![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: LZZG9
Calculation Name: 4P0Q-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4P0Q
Chain ID: B
UniProt ID: Q96AY2
Base Structure: X-ray
Registration Date: 2023-06-21
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 | OptH |
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 | 290 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3355145.394772 |
---|---|
FMO2-HF: Nuclear repulsion | 3240400.594186 |
FMO2-HF: Total energy | -114744.800585 |
FMO2-MP2: Total energy | -115074.603408 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F025342/ligand_interaction/ligand_F025342.png)
Ligand Interaction
![ligand interaction](./Kdata/F025342/ligand_interaction/ligand_interaction_F025342.png)
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(B:233:ASN)
Summations of interaction energy for
fragment #1(B:233:ASN)
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. |
-4.927 | -0.017999999999998 | 1.2 | -2.058 | -4.051 | 0.007 |
Interaction energy analysis for fragmet #1(B:233:ASN)
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 | B | 235 | ALA | 0 | 0.065 | 0.032 | 3.513 | -3.128 | -1.103 | 0.001 | -0.886 | -1.140 | 0.001 |
4 | B | 236 | LEU | 0 | -0.007 | -0.002 | 2.666 | -3.103 | -0.584 | 1.199 | -1.060 | -2.658 | 0.006 |
5 | B | 237 | VAL | 0 | 0.004 | 0.007 | 4.188 | -0.762 | -0.397 | 0.000 | -0.112 | -0.253 | 0.000 |
6 | B | 238 | THR | 0 | 0.049 | 0.011 | 5.635 | 0.549 | 0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 239 | ARG | 1 | 1.048 | 1.022 | 7.673 | -1.465 | -1.465 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 240 | MET | 0 | 0.007 | 0.015 | 7.295 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 241 | LYS | 1 | 0.835 | 0.893 | 9.462 | 1.188 | 1.188 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 242 | ALA | 0 | 0.044 | 0.015 | 11.667 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 243 | GLN | 0 | 0.007 | 0.006 | 12.108 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 244 | ARG | 1 | 0.870 | 0.968 | 13.604 | 0.520 | 0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 245 | PRO | 0 | 0.054 | 0.005 | 16.601 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 246 | GLU | -1 | -1.003 | -0.986 | 19.290 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 247 | GLU | -1 | -0.929 | -0.971 | 17.057 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 248 | CYS | 0 | -0.059 | -0.009 | 17.719 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 249 | LEU | 0 | 0.046 | 0.006 | 18.722 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 250 | LYS | 1 | 0.918 | 0.980 | 19.562 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 251 | HIS | 0 | -0.063 | -0.030 | 15.544 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 252 | ILE | 0 | -0.007 | -0.008 | 18.284 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 253 | ILE | 0 | -0.033 | -0.011 | 21.056 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 254 | VAL | 0 | 0.018 | -0.011 | 23.995 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 255 | VAL | 0 | -0.009 | -0.002 | 26.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 256 | LEU | 0 | 0.011 | -0.002 | 28.922 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 257 | ASP | -1 | -0.741 | -0.887 | 32.671 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 258 | PRO | 0 | 0.006 | -0.001 | 35.585 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 259 | VAL | 0 | 0.008 | -0.007 | 38.305 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 260 | LEU | 0 | -0.007 | -0.002 | 35.667 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 261 | LEU | 0 | -0.020 | -0.013 | 35.609 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 262 | GLN | 0 | -0.078 | -0.030 | 39.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 263 | MET | 0 | -0.026 | 0.019 | 41.533 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 264 | GLU | -1 | -0.790 | -0.898 | 44.108 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 265 | GLY | 0 | 0.001 | -0.001 | 43.369 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 266 | GLY | 0 | -0.052 | -0.020 | 40.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 267 | GLY | 0 | 0.030 | 0.005 | 39.083 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 268 | GLN | 0 | -0.006 | -0.015 | 39.573 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 269 | LEU | 0 | -0.004 | 0.001 | 34.901 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 270 | LEU | 0 | 0.024 | 0.007 | 33.768 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 271 | GLY | 0 | -0.013 | -0.002 | 34.880 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 272 | ALA | 0 | 0.008 | 0.005 | 35.523 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 273 | LEU | 0 | 0.035 | -0.011 | 30.557 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 274 | GLN | 0 | -0.029 | -0.013 | 30.605 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 275 | THR | 0 | -0.087 | -0.028 | 31.855 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 276 | MET | 0 | -0.051 | -0.015 | 28.252 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 277 | GLU | -1 | -0.914 | -0.946 | 24.772 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 278 | CYS | 0 | -0.059 | -0.039 | 24.509 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 279 | ARG | 1 | 0.935 | 0.981 | 23.177 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 280 | CYS | 0 | 0.007 | 0.020 | 26.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 281 | VAL | 0 | -0.019 | -0.004 | 27.040 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 282 | ILE | 0 | -0.003 | -0.008 | 29.900 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 283 | GLU | -1 | -0.867 | -0.924 | 28.251 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 284 | ALA | 0 | -0.023 | -0.015 | 32.712 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 285 | GLN | 0 | 0.021 | 0.026 | 30.814 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 286 | ALA | 0 | -0.008 | 0.001 | 32.948 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 287 | VAL | 0 | -0.005 | -0.002 | 34.396 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 288 | PRO | 0 | 0.047 | 0.052 | 36.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 289 | CYS | 0 | -0.061 | -0.034 | 38.551 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 290 | SER | 0 | -0.018 | -0.038 | 34.040 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 291 | VAL | 0 | 0.009 | 0.001 | 30.140 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 292 | THR | 0 | -0.006 | -0.017 | 27.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 293 | TRP | 0 | 0.015 | -0.016 | 23.687 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 294 | ARG | 1 | 0.863 | 0.931 | 21.343 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 295 | ARG | 1 | 0.742 | 0.854 | 15.883 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 296 | ARG | 1 | 0.893 | 0.967 | 14.123 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 297 | ALA | 0 | -0.024 | -0.015 | 12.022 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 298 | GLY | 0 | 0.004 | 0.005 | 10.582 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 299 | PRO | 0 | -0.025 | -0.035 | 10.223 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 300 | SER | 0 | -0.068 | -0.033 | 13.046 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 301 | GLU | -1 | -0.907 | -0.950 | 16.213 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 302 | ASP | -1 | -0.799 | -0.872 | 18.631 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 303 | ARG | 1 | 0.866 | 0.925 | 19.340 | -0.688 | -0.688 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 304 | GLU | -1 | -0.864 | -0.922 | 19.691 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 305 | ASP | -1 | -1.005 | -1.013 | 14.950 | 0.922 | 0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 306 | TRP | 0 | -0.068 | -0.056 | 16.437 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 307 | VAL | 0 | -0.027 | -0.006 | 16.281 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 308 | GLU | -1 | -0.805 | -0.907 | 18.615 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 309 | GLU | -1 | -0.831 | -0.906 | 19.391 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 310 | PRO | 0 | -0.017 | 0.006 | 21.436 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 311 | THR | 0 | -0.090 | -0.070 | 24.488 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 312 | VAL | 0 | 0.011 | 0.008 | 27.289 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 313 | LEU | 0 | 0.032 | 0.034 | 30.463 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 314 | VAL | 0 | 0.002 | -0.003 | 33.186 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 315 | LEU | 0 | -0.030 | -0.008 | 36.462 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 316 | LEU | 0 | -0.010 | -0.008 | 39.427 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 317 | ARG | 1 | 0.870 | 0.923 | 42.926 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 318 | ALA | 0 | 0.074 | 0.028 | 46.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 319 | GLU | -1 | -0.939 | -0.975 | 48.780 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 320 | ALA | 0 | 0.037 | 0.008 | 47.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 321 | PHE | 0 | 0.006 | -0.003 | 46.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 322 | VAL | 0 | -0.011 | -0.018 | 48.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 323 | SER | 0 | -0.005 | -0.001 | 51.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 324 | MET | 0 | 0.007 | 0.006 | 44.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 325 | ILE | 0 | -0.051 | -0.026 | 49.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 326 | ASP | -1 | -0.972 | -0.968 | 52.049 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 327 | ASN | 0 | -0.067 | -0.030 | 52.295 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 328 | GLY | 0 | -0.051 | -0.011 | 53.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 329 | LYS | 1 | 0.790 | 0.870 | 51.331 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 342 | THR | 0 | 0.024 | 0.019 | 47.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 343 | LEU | 0 | 0.131 | 0.046 | 44.361 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 344 | GLN | 0 | 0.085 | 0.044 | 43.536 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 345 | GLY | 0 | -0.008 | 0.055 | 43.025 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 346 | PHE | 0 | 0.031 | 0.009 | 41.101 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 347 | VAL | 0 | 0.019 | 0.001 | 38.458 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 348 | THR | 0 | -0.038 | -0.067 | 38.558 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 349 | ASP | -1 | -0.875 | -0.903 | 38.759 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 350 | ILE | 0 | 0.028 | 0.013 | 35.150 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 351 | THR | 0 | -0.008 | -0.023 | 33.686 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 352 | ALA | 0 | -0.045 | -0.012 | 33.737 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 353 | LYS | 1 | 0.799 | 0.872 | 34.453 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 354 | THR | 0 | -0.098 | -0.058 | 30.814 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 355 | ALA | 0 | -0.007 | 0.002 | 29.334 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 356 | GLY | 0 | -0.006 | 0.011 | 28.533 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 357 | LYS | 1 | 0.857 | 0.933 | 25.511 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 358 | ALA | 0 | 0.009 | 0.004 | 28.146 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 359 | LEU | 0 | 0.028 | 0.025 | 29.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 360 | SER | 0 | -0.028 | -0.017 | 32.300 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 361 | LEU | 0 | -0.016 | -0.018 | 34.551 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 362 | VAL | 0 | -0.004 | -0.004 | 37.138 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 363 | ILE | 0 | 0.003 | 0.007 | 39.859 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 364 | VAL | 0 | 0.003 | -0.001 | 43.237 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 365 | ASP | -1 | -0.845 | -0.962 | 44.905 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 366 | GLN | 0 | -0.029 | 0.006 | 48.535 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 367 | GLU | -1 | -0.977 | -0.991 | 50.147 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 368 | LYS | 1 | 0.903 | 0.965 | 52.798 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 369 | CYS | 0 | -0.062 | -0.029 | 50.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 370 | PHE | 0 | 0.016 | 0.012 | 48.345 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 403 | VAL | 0 | 0.063 | 0.027 | 55.298 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 404 | SER | 0 | -0.084 | -0.090 | 56.875 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 405 | ARG | 1 | 0.947 | 0.960 | 51.033 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 406 | VAL | 0 | 0.016 | -0.006 | 53.126 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 407 | ASP | -1 | -0.792 | -0.839 | 53.390 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 408 | ALA | 0 | -0.023 | -0.013 | 50.058 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 409 | GLU | -1 | -0.938 | -0.979 | 48.536 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 410 | GLU | -1 | -0.861 | -0.914 | 48.560 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 411 | ALA | 0 | -0.014 | 0.009 | 48.624 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 412 | LEU | 0 | -0.009 | -0.013 | 43.931 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 413 | VAL | 0 | -0.016 | -0.004 | 44.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 414 | ASP | -1 | -0.829 | -0.908 | 44.747 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 415 | LEU | 0 | -0.014 | -0.011 | 40.984 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 416 | GLN | 0 | -0.016 | 0.037 | 39.805 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 417 | LEU | 0 | -0.052 | -0.019 | 40.213 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 418 | HIS | 0 | -0.079 | -0.032 | 42.080 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 419 | THR | 0 | -0.111 | -0.093 | 38.492 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 420 | GLU | -1 | -0.902 | -0.951 | 32.615 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 421 | ALA | 0 | -0.080 | -0.029 | 34.288 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 422 | GLN | 0 | 0.020 | 0.015 | 33.848 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 423 | ALA | 0 | 0.014 | -0.004 | 36.550 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 424 | GLN | 0 | -0.037 | -0.008 | 37.459 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 425 | ILE | 0 | 0.002 | -0.005 | 41.406 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 426 | VAL | 0 | -0.019 | 0.017 | 40.824 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 427 | GLN | 0 | 0.055 | 0.012 | 44.058 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 428 | SER | 0 | 0.011 | -0.003 | 45.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 429 | TRP | 0 | 0.081 | 0.025 | 41.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 430 | LYS | 1 | 0.888 | 0.958 | 40.930 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 431 | GLU | -1 | -0.863 | -0.926 | 40.425 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 432 | LEU | 0 | -0.017 | -0.004 | 38.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 433 | ALA | 0 | -0.006 | 0.005 | 37.536 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 434 | ASP | -1 | -0.829 | -0.923 | 35.866 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 435 | PHE | 0 | 0.020 | 0.008 | 34.534 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 436 | THR | 0 | 0.070 | 0.033 | 32.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 437 | CYS | 0 | -0.042 | 0.004 | 31.171 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 438 | ALA | 0 | -0.028 | -0.020 | 29.935 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 439 | PHE | 0 | -0.037 | -0.015 | 29.126 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 440 | THR | 0 | 0.009 | -0.022 | 26.247 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 441 | LYS | 1 | 0.940 | 0.971 | 25.481 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 442 | ALA | 0 | -0.021 | -0.005 | 24.762 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 443 | VAL | 0 | 0.035 | 0.021 | 22.969 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 444 | ALA | 0 | 0.006 | 0.012 | 21.083 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 445 | GLU | -1 | -0.878 | -0.960 | 19.758 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 446 | ALA | 0 | 0.000 | 0.005 | 20.029 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 447 | PRO | 0 | 0.010 | -0.002 | 15.851 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 448 | PHE | 0 | 0.023 | 0.010 | 14.849 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 449 | LYS | 1 | 0.927 | 0.961 | 16.272 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 450 | LYS | 1 | 0.976 | 0.998 | 17.393 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 451 | LEU | 0 | 0.058 | 0.028 | 10.538 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 452 | ARG | 1 | 0.900 | 0.943 | 14.566 | 0.520 | 0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 453 | ASP | -1 | -0.932 | -0.963 | 16.366 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 454 | GLU | -1 | -0.984 | -0.981 | 14.894 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 455 | THR | 0 | -0.089 | -0.030 | 12.662 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 456 | THR | 0 | -0.089 | -0.039 | 15.015 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 457 | PHE | 0 | 0.006 | 0.001 | 18.167 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 458 | SER | 0 | 0.044 | 0.006 | 21.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 459 | PHE | 0 | 0.029 | 0.001 | 23.966 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 460 | CYS | 0 | -0.096 | -0.040 | 22.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 461 | LEU | 0 | -0.019 | -0.012 | 25.867 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 462 | GLU | -1 | -0.928 | -0.944 | 28.186 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 463 | SER | 0 | -0.056 | -0.023 | 30.694 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 464 | ASP | -1 | -0.942 | -0.964 | 33.390 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 465 | TRP | 0 | 0.065 | 0.032 | 26.642 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 466 | ALA | 0 | -0.058 | -0.029 | 31.922 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 467 | GLY | 0 | 0.046 | 0.025 | 28.786 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 468 | GLY | 0 | -0.006 | -0.009 | 27.415 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 469 | VAL | 0 | -0.039 | -0.024 | 28.400 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 470 | LYS | 1 | 1.009 | 1.012 | 29.779 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 471 | VAL | 0 | -0.038 | -0.036 | 28.778 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 472 | ASP | -1 | -0.863 | -0.929 | 30.100 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 473 | LEU | 0 | 0.049 | 0.022 | 29.774 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 474 | ALA | 0 | -0.043 | -0.013 | 31.113 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 475 | GLY | 0 | 0.060 | 0.022 | 32.191 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 476 | ARG | 1 | 0.893 | 0.949 | 34.096 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 477 | GLY | 0 | 0.055 | 0.019 | 33.819 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 478 | LEU | 0 | 0.058 | 0.025 | 29.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 479 | ALA | 0 | 0.038 | 0.028 | 33.157 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 480 | LEU | 0 | -0.045 | -0.015 | 35.339 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 481 | VAL | 0 | 0.013 | -0.005 | 29.428 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 482 | TRP | 0 | 0.020 | -0.015 | 32.414 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 483 | ARG | 1 | 0.921 | 0.963 | 33.861 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 484 | ARG | 1 | 0.890 | 0.929 | 31.219 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 485 | GLN | 0 | 0.006 | 0.001 | 28.152 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 486 | ILE | 0 | 0.023 | 0.018 | 32.084 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 487 | GLN | 0 | -0.003 | -0.020 | 35.121 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 488 | GLN | 0 | -0.012 | 0.016 | 29.774 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 489 | LEU | 0 | -0.050 | 0.015 | 32.386 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 490 | ASN | 0 | 0.092 | 0.030 | 33.701 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 491 | ARG | 1 | 0.893 | 0.942 | 36.299 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 492 | VAL | 0 | 0.014 | 0.029 | 37.823 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 493 | SER | 0 | 0.042 | 0.018 | 39.550 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 494 | LEU | 0 | 0.016 | -0.008 | 40.603 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 495 | GLU | -1 | -0.909 | -0.966 | 42.084 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 496 | MET | 0 | 0.012 | 0.008 | 42.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 497 | ALA | 0 | 0.039 | 0.023 | 38.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 498 | SER | 0 | -0.051 | -0.033 | 40.545 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 499 | ALA | 0 | -0.019 | 0.003 | 42.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 500 | VAL | 0 | 0.015 | 0.008 | 39.258 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 501 | VAL | 0 | -0.018 | 0.001 | 37.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 502 | ASN | 0 | -0.028 | -0.028 | 40.503 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 503 | ALA | 0 | -0.035 | 0.004 | 43.732 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 504 | TYR | 0 | 0.018 | 0.008 | 39.611 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 505 | PRO | 0 | 0.024 | 0.032 | 39.034 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 506 | SER | 0 | -0.033 | -0.035 | 35.563 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 507 | PRO | 0 | 0.054 | 0.024 | 31.510 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 508 | GLN | 0 | 0.020 | 0.000 | 31.216 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 509 | LEU | 0 | 0.023 | 0.011 | 35.096 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 510 | LEU | 0 | 0.000 | 0.006 | 35.870 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 511 | VAL | 0 | -0.020 | -0.010 | 32.901 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 512 | GLN | 0 | 0.015 | 0.008 | 36.124 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 513 | ALA | 0 | 0.044 | 0.029 | 38.686 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 514 | TYR | 0 | -0.015 | -0.015 | 36.581 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 515 | GLN | 0 | -0.052 | -0.035 | 36.260 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 516 | GLN | 0 | -0.024 | -0.013 | 39.596 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 517 | CYS | 0 | -0.058 | 0.013 | 42.406 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 518 | PHE | 0 | 0.034 | 0.017 | 43.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 519 | SER | 0 | -0.040 | -0.024 | 43.453 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 520 | ASP | -1 | -0.844 | -0.929 | 38.549 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 521 | LYS | 1 | 0.943 | 0.967 | 41.589 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 522 | GLU | -1 | -0.860 | -0.946 | 44.570 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 523 | ARG | 1 | 0.912 | 0.964 | 38.651 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 524 | GLN | 0 | -0.018 | 0.005 | 41.041 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 525 | ASN | 0 | -0.013 | -0.002 | 42.062 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 526 | LEU | 0 | 0.044 | 0.042 | 42.019 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 527 | LEU | 0 | 0.004 | -0.011 | 39.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 528 | ALA | 0 | -0.019 | -0.008 | 44.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 529 | ASP | -1 | -0.883 | -0.929 | 46.639 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 530 | ILE | 0 | 0.002 | 0.010 | 44.243 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 531 | GLN | 0 | -0.027 | -0.037 | 48.224 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 532 | VAL | 0 | 0.006 | 0.006 | 46.502 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 533 | ARG | 1 | 0.949 | 0.976 | 48.824 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 534 | ARG | 1 | 0.841 | 0.938 | 49.905 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 535 | GLY | 0 | -0.075 | -0.061 | 50.456 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 536 | GLU | -1 | -0.791 | -0.861 | 50.235 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 537 | GLY | 0 | -0.019 | -0.033 | 51.970 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 538 | VAL | 0 | 0.017 | 0.021 | 54.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 539 | THR | 0 | 0.032 | 0.003 | 51.802 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 540 | SER | 0 | 0.009 | -0.004 | 53.797 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 541 | THR | 0 | -0.007 | 0.001 | 48.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 542 | SER | 0 | -0.001 | -0.007 | 51.489 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 543 | ARG | 1 | 0.995 | 0.997 | 50.884 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 544 | ARG | 1 | 0.874 | 0.933 | 49.854 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 545 | ILE | 0 | 0.022 | 0.036 | 43.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 546 | GLY | 0 | -0.005 | 0.008 | 45.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 547 | PRO | 0 | -0.016 | -0.032 | 45.180 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 548 | GLU | -1 | -0.890 | -0.937 | 41.410 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 549 | LEU | 0 | 0.071 | 0.028 | 38.947 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 550 | SER | 0 | -0.026 | -0.042 | 39.599 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 551 | ARG | 1 | 1.031 | 1.021 | 37.565 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 552 | ARG | 1 | 0.846 | 0.922 | 36.061 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 553 | ILE | 0 | 0.033 | 0.012 | 34.872 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 554 | TYR | 0 | 0.014 | 0.000 | 35.015 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 555 | LEU | 0 | -0.050 | -0.012 | 33.495 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 556 | GLN | 0 | -0.014 | -0.008 | 27.948 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 557 | MET | 0 | -0.076 | -0.036 | 30.033 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 558 | THR | 0 | -0.061 | -0.048 | 31.251 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 559 | THR | 0 | -0.013 | 0.013 | 28.679 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 560 | LEU | 0 | 0.046 | 0.010 | 25.954 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 561 | GLN | 0 | -0.064 | -0.028 | 25.324 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 562 | PRO | 0 | 0.024 | 0.009 | 21.956 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 563 | HIS | 0 | 0.004 | 0.000 | 21.233 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 564 | LEU | 0 | -0.008 | 0.016 | 26.170 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 565 | SER | 0 | 0.017 | 0.008 | 29.728 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 566 | LEU | 0 | -0.034 | -0.021 | 31.426 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |