FMODB ID: YZMG2
Calculation Name: 5DSE-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5DSE
Chain ID: A
UniProt ID: Q9BYI3
Base Structure: X-ray
Registration Date: 2023-06-26
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 | 542 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10002907.306154 |
---|---|
FMO2-HF: Nuclear repulsion | 9787181.889507 |
FMO2-HF: Total energy | -215725.416647 |
FMO2-MP2: Total energy | -216347.866626 |
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:140:VAL)
Summations of interaction energy for
fragment #1(A:140:VAL)
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. |
-5.615 | -1.194 | 0.09 | -1.593 | -2.918 | 0.001 |
Interaction energy analysis for fragmet #1(A:140:VAL)
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 | 142 | ALA | 0 | 0.016 | 0.016 | 3.320 | -3.401 | -1.395 | 0.010 | -0.897 | -1.119 | 0.003 |
4 | A | 143 | GLU | -1 | -0.818 | -0.927 | 3.133 | -4.245 | -2.917 | 0.064 | -0.335 | -1.057 | -0.001 |
5 | A | 144 | ALA | 0 | 0.003 | 0.023 | 3.658 | 0.267 | 0.753 | 0.003 | -0.199 | -0.290 | 0.000 |
6 | A | 145 | TYR | 0 | 0.015 | 0.002 | 5.598 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 146 | ALA | 0 | 0.042 | 0.016 | 7.962 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 147 | THR | 0 | -0.037 | -0.029 | 7.358 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 148 | LYS | 1 | 0.831 | 0.918 | 9.735 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 149 | GLY | 0 | 0.026 | 0.003 | 11.654 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 150 | LEU | 0 | 0.020 | 0.006 | 11.261 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 151 | CYS | 0 | -0.081 | -0.043 | 12.668 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 152 | LEU | 0 | -0.037 | -0.007 | 15.375 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 153 | GLU | -1 | -0.836 | -0.845 | 17.539 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 171 | ASP | -1 | -0.766 | -0.886 | 16.872 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 172 | VAL | 0 | 0.066 | 0.041 | 16.849 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 173 | ILE | 0 | 0.012 | 0.009 | 16.035 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 174 | THR | 0 | 0.015 | -0.005 | 16.213 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 175 | CYS | 0 | -0.135 | -0.051 | 12.850 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 176 | TYR | 0 | -0.005 | -0.046 | 11.613 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 177 | GLU | -1 | -0.813 | -0.869 | 12.310 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 178 | LYS | 1 | 0.964 | 0.980 | 10.858 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 179 | ALA | 0 | -0.020 | 0.002 | 7.868 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 180 | GLY | 0 | 0.014 | -0.002 | 7.853 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 181 | ASP | -1 | -0.820 | -0.884 | 10.304 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 182 | ILE | 0 | -0.030 | -0.026 | 5.257 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 183 | ALA | 0 | -0.006 | -0.003 | 5.944 | 0.537 | 0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 184 | LEU | 0 | -0.008 | -0.005 | 6.926 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 185 | LEU | 0 | -0.001 | 0.010 | 8.774 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 186 | TYR | 0 | 0.015 | -0.004 | 3.627 | -0.681 | -0.156 | 0.014 | -0.149 | -0.390 | -0.001 |
31 | A | 187 | LEU | 0 | 0.007 | 0.005 | 6.969 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 188 | GLN | 0 | -0.023 | -0.026 | 9.412 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 189 | GLU | -1 | -0.903 | -0.938 | 8.774 | 1.044 | 1.044 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 190 | ILE | 0 | -0.018 | -0.009 | 6.889 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 191 | GLU | -1 | -0.821 | -0.885 | 10.850 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 192 | ARG | 1 | 0.794 | 0.894 | 11.946 | -0.778 | -0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 193 | VAL | 0 | -0.053 | -0.003 | 12.789 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 214 | LEU | 0 | 0.047 | 0.022 | 11.580 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 215 | GLY | 0 | 0.011 | -0.002 | 8.023 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 216 | PHE | 0 | 0.070 | 0.038 | 9.019 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 217 | PHE | 0 | 0.018 | 0.008 | 6.747 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 218 | LEU | 0 | -0.005 | 0.006 | 3.929 | 0.118 | 0.194 | -0.001 | -0.013 | -0.062 | 0.000 |
43 | A | 219 | GLU | -1 | -0.926 | -0.958 | 7.723 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 220 | THR | 0 | -0.052 | -0.036 | 11.423 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 221 | GLY | 0 | 0.007 | -0.007 | 9.715 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 222 | LEU | 0 | -0.028 | -0.016 | 10.011 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 223 | GLN | 0 | -0.071 | -0.037 | 12.222 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 224 | ARG | 1 | 0.781 | 0.843 | 14.777 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 225 | ALA | 0 | 0.058 | 0.028 | 15.398 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 226 | HIS | 0 | 0.084 | 0.035 | 17.012 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 227 | VAL | 0 | -0.029 | -0.008 | 19.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 228 | LEU | 0 | 0.006 | 0.012 | 18.625 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 229 | TYR | 0 | -0.033 | -0.058 | 19.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 230 | PHE | 0 | -0.004 | -0.001 | 23.589 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 231 | LYS | 1 | 0.851 | 0.937 | 23.500 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 232 | ASN | 0 | -0.058 | -0.022 | 25.682 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 233 | GLY | 0 | 0.044 | 0.029 | 27.605 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 234 | ASN | 0 | -0.015 | 0.008 | 26.400 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 235 | LEU | 0 | 0.068 | 0.012 | 26.705 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 236 | THR | 0 | -0.004 | 0.005 | 27.514 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 237 | ARG | 1 | 0.937 | 0.967 | 21.681 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 238 | GLY | 0 | -0.002 | 0.006 | 22.841 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 239 | VAL | 0 | 0.011 | -0.003 | 23.263 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 240 | GLY | 0 | 0.014 | 0.017 | 23.754 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 241 | ARG | 1 | 0.833 | 0.878 | 13.511 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 242 | PHE | 0 | -0.001 | -0.022 | 19.350 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 243 | ARG | 1 | 0.802 | 0.870 | 21.280 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 244 | GLU | -1 | -0.934 | -0.957 | 17.977 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 245 | LEU | 0 | -0.023 | -0.021 | 14.483 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 246 | LEU | 0 | -0.051 | -0.019 | 17.627 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 247 | ARG | 1 | 0.933 | 0.966 | 20.743 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 248 | ALA | 0 | -0.031 | 0.006 | 15.531 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 249 | VAL | 0 | -0.003 | -0.006 | 17.350 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 250 | GLU | -1 | -0.831 | -0.891 | 16.810 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 251 | THR | 0 | 0.046 | 0.020 | 13.455 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 252 | ARG | 1 | 0.823 | 0.892 | 16.593 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 253 | THR | 0 | -0.056 | -0.031 | 12.953 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 254 | THR | 0 | 0.019 | -0.003 | 13.381 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 255 | GLN | 0 | 0.020 | 0.019 | 15.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 256 | ASN | 0 | 0.039 | 0.013 | 19.141 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 257 | LEU | 0 | 0.051 | 0.031 | 14.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 258 | ARG | 1 | 0.866 | 0.904 | 17.787 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 259 | MET | 0 | -0.024 | 0.006 | 20.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 260 | THR | 0 | -0.043 | -0.020 | 21.380 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 261 | ILE | 0 | 0.008 | -0.005 | 18.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 262 | ALA | 0 | -0.002 | 0.015 | 22.553 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 263 | ARG | 1 | 0.925 | 0.956 | 25.303 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 264 | GLN | 0 | -0.021 | -0.020 | 23.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 265 | LEU | 0 | 0.017 | 0.008 | 25.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 266 | ALA | 0 | 0.035 | 0.020 | 27.326 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 267 | GLU | -1 | -0.847 | -0.903 | 30.118 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 268 | ILE | 0 | -0.032 | -0.014 | 27.329 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 269 | LEU | 0 | 0.017 | 0.007 | 29.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 270 | LEU | 0 | -0.031 | -0.002 | 33.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 271 | ARG | 1 | 0.809 | 0.879 | 32.277 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 272 | GLY | 0 | -0.015 | -0.001 | 34.190 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 273 | MET | 0 | -0.052 | -0.001 | 32.038 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 274 | CYS | 0 | -0.009 | 0.005 | 35.793 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 275 | GLU | -1 | -0.765 | -0.894 | 37.990 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 276 | GLN | 0 | -0.011 | -0.011 | 39.595 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 277 | SER | 0 | -0.049 | -0.024 | 36.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 278 | TYR | 0 | -0.053 | -0.047 | 31.572 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 279 | TRP | 0 | 0.049 | 0.028 | 27.953 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 280 | ASN | 0 | 0.057 | 0.010 | 31.414 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 281 | PRO | 0 | -0.050 | -0.029 | 26.692 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 282 | LEU | 0 | -0.094 | -0.061 | 26.178 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 283 | GLU | -1 | -0.880 | -0.921 | 28.141 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 284 | ASP | -1 | -0.895 | -0.941 | 27.779 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 285 | PRO | 0 | -0.103 | -0.051 | 27.875 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 319 | PHE | 0 | 0.011 | 0.004 | 30.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 320 | CYS | 0 | -0.067 | -0.035 | 30.011 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 321 | PRO | 0 | -0.048 | -0.011 | 30.488 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 322 | GLN | 0 | 0.027 | 0.018 | 33.274 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 323 | GLU | -1 | -0.817 | -0.868 | 36.084 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 324 | ASN | 0 | 0.020 | -0.008 | 34.960 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 325 | THR | 0 | -0.061 | -0.077 | 34.740 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 326 | GLU | -1 | -0.818 | -0.902 | 35.303 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 327 | GLU | -1 | -0.744 | -0.828 | 28.219 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 328 | ALA | 0 | 0.028 | 0.012 | 31.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 329 | LEU | 0 | -0.005 | -0.010 | 32.457 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 330 | LEU | 0 | -0.001 | 0.011 | 29.505 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 331 | LEU | 0 | 0.027 | 0.011 | 25.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 332 | LEU | 0 | -0.028 | 0.006 | 28.718 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 333 | LEU | 0 | 0.038 | 0.014 | 31.294 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 334 | ILE | 0 | 0.005 | 0.018 | 25.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 335 | SER | 0 | -0.037 | -0.046 | 26.966 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 336 | GLU | -1 | -0.776 | -0.852 | 28.019 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 337 | SER | 0 | -0.058 | -0.046 | 28.904 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 338 | MET | 0 | -0.052 | -0.023 | 22.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 339 | ALA | 0 | -0.037 | -0.004 | 26.153 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 340 | ASN | 0 | -0.007 | 0.006 | 28.468 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 341 | ARG | 1 | 0.943 | 0.983 | 28.329 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 363 | SER | 0 | 0.043 | 0.020 | 34.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 364 | VAL | 0 | 0.053 | 0.010 | 32.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 365 | VAL | 0 | 0.025 | 0.010 | 30.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 366 | TYR | 0 | 0.013 | -0.014 | 33.388 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 367 | ASP | -1 | -0.801 | -0.879 | 36.986 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 368 | LEU | 0 | -0.037 | -0.004 | 32.496 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 369 | LEU | 0 | 0.031 | 0.012 | 35.284 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 370 | THR | 0 | -0.055 | -0.049 | 37.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 371 | ILE | 0 | -0.013 | -0.004 | 38.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 372 | ALA | 0 | -0.014 | -0.009 | 37.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 373 | LEU | 0 | 0.023 | -0.001 | 39.366 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 374 | GLY | 0 | -0.002 | 0.007 | 41.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 375 | ARG | 1 | 0.823 | 0.907 | 38.962 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 376 | ARG | 1 | 0.810 | 0.890 | 40.311 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 377 | GLY | 0 | 0.040 | 0.033 | 45.186 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 378 | GLN | 0 | -0.045 | -0.020 | 43.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 379 | TYR | 0 | 0.027 | -0.008 | 44.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 380 | GLU | -1 | -0.824 | -0.895 | 46.837 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 381 | MET | 0 | 0.074 | 0.051 | 38.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 382 | LEU | 0 | -0.009 | 0.015 | 41.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 383 | SER | 0 | -0.047 | -0.035 | 43.158 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 384 | GLU | -1 | -0.880 | -0.950 | 42.613 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 385 | CYS | 0 | -0.095 | -0.052 | 38.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 386 | LEU | 0 | 0.027 | 0.004 | 39.817 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 387 | GLU | -1 | -0.805 | -0.853 | 42.110 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 388 | ARG | 1 | 0.752 | 0.838 | 36.283 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 389 | ALA | 0 | 0.030 | 0.014 | 38.312 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 390 | MET | 0 | -0.042 | -0.031 | 39.348 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 391 | LYS | 1 | 0.877 | 0.957 | 39.567 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 392 | PHE | 0 | -0.032 | -0.009 | 34.491 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 393 | ALA | 0 | -0.028 | 0.005 | 38.673 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 394 | PHE | 0 | 0.021 | 0.011 | 40.343 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 395 | GLU | -1 | -0.818 | -0.901 | 43.785 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 396 | GLU | -1 | -0.899 | -0.939 | 41.396 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 397 | PHE | 0 | 0.030 | -0.011 | 45.882 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 398 | HIS | 0 | -0.048 | -0.024 | 40.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 399 | LEU | 0 | 0.008 | -0.007 | 39.259 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 400 | TRP | 0 | 0.010 | 0.003 | 43.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 401 | TYR | 0 | 0.016 | -0.021 | 47.209 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 402 | GLN | 0 | -0.004 | -0.006 | 42.522 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 403 | PHE | 0 | -0.002 | -0.001 | 45.505 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 404 | ALA | 0 | 0.032 | 0.017 | 46.858 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 405 | LEU | 0 | -0.001 | -0.001 | 48.956 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 406 | SER | 0 | -0.027 | -0.021 | 46.287 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 407 | LEU | 0 | -0.026 | -0.020 | 48.325 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 408 | MET | 0 | -0.056 | -0.022 | 50.882 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 409 | ALA | 0 | -0.012 | 0.002 | 50.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 410 | ALA | 0 | 0.001 | 0.011 | 49.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 411 | GLY | 0 | 0.029 | 0.019 | 51.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 412 | LYS | 1 | 0.778 | 0.881 | 50.345 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 413 | SER | 0 | 0.042 | 0.004 | 54.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 414 | ALA | 0 | 0.039 | 0.022 | 57.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 415 | ARG | 1 | 0.777 | 0.844 | 48.324 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 416 | ALA | 0 | 0.055 | 0.034 | 53.624 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 417 | VAL | 0 | 0.024 | 0.004 | 54.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 418 | LYS | 1 | 0.907 | 0.955 | 55.619 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 419 | VAL | 0 | 0.075 | 0.038 | 49.935 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 420 | LEU | 0 | 0.018 | 0.014 | 53.350 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 421 | LYS | 1 | 0.855 | 0.918 | 55.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 422 | GLU | -1 | -0.845 | -0.905 | 52.886 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 423 | CYS | 0 | -0.044 | -0.012 | 51.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 424 | ILE | 0 | -0.001 | -0.011 | 53.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 425 | ARG | 1 | 0.697 | 0.824 | 52.277 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 426 | LEU | 0 | -0.012 | 0.000 | 49.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 427 | LYS | 1 | 0.801 | 0.909 | 51.311 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 428 | PRO | 0 | 0.067 | 0.045 | 54.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 429 | ASP | -1 | -0.815 | -0.914 | 54.775 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 430 | ASP | -1 | -0.789 | -0.863 | 54.588 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 431 | ALA | 0 | -0.018 | -0.028 | 57.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 432 | THR | 0 | -0.029 | -0.033 | 55.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 433 | ILE | 0 | 0.017 | 0.024 | 54.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 434 | PRO | 0 | 0.027 | 0.017 | 57.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 435 | LEU | 0 | 0.030 | 0.018 | 60.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 436 | LEU | 0 | -0.018 | -0.010 | 55.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 437 | ALA | 0 | 0.011 | 0.011 | 59.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 438 | ALA | 0 | 0.034 | 0.012 | 60.445 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 439 | LYS | 1 | 0.917 | 0.963 | 60.457 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 440 | LEU | 0 | -0.038 | -0.021 | 57.070 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 441 | CYS | 0 | -0.104 | -0.047 | 61.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 442 | MET | 0 | -0.032 | -0.016 | 64.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 443 | GLY | 0 | 0.023 | 0.033 | 64.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 444 | SER | 0 | -0.030 | -0.034 | 62.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 445 | LEU | 0 | -0.053 | -0.016 | 60.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 446 | HIS | 0 | -0.010 | -0.016 | 64.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 447 | TRP | 0 | -0.010 | 0.003 | 60.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 448 | LEU | 0 | 0.032 | -0.002 | 67.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 449 | GLU | -1 | -0.827 | -0.903 | 70.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 450 | GLU | -1 | -0.826 | -0.902 | 64.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 451 | ALA | 0 | 0.012 | 0.004 | 66.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 452 | GLU | -1 | -0.752 | -0.822 | 67.573 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 453 | LYS | 1 | 0.786 | 0.880 | 67.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 454 | PHE | 0 | 0.000 | -0.001 | 60.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 455 | ALA | 0 | 0.014 | 0.000 | 65.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 456 | LYS | 1 | 0.893 | 0.941 | 67.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 457 | THR | 0 | -0.055 | -0.038 | 62.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 458 | VAL | 0 | -0.051 | -0.021 | 63.776 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 459 | VAL | 0 | -0.040 | -0.013 | 65.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 460 | ASP | -1 | -0.873 | -0.948 | 68.973 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 461 | VAL | 0 | -0.058 | -0.024 | 64.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 462 | GLY | 0 | 0.015 | 0.006 | 64.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 463 | GLU | -1 | -0.778 | -0.868 | 65.171 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 464 | LYS | 1 | 0.774 | 0.897 | 60.368 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 465 | THR | 0 | -0.013 | -0.011 | 62.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 466 | SER | 0 | 0.038 | -0.007 | 65.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 467 | GLU | -1 | -0.772 | -0.841 | 64.538 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 468 | PHE | 0 | -0.006 | -0.013 | 59.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 469 | LYS | 1 | 0.836 | 0.919 | 65.003 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 470 | ALA | 0 | 0.010 | 0.009 | 68.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 471 | LYS | 1 | 0.831 | 0.886 | 64.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 472 | GLY | 0 | 0.035 | 0.026 | 67.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 473 | TYR | 0 | -0.041 | -0.048 | 68.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 474 | LEU | 0 | -0.013 | 0.010 | 68.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 475 | ALA | 0 | 0.003 | 0.003 | 67.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 476 | LEU | 0 | -0.002 | 0.008 | 69.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 477 | GLY | 0 | 0.026 | 0.012 | 72.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 478 | LEU | 0 | -0.021 | -0.016 | 69.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 479 | THR | 0 | -0.015 | -0.016 | 70.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 480 | TYR | 0 | -0.055 | -0.064 | 72.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 481 | SER | 0 | 0.007 | -0.015 | 75.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 482 | LEU | 0 | -0.045 | -0.018 | 70.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 483 | GLN | 0 | 0.004 | -0.020 | 73.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 484 | ALA | 0 | -0.033 | -0.026 | 76.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 485 | THR | 0 | -0.055 | -0.028 | 77.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 486 | ASP | -1 | -0.821 | -0.897 | 75.469 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 487 | ALA | 0 | -0.062 | -0.015 | 78.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 488 | SER | 0 | 0.012 | 0.009 | 81.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 489 | LEU | 0 | 0.016 | 0.004 | 84.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 490 | ARG | 1 | 0.942 | 0.952 | 86.468 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 491 | GLY | 0 | 0.002 | 0.011 | 88.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 492 | MET | 0 | -0.035 | -0.020 | 81.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 493 | GLN | 0 | 0.032 | -0.006 | 83.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 494 | GLU | -1 | -0.791 | -0.879 | 84.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 495 | VAL | 0 | -0.079 | -0.024 | 83.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 496 | LEU | 0 | -0.015 | -0.001 | 78.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 497 | GLN | 0 | 0.024 | 0.001 | 80.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 498 | ARG | 1 | 0.914 | 0.950 | 82.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 499 | LYS | 1 | 0.883 | 0.950 | 78.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 500 | ALA | 0 | 0.014 | 0.009 | 77.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 501 | LEU | 0 | -0.015 | 0.006 | 78.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 502 | LEU | 0 | -0.002 | -0.003 | 80.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 503 | ALA | 0 | -0.017 | 0.004 | 75.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 504 | PHE | 0 | 0.039 | 0.004 | 73.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 505 | GLN | 0 | 0.012 | 0.009 | 76.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 506 | ARG | 1 | 0.893 | 0.954 | 75.052 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 507 | ALA | 0 | 0.013 | 0.011 | 72.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 508 | HIS | 0 | 0.021 | -0.002 | 73.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 509 | SER | 0 | -0.097 | -0.055 | 75.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 510 | LEU | 0 | -0.077 | -0.034 | 71.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 511 | SER | 0 | -0.025 | -0.043 | 69.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 512 | PRO | 0 | 0.016 | 0.026 | 72.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 513 | THR | 0 | 0.011 | -0.005 | 70.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 514 | ASP | -1 | -0.792 | -0.893 | 69.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 515 | HIS | 0 | 0.010 | -0.015 | 69.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 516 | GLN | 0 | 0.006 | -0.002 | 66.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 517 | ALA | 0 | 0.015 | 0.009 | 71.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 518 | ALA | 0 | 0.020 | 0.015 | 73.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 519 | PHE | 0 | 0.022 | 0.004 | 73.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 520 | TYR | 0 | -0.015 | -0.046 | 70.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 521 | LEU | 0 | -0.038 | -0.004 | 75.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 522 | ALA | 0 | 0.004 | 0.003 | 78.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 523 | LEU | 0 | -0.011 | 0.000 | 76.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 524 | GLN | 0 | 0.036 | 0.028 | 78.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 525 | LEU | 0 | -0.034 | 0.005 | 80.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 526 | ALA | 0 | 0.021 | 0.009 | 82.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 527 | ILE | 0 | -0.046 | -0.021 | 79.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 528 | SER | 0 | -0.066 | -0.044 | 83.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 529 | ARG | 1 | 0.849 | 0.926 | 86.541 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 530 | GLN | 0 | -0.016 | -0.004 | 87.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 531 | ILE | 0 | 0.001 | -0.008 | 87.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 532 | PRO | 0 | 0.013 | 0.003 | 87.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 533 | GLU | -1 | -0.817 | -0.911 | 86.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 534 | ALA | 0 | 0.000 | 0.005 | 83.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 535 | LEU | 0 | 0.001 | -0.003 | 83.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 536 | GLY | 0 | -0.023 | -0.003 | 84.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 537 | TYR | 0 | -0.004 | -0.018 | 80.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 538 | VAL | 0 | 0.035 | 0.017 | 79.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 539 | ARG | 1 | 0.912 | 0.967 | 79.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 540 | GLN | 0 | 0.042 | 0.027 | 78.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 541 | ALA | 0 | 0.007 | 0.000 | 75.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 542 | LEU | 0 | -0.025 | -0.014 | 75.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 543 | GLN | 0 | -0.062 | -0.038 | 76.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 544 | LEU | 0 | -0.069 | -0.003 | 72.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 545 | GLN | 0 | -0.040 | -0.037 | 68.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 546 | GLY | 0 | 0.014 | 0.013 | 72.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 547 | ASP | -1 | -0.859 | -0.926 | 69.358 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 548 | ASP | -1 | -0.761 | -0.827 | 71.166 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 549 | ALA | 0 | 0.039 | 0.016 | 71.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 550 | ASN | 0 | -0.055 | -0.029 | 70.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 551 | SER | 0 | 0.013 | -0.042 | 74.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 552 | LEU | 0 | 0.007 | 0.016 | 74.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 553 | HIS | 0 | 0.024 | 0.024 | 76.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 554 | LEU | 0 | -0.004 | -0.007 | 78.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 555 | LEU | 0 | -0.002 | 0.007 | 80.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 556 | ALA | 0 | 0.028 | 0.023 | 81.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 557 | LEU | 0 | -0.022 | -0.006 | 80.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 558 | LEU | 0 | 0.002 | 0.011 | 83.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 559 | LEU | 0 | -0.012 | -0.002 | 85.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 560 | SER | 0 | -0.041 | -0.036 | 86.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 561 | ALA | 0 | -0.016 | -0.009 | 88.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 562 | GLN | 0 | -0.071 | -0.041 | 90.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 563 | LYS | 1 | 0.829 | 0.928 | 91.981 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 564 | HIS | 0 | 0.018 | 0.030 | 90.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 565 | TYR | 0 | 0.029 | -0.016 | 89.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 566 | HIS | 0 | 0.049 | 0.020 | 89.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 567 | ASP | -1 | -0.906 | -0.950 | 88.430 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 568 | ALA | 0 | -0.004 | -0.003 | 85.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 569 | LEU | 0 | 0.002 | 0.001 | 84.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 570 | ASN | 0 | 0.009 | -0.005 | 83.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 571 | ILE | 0 | -0.004 | 0.004 | 81.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 572 | ILE | 0 | -0.029 | -0.008 | 79.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 573 | ASP | -1 | -0.786 | -0.888 | 79.118 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 574 | MET | 0 | -0.032 | -0.005 | 78.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 575 | ALA | 0 | 0.019 | 0.018 | 76.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 576 | LEU | 0 | -0.033 | -0.034 | 74.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 577 | SER | 0 | -0.119 | -0.071 | 74.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 578 | GLU | -1 | -0.890 | -0.937 | 71.621 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 579 | TYR | 0 | -0.111 | -0.063 | 68.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 580 | PRO | 0 | 0.036 | 0.021 | 70.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 581 | GLU | -1 | -0.910 | -0.969 | 67.628 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 582 | ASN | 0 | -0.020 | -0.002 | 70.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 583 | PHE | 0 | 0.039 | -0.016 | 69.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 584 | ILE | 0 | -0.018 | 0.004 | 71.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 585 | LEU | 0 | 0.018 | 0.019 | 74.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 586 | LEU | 0 | 0.015 | 0.013 | 75.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 587 | PHE | 0 | -0.005 | -0.018 | 75.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 588 | SER | 0 | 0.001 | -0.021 | 79.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 589 | LYS | 1 | 0.798 | 0.904 | 81.112 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 590 | VAL | 0 | -0.013 | -0.007 | 81.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 591 | LYS | 1 | 0.811 | 0.904 | 83.748 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 592 | LEU | 0 | 0.034 | 0.014 | 84.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 593 | GLN | 0 | 0.038 | 0.022 | 85.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 594 | SER | 0 | -0.035 | -0.041 | 88.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 595 | LEU | 0 | -0.048 | -0.008 | 89.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 596 | CYS | 0 | -0.108 | -0.043 | 90.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 597 | ARG | 1 | 0.827 | 0.908 | 89.284 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 598 | GLY | 0 | 0.049 | 0.021 | 91.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 599 | PRO | 0 | 0.009 | 0.004 | 90.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 600 | ASP | -1 | -0.873 | -0.949 | 89.500 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 601 | GLU | -1 | -0.792 | -0.892 | 87.946 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 602 | ALA | 0 | 0.036 | 0.038 | 86.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 603 | LEU | 0 | 0.014 | 0.000 | 84.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 604 | LEU | 0 | -0.051 | -0.022 | 84.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 605 | THR | 0 | 0.018 | -0.012 | 80.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 606 | CYS | 0 | -0.049 | -0.020 | 80.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 607 | LYS | 1 | 0.910 | 0.952 | 79.620 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 608 | HIS | 0 | 0.067 | 0.040 | 75.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 609 | MET | 0 | 0.007 | 0.017 | 75.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 610 | LEU | 0 | -0.021 | -0.008 | 74.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 611 | GLN | 0 | -0.056 | -0.036 | 74.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 612 | ILE | 0 | 0.088 | 0.056 | 70.678 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 613 | TRP | 0 | -0.035 | -0.014 | 69.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 614 | LYS | 1 | 0.919 | 0.948 | 69.487 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 615 | SER | 0 | -0.073 | -0.035 | 68.285 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 616 | CYS | 0 | -0.020 | 0.001 | 65.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 617 | TYR | 0 | -0.078 | -0.043 | 64.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 689 | LEU | 0 | 0.082 | 0.034 | 60.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 690 | HIS | 1 | 0.861 | 0.909 | 63.984 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 691 | PRO | 0 | 0.126 | 0.088 | 65.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 692 | TRP | 0 | 0.079 | 0.024 | 66.654 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 693 | MET | 0 | -0.004 | 0.001 | 71.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 694 | THR | 0 | 0.023 | 0.020 | 70.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 695 | LEU | 0 | 0.024 | 0.025 | 72.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 696 | ALA | 0 | 0.023 | 0.003 | 74.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 697 | GLN | 0 | 0.011 | 0.003 | 76.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 698 | ILE | 0 | -0.018 | 0.003 | 74.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 699 | TRP | 0 | 0.000 | -0.001 | 77.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 700 | LEU | 0 | -0.006 | -0.013 | 80.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 701 | HIS | 0 | 0.039 | 0.026 | 80.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 702 | ALA | 0 | 0.027 | 0.009 | 83.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 703 | ALA | 0 | -0.013 | -0.015 | 85.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 704 | GLU | -1 | -0.854 | -0.927 | 84.873 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 705 | VAL | 0 | -0.007 | 0.020 | 87.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 706 | TYR | 0 | -0.013 | -0.025 | 87.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 707 | ILE | 0 | -0.013 | -0.013 | 90.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 708 | GLY | 0 | -0.004 | 0.003 | 92.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 709 | ILE | 0 | -0.069 | -0.033 | 92.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 710 | GLY | 0 | 0.042 | 0.031 | 95.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 711 | LYS | 1 | 0.817 | 0.896 | 93.821 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 712 | PRO | 0 | 0.066 | 0.023 | 93.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 713 | ALA | 0 | -0.012 | 0.015 | 92.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 714 | GLU | -1 | -0.780 | -0.894 | 89.488 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 715 | ALA | 0 | 0.063 | 0.043 | 88.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 716 | THR | 0 | -0.017 | -0.012 | 87.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 717 | ALA | 0 | -0.014 | -0.002 | 86.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 718 | CYS | 0 | -0.053 | -0.023 | 83.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 719 | THR | 0 | -0.003 | -0.034 | 82.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 720 | GLN | 0 | -0.018 | -0.005 | 81.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 721 | GLU | -1 | -0.847 | -0.921 | 79.225 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 722 | ALA | 0 | -0.025 | -0.018 | 78.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 723 | ALA | 0 | -0.071 | -0.030 | 78.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 724 | ASN | 0 | -0.042 | -0.028 | 77.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 725 | LEU | 0 | -0.061 | -0.006 | 72.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 726 | PHE | 0 | -0.042 | -0.040 | 71.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 727 | PRO | 0 | 0.033 | 0.022 | 76.921 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 728 | MET | 0 | 0.020 | 0.012 | 79.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 729 | SER | 0 | 0.014 | 0.004 | 78.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 730 | HIS | 0 | 0.082 | 0.029 | 79.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 731 | ASN | 0 | -0.028 | -0.010 | 79.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 732 | VAL | 0 | 0.036 | 0.017 | 80.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 733 | LEU | 0 | -0.034 | 0.000 | 83.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 734 | TYR | 0 | -0.004 | -0.027 | 85.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 735 | MET | 0 | 0.001 | 0.005 | 85.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 736 | ARG | 1 | 0.877 | 0.946 | 83.793 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 737 | GLY | 0 | 0.036 | 0.017 | 89.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 738 | GLN | 0 | 0.004 | 0.012 | 90.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 739 | ILE | 0 | -0.025 | -0.010 | 89.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 740 | ALA | 0 | -0.035 | -0.009 | 93.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 741 | GLU | -1 | -0.759 | -0.842 | 95.577 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 742 | LEU | 0 | -0.060 | -0.007 | 95.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 743 | ARG | 1 | 0.799 | 0.860 | 93.439 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 744 | GLY | 0 | 0.022 | 0.027 | 99.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 745 | SER | 0 | -0.043 | -0.037 | 97.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 746 | MET | 0 | 0.044 | 0.008 | 98.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 747 | ASP | -1 | -0.817 | -0.893 | 98.453 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 748 | GLU | -1 | -0.716 | -0.792 | 93.897 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 749 | ALA | 0 | -0.004 | -0.004 | 94.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 750 | ARG | 1 | 0.836 | 0.907 | 93.488 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 751 | ARG | 1 | 0.766 | 0.851 | 92.646 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 752 | TRP | 0 | -0.001 | -0.010 | 86.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 753 | TYR | 0 | -0.040 | -0.054 | 88.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 754 | GLU | -1 | -0.788 | -0.873 | 89.435 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 755 | GLU | -1 | -0.904 | -0.955 | 85.893 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 756 | ALA | 0 | -0.044 | -0.029 | 84.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 757 | LEU | 0 | -0.064 | -0.033 | 84.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 758 | ALA | 0 | -0.010 | 0.004 | 85.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 759 | ILE | 0 | -0.060 | -0.021 | 79.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 760 | SER | 0 | -0.041 | -0.028 | 80.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 761 | PRO | 0 | 0.028 | 0.016 | 82.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 762 | THR | 0 | 0.022 | 0.015 | 81.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 763 | HIS | 0 | 0.016 | 0.035 | 83.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 764 | VAL | 0 | 0.072 | 0.001 | 85.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 765 | LYS | 1 | 0.860 | 0.934 | 87.662 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 766 | SER | 0 | 0.028 | -0.013 | 87.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 767 | MET | 0 | -0.051 | -0.007 | 89.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 768 | GLN | 0 | -0.032 | -0.030 | 91.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 769 | ARG | 1 | 0.845 | 0.902 | 92.961 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 770 | LEU | 0 | 0.016 | 0.013 | 92.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 771 | ALA | 0 | 0.001 | 0.005 | 95.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 772 | LEU | 0 | 0.019 | 0.012 | 97.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 773 | ILE | 0 | 0.013 | 0.001 | 96.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 774 | LEU | 0 | -0.046 | -0.034 | 97.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 775 | HIS | 0 | -0.023 | -0.029 | 101.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 776 | GLN | 0 | 0.001 | 0.004 | 103.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 777 | LEU | 0 | -0.079 | -0.036 | 101.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 778 | GLY | 0 | 0.018 | 0.016 | 105.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 779 | ARG | 1 | 0.865 | 0.935 | 102.115 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 780 | TYR | 0 | 0.039 | 0.020 | 102.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 781 | SER | 0 | 0.091 | 0.052 | 102.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 782 | LEU | 0 | -0.041 | -0.018 | 96.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 783 | ALA | 0 | 0.022 | 0.012 | 98.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 784 | GLU | -1 | -0.737 | -0.852 | 98.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 785 | LYS | 1 | 0.805 | 0.879 | 92.424 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 786 | ILE | 0 | 0.001 | -0.002 | 92.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 787 | LEU | 0 | 0.021 | 0.008 | 93.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 788 | ARG | 1 | 0.819 | 0.891 | 94.476 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 789 | ASP | -1 | -0.826 | -0.889 | 90.080 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 790 | ALA | 0 | 0.005 | -0.004 | 89.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 791 | VAL | 0 | -0.036 | -0.012 | 90.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 792 | GLN | 0 | -0.020 | -0.008 | 88.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 793 | VAL | 0 | -0.022 | 0.001 | 84.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 794 | ASN | 0 | 0.019 | 0.005 | 85.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 795 | SER | 0 | 0.041 | 0.035 | 87.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 796 | THR | 0 | -0.013 | -0.005 | 87.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 797 | ALA | 0 | 0.038 | 0.014 | 89.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 798 | HIS | 0 | -0.024 | -0.014 | 91.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 799 | GLU | -1 | -0.803 | -0.884 | 91.928 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 800 | VAL | 0 | -0.018 | -0.009 | 92.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 801 | TRP | 0 | -0.027 | -0.020 | 93.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 802 | ASN | 0 | 0.046 | 0.018 | 97.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 803 | GLY | 0 | 0.027 | 0.023 | 98.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 804 | LEU | 0 | -0.050 | -0.035 | 97.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 805 | GLY | 0 | 0.049 | 0.025 | 100.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 806 | GLU | -1 | -0.893 | -0.939 | 102.909 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 807 | VAL | 0 | -0.038 | -0.015 | 101.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 808 | LEU | 0 | -0.013 | -0.015 | 102.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 809 | GLN | 0 | -0.058 | -0.035 | 105.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 810 | ALA | 0 | -0.038 | -0.014 | 107.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 811 | GLN | 0 | -0.093 | -0.053 | 104.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 812 | GLY | 0 | 0.005 | 0.023 | 109.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 813 | ASN | 0 | -0.069 | -0.052 | 107.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 814 | ASP | -1 | -0.794 | -0.903 | 108.565 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 815 | ALA | 0 | -0.017 | 0.011 | 109.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 816 | ALA | 0 | 0.027 | 0.014 | 104.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 817 | ALA | 0 | 0.012 | 0.011 | 104.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 818 | THR | 0 | -0.011 | -0.033 | 104.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 819 | GLU | -1 | -0.899 | -0.933 | 101.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 820 | CYS | 0 | -0.087 | -0.028 | 100.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 821 | PHE | 0 | 0.040 | 0.003 | 100.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 822 | LEU | 0 | -0.023 | -0.005 | 102.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 823 | THR | 0 | 0.015 | -0.003 | 96.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 824 | ALA | 0 | -0.034 | -0.025 | 97.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 825 | LEU | 0 | 0.004 | 0.007 | 97.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 826 | GLU | -1 | -0.930 | -0.955 | 97.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 827 | LEU | 0 | -0.046 | -0.010 | 91.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 828 | GLU | -1 | -0.876 | -0.921 | 93.448 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 829 | ALA | 0 | 0.012 | 0.001 | 94.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 830 | SER | 0 | -0.039 | -0.020 | 91.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 831 | SER | 0 | 0.007 | -0.023 | 90.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 832 | PRO | 0 | -0.039 | -0.001 | 85.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 833 | ALA | 0 | -0.001 | -0.008 | 86.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 834 | VAL | 0 | -0.008 | -0.012 | 81.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 835 | PRO | 0 | 0.010 | 0.003 | 82.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 836 | PHE | 0 | 0.093 | 0.027 | 81.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 837 | THR | 0 | -0.007 | -0.006 | 78.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 838 | ILE | 0 | -0.067 | -0.016 | 76.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 839 | ILE | 0 | -0.027 | 0.005 | 74.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 840 | PRO | 0 | 0.005 | 0.011 | 70.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 841 | ARG | 1 | 0.910 | 0.957 | 71.782 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 842 | VAL | 0 | -0.002 | -0.003 | 65.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 843 | LEU | 0 | 0.033 | 0.031 | 63.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |