.010 | 15.498 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 6297 | VAL | 0 | 0.040 | 0.027 | 17.432 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 6298 | VAL | 0 | -0.024 | -0.014 | 15.535 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 6299 | ALA | 0 | 0.016 | 0.003 | 18.951 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 6300 | GLY | 0 | -0.016 | -0.003 | 21.679 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 6301 | VAL | 0 | -0.004 | -0.011 | 23.637 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 6302 | THR | 0 | -0.027 | -0.028 | 27.481 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 6303 | LEU | 0 | 0.025 | 0.020 | 30.437 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 6304 | LEU | 0 | -0.030 | -0.021 | 34.154 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 6305 | PRO | 0 | -0.041 | -0.006 | 36.585 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 6326 | HIS | 0 | -0.018 | 0.004 | 34.737 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 6327 | VAL | 0 | 0.039 | 0.020 | 29.298 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 6328 | PHE | 0 | 0.031 | 0.001 | 25.603 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 6329 | ASP | -1 | -0.759 | -0.850 | 31.595 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 6330 | ARG | 1 | 0.941 | 0.959 | 35.422 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 6331 | ARG | 1 | 0.773 | 0.870 | 38.374 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 6332 | ALA | 0 | -0.070 | -0.023 | 34.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 6333 | ARG | 1 | 0.955 | 0.976 | 36.322 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 6334 | GLY | 0 | 0.002 | 0.017 | 33.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 6335 | PHE | 0 | -0.019 | -0.022 | 30.460 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 6336 | THR | 0 | -0.009 | -0.008 | 34.349 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 6337 | PRO | 0 | -0.015 | -0.007 | 33.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 6338 | ALA | 0 | -0.001 | 0.002 | 32.064 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 6339 | GLU | -1 | -0.801 | -0.885 | 32.358 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 6340 | GLY | 0 | -0.024 | -0.029 | 29.087 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 6341 | VAL | 0 | -0.029 | -0.008 | 27.186 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 6342 | GLY | 0 | 0.020 | 0.004 | 23.844 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 6343 | VAL | 0 | -0.017 | -0.013 | 22.275 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 6344 | LEU | 0 | -0.009 | -0.007 | 16.549 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 6345 | LEU | 0 | 0.005 | 0.011 | 19.038 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 6346 | LEU | 0 | -0.032 | -0.017 | 13.105 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 6347 | LYS | 1 | 0.928 | 0.954 | 14.027 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 6348 | PRO | 0 | 0.055 | 0.028 | 10.204 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 6349 | LEU | 0 | 0.016 | 0.000 | 9.258 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 6350 | ALA | 0 | 0.020 | 0.006 | 10.696 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 6351 | ALA | 0 | 0.022 | 0.007 | 12.499 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 6352 | ALA | 0 | -0.023 | 0.001 | 14.622 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 6353 | GLU | -1 | -0.824 | -0.926 | 13.860 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 6354 | ALA | 0 | -0.008 | 0.004 | 16.350 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 6355 | ALA | 0 | -0.035 | -0.007 | 18.245 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 6356 | GLY | 0 | -0.011 | 0.007 | 20.109 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 6357 | ASP | -1 | -0.764 | -0.863 | 18.939 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 6358 | ARG | 1 | 0.839 | 0.905 | 20.070 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 6359 | VAL | 0 | 0.029 | 0.002 | 14.357 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 6360 | HIS | 0 | -0.045 | -0.022 | 17.406 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 6361 | ALA | 0 | 0.026 | 0.018 | 14.388 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 6362 | VAL | 0 | 0.007 | 0.005 | 8.430 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 6363 | LEU | 0 | 0.002 | 0.008 | 8.063 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 6364 | LYS | 1 | 0.827 | 0.905 | 4.204 | 2.245 | 2.362 | -0.001 | -0.009 | -0.107 | 0.000 |
193 | A | 6365 | GLY | 0 | 0.024 | 0.002 | 3.816 | 0.141 | 0.390 | 0.002 | -0.093 | -0.159 | 0.000 |
194 | A | 6366 | ILE | 0 | -0.020 | 0.001 | 5.864 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 6367 | ALA | 0 | -0.040 | -0.009 | 8.944 | 0.489 | 0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 6368 | VAL | 0 | 0.061 | 0.020 | 11.266 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 6369 | ASN | 0 | -0.089 | -0.045 | 14.666 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 6370 | ASN | 0 | 0.008 | -0.006 | 17.191 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 6371 | ASP | -1 | -0.751 | -0.871 | 20.985 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 6372 | GLY | 0 | -0.002 | 0.013 | 23.308 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 6373 | ARG | 1 | 0.904 | 0.949 | 25.272 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 6374 | THR | 0 | 0.020 | 0.017 | 27.364 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 6375 | ALA | 0 | -0.016 | -0.022 | 29.782 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 6376 | GLY | 0 | 0.019 | 0.006 | 32.166 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 6377 | PRO | 0 | 0.018 | 0.022 | 31.068 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 6378 | ALA | 0 | 0.062 | 0.039 | 30.015 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 6379 | THR | 0 | -0.134 | -0.074 | 30.265 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 6380 | PRO | 0 | 0.047 | 0.019 | 25.525 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 6381 | ASN | 0 | -0.009 | 0.000 | 23.517 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 6382 | PRO | 0 | 0.018 | -0.010 | 22.599 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 6383 | ALA | 0 | -0.030 | -0.003 | 20.969 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 6384 | ALA | 0 | 0.009 | 0.018 | 18.853 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 6385 | GLN | 0 | 0.053 | 0.025 | 17.649 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 6386 | ARG | 1 | 0.969 | 0.994 | 17.290 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 6387 | GLY | 0 | 0.015 | 0.011 | 14.934 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 6388 | VAL | 0 | -0.052 | -0.024 | 13.130 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 6389 | MET | 0 | 0.008 | 0.015 | 12.108 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 6390 | ALA | 0 | 0.059 | 0.034 | 11.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 6391 | ARG | 1 | 0.901 | 0.954 | 6.361 | -1.761 | -1.761 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 6392 | ALA | 0 | -0.005 | -0.009 | 7.381 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 6393 | LEU | 0 | 0.062 | 0.029 | 6.832 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 6394 | ALA | 0 | -0.030 | -0.014 | 5.765 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 6395 | LYS | 1 | 0.754 | 0.871 | 3.050 | -4.125 | -3.001 | 0.083 | -0.378 | -0.830 | -0.002 |
224 | A | 6396 | ALA | 0 | 0.009 | 0.007 | 2.582 | -0.004 | 2.455 | 1.384 | -1.816 | -2.026 | -0.022 |
225 | A | 6397 | GLY | 0 | -0.051 | -0.018 | 2.789 | -2.757 | -1.579 | 0.176 | -0.553 | -0.801 | -0.003 |
226 | A | 6398 | VAL | 0 | -0.034 | -0.013 | 3.589 | 0.111 | 0.200 | 0.008 | 0.035 | -0.131 | 0.000 |
227 | A | 6399 | ALA | 0 | 0.023 | 0.012 | 7.389 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 6400 | ALA | 0 | -0.003 | -0.008 | 10.614 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 6401 | ASP | -1 | -0.781 | -0.882 | 13.238 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 6402 | ASP | -1 | -0.840 | -0.917 | 11.005 | -0.613 | -0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 6403 | VAL | 0 | -0.058 | -0.020 | 11.876 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 6404 | THR | 0 | 0.031 | 0.027 | 14.364 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 6405 | TYR | 0 | 0.019 | -0.004 | 17.259 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 6406 | ILE | 0 | -0.004 | -0.005 | 16.863 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 6407 | GLU | -1 | -0.765 | -0.862 | 18.416 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 6408 | THR | 0 | -0.039 | -0.052 | 19.357 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 6409 | ASN | 0 | 0.035 | 0.012 | 21.853 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 6410 | ALA | 0 | -0.056 | -0.014 | 23.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 6411 | ALA | 0 | 0.011 | 0.000 | 26.595 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 6412 | GLY | 0 | 0.012 | 0.000 | 28.743 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 6413 | SER | 0 | -0.002 | -0.025 | 31.738 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 6414 | GLN | 0 | 0.068 | 0.027 | 31.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 6415 | ILE | 0 | 0.038 | 0.027 | 31.044 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 6416 | PRO | 0 | 0.030 | 0.002 | 28.126 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 6417 | ASP | -1 | -0.740 | -0.863 | 27.035 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 6418 | LEU | 0 | -0.006 | -0.006 | 27.366 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 6419 | ILE | 0 | -0.023 | -0.010 | 24.661 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 6420 | GLU | -1 | -0.732 | -0.866 | 21.447 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 6421 | LEU | 0 | -0.003 | 0.003 | 22.629 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 6422 | LYS | 1 | 0.893 | 0.945 | 23.857 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 6423 | ALA | 0 | -0.062 | -0.027 | 20.328 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 6424 | ILE | 0 | 0.039 | 0.004 | 18.921 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 6425 | ALA | 0 | 0.022 | 0.012 | 19.294 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 6426 | ALA | 0 | -0.020 | -0.011 | 20.599 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 6427 | VAL | 0 | -0.082 | -0.035 | 14.307 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 6428 | TYR | 0 | -0.029 | -0.058 | 13.046 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 6429 | ARG | 1 | 0.754 | 0.869 | 16.580 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 6430 | ASP | -1 | -0.897 | -0.937 | 19.044 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 6431 | GLY | 0 | -0.044 | -0.017 | 19.824 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 6432 | SER | 0 | -0.060 | -0.046 | 19.508 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 6433 | ASP | -1 | -0.887 | -0.948 | 21.901 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 6434 | THR | 0 | -0.055 | -0.037 | 19.064 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 6435 | PRO | 0 | -0.013 | -0.005 | 22.041 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 6436 | CYS | 0 | -0.016 | 0.005 | 18.698 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 6437 | SER | 0 | -0.019 | -0.005 | 21.388 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 6438 | LEU | 0 | 0.007 | 0.005 | 21.667 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 6439 | GLY | 0 | 0.004 | -0.011 | 23.379 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 6440 | SER | 0 | -0.019 | 0.010 | 23.782 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 6441 | VAL | 0 | 0.046 | 0.016 | 24.261 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 6442 | LYS | 1 | 0.842 | 0.932 | 26.004 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 6443 | PRO | 0 | -0.053 | -0.030 | 29.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 6444 | ASN | 0 | -0.009 | 0.003 | 29.863 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 6445 | ILE | 0 | 0.018 | 0.010 | 27.391 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 6446 | GLY | 0 | 0.051 | 0.035 | 31.898 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 6447 | HIS | 0 | -0.002 | -0.020 | 26.937 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 6448 | PRO | 0 | 0.036 | 0.024 | 27.250 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 6449 | GLN | 0 | -0.030 | -0.023 | 28.172 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 6450 | CYS | 0 | -0.031 | 0.010 | 25.321 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 6451 | ALA | 0 | 0.031 | 0.018 | 23.934 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 6452 | GLU | -1 | -0.823 | -0.884 | 23.123 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 6453 | GLY | 0 | 0.063 | 0.019 | 20.093 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 6454 | ILE | 0 | -0.032 | -0.010 | 18.701 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 6455 | ALA | 0 | 0.050 | 0.038 | 20.872 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 6456 | GLY | 0 | 0.039 | 0.029 | 20.759 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 6457 | VAL | 0 | -0.007 | -0.003 | 15.582 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 6458 | ILE | 0 | -0.001 | 0.005 | 17.957 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 6459 | LYS | 1 | 0.842 | 0.911 | 20.570 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 6460 | THR | 0 | 0.004 | -0.010 | 15.924 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 6461 | VAL | 0 | -0.007 | -0.008 | 15.570 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 6462 | LEU | 0 | -0.018 | -0.008 | 17.802 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 6463 | MET | 0 | -0.042 | -0.011 | 20.297 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 6464 | LEU | 0 | -0.031 | -0.007 | 14.327 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 6465 | ARG | 1 | 0.849 | 0.921 | 18.277 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 6466 | ASN | 0 | -0.038 | -0.028 | 20.076 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 6467 | ARG | 1 | 0.901 | 0.966 | 19.617 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 6468 | ALA | 0 | 0.028 | 0.018 | 21.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 6469 | ILE | 0 | -0.018 | -0.008 | 22.024 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 6470 | VAL | 0 | 0.004 | 0.010 | 24.769 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 6471 | PRO | 0 | -0.014 | 0.003 | 27.488 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 6472 | PHE | 0 | 0.013 | 0.006 | 28.238 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 6473 | LEU | 0 | 0.007 | 0.013 | 30.111 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 6474 | SER | 0 | -0.012 | -0.019 | 31.910 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 6475 | GLY | 0 | 0.036 | 0.043 | 32.199 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 6476 | ARG | 1 | 0.807 | 0.883 | 33.184 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 6477 | GLN | 0 | -0.005 | -0.021 | 36.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 6478 | PRO | 0 | 0.018 | 0.034 | 34.557 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 6479 | LEU | 0 | -0.020 | -0.010 | 30.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 6480 | GLU | -1 | -0.907 | -0.934 | 34.888 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 6481 | HIS | 0 | -0.031 | -0.017 | 34.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 6482 | PHE | 0 | -0.006 | -0.032 | 26.772 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 6483 | ASP | -1 | -0.780 | -0.876 | 31.460 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 6484 | PHE | 0 | -0.049 | -0.035 | 28.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 6485 | ALA | 0 | -0.020 | -0.003 | 31.777 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 6486 | ALA | 0 | -0.023 | 0.002 | 31.556 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 6487 | THR | 0 | -0.049 | -0.036 | 26.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 6488 | PRO | 0 | 0.036 | 0.037 | 23.541 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 6489 | LEU | 0 | -0.030 | -0.012 | 22.224 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 6490 | ARG | 1 | 0.848 | 0.897 | 25.400 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 6491 | PHE | 0 | -0.012 | -0.010 | 26.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 6492 | GLU | -1 | -0.711 | -0.817 | 27.057 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 6493 | ARG | 1 | 0.752 | 0.837 | 28.964 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 6494 | ALA | 0 | -0.001 | 0.006 | 31.411 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 6495 | LEU | 0 | 0.001 | 0.007 | 28.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 6496 | THR | 0 | -0.047 | -0.028 | 26.402 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 6497 | PRO | 0 | 0.024 | 0.010 | 26.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 6498 | TRP | 0 | -0.041 | -0.032 | 17.114 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 6499 | PRO | 0 | -0.025 | -0.006 | 21.534 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 6500 | ASP | -1 | -0.937 | -0.967 | 21.778 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 6501 | ALA | 0 | 0.014 | 0.007 | 18.536 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 6502 | PRO | 0 | 0.017 | 0.009 | 13.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 6503 | LEU | 0 | -0.004 | 0.020 | 15.069 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 6504 | LEU | 0 | -0.006 | -0.014 | 9.012 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 6505 | ALA | 0 | 0.029 | 0.008 | 13.061 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 6506 | ALA | 0 | 0.005 | 0.008 | 12.829 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 6507 | VAL | 0 | -0.011 | -0.007 | 14.348 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 6508 | SER | 0 | -0.045 | -0.017 | 15.573 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 6509 | SER | 0 | -0.012 | -0.018 | 18.117 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 6510 | PHE | 0 | -0.037 | -0.044 | 17.536 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 6511 | ALA | 0 | 0.045 | 0.026 | 22.199 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 6512 | ASP | -1 | -0.903 | -0.955 | 25.115 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 6513 | GLY | 0 | -0.034 | -0.012 | 27.231 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 6514 | GLY | 0 | -0.003 | 0.002 | 25.023 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 6515 | THR | 0 | 0.001 | -0.005 | 20.139 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 6516 | ASN | 0 | -0.027 | -0.022 | 18.292 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 6517 | ALA | 0 | -0.001 | -0.019 | 15.713 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 6518 | HIS | 0 | 0.045 | 0.031 | 12.476 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 6519 | ALA | 0 | -0.010 | -0.005 | 10.873 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 6520 | VAL | 0 | 0.036 | 0.023 | 8.220 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 6521 | LEU | 0 | -0.016 | -0.013 | 8.869 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 6522 | ALA | 0 | 0.050 | 0.024 | 9.439 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 6523 | GLY | 0 | 0.023 | 0.010 | 11.453 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 6524 | ARG | 1 | 0.825 | 0.896 | 12.785 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 6525 | THR | 0 | 0.003 | 0.012 | 15.022 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 6526 | ASN | 0 | -0.118 | -0.076 | 16.026 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 6527 | GLY | 0 | 0.093 | 0.050 | 19.201 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 6528 | THR | 0 | -0.071 | -0.033 | 18.696 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 6529 | THR | 0 | -0.049 | -0.037 | 17.447 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 6530 | GLY | 0 | -0.005 | -0.005 | 20.347 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 6531 | ARG | 1 | 0.918 | 0.957 | 21.595 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 6532 | ARG | 1 | 0.792 | 0.903 | 23.562 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 6533 | ALA | 0 | -0.022 | -0.019 | 25.491 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 6534 | PRO | 0 | -0.004 | -0.005 | 26.909 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 6535 | LEU | 0 | -0.032 | -0.015 | 28.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 6536 | ASP | -1 | -0.914 | -0.956 | 31.121 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 6537 | ARG | 1 | 0.859 | 0.933 | 29.353 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 6538 | PRO | 0 | 0.014 | 0.014 | 33.443 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 6539 | ARG | 1 | 0.930 | 0.951 | 36.541 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 6540 | LEU | 0 | -0.005 | 0.007 | 35.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 6541 | ALA | 0 | 0.006 | 0.004 | 39.787 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 6542 | ARG | 1 | 0.739 | 0.857 | 35.544 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 6543 | ARG | 1 | 0.828 | 0.882 | 42.615 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 6544 | GLY | 0 | 0.025 | 0.020 | 43.671 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |