FMODB ID: R9Y28
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 | 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 | 414 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7473726.687423 |
---|---|
FMO2-HF: Nuclear repulsion | 7304260.466203 |
FMO2-HF: Total energy | -169466.221219 |
FMO2-MP2: Total energy | -169950.074411 |
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. |
-183.391 | -169.011 | 24.173 | -15.74 | -22.813 | -0.136 |
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 | 0.000 | -0.011 | 2.975 | -17.636 | -13.690 | 0.253 | -2.053 | -2.146 | -0.012 |
4 | A | 269 | ARG | 1 | 0.776 | 0.871 | 2.185 | 69.549 | 71.002 | 6.119 | -2.347 | -5.225 | -0.009 |
5 | A | 270 | LEU | 0 | -0.023 | -0.013 | 4.969 | 2.064 | 2.105 | -0.001 | -0.001 | -0.038 | 0.000 |
6 | A | 271 | PRO | 0 | 0.000 | 0.012 | 8.487 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 272 | ASP | -1 | -0.893 | -0.937 | 10.492 | -23.230 | -23.230 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 273 | GLY | 0 | -0.011 | -0.025 | 13.133 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 274 | PRO | 0 | -0.022 | 0.002 | 16.679 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 275 | PRO | 0 | 0.038 | 0.024 | 18.795 | -0.563 | -0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 276 | CYS | 0 | 0.022 | 0.036 | 18.212 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 277 | SER | 0 | -0.008 | -0.015 | 20.105 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 278 | GLN | 0 | 0.092 | 0.060 | 23.265 | -0.766 | -0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 279 | ARG | 1 | 0.735 | 0.847 | 21.609 | 13.711 | 13.711 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 280 | SER | 0 | 0.010 | 0.021 | 26.045 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 281 | LYS | 1 | 0.844 | 0.915 | 28.120 | 10.677 | 10.677 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 282 | PHE | 0 | -0.002 | 0.003 | 31.454 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 283 | LEU | 0 | -0.021 | -0.002 | 31.557 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 284 | LEU | 0 | -0.012 | -0.008 | 27.892 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 285 | MET | 0 | -0.039 | -0.009 | 29.195 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 286 | ASP | -1 | -0.799 | -0.877 | 31.221 | -9.744 | -9.744 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 287 | ALA | 0 | -0.043 | 0.010 | 34.247 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 288 | LEU | 0 | 0.024 | 0.013 | 36.935 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 289 | LYS | 1 | 0.815 | 0.894 | 39.929 | 7.880 | 7.880 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 290 | LEU | 0 | 0.012 | 0.025 | 43.406 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 291 | SER | 0 | -0.008 | -0.047 | 46.207 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 292 | ILE | 0 | -0.021 | -0.003 | 48.652 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 293 | GLU | -1 | -0.894 | -0.970 | 51.290 | -6.251 | -6.251 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 294 | ASP | -1 | -0.904 | -0.953 | 53.259 | -5.691 | -5.691 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 295 | PRO | 0 | -0.055 | -0.014 | 52.785 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 296 | SER | 0 | 0.033 | -0.006 | 55.979 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 297 | HIS | 0 | -0.044 | -0.007 | 54.848 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 298 | GLU | -1 | -0.802 | -0.900 | 59.827 | -5.204 | -5.204 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 299 | GLY | 0 | 0.039 | 0.006 | 58.707 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 300 | GLU | -1 | -1.007 | -1.004 | 53.838 | -6.055 | -6.055 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 301 | GLY | 0 | 0.026 | 0.019 | 52.557 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 302 | ILE | 0 | -0.077 | -0.030 | 52.172 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 303 | PRO | 0 | 0.030 | 0.005 | 48.066 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 304 | LEU | 0 | 0.006 | 0.003 | 50.098 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 305 | TYR | 0 | -0.010 | -0.020 | 51.818 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 306 | ASP | -1 | -0.835 | -0.921 | 50.651 | -6.113 | -6.113 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 307 | ALA | 0 | -0.002 | -0.013 | 48.987 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 308 | ILE | 0 | 0.033 | 0.021 | 50.269 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 309 | LYS | 1 | 0.934 | 0.984 | 53.499 | 5.562 | 5.562 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 310 | CYS | 0 | -0.027 | -0.019 | 49.221 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 311 | MET | 0 | -0.028 | 0.009 | 49.214 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 312 | ARG | 1 | 0.816 | 0.875 | 51.587 | 5.506 | 5.506 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 313 | THR | 0 | -0.112 | -0.053 | 51.744 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 314 | PHE | 0 | -0.043 | -0.014 | 48.979 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 315 | PHE | 0 | 0.011 | -0.010 | 52.740 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 316 | GLY | 0 | 0.019 | 0.015 | 51.570 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 317 | TRP | 0 | -0.011 | -0.013 | 46.859 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 318 | LYS | 1 | 0.797 | 0.887 | 47.362 | 6.746 | 6.746 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 319 | GLU | -1 | -0.853 | -0.917 | 50.641 | -6.120 | -6.120 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 320 | PRO | 0 | -0.051 | -0.007 | 46.574 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 321 | ASN | 0 | 0.022 | -0.007 | 45.155 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 322 | VAL | 0 | -0.012 | -0.010 | 39.827 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 323 | VAL | 0 | -0.028 | -0.002 | 38.852 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 324 | LYS | 1 | 0.840 | 0.925 | 31.497 | 9.497 | 9.497 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 325 | PRO | 0 | 0.004 | 0.003 | 36.135 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 326 | HIS | 0 | 0.087 | 0.067 | 31.275 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 327 | GLU | -1 | -0.850 | -0.945 | 30.757 | -9.725 | -9.725 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 328 | LYS | 1 | 0.933 | 0.965 | 27.585 | 10.911 | 10.911 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 329 | GLY | 0 | 0.016 | 0.028 | 33.497 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 330 | ILE | 0 | -0.038 | -0.010 | 36.474 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 331 | ASN | 0 | 0.073 | 0.014 | 37.515 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 332 | PRO | 0 | 0.038 | 0.018 | 40.856 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 333 | ASN | 0 | 0.035 | 0.016 | 42.636 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 334 | TYR | 0 | -0.022 | -0.038 | 35.735 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 335 | LEU | 0 | 0.019 | 0.017 | 42.214 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 336 | LEU | 0 | -0.021 | -0.016 | 44.967 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 337 | SER | 0 | -0.026 | -0.025 | 43.913 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 338 | TRP | 0 | 0.041 | 0.017 | 44.433 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 339 | LYS | 1 | 0.890 | 0.927 | 46.241 | 6.262 | 6.262 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 340 | GLN | 0 | -0.031 | -0.003 | 49.121 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 341 | VAL | 0 | 0.007 | 0.003 | 46.216 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 342 | LEU | 0 | 0.007 | 0.003 | 49.492 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 343 | ALA | 0 | 0.010 | 0.007 | 51.683 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 344 | GLU | -1 | -0.789 | -0.892 | 52.461 | -5.913 | -5.913 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 345 | LEU | 0 | -0.044 | -0.034 | 50.102 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 346 | GLN | 0 | -0.015 | 0.004 | 54.446 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 347 | ASP | -1 | -0.943 | -0.984 | 57.390 | -5.406 | -5.406 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 348 | ILE | 0 | -0.039 | -0.028 | 54.915 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 349 | GLU | -1 | -0.846 | -0.889 | 57.956 | -5.420 | -5.420 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 350 | ASN | 0 | -0.047 | -0.020 | 60.495 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 351 | GLU | -1 | -1.003 | -0.987 | 60.081 | -5.219 | -5.219 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 352 | GLU | -1 | -0.957 | -0.965 | 63.912 | -4.654 | -4.654 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 353 | LYS | 1 | 0.852 | 0.910 | 61.936 | 5.136 | 5.136 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 354 | ILE | 0 | 0.038 | 0.026 | 57.061 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 355 | PRO | 0 | 0.031 | 0.048 | 56.426 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 356 | ARG | 1 | 0.982 | 0.968 | 54.018 | 5.738 | 5.738 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 357 | THR | 0 | -0.030 | -0.021 | 51.564 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 358 | LYS | 1 | 1.006 | 1.018 | 51.788 | 5.851 | 5.851 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 359 | ASN | 0 | -0.006 | -0.017 | 50.971 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 360 | MET | 0 | -0.047 | -0.004 | 48.098 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 361 | LYS | 1 | 0.983 | 0.981 | 51.159 | 5.592 | 5.592 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 362 | LYS | 1 | 0.862 | 0.926 | 49.864 | 6.200 | 6.200 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 363 | THR | 0 | -0.046 | -0.041 | 49.447 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 364 | SER | 0 | 0.030 | 0.011 | 48.711 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 365 | GLN | 0 | 0.023 | 0.009 | 45.681 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 366 | LEU | 0 | 0.020 | 0.011 | 44.311 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 367 | LYS | 1 | 0.947 | 0.976 | 44.032 | 6.172 | 6.172 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 368 | TRP | 0 | 0.028 | 0.028 | 38.034 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 369 | ALA | 0 | -0.007 | -0.006 | 39.998 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 370 | LEU | 0 | -0.036 | -0.029 | 39.180 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 371 | GLY | 0 | -0.022 | 0.009 | 39.276 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 372 | GLU | -1 | -0.902 | -0.960 | 40.175 | -7.049 | -7.049 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 399 | GLU | -1 | -0.916 | -0.966 | 18.410 | -14.309 | -14.309 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 400 | LEU | 0 | 0.037 | 0.017 | 12.036 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 401 | ARG | 1 | 0.689 | 0.827 | 15.242 | 15.342 | 15.342 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 402 | SER | 0 | 0.040 | 0.024 | 14.263 | -0.948 | -0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 403 | LEU | 0 | 0.008 | -0.011 | 14.423 | 1.204 | 1.204 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 404 | ALA | 0 | 0.020 | 0.011 | 16.224 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 405 | SER | 0 | 0.013 | -0.010 | 19.844 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 406 | TRP | 0 | -0.013 | -0.005 | 21.788 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 407 | ILE | 0 | 0.015 | 0.011 | 19.200 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 408 | GLN | 0 | 0.065 | 0.038 | 19.614 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 409 | ASN | 0 | -0.008 | -0.014 | 21.947 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 410 | GLU | -1 | -0.740 | -0.886 | 25.014 | -10.450 | -10.450 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 411 | PHE | 0 | 0.006 | 0.005 | 22.771 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 412 | ASN | 0 | 0.038 | 0.004 | 23.960 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 413 | LYS | 1 | 0.942 | 0.970 | 26.635 | 9.976 | 9.976 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 414 | ALA | 0 | -0.027 | -0.012 | 27.794 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 415 | CYS | 0 | 0.005 | -0.001 | 26.389 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 416 | GLU | -1 | -1.000 | -0.984 | 29.174 | -9.204 | -9.204 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 417 | LEU | 0 | -0.020 | -0.004 | 32.355 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 418 | THR | 0 | -0.064 | -0.054 | 35.747 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 419 | ASP | -1 | -0.847 | -0.954 | 38.713 | -7.180 | -7.180 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 420 | SER | 0 | -0.065 | -0.039 | 41.837 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 421 | SER | 0 | 0.012 | 0.020 | 41.366 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 422 | TRP | 0 | -0.048 | -0.052 | 39.195 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 423 | ILE | 0 | -0.031 | -0.016 | 38.495 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 424 | GLU | -1 | -0.891 | -0.939 | 42.301 | -6.594 | -6.594 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 425 | LEU | 0 | -0.033 | -0.032 | 43.338 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 426 | ASP | -1 | -0.964 | -0.978 | 43.632 | -6.808 | -6.808 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 427 | GLU | -1 | -0.887 | -0.940 | 40.650 | -7.496 | -7.496 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 428 | ILE | 0 | -0.044 | -0.022 | 36.324 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 429 | GLY | 0 | 0.038 | 0.006 | 39.833 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 430 | GLU | -1 | -0.876 | -0.915 | 40.647 | -7.923 | -7.923 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 431 | ASP | -1 | -0.922 | -0.957 | 42.147 | -7.387 | -7.387 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 432 | ALA | 0 | -0.010 | -0.009 | 44.420 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 433 | ALA | 0 | -0.034 | -0.015 | 47.422 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 434 | PRO | 0 | -0.009 | -0.004 | 47.414 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 435 | ILE | 0 | 0.006 | 0.019 | 42.955 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 436 | GLU | -1 | -0.794 | -0.888 | 41.873 | -6.995 | -6.995 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 437 | HIS | 0 | 0.012 | -0.011 | 44.685 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 438 | ILE | 0 | 0.001 | -0.003 | 39.738 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 439 | ALA | 0 | 0.053 | 0.022 | 39.885 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 440 | SER | 0 | -0.041 | -0.028 | 40.534 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 441 | MET | 0 | -0.038 | -0.019 | 41.500 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 442 | ARG | 1 | 0.829 | 0.899 | 36.057 | 7.990 | 7.990 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 443 | ARG | 1 | 0.974 | 1.000 | 37.615 | 7.051 | 7.051 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 444 | ASN | 0 | -0.015 | -0.005 | 39.238 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 445 | TYR | 0 | -0.060 | -0.054 | 37.362 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 446 | PHE | 0 | 0.050 | 0.019 | 31.100 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 447 | THR | 0 | -0.007 | -0.020 | 36.089 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 448 | ALA | 0 | -0.045 | -0.021 | 38.529 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 449 | GLU | -1 | -0.882 | -0.927 | 34.006 | -8.351 | -8.351 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 450 | VAL | 0 | 0.004 | -0.002 | 32.824 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 451 | SER | 0 | 0.024 | 0.037 | 35.495 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 452 | HIS | 0 | -0.008 | -0.012 | 38.331 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 453 | CYS | 0 | -0.073 | 0.027 | 32.337 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 454 | ARG | 1 | 0.922 | 0.954 | 32.790 | 8.868 | 8.868 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 455 | ALA | 0 | 0.053 | 0.007 | 30.410 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 456 | THR | 0 | 0.048 | 0.004 | 32.258 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 457 | GLU | -1 | -0.744 | -0.791 | 35.459 | -8.135 | -8.135 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 458 | TYR | 0 | -0.027 | -0.025 | 30.075 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 459 | ILE | 0 | 0.024 | 0.020 | 32.687 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 460 | MET | 0 | 0.022 | 0.021 | 34.845 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 461 | LYS | 1 | 0.834 | 0.939 | 35.268 | 8.966 | 8.966 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 462 | GLY | 0 | 0.026 | -0.001 | 35.005 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 463 | VAL | 0 | 0.018 | 0.016 | 35.946 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 464 | TYR | 0 | 0.013 | 0.013 | 38.459 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 465 | ILE | 0 | -0.049 | -0.013 | 37.020 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 466 | ASN | 0 | -0.024 | -0.031 | 34.444 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 467 | THR | 0 | 0.019 | -0.001 | 38.501 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 468 | ALA | 0 | -0.031 | -0.016 | 41.864 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 469 | LEU | 0 | -0.023 | -0.004 | 37.930 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 470 | LEU | 0 | 0.051 | 0.012 | 39.708 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 471 | ASN | 0 | -0.005 | -0.002 | 41.841 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 472 | ALA | 0 | 0.015 | 0.011 | 44.841 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 473 | SER | 0 | -0.054 | -0.048 | 42.098 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 474 | CYS | 0 | -0.055 | -0.021 | 44.456 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 475 | ALA | 0 | 0.007 | -0.005 | 46.849 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 476 | ALA | 0 | 0.035 | 0.032 | 48.588 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 477 | MET | 0 | 0.002 | 0.018 | 47.114 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 478 | ASP | -1 | -0.825 | -0.900 | 47.198 | -6.507 | -6.507 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 479 | ASP | -1 | -0.910 | -0.945 | 49.382 | -6.106 | -6.106 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 480 | PHE | 0 | -0.018 | -0.019 | 46.233 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 481 | GLN | 0 | 0.018 | 0.006 | 47.022 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 482 | LEU | 0 | 0.024 | 0.011 | 45.997 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 483 | ILE | 0 | -0.054 | -0.035 | 43.179 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 484 | PRO | 0 | 0.007 | 0.000 | 43.910 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 485 | MET | 0 | -0.047 | -0.002 | 37.319 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 486 | ILE | 0 | 0.016 | 0.006 | 42.338 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 487 | SER | 0 | 0.002 | -0.014 | 41.055 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 488 | LYS | 1 | 0.933 | 0.968 | 43.170 | 6.665 | 6.665 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 489 | CYS | 0 | -0.004 | 0.019 | 43.512 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 490 | ARG | 1 | 0.912 | 0.958 | 45.416 | 6.467 | 6.467 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 491 | THR | 0 | -0.012 | 0.000 | 46.082 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 492 | LYS | 1 | 0.933 | 0.983 | 41.988 | 7.269 | 7.269 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 493 | GLU | -1 | -0.935 | -0.978 | 47.395 | -6.260 | -6.260 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 494 | GLY | 0 | 0.007 | 0.010 | 49.974 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 495 | ARG | 1 | 0.951 | 0.989 | 51.319 | 5.881 | 5.881 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 496 | ARG | 1 | 0.907 | 0.969 | 50.478 | 5.651 | 5.651 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 497 | LYS | 1 | 0.944 | 0.972 | 45.160 | 6.988 | 6.988 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 498 | THR | 0 | 0.003 | 0.000 | 47.827 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 499 | ASN | 0 | -0.012 | -0.008 | 43.809 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 500 | LEU | 0 | 0.026 | 0.019 | 44.932 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 501 | TYR | 0 | -0.036 | -0.076 | 38.909 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 502 | GLY | 0 | 0.060 | 0.038 | 41.087 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 503 | PHE | 0 | -0.009 | -0.017 | 42.239 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 504 | ILE | 0 | 0.008 | 0.002 | 38.598 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 505 | ILE | 0 | 0.000 | 0.010 | 41.683 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 506 | LYS | 1 | 0.796 | 0.908 | 41.704 | 6.779 | 6.779 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 507 | GLY | 0 | 0.044 | 0.023 | 41.779 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 508 | ARG | 1 | 0.866 | 0.934 | 43.346 | 6.615 | 6.615 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 509 | SER | 0 | -0.025 | -0.010 | 42.629 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 510 | HIS | 0 | 0.014 | 0.002 | 43.587 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 511 | LEU | 0 | -0.007 | -0.003 | 39.328 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 512 | ARG | 1 | 0.864 | 0.922 | 42.003 | 6.920 | 6.920 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 513 | ASN | 0 | -0.008 | -0.008 | 38.128 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 514 | ASP | -1 | -0.831 | -0.927 | 35.242 | -8.583 | -8.583 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 515 | THR | 0 | 0.000 | -0.016 | 32.269 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 516 | ASP | -1 | -0.848 | -0.901 | 34.330 | -8.276 | -8.276 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 517 | VAL | 0 | -0.030 | -0.034 | 33.190 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 518 | VAL | 0 | -0.014 | 0.006 | 36.285 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 519 | ASN | 0 | 0.012 | -0.012 | 36.596 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 520 | PHE | 0 | -0.022 | -0.028 | 34.353 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 521 | VAL | 0 | 0.011 | 0.010 | 37.434 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 522 | SER | 0 | 0.004 | 0.003 | 35.566 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 523 | MET | 0 | -0.037 | -0.013 | 38.423 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 524 | GLU | -1 | -0.782 | -0.901 | 35.366 | -8.820 | -8.820 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 525 | PHE | 0 | 0.006 | 0.007 | 39.175 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 526 | SER | 0 | -0.001 | -0.030 | 36.618 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 527 | LEU | 0 | 0.016 | 0.007 | 38.970 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 528 | THR | 0 | -0.053 | -0.041 | 33.071 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 529 | ASP | -1 | -0.740 | -0.833 | 36.522 | -8.268 | -8.268 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 530 | PRO | 0 | -0.030 | -0.006 | 33.520 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 531 | ARG | 1 | 0.828 | 0.858 | 32.752 | 7.742 | 7.742 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 532 | LEU | 0 | -0.018 | 0.012 | 32.428 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 533 | GLU | -1 | -0.904 | -0.958 | 26.702 | -11.728 | -11.728 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 534 | PRO | 0 | 0.020 | 0.015 | 28.771 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 535 | HIS | 0 | 0.015 | 0.007 | 23.537 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 536 | LYS | 1 | 0.807 | 0.900 | 25.587 | 10.687 | 10.687 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 537 | TRP | 0 | -0.002 | -0.018 | 26.594 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 538 | GLU | -1 | -0.790 | -0.854 | 24.634 | -12.156 | -12.156 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 539 | LYS | 1 | 0.791 | 0.885 | 23.910 | 12.555 | 12.555 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 540 | TYR | 0 | 0.021 | 0.004 | 29.663 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 541 | CYS | 0 | -0.044 | 0.002 | 33.230 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 542 | VAL | 0 | -0.020 | -0.011 | 34.880 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 543 | LEU | 0 | -0.005 | -0.009 | 37.818 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 544 | GLU | -1 | -0.819 | -0.900 | 41.338 | -7.237 | -7.237 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 545 | VAL | 0 | -0.031 | -0.039 | 43.644 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 546 | GLY | 0 | 0.045 | 0.007 | 46.370 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 547 | ASP | -1 | -0.862 | -0.898 | 47.070 | -6.698 | -6.698 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 548 | MET | 0 | 0.006 | 0.001 | 46.167 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 549 | LEU | 0 | -0.030 | -0.003 | 48.364 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 550 | LEU | 0 | -0.013 | -0.009 | 44.307 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 551 | ARG | 1 | 1.000 | 0.990 | 48.469 | 6.162 | 6.162 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 552 | SER | 0 | -0.015 | -0.031 | 45.450 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 553 | ALA | 0 | 0.036 | 0.009 | 44.284 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 554 | ILE | 0 | -0.030 | -0.003 | 44.862 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 555 | GLY | 0 | 0.040 | 0.033 | 48.750 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 556 | HIS | 0 | -0.027 | -0.013 | 49.843 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 557 | VAL | 0 | -0.012 | 0.002 | 46.284 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 558 | SER | 0 | 0.024 | 0.015 | 49.119 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 559 | ARG | 1 | 0.911 | 0.943 | 43.169 | 6.998 | 6.998 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 560 | PRO | 0 | 0.089 | 0.062 | 42.612 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 561 | MET | 0 | -0.037 | -0.005 | 43.061 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 562 | PHE | 0 | 0.005 | -0.014 | 39.375 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 563 | LEU | 0 | -0.012 | -0.014 | 40.539 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 564 | TYR | 0 | -0.025 | -0.028 | 33.282 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 565 | VAL | 0 | 0.006 | -0.003 | 37.187 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 566 | ARG | 1 | 0.888 | 0.949 | 28.569 | 9.970 | 9.970 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 567 | THR | 0 | 0.045 | 0.041 | 34.943 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 568 | ASN | 0 | -0.008 | -0.013 | 30.688 | -0.569 | -0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 569 | GLY | 0 | 0.080 | 0.044 | 32.736 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 570 | THR | 0 | -0.072 | -0.034 | 32.418 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 571 | SER | 0 | 0.073 | 0.048 | 32.298 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 572 | LYS | 1 | 0.985 | 0.995 | 34.666 | 7.686 | 7.686 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 573 | ILE | 0 | -0.003 | 0.000 | 31.840 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 574 | LYS | 1 | 0.943 | 0.973 | 27.790 | 10.830 | 10.830 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 575 | MET | 0 | -0.027 | 0.011 | 32.602 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 576 | LYS | 1 | 0.903 | 0.949 | 35.927 | 8.375 | 8.375 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 577 | TRP | 0 | 0.047 | 0.023 | 31.435 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 578 | GLY | 0 | -0.009 | -0.005 | 33.623 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 579 | MET | 0 | -0.050 | -0.035 | 34.458 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 580 | GLU | -1 | -0.865 | -0.921 | 34.790 | -8.171 | -8.171 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 581 | MET | 0 | -0.049 | -0.011 | 30.725 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 582 | ARG | 1 | 0.971 | 0.979 | 33.814 | 7.579 | 7.579 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 583 | ARG | 1 | 0.807 | 0.883 | 33.454 | 8.515 | 8.515 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 584 | CYS | 0 | -0.035 | 0.004 | 29.307 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 585 | LEU | 0 | -0.004 | 0.001 | 31.191 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 586 | LEU | 0 | 0.022 | 0.022 | 33.391 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 587 | GLN | 0 | 0.052 | 0.019 | 27.380 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 588 | SER | 0 | 0.001 | -0.007 | 28.550 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 589 | LEU | 0 | -0.002 | 0.008 | 29.623 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 590 | GLN | 0 | 0.064 | 0.025 | 30.866 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 591 | GLN | 0 | -0.037 | -0.015 | 23.517 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 592 | ILE | 0 | -0.029 | -0.014 | 27.903 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 593 | GLU | -1 | -0.919 | -0.978 | 29.786 | -8.415 | -8.415 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 594 | SER | 0 | -0.009 | -0.003 | 27.660 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 595 | MET | 0 | -0.024 | -0.014 | 25.687 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 596 | ILE | 0 | 0.002 | 0.016 | 28.632 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 597 | GLU | -1 | -0.834 | -0.913 | 31.889 | -8.083 | -8.083 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 598 | ALA | 0 | -0.011 | 0.002 | 28.373 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 599 | GLU | -1 | -0.944 | -0.987 | 29.846 | -9.006 | -9.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 600 | SER | 0 | -0.029 | -0.034 | 31.757 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 601 | SER | 0 | -0.029 | -0.007 | 32.603 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 602 | VAL | 0 | -0.036 | -0.008 | 30.210 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 603 | LYS | 1 | 0.871 | 0.916 | 33.556 | 8.270 | 8.270 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 604 | GLU | -1 | -0.938 | -0.948 | 36.441 | -7.069 | -7.069 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 605 | LYS | 1 | 0.857 | 0.935 | 38.392 | 7.409 | 7.409 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 606 | ASP | -1 | -0.803 | -0.889 | 38.101 | -7.787 | -7.787 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 607 | MET | 0 | -0.047 | -0.014 | 34.426 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 608 | THR | 0 | 0.037 | 0.014 | 35.855 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 609 | LYS | 1 | 0.907 | 0.958 | 36.967 | 6.659 | 6.659 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 610 | GLU | -1 | -0.879 | -0.963 | 36.288 | -7.378 | -7.378 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 611 | PHE | 0 | 0.060 | 0.047 | 28.878 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 612 | PHE | 0 | 0.016 | -0.014 | 33.531 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 613 | GLU | -1 | -0.853 | -0.902 | 35.419 | -7.023 | -7.023 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 614 | ASN | 0 | -0.049 | -0.013 | 31.840 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 615 | LYS | 1 | 0.820 | 0.913 | 34.368 | 7.237 | 7.237 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 624 | SER | 0 | 0.051 | 0.015 | 29.767 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 625 | PRO | 0 | 0.065 | 0.034 | 27.722 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 626 | LYS | 1 | 0.846 | 0.907 | 28.347 | 8.921 | 8.921 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 627 | GLY | 0 | 0.015 | 0.012 | 28.381 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 628 | VAL | 0 | -0.007 | 0.001 | 26.552 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 629 | GLU | -1 | -0.946 | -0.951 | 18.966 | -13.208 | -13.208 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 630 | GLU | -1 | -0.851 | -0.936 | 22.404 | -11.967 | -11.967 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 631 | GLY | 0 | -0.069 | -0.038 | 24.618 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 632 | SER | 0 | -0.042 | -0.034 | 27.977 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 633 | ILE | 0 | 0.121 | 0.060 | 29.063 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 634 | GLY | 0 | 0.068 | 0.036 | 30.381 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 635 | LYS | 1 | 0.884 | 0.943 | 26.255 | 10.643 | 10.643 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 636 | VAL | 0 | 0.090 | 0.067 | 25.465 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 637 | CYS | 0 | -0.024 | -0.006 | 26.932 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 638 | ARG | 1 | 0.832 | 0.909 | 29.281 | 8.936 | 8.936 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 639 | THR | 0 | -0.013 | -0.021 | 22.882 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 640 | LEU | 0 | -0.019 | -0.007 | 23.564 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 641 | LEU | 0 | 0.019 | 0.023 | 25.780 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 642 | ALA | 0 | -0.005 | -0.013 | 26.208 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 643 | LYS | 1 | 0.921 | 0.960 | 18.828 | 14.444 | 14.444 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 644 | SER | 0 | -0.009 | 0.014 | 24.154 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 645 | VAL | 0 | 0.012 | -0.012 | 26.496 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 646 | PHE | 0 | -0.013 | -0.024 | 23.281 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 647 | ASN | 0 | 0.062 | 0.037 | 21.483 | -0.709 | -0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 648 | SER | 0 | -0.029 | 0.001 | 23.849 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 649 | LEU | 0 | -0.061 | -0.046 | 26.856 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 650 | TYR | 0 | -0.108 | -0.080 | 22.144 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 651 | ALA | 0 | 0.059 | 0.057 | 22.274 | -0.646 | -0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 652 | SER | 0 | -0.052 | -0.051 | 19.483 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 653 | PRO | 0 | 0.057 | 0.015 | 19.633 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 654 | GLN | 0 | 0.073 | 0.039 | 15.148 | -1.136 | -1.136 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 655 | LEU | 0 | 0.017 | 0.002 | 15.546 | -1.140 | -1.140 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 656 | GLU | -1 | -0.937 | -0.957 | 17.417 | -14.942 | -14.942 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 657 | GLY | 0 | 0.012 | 0.004 | 15.379 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 658 | PHE | 0 | 0.072 | 0.025 | 10.016 | -0.822 | -0.822 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 659 | SER | 0 | -0.022 | -0.014 | 13.400 | -0.842 | -0.842 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 660 | ALA | 0 | -0.037 | -0.013 | 15.958 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 661 | GLU | -1 | -0.893 | -0.969 | 11.311 | -23.291 | -23.291 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 662 | SER | 0 | 0.000 | -0.008 | 10.584 | -0.934 | -0.934 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 663 | ARG | 1 | 0.944 | 0.987 | 11.542 | 16.541 | 16.541 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 664 | LYS | 1 | 0.926 | 0.954 | 12.806 | 20.714 | 20.714 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 665 | LEU | 0 | 0.042 | 0.038 | 5.541 | 0.610 | 0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 666 | LEU | 0 | -0.037 | -0.020 | 8.856 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 667 | LEU | 0 | -0.039 | -0.022 | 10.422 | 0.735 | 0.735 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 668 | ILE | 0 | -0.004 | 0.020 | 8.773 | 1.239 | 1.239 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 669 | VAL | 0 | 0.018 | -0.002 | 5.479 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 670 | GLN | 0 | -0.013 | -0.015 | 8.083 | 1.217 | 1.217 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 671 | ALA | 0 | 0.024 | 0.034 | 11.288 | 0.886 | 0.886 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 672 | LEU | 0 | -0.019 | 0.003 | 7.424 | 0.867 | 0.867 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 673 | ARG | 1 | 0.850 | 0.922 | 7.320 | 21.253 | 21.253 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 674 | ASP | -1 | -0.897 | -0.959 | 10.993 | -15.001 | -15.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 675 | ASN | 0 | -0.136 | -0.074 | 14.036 | 1.575 | 1.575 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 676 | LEU | 0 | -0.064 | -0.034 | 11.110 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 677 | GLU | -1 | -0.873 | -0.897 | 10.661 | -17.252 | -17.252 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 678 | PRO | 0 | -0.012 | -0.017 | 8.372 | -1.232 | -1.232 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 679 | GLY | 0 | 0.029 | 0.014 | 6.887 | -1.183 | -1.183 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 680 | THR | 0 | -0.061 | -0.043 | 3.078 | -2.933 | -2.283 | 0.058 | -0.252 | -0.457 | 0.000 |
382 | A | 681 | PHE | 0 | -0.050 | -0.036 | 1.898 | -17.287 | -17.505 | 9.552 | -4.428 | -4.906 | -0.042 |
383 | A | 682 | ASP | -1 | -0.767 | -0.897 | 4.201 | -25.946 | -25.798 | 0.001 | -0.059 | -0.090 | 0.000 |
384 | A | 683 | LEU | 0 | -0.046 | -0.004 | 4.408 | -7.421 | -7.263 | -0.001 | -0.012 | -0.144 | 0.000 |
385 | A | 684 | GLY | 0 | 0.031 | 0.002 | 6.213 | -2.576 | -2.576 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 685 | GLY | 0 | -0.036 | -0.032 | 6.727 | 4.980 | 4.980 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 686 | LEU | 0 | -0.029 | 0.003 | 8.054 | 2.331 | 2.331 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 687 | TYR | 0 | -0.013 | -0.035 | 2.279 | -6.150 | -3.714 | 7.007 | -2.953 | -6.490 | -0.029 |
389 | A | 688 | GLU | -1 | -0.825 | -0.906 | 4.683 | -54.208 | -54.110 | -0.001 | -0.007 | -0.090 | 0.000 |
390 | A | 689 | ALA | 0 | 0.007 | 0.023 | 7.232 | 2.763 | 2.763 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 690 | ILE | 0 | -0.015 | -0.015 | 7.212 | 2.158 | 2.158 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 691 | GLU | -1 | -0.766 | -0.899 | 2.457 | -91.004 | -85.645 | 1.183 | -3.561 | -2.982 | -0.044 |
393 | A | 692 | GLU | -1 | -0.940 | -0.944 | 7.030 | -22.178 | -22.178 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 693 | CYS | 0 | -0.114 | -0.048 | 10.176 | 3.381 | 3.381 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 694 | LEU | 0 | -0.077 | -0.035 | 7.184 | 2.141 | 2.141 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 695 | ILE | 0 | 0.028 | 0.029 | 10.668 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 696 | ASN | 0 | -0.011 | -0.023 | 13.456 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 697 | ASP | -1 | -0.812 | -0.883 | 16.038 | -14.488 | -14.488 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 698 | PRO | 0 | 0.017 | -0.008 | 16.589 | -0.766 | -0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 699 | TRP | 0 | -0.001 | -0.003 | 17.850 | -0.478 | -0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 700 | VAL | 0 | 0.013 | 0.023 | 13.176 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 701 | LEU | 0 | 0.026 | 0.013 | 12.071 | -1.354 | -1.354 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 702 | LEU | 0 | -0.027 | -0.006 | 13.328 | -0.998 | -0.998 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 703 | ASN | 0 | -0.034 | -0.034 | 14.851 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 704 | ALA | 0 | 0.046 | 0.028 | 9.373 | -0.710 | -0.710 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 705 | SER | 0 | -0.031 | -0.016 | 10.268 | -2.019 | -2.019 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 706 | TRP | 0 | -0.071 | -0.062 | 11.977 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 707 | PHE | 0 | 0.028 | 0.014 | 6.845 | 0.735 | 0.735 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 708 | ASN | 0 | 0.054 | 0.024 | 7.038 | -3.311 | -3.311 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 709 | SER | 0 | -0.038 | -0.007 | 7.966 | 0.780 | 0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 710 | PHE | 0 | -0.024 | -0.018 | 8.636 | 1.045 | 1.045 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 711 | LEU | 0 | -0.024 | -0.001 | 3.466 | -0.094 | 0.215 | 0.003 | -0.067 | -0.245 | 0.000 |
413 | A | 712 | THR | 0 | -0.072 | -0.034 | 6.457 | 0.924 | 0.924 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 713 | HIS | 0 | -0.026 | 0.001 | 7.964 | 0.898 | 0.898 | 0.000 | 0.000 | 0.000 | 0.000 |