FMODB ID: QYN6Y
Calculation Name: 4IUJ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4IUJ
Chain ID: A
UniProt ID: P15659
Base Structure: X-ray
Registration Date: 2023-06-22
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 | OptHSide |
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 | 414 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7478827.791374 |
---|---|
FMO2-HF: Nuclear repulsion | 7309360.244972 |
FMO2-HF: Total energy | -169467.546402 |
FMO2-MP2: Total energy | -169951.572175 |
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:266:ARG)
Summations of interaction energy for
fragment #1(A:266:ARG)
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. |
-228.535 | -223.582 | 49.676 | -23.717 | -30.91 | -0.259 |
Interaction energy analysis for fragmet #1(A:266:ARG)
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 | 268 | LEU | 0 | -0.001 | -0.007 | 2.032 | -30.516 | -26.813 | 5.258 | -4.269 | -4.692 | -0.047 |
4 | A | 269 | ARG | 1 | 0.802 | 0.869 | 2.150 | 81.150 | 83.410 | 4.276 | -2.126 | -4.410 | -0.010 |
5 | A | 270 | LEU | 0 | -0.019 | -0.018 | 4.263 | 2.000 | 2.074 | -0.001 | -0.008 | -0.065 | 0.000 |
6 | A | 271 | PRO | 0 | -0.001 | 0.007 | 7.659 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 272 | ASP | -1 | -0.895 | -0.935 | 10.038 | -23.101 | -23.101 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 273 | GLY | 0 | -0.004 | -0.021 | 12.867 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 274 | PRO | 0 | -0.023 | 0.005 | 16.365 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 275 | PRO | 0 | 0.036 | 0.024 | 18.220 | -0.616 | -0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 276 | CYS | 0 | -0.034 | -0.002 | 17.309 | 0.599 | 0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 277 | SER | 0 | 0.011 | -0.001 | 19.277 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 278 | GLN | 0 | 0.078 | 0.062 | 22.327 | -0.794 | -0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 279 | ARG | 1 | 0.745 | 0.856 | 20.257 | 14.450 | 14.450 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 280 | SER | 0 | -0.003 | 0.005 | 25.073 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 281 | LYS | 1 | 0.783 | 0.864 | 27.040 | 10.973 | 10.973 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 282 | PHE | 0 | -0.011 | -0.002 | 30.405 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 283 | LEU | 0 | -0.012 | 0.011 | 30.424 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 284 | LEU | 0 | 0.007 | 0.002 | 26.717 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 285 | MET | 0 | -0.033 | -0.011 | 28.215 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 286 | ASP | -1 | -0.791 | -0.872 | 30.079 | -10.080 | -10.080 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 287 | ALA | 0 | -0.034 | 0.015 | 33.091 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 288 | LEU | 0 | 0.022 | 0.010 | 35.758 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 289 | LYS | 1 | 0.811 | 0.884 | 38.589 | 8.146 | 8.146 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 290 | LEU | 0 | 0.005 | 0.025 | 42.243 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 291 | SER | 0 | 0.003 | -0.041 | 45.049 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 292 | ILE | 0 | -0.032 | -0.005 | 47.524 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 293 | GLU | -1 | -0.779 | -0.890 | 49.783 | -6.483 | -6.483 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 294 | ASP | -1 | -0.826 | -0.914 | 52.222 | -5.828 | -5.828 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 295 | PRO | 0 | -0.040 | 0.000 | 51.656 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 296 | SER | 0 | 0.031 | -0.005 | 54.881 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 297 | HIS | 0 | -0.055 | -0.016 | 53.677 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 298 | GLU | -1 | -0.797 | -0.899 | 58.650 | -5.305 | -5.305 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 299 | GLY | 0 | 0.031 | 0.009 | 57.532 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 300 | GLU | -1 | -0.933 | -0.980 | 52.358 | -6.250 | -6.250 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 301 | GLY | 0 | 0.012 | 0.010 | 51.390 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 302 | ILE | 0 | -0.070 | -0.024 | 50.976 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 303 | PRO | 0 | 0.035 | 0.005 | 46.850 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 304 | LEU | 0 | 0.002 | 0.007 | 48.947 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 305 | TYR | 0 | 0.000 | -0.026 | 50.711 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 306 | ASP | -1 | -0.769 | -0.884 | 49.499 | -6.254 | -6.254 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 307 | ALA | 0 | 0.018 | 0.003 | 47.836 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 308 | ILE | 0 | 0.036 | 0.021 | 49.124 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 309 | LYS | 1 | 0.931 | 0.976 | 52.376 | 5.683 | 5.683 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 310 | CYS | 0 | -0.035 | -0.022 | 48.036 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 311 | MET | 0 | -0.023 | 0.010 | 48.057 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 312 | ARG | 1 | 0.792 | 0.848 | 50.463 | 5.622 | 5.622 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 313 | THR | 0 | -0.103 | -0.050 | 50.562 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 314 | PHE | 0 | -0.031 | -0.014 | 47.785 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 315 | PHE | 0 | 0.011 | -0.009 | 51.614 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 316 | GLY | 0 | 0.016 | 0.017 | 50.512 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 317 | TRP | 0 | -0.015 | -0.015 | 45.856 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 318 | LYS | 1 | 0.805 | 0.905 | 46.172 | 6.927 | 6.927 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 319 | GLU | -1 | -0.804 | -0.883 | 49.737 | -6.268 | -6.268 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 320 | PRO | 0 | -0.051 | -0.008 | 45.696 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 321 | ASN | 0 | 0.013 | 0.000 | 43.760 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 322 | VAL | 0 | -0.009 | -0.018 | 39.179 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 323 | VAL | 0 | -0.036 | -0.010 | 38.121 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 324 | LYS | 1 | 0.809 | 0.898 | 31.037 | 9.733 | 9.733 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 325 | PRO | 0 | 0.018 | 0.005 | 35.748 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 326 | HIS | 0 | 0.048 | 0.049 | 30.606 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 327 | GLU | -1 | -0.827 | -0.924 | 30.444 | -9.908 | -9.908 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 328 | LYS | 1 | 0.881 | 0.936 | 26.560 | 11.421 | 11.421 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 329 | GLY | 0 | 0.023 | 0.032 | 33.047 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 330 | ILE | 0 | -0.041 | -0.012 | 35.942 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 331 | ASN | 0 | 0.076 | 0.018 | 36.853 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 332 | PRO | 0 | 0.041 | 0.018 | 40.248 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 333 | ASN | 0 | 0.026 | 0.016 | 42.015 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 334 | TYR | 0 | -0.005 | -0.005 | 34.877 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 335 | LEU | 0 | 0.022 | 0.016 | 41.479 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 336 | LEU | 0 | -0.016 | -0.012 | 44.213 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 337 | SER | 0 | -0.037 | -0.038 | 43.105 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 338 | TRP | 0 | 0.044 | 0.016 | 43.543 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 339 | LYS | 1 | 0.849 | 0.895 | 45.371 | 6.353 | 6.353 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 340 | GLN | 0 | -0.016 | 0.010 | 48.286 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 341 | VAL | 0 | 0.008 | 0.000 | 45.271 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 342 | LEU | 0 | 0.001 | 0.004 | 48.460 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 343 | ALA | 0 | 0.014 | 0.009 | 50.735 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 344 | GLU | -1 | -0.765 | -0.869 | 51.560 | -5.991 | -5.991 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 345 | LEU | 0 | -0.024 | -0.024 | 49.020 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 346 | GLN | 0 | -0.020 | -0.004 | 53.453 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 347 | ASP | -1 | -0.899 | -0.967 | 56.433 | -5.491 | -5.491 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 348 | ILE | 0 | -0.049 | -0.037 | 53.667 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 349 | GLU | -1 | -0.826 | -0.859 | 56.885 | -5.523 | -5.523 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 350 | ASN | 0 | -0.039 | -0.012 | 59.457 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 351 | GLU | -1 | -0.934 | -0.959 | 58.835 | -5.367 | -5.367 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 352 | GLU | -1 | -0.945 | -0.961 | 62.907 | -4.740 | -4.740 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 353 | LYS | 1 | 0.854 | 0.908 | 60.824 | 5.230 | 5.230 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 354 | ILE | 0 | 0.027 | 0.027 | 56.002 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 355 | PRO | 0 | 0.035 | 0.048 | 55.638 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 356 | ARG | 1 | 0.973 | 0.972 | 53.119 | 5.852 | 5.852 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 357 | THR | 0 | -0.017 | -0.014 | 50.318 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 358 | LYS | 1 | 0.935 | 0.983 | 50.795 | 5.859 | 5.859 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 359 | ASN | 0 | -0.036 | -0.031 | 50.018 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 360 | MET | 0 | -0.040 | 0.005 | 47.272 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 361 | LYS | 1 | 0.857 | 0.910 | 50.301 | 5.785 | 5.785 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 362 | LYS | 1 | 0.896 | 0.949 | 48.972 | 6.336 | 6.336 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 363 | THR | 0 | -0.039 | -0.047 | 48.766 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 364 | SER | 0 | 0.026 | 0.010 | 48.053 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 365 | GLN | 0 | 0.030 | 0.011 | 45.027 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 366 | LEU | 0 | 0.024 | 0.012 | 43.644 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 367 | LYS | 1 | 0.909 | 0.956 | 43.346 | 6.218 | 6.218 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 368 | TRP | 0 | 0.033 | 0.024 | 37.429 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 369 | ALA | 0 | -0.007 | -0.003 | 39.341 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 370 | LEU | 0 | -0.041 | -0.029 | 38.491 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 371 | GLY | 0 | -0.020 | 0.011 | 38.693 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 372 | GLU | -1 | -0.827 | -0.906 | 39.599 | -7.001 | -7.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 399 | GLU | -1 | -0.870 | -0.913 | 18.250 | -14.647 | -14.647 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 400 | LEU | 0 | 0.051 | 0.030 | 12.069 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 401 | ARG | 1 | 0.669 | 0.783 | 14.714 | 15.734 | 15.734 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 402 | SER | 0 | 0.047 | 0.027 | 13.551 | -1.111 | -1.111 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 403 | LEU | 0 | 0.022 | -0.003 | 13.498 | 1.330 | 1.330 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 404 | ALA | 0 | 0.024 | 0.016 | 15.258 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 405 | SER | 0 | 0.030 | -0.003 | 18.882 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 406 | TRP | 0 | -0.026 | -0.017 | 20.835 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 407 | ILE | 0 | 0.021 | 0.014 | 18.044 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 408 | GLN | 0 | 0.048 | 0.029 | 19.001 | -0.528 | -0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 409 | ASN | 0 | -0.008 | -0.010 | 21.044 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 410 | GLU | -1 | -0.741 | -0.888 | 23.995 | -10.839 | -10.839 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 411 | PHE | 0 | 0.017 | 0.012 | 22.188 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 412 | ASN | 0 | 0.041 | 0.010 | 23.676 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 413 | LYS | 1 | 0.832 | 0.888 | 26.052 | 10.256 | 10.256 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 414 | ALA | 0 | -0.028 | -0.013 | 26.897 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 415 | CYS | 0 | 0.005 | -0.005 | 26.193 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 416 | GLU | -1 | -0.897 | -0.904 | 29.095 | -9.532 | -9.532 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 417 | LEU | 0 | -0.010 | -0.002 | 32.300 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 418 | THR | 0 | -0.056 | -0.030 | 35.824 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 419 | ASP | -1 | -0.848 | -0.949 | 38.374 | -7.434 | -7.434 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 420 | SER | 0 | -0.064 | -0.033 | 41.371 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 421 | SER | 0 | 0.014 | 0.013 | 40.992 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 422 | TRP | 0 | -0.051 | -0.056 | 38.624 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 423 | ILE | 0 | -0.019 | -0.006 | 37.987 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 424 | GLU | -1 | -0.807 | -0.890 | 41.704 | -6.708 | -6.708 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 425 | LEU | 0 | -0.012 | -0.016 | 43.332 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 426 | ASP | -1 | -0.957 | -0.984 | 43.691 | -6.959 | -6.959 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 427 | GLU | -1 | -0.863 | -0.916 | 39.921 | -7.746 | -7.746 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 428 | ILE | 0 | -0.037 | -0.017 | 36.387 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 429 | GLY | 0 | 0.058 | 0.025 | 39.574 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 430 | GLU | -1 | -0.857 | -0.892 | 38.896 | -8.288 | -8.288 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 431 | ASP | -1 | -0.934 | -0.959 | 42.286 | -7.624 | -7.624 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 432 | ALA | 0 | -0.004 | -0.006 | 44.459 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 433 | ALA | 0 | -0.031 | -0.014 | 47.470 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 434 | PRO | 0 | -0.007 | -0.010 | 47.454 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 435 | ILE | 0 | 0.017 | 0.025 | 42.909 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 436 | GLU | -1 | -0.786 | -0.887 | 42.412 | -7.110 | -7.110 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 437 | HIS | 0 | 0.011 | 0.000 | 44.729 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 438 | ILE | 0 | -0.009 | -0.015 | 39.798 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 439 | ALA | 0 | 0.060 | 0.025 | 39.930 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 440 | SER | 0 | -0.045 | -0.027 | 40.582 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 441 | MET | 0 | -0.040 | -0.016 | 41.586 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 442 | ARG | 1 | 0.787 | 0.864 | 36.210 | 8.216 | 8.216 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 443 | ARG | 1 | 0.923 | 0.977 | 37.670 | 7.267 | 7.267 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 444 | ASN | 0 | -0.015 | 0.001 | 39.292 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 445 | TYR | 0 | -0.060 | -0.048 | 37.455 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 446 | PHE | 0 | 0.055 | 0.020 | 31.137 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 447 | THR | 0 | -0.004 | -0.025 | 36.149 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 448 | ALA | 0 | -0.046 | -0.017 | 38.591 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 449 | GLU | -1 | -0.837 | -0.890 | 34.082 | -8.776 | -8.776 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 450 | VAL | 0 | 0.010 | 0.006 | 32.782 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 451 | SER | 0 | 0.018 | 0.031 | 35.563 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 452 | HIS | 0 | -0.001 | -0.009 | 38.427 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 453 | CYS | 0 | -0.079 | 0.006 | 32.335 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 454 | ARG | 1 | 0.938 | 0.963 | 31.861 | 9.177 | 9.177 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 455 | ALA | 0 | 0.048 | 0.009 | 29.616 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 456 | THR | 0 | 0.045 | -0.001 | 31.357 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 457 | GLU | -1 | -0.756 | -0.803 | 34.564 | -8.363 | -8.363 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 458 | TYR | 0 | -0.024 | -0.024 | 28.869 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 459 | ILE | 0 | 0.018 | 0.021 | 31.822 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 460 | MET | 0 | 0.008 | 0.019 | 33.809 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 461 | LYS | 1 | 0.777 | 0.904 | 34.134 | 9.242 | 9.242 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 462 | GLY | 0 | 0.021 | -0.005 | 33.830 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 463 | VAL | 0 | 0.013 | 0.019 | 34.757 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 464 | TYR | 0 | 0.016 | 0.019 | 37.310 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 465 | ILE | 0 | -0.048 | -0.015 | 35.850 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 466 | ASN | 0 | -0.034 | -0.037 | 33.349 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 467 | THR | 0 | 0.026 | -0.006 | 37.404 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 468 | ALA | 0 | -0.035 | -0.015 | 40.752 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 469 | LEU | 0 | -0.016 | -0.003 | 36.936 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 470 | LEU | 0 | 0.054 | 0.020 | 38.705 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 471 | ASN | 0 | -0.007 | 0.001 | 40.848 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 472 | ALA | 0 | 0.018 | 0.007 | 43.859 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 473 | SER | 0 | -0.071 | -0.060 | 41.232 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 474 | CYS | 0 | -0.030 | -0.012 | 43.558 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 475 | ALA | 0 | -0.029 | -0.018 | 45.951 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 476 | ALA | 0 | 0.042 | 0.030 | 47.683 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 477 | MET | 0 | 0.013 | 0.029 | 46.307 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 478 | ASP | -1 | -0.790 | -0.897 | 46.423 | -6.673 | -6.673 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 479 | ASP | -1 | -0.869 | -0.914 | 48.569 | -6.217 | -6.217 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 480 | PHE | 0 | -0.011 | -0.014 | 45.874 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 481 | GLN | 0 | -0.025 | -0.015 | 46.090 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 482 | LEU | 0 | 0.037 | 0.018 | 45.065 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 483 | ILE | 0 | -0.037 | -0.030 | 42.176 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 484 | PRO | 0 | 0.004 | 0.000 | 42.860 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 485 | MET | 0 | -0.041 | 0.004 | 36.033 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 486 | ILE | 0 | 0.009 | 0.000 | 41.201 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 487 | SER | 0 | 0.020 | -0.002 | 39.904 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 488 | LYS | 1 | 0.828 | 0.907 | 42.034 | 6.710 | 6.710 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 489 | CYS | 0 | -0.012 | 0.017 | 42.542 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 490 | ARG | 1 | 0.855 | 0.925 | 44.447 | 6.750 | 6.750 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 491 | THR | 0 | -0.034 | -0.030 | 45.583 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 492 | LYS | 1 | 0.922 | 0.978 | 42.076 | 7.448 | 7.448 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 493 | GLU | -1 | -0.863 | -0.929 | 47.414 | -6.411 | -6.411 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 494 | GLY | 0 | -0.001 | 0.008 | 49.859 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 495 | ARG | 1 | 0.834 | 0.907 | 50.876 | 6.131 | 6.131 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 496 | ARG | 1 | 0.820 | 0.922 | 49.568 | 5.774 | 5.774 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 497 | LYS | 1 | 0.862 | 0.915 | 45.450 | 6.931 | 6.931 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 498 | THR | 0 | -0.017 | -0.001 | 46.728 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 499 | ASN | 0 | -0.005 | -0.005 | 42.499 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 500 | LEU | 0 | 0.015 | 0.014 | 43.756 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 501 | TYR | 0 | -0.016 | -0.050 | 37.752 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 502 | GLY | 0 | 0.055 | 0.035 | 39.967 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 503 | PHE | 0 | -0.016 | -0.024 | 41.206 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 504 | ILE | 0 | 0.008 | 0.002 | 37.528 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 505 | ILE | 0 | -0.015 | 0.005 | 40.700 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 506 | LYS | 1 | 0.815 | 0.914 | 40.841 | 6.921 | 6.921 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 507 | GLY | 0 | 0.047 | 0.025 | 40.970 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 508 | ARG | 1 | 0.757 | 0.851 | 42.573 | 6.773 | 6.773 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 509 | SER | 0 | -0.041 | -0.022 | 41.873 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 510 | HIS | 0 | 0.029 | 0.012 | 42.820 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 511 | LEU | 0 | -0.007 | 0.000 | 38.409 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 512 | ARG | 1 | 0.884 | 0.942 | 41.258 | 7.081 | 7.081 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 513 | ASN | 0 | -0.043 | -0.044 | 37.377 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 514 | ASP | -1 | -0.779 | -0.890 | 34.494 | -8.814 | -8.814 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 515 | THR | 0 | 0.021 | 0.001 | 31.373 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 516 | ASP | -1 | -0.815 | -0.868 | 33.586 | -8.467 | -8.467 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 517 | VAL | 0 | -0.016 | -0.030 | 32.567 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 518 | VAL | 0 | -0.005 | 0.010 | 35.561 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 519 | ASN | 0 | 0.000 | -0.019 | 35.946 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 520 | PHE | 0 | -0.026 | -0.028 | 33.420 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 521 | VAL | 0 | 0.005 | 0.007 | 36.610 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 522 | SER | 0 | 0.024 | 0.009 | 35.122 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 523 | MET | 0 | -0.048 | -0.020 | 37.500 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 524 | GLU | -1 | -0.737 | -0.874 | 34.360 | -9.030 | -9.030 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 525 | PHE | 0 | -0.005 | -0.001 | 38.140 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 526 | SER | 0 | 0.003 | -0.027 | 35.527 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 527 | LEU | 0 | 0.028 | 0.013 | 37.892 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 528 | THR | 0 | -0.054 | -0.035 | 32.000 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 529 | ASP | -1 | -0.738 | -0.825 | 35.476 | -8.389 | -8.389 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 530 | PRO | 0 | -0.028 | -0.010 | 32.610 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 531 | ARG | 1 | 0.817 | 0.853 | 31.919 | 7.799 | 7.799 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 532 | LEU | 0 | -0.020 | 0.009 | 31.539 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 533 | GLU | -1 | -0.841 | -0.924 | 24.981 | -12.459 | -12.459 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 534 | PRO | 0 | 0.016 | 0.017 | 27.914 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 535 | HIS | 0 | -0.024 | -0.016 | 23.177 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 536 | LYS | 1 | 0.792 | 0.888 | 24.682 | 11.026 | 11.026 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 537 | TRP | 0 | -0.007 | -0.016 | 25.700 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 538 | GLU | -1 | -0.746 | -0.830 | 24.024 | -12.353 | -12.353 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 539 | LYS | 1 | 0.760 | 0.856 | 23.084 | 13.015 | 13.015 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 540 | TYR | 0 | 0.015 | -0.004 | 28.545 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 541 | CYS | 0 | -0.063 | -0.006 | 32.436 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 542 | VAL | 0 | -0.019 | -0.011 | 33.963 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 543 | LEU | 0 | -0.006 | -0.006 | 36.982 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 544 | GLU | -1 | -0.805 | -0.904 | 40.433 | -7.417 | -7.417 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 545 | VAL | 0 | -0.025 | -0.037 | 42.754 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 546 | GLY | 0 | 0.064 | 0.020 | 45.415 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 547 | ASP | -1 | -0.888 | -0.921 | 46.089 | -6.826 | -6.826 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 548 | MET | 0 | 0.005 | 0.003 | 44.979 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 549 | LEU | 0 | -0.024 | -0.001 | 47.273 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 550 | LEU | 0 | -0.008 | -0.004 | 43.291 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 551 | ARG | 1 | 1.003 | 0.990 | 47.474 | 6.298 | 6.298 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 552 | SER | 0 | -0.016 | -0.028 | 44.465 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 553 | ALA | 0 | 0.035 | 0.010 | 43.733 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 554 | ILE | 0 | -0.025 | -0.005 | 43.995 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 555 | GLY | 0 | 0.037 | 0.035 | 48.078 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 556 | HIS | 0 | -0.027 | -0.018 | 48.881 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 557 | VAL | 0 | -0.016 | 0.000 | 45.334 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 558 | SER | 0 | 0.024 | 0.017 | 48.110 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 559 | ARG | 1 | 0.905 | 0.944 | 42.218 | 7.096 | 7.096 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 560 | PRO | 0 | 0.081 | 0.062 | 41.484 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 561 | MET | 0 | -0.038 | -0.005 | 42.036 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 562 | PHE | 0 | -0.002 | -0.017 | 38.360 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 563 | LEU | 0 | -0.017 | -0.016 | 39.537 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 564 | TYR | 0 | -0.016 | -0.031 | 32.361 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 565 | VAL | 0 | -0.008 | -0.009 | 36.239 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 566 | ARG | 1 | 0.880 | 0.943 | 27.992 | 10.222 | 10.222 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 567 | THR | 0 | 0.051 | 0.045 | 34.182 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 568 | ASN | 0 | 0.026 | 0.012 | 30.382 | -0.687 | -0.687 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 569 | GLY | 0 | 0.093 | 0.052 | 31.913 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 570 | THR | 0 | -0.054 | -0.013 | 31.557 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 571 | SER | 0 | 0.057 | 0.038 | 31.757 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 572 | LYS | 1 | 0.947 | 0.969 | 33.832 | 7.889 | 7.889 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 573 | ILE | 0 | 0.005 | 0.008 | 30.994 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 574 | LYS | 1 | 0.939 | 0.970 | 27.320 | 11.192 | 11.192 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 575 | MET | 0 | -0.020 | 0.014 | 31.635 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 576 | LYS | 1 | 0.850 | 0.909 | 34.911 | 8.714 | 8.714 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 577 | TRP | 0 | 0.034 | 0.012 | 30.418 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 578 | GLY | 0 | -0.003 | -0.002 | 32.503 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 579 | MET | 0 | -0.054 | -0.033 | 33.325 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 580 | GLU | -1 | -0.819 | -0.880 | 33.864 | -8.435 | -8.435 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 581 | MET | 0 | -0.018 | -0.001 | 29.690 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 582 | ARG | 1 | 0.926 | 0.941 | 32.861 | 7.783 | 7.783 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 583 | ARG | 1 | 0.727 | 0.811 | 32.647 | 8.796 | 8.796 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 584 | CYS | 0 | -0.025 | 0.005 | 28.274 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 585 | LEU | 0 | -0.007 | 0.005 | 30.863 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 586 | LEU | 0 | 0.024 | 0.019 | 33.445 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 587 | GLN | 0 | 0.039 | 0.029 | 26.839 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 588 | SER | 0 | -0.007 | -0.026 | 28.604 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 589 | LEU | 0 | 0.007 | 0.012 | 29.677 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 590 | GLN | 0 | 0.050 | 0.016 | 30.983 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 591 | GLN | 0 | -0.010 | 0.000 | 23.813 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 592 | ILE | 0 | -0.033 | -0.020 | 27.949 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 593 | GLU | -1 | -0.873 | -0.952 | 29.836 | -8.551 | -8.551 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 594 | SER | 0 | 0.000 | 0.004 | 27.913 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 595 | MET | 0 | -0.052 | -0.025 | 25.602 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 596 | ILE | 0 | 0.018 | 0.022 | 28.673 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 597 | GLU | -1 | -0.824 | -0.884 | 31.908 | -8.279 | -8.279 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 598 | ALA | 0 | -0.012 | 0.000 | 28.359 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 599 | GLU | -1 | -0.927 | -0.982 | 29.838 | -9.149 | -9.149 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 600 | SER | 0 | -0.040 | -0.047 | 31.793 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 601 | SER | 0 | -0.002 | 0.001 | 32.621 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 602 | VAL | 0 | -0.078 | -0.027 | 30.195 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 603 | LYS | 1 | 0.884 | 0.926 | 33.364 | 8.478 | 8.478 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 604 | GLU | -1 | -0.939 | -0.946 | 36.471 | -7.190 | -7.190 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 605 | LYS | 1 | 0.821 | 0.904 | 38.426 | 7.662 | 7.662 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 606 | ASP | -1 | -0.794 | -0.868 | 38.136 | -8.020 | -8.020 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 607 | MET | 0 | -0.049 | -0.017 | 34.228 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 608 | THR | 0 | 0.036 | 0.003 | 35.902 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 609 | LYS | 1 | 0.906 | 0.947 | 37.019 | 6.832 | 6.832 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 610 | GLU | -1 | -0.865 | -0.941 | 36.264 | -7.535 | -7.535 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 611 | PHE | 0 | 0.052 | 0.042 | 28.902 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 612 | PHE | 0 | 0.021 | -0.010 | 33.588 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 613 | GLU | -1 | -0.847 | -0.904 | 35.478 | -7.185 | -7.185 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 614 | ASN | 0 | -0.052 | -0.018 | 31.675 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 615 | LYS | 1 | 0.829 | 0.919 | 34.427 | 7.388 | 7.388 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 624 | SER | 0 | 0.064 | 0.033 | 29.709 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 625 | PRO | 0 | 0.069 | 0.028 | 27.770 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 626 | LYS | 1 | 0.830 | 0.891 | 28.401 | 9.090 | 9.090 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 627 | GLY | 0 | 0.013 | 0.015 | 28.443 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 628 | VAL | 0 | 0.001 | 0.005 | 26.568 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 629 | GLU | -1 | -0.931 | -0.941 | 19.120 | -13.703 | -13.703 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 630 | GLU | -1 | -0.869 | -0.946 | 22.651 | -12.312 | -12.312 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 631 | GLY | 0 | -0.054 | -0.034 | 24.691 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 632 | SER | 0 | -0.033 | -0.030 | 28.050 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 633 | ILE | 0 | 0.108 | 0.053 | 29.132 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 634 | GLY | 0 | 0.075 | 0.043 | 30.447 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 635 | LYS | 1 | 0.856 | 0.934 | 25.620 | 11.221 | 11.221 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 636 | VAL | 0 | 0.071 | 0.058 | 25.385 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 637 | CYS | 0 | -0.036 | -0.014 | 26.997 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 638 | ARG | 1 | 0.807 | 0.872 | 29.346 | 9.152 | 9.152 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 639 | THR | 0 | -0.022 | -0.024 | 22.915 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 640 | LEU | 0 | -0.019 | -0.008 | 23.517 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 641 | LEU | 0 | 0.022 | 0.025 | 25.843 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 642 | ALA | 0 | -0.007 | -0.011 | 26.050 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 643 | LYS | 1 | 0.923 | 0.960 | 19.037 | 15.012 | 15.012 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 644 | SER | 0 | 0.006 | 0.013 | 23.281 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 645 | VAL | 0 | 0.007 | -0.009 | 25.668 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 646 | PHE | 0 | -0.013 | -0.024 | 22.230 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 647 | ASN | 0 | 0.059 | 0.034 | 20.523 | -0.748 | -0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 648 | SER | 0 | -0.036 | 0.005 | 22.810 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 649 | LEU | 0 | -0.049 | -0.044 | 25.702 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 650 | TYR | 0 | -0.093 | -0.076 | 21.000 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 651 | ALA | 0 | 0.062 | 0.067 | 21.160 | -0.723 | -0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 652 | SER | 0 | -0.054 | -0.056 | 18.561 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 653 | PRO | 0 | 0.053 | 0.015 | 18.794 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 654 | GLN | 0 | 0.058 | 0.032 | 14.611 | -1.277 | -1.277 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 655 | LEU | 0 | 0.020 | 0.011 | 14.578 | -1.354 | -1.354 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 656 | GLU | -1 | -0.931 | -0.951 | 16.372 | -15.812 | -15.812 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 657 | GLY | 0 | 0.012 | 0.007 | 14.413 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 658 | PHE | 0 | 0.070 | 0.020 | 8.961 | -0.965 | -0.965 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 659 | SER | 0 | -0.021 | -0.008 | 12.553 | -0.978 | -0.978 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 660 | ALA | 0 | -0.031 | -0.008 | 15.332 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 661 | GLU | -1 | -0.801 | -0.903 | 10.434 | -23.788 | -23.788 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 662 | SER | 0 | 0.005 | -0.012 | 10.370 | -0.931 | -0.931 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 663 | ARG | 1 | 0.943 | 0.985 | 11.416 | 17.643 | 17.643 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 664 | LYS | 1 | 0.813 | 0.880 | 12.139 | 22.742 | 22.742 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 665 | LEU | 0 | 0.045 | 0.036 | 5.517 | 0.711 | 0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 666 | LEU | 0 | -0.057 | -0.026 | 8.853 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 667 | LEU | 0 | -0.032 | -0.016 | 10.439 | 0.898 | 0.898 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 668 | ILE | 0 | -0.007 | 0.014 | 9.207 | 1.454 | 1.454 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 669 | VAL | 0 | 0.014 | 0.000 | 5.390 | 0.703 | 0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 670 | GLN | 0 | -0.017 | -0.017 | 8.072 | 1.059 | 1.059 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 671 | ALA | 0 | 0.032 | 0.035 | 11.291 | 0.974 | 0.974 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 672 | LEU | 0 | -0.014 | -0.001 | 7.735 | 0.946 | 0.946 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 673 | ARG | 1 | 0.851 | 0.918 | 7.331 | 21.575 | 21.575 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 674 | ASP | -1 | -0.915 | -0.962 | 10.985 | -15.189 | -15.189 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 675 | ASN | 0 | -0.133 | -0.073 | 14.003 | 1.621 | 1.621 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 676 | LEU | 0 | -0.066 | -0.029 | 10.952 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 677 | GLU | -1 | -0.855 | -0.893 | 10.764 | -17.346 | -17.346 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 678 | PRO | 0 | -0.010 | -0.019 | 8.236 | -1.174 | -1.174 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 679 | GLY | 0 | 0.025 | 0.024 | 6.826 | -1.187 | -1.187 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 680 | THR | 0 | -0.060 | -0.045 | 3.041 | -2.882 | -2.218 | 0.080 | -0.255 | -0.488 | 0.000 |
382 | A | 681 | PHE | 0 | -0.044 | -0.037 | 1.941 | -16.656 | -16.777 | 8.939 | -4.088 | -4.730 | -0.040 |
383 | A | 682 | ASP | -1 | -0.756 | -0.894 | 4.077 | -27.391 | -27.245 | 0.001 | -0.048 | -0.099 | 0.000 |
384 | A | 683 | LEU | 0 | -0.052 | -0.006 | 4.652 | -7.761 | -7.646 | -0.001 | -0.005 | -0.108 | 0.000 |
385 | A | 684 | GLY | 0 | 0.029 | 0.002 | 4.507 | -3.762 | -3.724 | -0.001 | -0.011 | -0.026 | 0.000 |
386 | A | 685 | GLY | 0 | -0.031 | -0.028 | 5.327 | 5.921 | 5.976 | -0.001 | -0.001 | -0.053 | 0.000 |
387 | A | 686 | LEU | 0 | -0.029 | -0.002 | 7.666 | 2.299 | 2.299 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 687 | TYR | 0 | -0.015 | -0.033 | 2.598 | -4.664 | -1.530 | 7.597 | -2.807 | -7.923 | -0.017 |
389 | A | 688 | GLU | -1 | -0.814 | -0.901 | 3.973 | -61.026 | -60.597 | 0.001 | -0.143 | -0.287 | -0.001 |
390 | A | 689 | ALA | 0 | 0.001 | 0.021 | 5.872 | 3.409 | 3.409 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 690 | ILE | 0 | -0.008 | -0.009 | 6.295 | 2.558 | 2.558 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 691 | GLU | -1 | -0.704 | -0.826 | 1.740 | -133.171 | -139.009 | 23.526 | -9.893 | -7.796 | -0.144 |
393 | A | 692 | GLU | -1 | -0.916 | -0.935 | 6.350 | -22.818 | -22.818 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 693 | CYS | 0 | -0.121 | -0.050 | 9.345 | 3.955 | 3.955 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 694 | LEU | 0 | -0.085 | -0.038 | 6.237 | 2.388 | 2.388 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 695 | ILE | 0 | 0.026 | 0.026 | 10.070 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 696 | ASN | 0 | -0.018 | -0.035 | 12.864 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 697 | ASP | -1 | -0.819 | -0.886 | 15.161 | -15.261 | -15.261 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 698 | PRO | 0 | 0.021 | 0.003 | 15.527 | -0.888 | -0.888 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 699 | TRP | 0 | 0.012 | -0.002 | 16.660 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 700 | VAL | 0 | 0.022 | 0.025 | 12.132 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 701 | LEU | 0 | 0.036 | 0.020 | 10.849 | -1.597 | -1.597 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 702 | LEU | 0 | -0.020 | -0.004 | 12.259 | -1.156 | -1.156 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 703 | ASN | 0 | -0.034 | -0.034 | 14.005 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 704 | ALA | 0 | 0.045 | 0.028 | 8.370 | -0.823 | -0.823 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 705 | SER | 0 | -0.020 | -0.011 | 9.421 | -2.325 | -2.325 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 706 | TRP | 0 | -0.070 | -0.061 | 11.332 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 707 | PHE | 0 | 0.034 | 0.018 | 6.775 | 0.832 | 0.832 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 708 | ASN | 0 | 0.046 | 0.016 | 5.791 | -3.316 | -3.316 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 709 | SER | 0 | -0.039 | -0.006 | 8.050 | 1.085 | 1.085 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 710 | PHE | 0 | 0.017 | 0.009 | 8.603 | 1.179 | 1.179 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 711 | LEU | 0 | -0.023 | 0.041 | 3.553 | 0.312 | 0.606 | 0.002 | -0.063 | -0.233 | 0.000 |
413 | A | 712 | THR | 0 | -0.080 | -0.045 | 6.529 | 1.082 | 1.082 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 713 | HIS | 0 | -0.071 | -0.065 | 7.964 | 1.462 | 1.462 | 0.000 | 0.000 | 0.000 | 0.000 |