FMODB ID: YNQN2
Calculation Name: 1HCI-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1HCI
Chain ID: A
UniProt ID: P35609
Base Structure: X-ray
Registration Date: 2023-09-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 475 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6278534.601804 |
---|---|
FMO2-HF: Nuclear repulsion | 6080995.225483 |
FMO2-HF: Total energy | -197539.376322 |
FMO2-MP2: Total energy | -198115.560343 |
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:272:SER)
Summations of interaction energy for
fragment #1(A:272:SER)
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. |
-7.096 | -3.566 | 0.09 | -1.643 | -1.976 | 0.009 |
Interaction energy analysis for fragmet #1(A:272:SER)
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 | 274 | ALA | 0 | 0.001 | -0.003 | 3.063 | -4.465 | -1.402 | 0.087 | -1.504 | -1.646 | 0.009 |
4 | A | 275 | VAL | 0 | 0.064 | 0.034 | 3.908 | -1.822 | -1.417 | 0.003 | -0.064 | -0.343 | 0.000 |
5 | A | 276 | ASN | 0 | -0.095 | -0.070 | 4.128 | -1.303 | -1.241 | 0.000 | -0.075 | 0.013 | 0.000 |
6 | A | 277 | GLN | 0 | 0.096 | 0.060 | 6.835 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 278 | GLU | -1 | -0.916 | -0.984 | 8.972 | 1.125 | 1.125 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 279 | ASN | 0 | -0.060 | -0.039 | 8.986 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 280 | GLU | -1 | -0.855 | -0.937 | 10.634 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 281 | ARG | 1 | 1.070 | 1.043 | 12.997 | -0.681 | -0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 282 | LEU | 0 | -0.077 | -0.040 | 13.036 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 283 | MET | 0 | -0.043 | -0.021 | 14.288 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 284 | GLU | -1 | -0.962 | -0.971 | 16.839 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 285 | GLU | -1 | -0.914 | -0.971 | 18.330 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 286 | TYR | 0 | 0.005 | -0.011 | 19.946 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 287 | GLU | -1 | -0.770 | -0.891 | 21.089 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 288 | ARG | 1 | 0.876 | 0.950 | 22.226 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 289 | LEU | 0 | 0.052 | 0.040 | 24.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 290 | ALA | 0 | -0.001 | -0.021 | 25.640 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 291 | SER | 0 | -0.064 | -0.034 | 27.263 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 292 | GLU | -1 | -0.881 | -0.942 | 28.608 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 293 | LEU | 0 | -0.012 | 0.014 | 30.460 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 294 | LEU | 0 | -0.013 | -0.007 | 30.348 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 295 | GLU | -1 | -0.832 | -0.929 | 33.645 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 296 | TRP | 0 | 0.084 | 0.037 | 35.502 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 297 | ILE | 0 | -0.054 | -0.027 | 36.373 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 298 | ARG | 1 | 0.879 | 0.949 | 35.487 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 299 | ARG | 1 | 0.876 | 0.934 | 38.228 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 300 | THR | 0 | 0.013 | -0.003 | 41.042 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 301 | ILE | 0 | -0.073 | -0.039 | 40.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 302 | PRO | 0 | 0.002 | 0.019 | 44.130 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 303 | TRP | 0 | 0.002 | 0.011 | 46.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 304 | LEU | 0 | 0.005 | 0.009 | 45.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 305 | GLU | -1 | -0.922 | -0.989 | 48.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 306 | ASN | 0 | -0.052 | -0.046 | 50.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 307 | ARG | 1 | 0.822 | 0.951 | 51.084 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 308 | THR | 0 | -0.041 | -0.032 | 56.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 309 | PRO | 0 | -0.022 | -0.007 | 58.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 310 | GLU | -1 | -0.870 | -0.936 | 60.587 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 311 | LYS | 1 | 0.894 | 0.948 | 62.847 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 312 | THR | 0 | 0.048 | 0.022 | 66.016 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 313 | MET | 0 | 0.051 | 0.069 | 64.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 314 | GLN | 0 | -0.039 | -0.021 | 63.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 315 | ALA | 0 | 0.025 | 0.015 | 61.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 316 | MET | 0 | -0.001 | 0.017 | 60.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 317 | GLN | 0 | 0.009 | -0.022 | 59.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 318 | LYS | 1 | 0.876 | 0.965 | 52.962 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 319 | LYS | 1 | 1.004 | 0.999 | 55.136 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 320 | LEU | 0 | 0.038 | 0.000 | 54.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 321 | GLU | -1 | -0.988 | -1.001 | 53.530 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 322 | ASP | -1 | -0.849 | -0.920 | 50.888 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 323 | PHE | 0 | -0.014 | -0.006 | 48.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 324 | ARG | 1 | 0.928 | 0.971 | 48.683 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 325 | ASP | -1 | -0.926 | -0.952 | 47.404 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 326 | TYR | 0 | -0.003 | -0.055 | 42.790 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 327 | ARG | 1 | 0.947 | 0.979 | 43.195 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 328 | ARG | 1 | 0.940 | 0.974 | 44.648 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 329 | LYS | 1 | 0.891 | 0.929 | 42.472 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 330 | HIS | 0 | -0.028 | -0.002 | 40.637 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 331 | LYS | 1 | 0.813 | 0.905 | 39.456 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 332 | PRO | 0 | -0.036 | -0.021 | 38.767 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 333 | PRO | 0 | 0.021 | 0.009 | 35.789 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 334 | LYS | 1 | 0.932 | 0.963 | 33.878 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 335 | VAL | 0 | -0.023 | 0.003 | 34.076 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 336 | GLN | 0 | -0.036 | -0.024 | 31.544 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 337 | GLU | -1 | -0.820 | -0.915 | 30.099 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 338 | LYS | 1 | 0.871 | 0.941 | 29.622 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 339 | CYS | 0 | -0.030 | -0.007 | 29.503 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 340 | GLN | 0 | 0.086 | 0.055 | 25.628 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 341 | LEU | 0 | 0.025 | 0.029 | 25.292 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 342 | GLU | -1 | -0.899 | -0.960 | 25.293 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 343 | ILE | 0 | -0.010 | -0.033 | 23.656 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 344 | ASN | 0 | -0.025 | -0.033 | 21.032 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 345 | PHE | 0 | -0.065 | 0.010 | 20.033 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 346 | ASN | 0 | 0.010 | -0.019 | 21.052 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 347 | THR | 0 | -0.008 | 0.002 | 17.285 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 348 | LEU | 0 | -0.015 | -0.010 | 14.179 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 349 | GLN | 0 | 0.002 | 0.013 | 16.526 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 350 | THR | 0 | -0.007 | -0.058 | 16.962 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 351 | LYS | 1 | 0.972 | 1.006 | 10.897 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 352 | LEU | 0 | -0.015 | 0.011 | 11.179 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 353 | ARG | 1 | 0.939 | 1.018 | 13.217 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 354 | ILE | 0 | -0.052 | -0.019 | 12.715 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 355 | SER | 0 | -0.041 | -0.040 | 8.425 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 356 | ASN | 0 | -0.048 | -0.024 | 9.243 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 357 | ARG | 1 | 0.972 | 0.987 | 7.500 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 358 | PRO | 0 | -0.043 | -0.016 | 11.408 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 359 | ALA | 0 | 0.013 | 0.012 | 14.234 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 360 | PHE | 0 | -0.006 | 0.018 | 15.941 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 361 | MET | 0 | -0.033 | 0.000 | 18.121 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 362 | PRO | 0 | -0.020 | -0.023 | 20.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 363 | SER | 0 | -0.029 | -0.038 | 22.283 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 364 | GLU | -1 | -0.830 | -0.901 | 25.336 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 365 | GLY | 0 | -0.047 | -0.016 | 28.129 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 366 | LYS | 1 | 0.763 | 0.864 | 25.416 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 367 | MET | 0 | 0.024 | 0.043 | 27.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 368 | VAL | 0 | 0.015 | 0.006 | 24.413 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 369 | SER | 0 | -0.001 | -0.004 | 27.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 370 | ASP | -1 | -0.829 | -0.921 | 30.751 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 371 | ILE | 0 | -0.067 | -0.011 | 29.321 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 372 | ALA | 0 | 0.013 | -0.011 | 33.126 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 373 | GLY | 0 | 0.013 | -0.012 | 35.185 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 374 | ALA | 0 | -0.037 | -0.036 | 35.457 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 375 | TRP | 0 | 0.013 | 0.003 | 36.290 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 376 | GLN | 0 | 0.044 | 0.037 | 38.231 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 377 | ARG | 1 | 0.886 | 0.968 | 37.602 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 378 | LEU | 0 | 0.019 | 0.004 | 39.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 379 | GLU | -1 | -0.811 | -0.911 | 41.456 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 380 | GLN | 0 | -0.038 | -0.020 | 43.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 381 | ALA | 0 | 0.050 | 0.040 | 45.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 382 | GLU | -1 | -0.823 | -0.899 | 45.369 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 383 | LYS | 1 | 0.929 | 0.964 | 48.088 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 384 | GLY | 0 | 0.064 | 0.040 | 50.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 385 | TYR | 0 | -0.023 | -0.007 | 51.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 386 | GLU | -1 | -0.902 | -0.963 | 52.410 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 387 | GLU | -1 | -0.919 | -0.964 | 54.190 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 388 | TRP | 0 | -0.009 | -0.011 | 56.135 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 389 | LEU | 0 | 0.012 | 0.001 | 53.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 390 | LEU | 0 | -0.024 | -0.004 | 57.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 391 | ASN | 0 | 0.001 | -0.005 | 59.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 392 | GLU | -1 | -0.838 | -0.918 | 61.432 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 393 | ILE | 0 | -0.059 | -0.013 | 60.030 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 394 | ARG | 1 | 0.927 | 0.942 | 61.664 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 395 | ARG | 1 | 0.907 | 0.972 | 65.992 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 396 | LEU | 0 | -0.012 | -0.019 | 64.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 397 | GLU | -1 | -0.890 | -0.962 | 67.599 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 398 | ARG | 1 | 0.792 | 0.871 | 69.318 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 399 | LEU | 0 | -0.004 | -0.011 | 70.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 400 | GLU | -1 | -0.851 | -0.934 | 69.089 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 401 | HIS | 0 | -0.057 | -0.008 | 73.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 402 | LEU | 0 | -0.021 | -0.014 | 75.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 403 | ALA | 0 | 0.020 | 0.021 | 76.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 404 | GLU | -1 | -0.873 | -0.938 | 77.574 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 405 | LYS | 1 | 0.922 | 0.966 | 79.301 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 406 | PHE | 0 | -0.001 | -0.006 | 81.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 407 | ARG | 1 | 0.971 | 0.984 | 81.255 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 408 | GLN | 0 | -0.019 | 0.015 | 82.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 409 | LYS | 1 | 0.906 | 0.948 | 85.392 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 410 | ALA | 0 | 0.055 | 0.016 | 86.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 411 | SER | 0 | -0.002 | -0.023 | 86.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 412 | THR | 0 | -0.082 | -0.032 | 89.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 413 | HIS | 0 | 0.061 | 0.038 | 91.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 414 | GLU | -1 | -0.766 | -0.873 | 90.358 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 415 | THR | 0 | -0.064 | -0.033 | 93.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 416 | TRP | 0 | -0.049 | -0.012 | 95.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 417 | ALA | 0 | 0.019 | 0.005 | 97.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 418 | TYR | 0 | 0.046 | 0.028 | 93.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 419 | GLY | 0 | -0.023 | -0.020 | 99.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 420 | LYS | 1 | 0.875 | 0.944 | 101.721 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 421 | GLU | -1 | -0.786 | -0.906 | 101.122 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 422 | GLN | 0 | -0.010 | -0.005 | 105.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 423 | ILE | 0 | -0.006 | -0.001 | 107.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 424 | LEU | 0 | -0.013 | -0.006 | 106.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 425 | LEU | 0 | -0.054 | -0.022 | 108.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 426 | GLN | 0 | -0.070 | -0.019 | 111.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 427 | LYS | 1 | 0.976 | 0.968 | 114.035 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 428 | ASP | -1 | -0.850 | -0.917 | 116.182 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 429 | TYR | 0 | -0.008 | -0.019 | 116.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 430 | GLU | -1 | -0.934 | -0.962 | 120.933 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 431 | SER | 0 | -0.081 | -0.054 | 123.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 432 | ALA | 0 | -0.033 | 0.007 | 123.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 433 | SER | 0 | 0.049 | 0.004 | 125.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 434 | LEU | 0 | 0.063 | 0.016 | 125.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 435 | THR | 0 | 0.008 | -0.005 | 125.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 436 | GLU | -1 | -0.832 | -0.901 | 123.240 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 437 | VAL | 0 | 0.046 | 0.012 | 121.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 438 | ARG | 1 | 0.904 | 0.964 | 120.575 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 439 | ALA | 0 | -0.056 | -0.017 | 120.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 440 | LEU | 0 | -0.038 | -0.025 | 117.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 441 | LEU | 0 | 0.031 | 0.022 | 115.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 442 | ARG | 1 | 0.985 | 0.993 | 115.551 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 443 | LYS | 1 | 0.882 | 0.931 | 113.436 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 444 | HIS | 0 | -0.035 | -0.011 | 110.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 445 | GLU | -1 | -0.909 | -0.938 | 110.763 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 446 | ALA | 0 | -0.035 | -0.016 | 109.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 447 | PHE | 0 | -0.015 | -0.012 | 105.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 448 | GLU | -1 | -0.761 | -0.889 | 105.951 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 449 | SER | 0 | -0.059 | -0.018 | 105.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 450 | ASP | -1 | -0.911 | -0.979 | 102.209 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 451 | LEU | 0 | -0.038 | -0.011 | 101.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 452 | ALA | 0 | 0.017 | -0.015 | 100.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 453 | ALA | 0 | -0.031 | 0.005 | 99.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 454 | HIS | 0 | -0.079 | -0.054 | 96.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 455 | GLN | 0 | 0.006 | -0.005 | 95.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 456 | ASP | -1 | -0.821 | -0.915 | 91.631 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 457 | ARG | 1 | 0.873 | 0.945 | 90.804 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 458 | VAL | 0 | 0.014 | 0.012 | 90.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 459 | GLU | -1 | -0.817 | -0.884 | 90.466 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 460 | GLN | 0 | -0.105 | -0.072 | 87.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 461 | ILE | 0 | -0.063 | -0.009 | 86.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 462 | ALA | 0 | 0.049 | 0.019 | 85.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 463 | ALA | 0 | 0.006 | 0.001 | 84.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 464 | ILE | 0 | -0.044 | -0.031 | 80.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 465 | ALA | 0 | 0.004 | -0.003 | 80.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 466 | GLN | 0 | -0.018 | -0.006 | 80.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 467 | GLU | -1 | -0.739 | -0.836 | 76.250 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 468 | LEU | 0 | -0.072 | -0.058 | 76.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 469 | ASN | 0 | -0.045 | -0.045 | 76.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 470 | GLU | -1 | -0.915 | -0.950 | 75.311 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 471 | LEU | 0 | -0.095 | -0.039 | 71.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 472 | ASP | -1 | -0.904 | -0.954 | 70.795 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 473 | TYR | 0 | -0.038 | -0.015 | 72.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 474 | HIS | 0 | -0.029 | -0.030 | 71.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 475 | ASP | -1 | -0.890 | -0.953 | 73.495 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 476 | ALA | 0 | -0.008 | 0.003 | 76.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 477 | VAL | 0 | 0.035 | 0.019 | 78.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 478 | ASN | 0 | 0.039 | 0.012 | 80.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 479 | VAL | 0 | -0.073 | -0.029 | 80.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 480 | ASN | 0 | 0.049 | 0.036 | 81.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 481 | ASP | -1 | -0.892 | -0.931 | 84.422 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 482 | ARG | 1 | 0.727 | 0.829 | 85.381 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 483 | CYS | 0 | 0.001 | -0.004 | 86.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 484 | GLN | 0 | -0.014 | 0.016 | 88.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 485 | LYS | 1 | 0.929 | 0.963 | 90.234 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 486 | ILE | 0 | -0.028 | -0.005 | 89.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 487 | CYS | 0 | -0.004 | -0.014 | 91.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 488 | ASP | -1 | -0.818 | -0.896 | 93.915 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 489 | GLN | 0 | -0.146 | -0.082 | 96.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 490 | TRP | 0 | -0.006 | -0.002 | 96.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 491 | ASP | -1 | -0.824 | -0.901 | 97.636 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 492 | ARG | 1 | 0.808 | 0.907 | 98.541 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 493 | LEU | 0 | -0.018 | -0.028 | 99.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 494 | GLY | 0 | 0.047 | 0.037 | 102.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 495 | THR | 0 | -0.015 | -0.024 | 103.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 496 | LEU | 0 | -0.064 | -0.030 | 105.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 497 | THR | 0 | 0.015 | -0.005 | 106.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 498 | GLN | 0 | 0.031 | 0.002 | 108.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 499 | LYS | 1 | 0.903 | 0.965 | 110.317 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 500 | ARG | 1 | 0.913 | 0.964 | 111.713 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 501 | ARG | 1 | 0.837 | 0.930 | 112.733 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 502 | GLU | -1 | -0.857 | -0.930 | 113.828 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 503 | ALA | 0 | -0.059 | -0.025 | 116.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 504 | LEU | 0 | -0.035 | -0.021 | 115.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 505 | GLU | -1 | -0.814 | -0.902 | 117.331 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 506 | ARG | 1 | 0.875 | 0.950 | 120.270 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 507 | MET | 0 | -0.084 | -0.047 | 122.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 508 | GLU | -1 | -0.847 | -0.934 | 122.711 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 509 | LYS | 1 | 0.980 | 1.007 | 124.591 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 510 | LEU | 0 | -0.085 | -0.044 | 126.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 511 | LEU | 0 | 0.027 | 0.016 | 126.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 512 | GLU | -1 | -0.916 | -0.965 | 127.101 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 513 | THR | 0 | -0.027 | -0.006 | 130.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 514 | ILE | 0 | -0.040 | -0.037 | 131.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 515 | ASP | -1 | -0.874 | -0.909 | 133.034 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 516 | GLN | 0 | 0.049 | 0.026 | 134.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 517 | LEU | 0 | -0.028 | -0.004 | 136.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 518 | HIS | 0 | -0.032 | -0.040 | 136.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 519 | LEU | 0 | 0.047 | 0.019 | 137.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 520 | GLU | -1 | -0.948 | -0.976 | 140.395 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 521 | PHE | 0 | -0.006 | -0.018 | 142.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 522 | ALA | 0 | 0.022 | 0.012 | 143.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 523 | LYS | 1 | 0.885 | 0.951 | 144.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 524 | ARG | 1 | 0.787 | 0.865 | 146.226 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 525 | ALA | 0 | 0.061 | 0.036 | 148.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 526 | ALA | 0 | 0.030 | 0.014 | 149.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 527 | PRO | 0 | -0.048 | -0.021 | 150.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 528 | PHE | 0 | 0.055 | 0.020 | 152.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 529 | ASN | 0 | 0.018 | 0.006 | 153.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 530 | ASN | 0 | -0.018 | -0.011 | 154.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 531 | TRP | 0 | 0.011 | 0.016 | 157.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 532 | MET | 0 | -0.039 | -0.001 | 155.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 533 | GLU | -1 | -0.870 | -0.924 | 158.341 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 534 | GLY | 0 | 0.035 | 0.015 | 161.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 535 | ALA | 0 | 0.028 | 0.015 | 163.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 536 | MET | 0 | -0.080 | -0.052 | 162.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 537 | GLU | -1 | -0.936 | -0.941 | 165.316 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 538 | ASP | -1 | -0.796 | -0.896 | 167.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 539 | LEU | 0 | -0.168 | -0.109 | 167.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 540 | GLN | 0 | -0.147 | -0.101 | 168.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 541 | ASP | -1 | -0.922 | -0.928 | 172.182 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 542 | MET | 0 | -0.039 | -0.024 | 173.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 543 | PHE | 0 | 0.012 | 0.005 | 177.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 544 | ILE | 0 | -0.038 | -0.025 | 179.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 545 | VAL | 0 | -0.045 | -0.010 | 183.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 546 | HIS | 0 | -0.027 | -0.024 | 185.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 547 | SER | 0 | 0.029 | 0.020 | 188.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 548 | ILE | 0 | 0.024 | -0.006 | 187.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 549 | GLU | -1 | -0.937 | -0.970 | 185.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 550 | GLU | -1 | -0.808 | -0.918 | 184.152 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 551 | ILE | 0 | -0.002 | 0.001 | 181.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 552 | GLN | 0 | -0.015 | -0.008 | 182.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 553 | SER | 0 | 0.003 | 0.027 | 179.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 554 | LEU | 0 | 0.016 | 0.002 | 177.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 555 | ILE | 0 | -0.012 | -0.002 | 176.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 556 | THR | 0 | -0.015 | -0.012 | 176.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 557 | ALA | 0 | -0.001 | 0.003 | 173.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 558 | HIS | 0 | 0.037 | 0.007 | 172.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 559 | GLU | -1 | -0.971 | -0.979 | 172.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 560 | GLN | 0 | 0.003 | -0.017 | 170.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 561 | PHE | 0 | 0.032 | 0.031 | 165.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 562 | LYS | 1 | 0.871 | 0.943 | 167.340 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 563 | ALA | 0 | -0.017 | -0.001 | 167.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 564 | THR | 0 | -0.050 | -0.049 | 163.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 565 | LEU | 0 | -0.015 | -0.013 | 162.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 566 | PRO | 0 | -0.045 | -0.012 | 162.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 567 | GLU | -1 | -0.925 | -0.977 | 158.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 568 | ALA | 0 | 0.043 | 0.047 | 157.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 569 | ASP | -1 | -0.846 | -0.937 | 157.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 570 | GLY | 0 | -0.049 | -0.011 | 155.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 571 | GLU | -1 | -0.771 | -0.897 | 151.641 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 572 | ARG | 1 | 0.868 | 0.942 | 152.446 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 573 | GLN | 0 | -0.024 | -0.027 | 152.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 574 | SER | 0 | -0.013 | -0.002 | 149.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 575 | ILE | 0 | 0.013 | 0.010 | 147.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 576 | MET | 0 | -0.053 | -0.093 | 147.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 577 | ALA | 0 | -0.042 | 0.011 | 146.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 578 | ILE | 0 | 0.013 | 0.009 | 142.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 579 | GLN | 0 | -0.031 | -0.010 | 142.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 580 | ASN | 0 | -0.037 | -0.045 | 142.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 581 | GLU | -1 | -0.902 | -0.952 | 137.328 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 582 | VAL | 0 | 0.035 | 0.024 | 137.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 583 | GLU | -1 | -0.904 | -0.972 | 137.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 584 | LYS | 1 | 0.925 | 0.987 | 134.798 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 585 | VAL | 0 | -0.068 | -0.064 | 133.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 586 | ILE | 0 | 0.000 | 0.011 | 132.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 587 | GLN | 0 | 0.024 | -0.007 | 132.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 588 | SER | 0 | -0.064 | -0.010 | 132.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 589 | TYR | 0 | -0.075 | -0.058 | 127.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 590 | ASN | 0 | -0.036 | -0.009 | 126.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 591 | ILE | 0 | 0.022 | 0.034 | 128.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 592 | ARG | 1 | 0.871 | 0.938 | 127.323 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 593 | ILE | 0 | 0.048 | 0.018 | 128.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 594 | SER | 0 | -0.006 | -0.003 | 132.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 595 | SER | 0 | 0.066 | 0.015 | 136.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 596 | SER | 0 | -0.054 | -0.009 | 138.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 597 | ASN | 0 | 0.033 | 0.034 | 138.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 598 | PRO | 0 | 0.002 | 0.016 | 136.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 599 | TYR | 0 | -0.082 | -0.060 | 135.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 600 | SER | 0 | -0.030 | -0.019 | 141.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 601 | THR | 0 | -0.013 | 0.002 | 144.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 602 | VAL | 0 | -0.054 | -0.006 | 146.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 603 | THR | 0 | 0.017 | 0.027 | 147.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 604 | MET | 0 | 0.089 | 0.085 | 147.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 605 | ASP | -1 | -0.900 | -0.963 | 148.365 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 606 | GLU | -1 | -0.907 | -0.977 | 151.113 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 607 | LEU | 0 | -0.001 | -0.003 | 150.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 608 | ARG | 1 | 0.918 | 0.957 | 153.620 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 609 | THR | 0 | -0.021 | -0.001 | 155.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 610 | LYS | 1 | 0.841 | 0.915 | 155.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 611 | TRP | 0 | 0.056 | 0.023 | 157.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 612 | ASP | -1 | -0.923 | -0.970 | 159.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 613 | LYS | 1 | 0.931 | 0.970 | 161.652 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 614 | VAL | 0 | 0.045 | 0.031 | 162.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 615 | LYS | 1 | 0.947 | 0.969 | 163.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 616 | GLN | 0 | -0.014 | -0.022 | 165.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 617 | LEU | 0 | 0.007 | 0.004 | 167.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 618 | VAL | 0 | -0.035 | -0.005 | 167.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 619 | PRO | 0 | -0.048 | -0.012 | 170.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 620 | ILE | 0 | 0.018 | 0.011 | 171.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 621 | ARG | 1 | 0.921 | 0.981 | 172.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 622 | ASP | -1 | -0.840 | -0.916 | 174.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 623 | GLN | 0 | -0.074 | -0.043 | 176.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 624 | SER | 0 | -0.007 | 0.011 | 177.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 625 | LEU | 0 | -0.003 | -0.027 | 176.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 626 | GLN | 0 | -0.063 | -0.032 | 180.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 627 | GLU | -1 | -0.886 | -0.950 | 182.472 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 628 | GLU | -1 | -0.789 | -0.903 | 183.454 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 629 | LEU | 0 | -0.022 | 0.013 | 184.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 630 | ALA | 0 | -0.032 | -0.013 | 186.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 631 | ARG | 1 | 0.938 | 0.973 | 188.265 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 632 | GLN | 0 | 0.010 | 0.003 | 187.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 633 | HIS | 0 | 0.019 | -0.002 | 188.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 634 | ALA | 0 | -0.083 | -0.077 | 192.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 635 | ASN | 0 | 0.034 | 0.020 | 192.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 636 | GLU | -1 | -0.883 | -0.947 | 194.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 637 | ARG | 1 | 0.867 | 0.969 | 194.166 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 638 | LEU | 0 | 0.061 | 0.044 | 198.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 639 | ARG | 1 | 0.882 | 0.955 | 193.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 640 | ARG | 1 | 0.938 | 0.968 | 198.590 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 641 | GLN | 0 | -0.019 | -0.023 | 201.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 642 | PHE | 0 | 0.033 | 0.025 | 203.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 643 | ALA | 0 | 0.023 | -0.005 | 204.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 644 | ALA | 0 | -0.075 | -0.029 | 205.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 645 | GLN | 0 | 0.010 | -0.003 | 207.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 646 | ALA | 0 | 0.051 | 0.041 | 208.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 647 | ASN | 0 | -0.033 | -0.030 | 206.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 648 | ALA | 0 | -0.037 | -0.002 | 211.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 649 | ILE | 0 | 0.027 | -0.009 | 213.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 650 | GLY | 0 | 0.004 | 0.010 | 214.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 651 | PRO | 0 | -0.016 | -0.009 | 214.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 652 | TRP | 0 | 0.018 | 0.021 | 217.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 653 | ILE | 0 | 0.000 | -0.012 | 217.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 654 | GLN | 0 | -0.023 | -0.004 | 219.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 655 | ASN | 0 | -0.061 | -0.049 | 221.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 656 | LYS | 1 | 0.881 | 0.951 | 223.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 657 | MET | 0 | -0.016 | 0.004 | 223.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 658 | GLU | -1 | -0.857 | -0.909 | 225.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 659 | GLU | -1 | -0.865 | -0.946 | 227.132 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 660 | ILE | 0 | -0.013 | -0.014 | 228.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 661 | ALA | 0 | -0.046 | -0.018 | 229.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 662 | ARG | 1 | 0.846 | 0.947 | 228.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 663 | SER | 0 | 0.039 | 0.027 | 233.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 664 | SER | 0 | -0.038 | -0.049 | 236.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 665 | ILE | 0 | -0.063 | -0.045 | 236.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 666 | GLN | 0 | -0.012 | -0.004 | 238.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 667 | ILE | 0 | -0.038 | -0.020 | 241.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 668 | THR | 0 | -0.072 | -0.047 | 244.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 669 | GLY | 0 | 0.025 | 0.020 | 245.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 670 | ALA | 0 | -0.032 | -0.036 | 243.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 671 | LEU | 0 | 0.038 | 0.040 | 243.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 672 | GLU | -1 | -0.749 | -0.846 | 243.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 673 | ASP | -1 | -0.842 | -0.931 | 242.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 674 | GLN | 0 | -0.024 | -0.009 | 237.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 675 | MET | 0 | -0.048 | -0.022 | 238.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 676 | ASN | 0 | -0.045 | -0.031 | 238.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 677 | GLN | 0 | 0.023 | 0.033 | 234.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 678 | LEU | 0 | 0.023 | 0.018 | 234.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 679 | LYS | 1 | 0.921 | 0.960 | 233.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 680 | GLN | 0 | 0.010 | 0.014 | 232.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 681 | TYR | 0 | -0.011 | -0.013 | 230.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 682 | GLU | -1 | -0.894 | -0.945 | 229.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 683 | HIS | 0 | 0.000 | -0.001 | 229.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 684 | ASN | 0 | -0.007 | -0.020 | 226.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 685 | ILE | 0 | 0.028 | 0.009 | 224.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 686 | ILE | 0 | -0.015 | -0.001 | 224.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 687 | ASN | 0 | -0.073 | -0.041 | 224.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 688 | TYR | 0 | 0.002 | 0.008 | 217.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 689 | LYS | 1 | 0.980 | 0.989 | 219.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 690 | ASN | 0 | -0.011 | -0.003 | 217.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 691 | ASN | 0 | -0.065 | -0.028 | 215.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 692 | ILE | 0 | 0.030 | 0.007 | 214.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 693 | ASP | -1 | -0.901 | -0.949 | 214.026 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 694 | LYS | 1 | 0.910 | 0.957 | 210.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 695 | LEU | 0 | 0.029 | 0.018 | 209.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 696 | GLU | -1 | -0.771 | -0.891 | 209.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 697 | GLY | 0 | -0.004 | -0.002 | 208.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 698 | ASP | -1 | -0.876 | -0.950 | 205.374 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 699 | HIS | 0 | -0.054 | -0.027 | 204.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 700 | GLN | 0 | -0.043 | -0.012 | 203.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 701 | LEU | 0 | 0.008 | 0.003 | 201.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 702 | ILE | 0 | -0.011 | -0.002 | 199.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 703 | GLN | 0 | -0.025 | -0.021 | 198.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 704 | GLU | -1 | -0.932 | -0.961 | 198.601 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 705 | ALA | 0 | -0.047 | -0.008 | 195.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 706 | LEU | 0 | -0.116 | -0.066 | 192.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 707 | VAL | 0 | -0.014 | 0.016 | 194.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 708 | PHE | 0 | 0.009 | -0.015 | 196.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 709 | ASP | -1 | -0.897 | -0.945 | 195.536 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 710 | ASN | 0 | 0.031 | -0.027 | 198.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 711 | LYS | 1 | 0.973 | 0.994 | 194.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 712 | HIS | 0 | -0.069 | -0.033 | 197.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 713 | THR | 0 | 0.006 | 0.000 | 202.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 714 | ASN | 0 | -0.013 | 0.008 | 204.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 715 | TYR | 0 | 0.018 | 0.016 | 206.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 716 | THR | 0 | 0.029 | 0.010 | 206.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 717 | MET | 0 | 0.036 | 0.028 | 207.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 718 | GLU | -1 | -0.879 | -0.927 | 209.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 719 | HIS | 0 | -0.067 | -0.029 | 209.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 720 | ILE | 0 | -0.012 | -0.010 | 211.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 721 | ARG | 1 | 0.824 | 0.901 | 209.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 722 | VAL | 0 | 0.069 | 0.039 | 215.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 723 | GLY | 0 | 0.007 | 0.005 | 216.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 724 | TRP | 0 | 0.015 | -0.013 | 218.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 725 | GLU | -1 | -0.918 | -0.968 | 217.937 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 726 | LEU | 0 | -0.040 | -0.012 | 221.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 727 | LEU | 0 | 0.009 | 0.001 | 222.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 728 | LEU | 0 | -0.016 | -0.025 | 223.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 729 | THR | 0 | -0.033 | -0.007 | 225.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 730 | THR | 0 | -0.023 | -0.016 | 226.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 731 | ILE | 0 | 0.021 | 0.020 | 227.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 732 | ALA | 0 | -0.008 | 0.018 | 230.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 733 | ARG | 1 | 0.940 | 0.975 | 229.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 734 | THR | 0 | 0.032 | 0.006 | 232.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 735 | ILE | 0 | -0.009 | -0.026 | 234.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 736 | ASN | 0 | -0.027 | -0.004 | 236.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 737 | GLU | -1 | -0.920 | -0.975 | 235.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 738 | VAL | 0 | -0.012 | -0.011 | 238.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 739 | GLU | -1 | -0.954 | -0.985 | 240.306 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 740 | THR | 0 | -0.013 | -0.003 | 242.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 741 | GLN | 0 | 0.044 | 0.010 | 241.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 742 | ILE | 0 | -0.084 | -0.024 | 245.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 743 | LEU | 0 | -0.022 | -0.013 | 246.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 744 | THR | 0 | -0.109 | -0.038 | 247.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 745 | ARG | 1 | 0.809 | 0.884 | 249.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 746 | ASP | -1 | -0.968 | -0.962 | 250.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |