FMODB ID: K9ZQ3
Calculation Name: 4XVI-A-Xray372
Preferred Name: DNA polymerase nu
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 4XVI
Chain ID: A
ChEMBL ID: CHEMBL2010628
UniProt ID: Q7Z5Q5
Base Structure: X-ray
Registration Date: 2023-06-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 650 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14666093.011745 |
---|---|
FMO2-HF: Nuclear repulsion | 14409572.097118 |
FMO2-HF: Total energy | -256520.914627 |
FMO2-MP2: Total energy | -257268.02274 |
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:194:LYS)
Summations of interaction energy for
fragment #1(A:194:LYS)
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. |
23.484 | 30.55 | 3.94 | -3.53 | -7.475 | -0.019 |
Interaction energy analysis for fragmet #1(A:194:LYS)
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 | 196 | HIS | 0 | 0.037 | 0.005 | 2.511 | -1.900 | 3.326 | 3.702 | -2.823 | -6.105 | -0.017 |
4 | A | 197 | PHE | 0 | 0.004 | -0.003 | 2.652 | 4.296 | 5.486 | 0.239 | -0.438 | -0.990 | 0.000 |
5 | A | 198 | CYS | 0 | -0.011 | 0.015 | 4.278 | -1.828 | -1.790 | -0.001 | -0.016 | -0.022 | 0.000 |
6 | A | 199 | ASP | -1 | -0.795 | -0.884 | 7.127 | -17.236 | -17.236 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 200 | ILE | 0 | 0.034 | 0.001 | 9.908 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 201 | ARG | 1 | 0.845 | 0.912 | 12.900 | 17.158 | 17.158 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 202 | HIS | 0 | -0.015 | -0.016 | 11.016 | 0.892 | 0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 203 | LEU | 0 | -0.054 | 0.004 | 11.267 | -0.783 | -0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 204 | ASP | -1 | -0.802 | -0.896 | 13.808 | -17.832 | -17.832 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 205 | ASP | -1 | -0.871 | -0.957 | 16.891 | -14.816 | -14.816 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 206 | TRP | 0 | 0.021 | 0.002 | 14.220 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 207 | ALA | 0 | 0.036 | 0.014 | 14.057 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 208 | LYS | 1 | 0.845 | 0.942 | 16.101 | 16.204 | 16.204 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 209 | SER | 0 | -0.008 | -0.009 | 17.593 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 210 | GLN | 0 | -0.007 | 0.000 | 16.300 | 1.108 | 1.108 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 211 | LEU | 0 | -0.002 | 0.009 | 13.312 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 212 | ILE | 0 | -0.025 | -0.016 | 16.552 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 213 | GLU | -1 | -0.889 | -0.943 | 19.715 | -12.846 | -12.846 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 214 | MET | 0 | -0.009 | -0.009 | 12.260 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 215 | LEU | 0 | -0.049 | -0.028 | 16.116 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 216 | LYS | 1 | 0.869 | 0.943 | 19.149 | 13.002 | 13.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 217 | GLN | 0 | -0.095 | -0.048 | 19.866 | 0.650 | 0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 218 | ALA | 0 | -0.033 | 0.010 | 18.262 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 219 | ALA | 0 | -0.012 | -0.001 | 18.494 | 0.811 | 0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 220 | ALA | 0 | -0.021 | -0.031 | 18.787 | 0.796 | 0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 221 | LEU | 0 | 0.009 | 0.017 | 16.771 | -1.130 | -1.130 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 222 | VAL | 0 | -0.043 | -0.019 | 15.266 | 0.754 | 0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 223 | ILE | 0 | 0.015 | 0.016 | 14.983 | -1.059 | -1.059 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 224 | THR | 0 | 0.026 | 0.006 | 13.992 | 0.804 | 0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 225 | VAL | 0 | -0.005 | -0.002 | 15.687 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 226 | MET | 0 | -0.027 | -0.006 | 10.152 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 227 | TYR | 0 | 0.028 | 0.001 | 15.579 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 228 | THR | 0 | 0.013 | -0.018 | 16.297 | -0.674 | -0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 229 | ASP | -1 | -0.814 | -0.837 | 17.568 | -12.619 | -12.619 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 230 | GLY | 0 | 0.021 | 0.028 | 14.340 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 231 | SER | 0 | 0.080 | 0.046 | 15.060 | -0.534 | -0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 232 | THR | 0 | -0.006 | -0.023 | 14.168 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 233 | GLN | 0 | -0.024 | -0.012 | 17.269 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 234 | LEU | 0 | -0.038 | -0.016 | 15.503 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 235 | GLY | 0 | 0.001 | 0.042 | 19.317 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 236 | ALA | 0 | 0.047 | 0.006 | 19.725 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 237 | ASP | -1 | -0.951 | -0.985 | 21.636 | -11.584 | -11.584 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 238 | GLN | 0 | 0.019 | 0.003 | 24.120 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 239 | THR | 0 | -0.099 | -0.058 | 26.577 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 240 | PRO | 0 | 0.024 | 0.036 | 22.697 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 241 | VAL | 0 | 0.010 | -0.004 | 24.662 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 242 | SER | 0 | -0.068 | -0.070 | 21.362 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 243 | SER | 0 | 0.031 | 0.003 | 22.922 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 244 | VAL | 0 | -0.027 | -0.034 | 19.225 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 245 | ARG | 1 | 0.953 | 1.002 | 13.494 | 15.764 | 15.764 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 246 | GLY | 0 | 0.037 | 0.000 | 15.061 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 247 | ILE | 0 | -0.034 | 0.000 | 15.382 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 248 | VAL | 0 | -0.025 | -0.006 | 9.866 | -0.882 | -0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 249 | VAL | 0 | 0.028 | 0.006 | 12.073 | 0.851 | 0.851 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 250 | LEU | 0 | -0.020 | -0.023 | 10.725 | -1.621 | -1.621 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 251 | VAL | 0 | 0.012 | 0.003 | 12.301 | 1.571 | 1.571 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 252 | LYS | 1 | 0.914 | 0.974 | 13.268 | 17.887 | 17.887 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 253 | ARG | 1 | 1.062 | 1.025 | 14.206 | 17.977 | 17.977 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 254 | GLN | 0 | 0.036 | 0.009 | 15.866 | 1.416 | 1.416 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 255 | ALA | 0 | -0.041 | -0.024 | 17.362 | -0.622 | -0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 256 | GLU | -1 | -0.971 | -0.974 | 19.498 | -14.295 | -14.295 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 257 | GLY | 0 | 0.036 | 0.020 | 20.950 | 0.686 | 0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 267 | CYM | -1 | -0.932 | -0.967 | 19.588 | -14.095 | -14.095 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 268 | GLY | 0 | -0.061 | -0.029 | 18.823 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 269 | PRO | 0 | -0.025 | -0.025 | 14.232 | -0.714 | -0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 270 | VAL | 0 | 0.044 | 0.022 | 12.837 | 1.026 | 1.026 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 271 | LEU | 0 | -0.048 | -0.015 | 10.379 | -2.372 | -2.372 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 272 | GLU | -1 | -0.833 | -0.930 | 10.947 | -19.615 | -19.615 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 273 | GLY | 0 | 0.019 | 0.010 | 9.856 | 1.101 | 1.101 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 274 | PHE | 0 | 0.047 | 0.019 | 9.433 | -3.150 | -3.150 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 275 | VAL | 0 | -0.044 | -0.045 | 7.226 | -3.076 | -3.076 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 276 | SER | 0 | -0.058 | -0.034 | 3.657 | -8.101 | -7.611 | 0.001 | -0.235 | -0.255 | -0.002 |
75 | A | 277 | ASP | -1 | -0.811 | -0.883 | 5.848 | -22.975 | -22.975 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 278 | ASP | -1 | -0.957 | -0.942 | 7.130 | -27.704 | -27.704 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 279 | PRO | 0 | -0.004 | 0.019 | 7.893 | -2.239 | -2.239 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 280 | CYS | 0 | -0.060 | -0.031 | 6.881 | 2.889 | 2.889 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 281 | ILE | 0 | 0.018 | 0.027 | 7.499 | -1.987 | -1.987 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 282 | TYR | 0 | -0.064 | -0.048 | 9.196 | 1.078 | 1.078 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 283 | ILE | 0 | 0.042 | 0.014 | 10.893 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 284 | GLN | 0 | 0.009 | 0.001 | 14.330 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 285 | ILE | 0 | -0.020 | -0.010 | 16.202 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 286 | GLU | -1 | -0.997 | -0.996 | 18.862 | -12.250 | -12.250 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 287 | HIS | 0 | 0.003 | 0.007 | 20.417 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 288 | SER | 0 | 0.004 | 0.007 | 21.544 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 289 | ALA | 0 | -0.022 | -0.020 | 22.945 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 290 | ILE | 0 | 0.001 | -0.002 | 25.558 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 291 | TRP | 0 | -0.028 | -0.001 | 25.319 | -0.443 | -0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 292 | ASP | -1 | -0.842 | -0.946 | 25.727 | -10.539 | -10.539 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 293 | GLN | 0 | 0.015 | -0.007 | 27.324 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 294 | GLU | -1 | -0.899 | -0.943 | 22.436 | -12.481 | -12.481 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 295 | GLN | 0 | -0.039 | -0.015 | 21.038 | -0.719 | -0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 296 | GLU | -1 | -0.879 | -0.927 | 23.568 | -10.203 | -10.203 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 297 | ALA | 0 | 0.015 | 0.007 | 23.317 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 298 | HIS | 0 | 0.003 | -0.018 | 18.860 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 299 | GLN | 0 | -0.002 | -0.004 | 20.389 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 300 | GLN | 0 | 0.014 | 0.011 | 22.682 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 301 | PHE | 0 | 0.008 | -0.003 | 16.174 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 302 | ALA | 0 | 0.008 | 0.002 | 18.784 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 303 | ARG | 1 | 0.873 | 0.951 | 19.739 | 10.233 | 10.233 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 304 | ASN | 0 | -0.036 | -0.011 | 22.098 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 305 | VAL | 0 | 0.023 | 0.007 | 16.466 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 306 | LEU | 0 | 0.020 | 0.000 | 18.611 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 307 | PHE | 0 | 0.020 | 0.008 | 21.000 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 308 | GLN | 0 | -0.025 | -0.025 | 21.125 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 309 | THR | 0 | -0.025 | -0.007 | 19.185 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 310 | MET | 0 | -0.085 | -0.037 | 21.536 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 311 | LYS | 1 | 0.944 | 0.983 | 25.061 | 11.201 | 11.201 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 312 | CYS | 0 | -0.072 | -0.009 | 22.999 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 313 | LYS | 1 | 0.997 | 0.982 | 25.075 | 11.116 | 11.116 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 314 | CYS | 0 | -0.011 | 0.024 | 22.150 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 315 | PRO | 0 | -0.026 | -0.022 | 23.319 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 316 | VAL | 0 | 0.063 | 0.041 | 20.765 | -0.739 | -0.739 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 317 | ILE | 0 | -0.015 | 0.005 | 20.104 | 0.551 | 0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 318 | CYS | 0 | -0.056 | -0.022 | 19.692 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 319 | PHE | 0 | 0.002 | 0.002 | 20.592 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 320 | ASN | 0 | 0.040 | 0.025 | 22.375 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 321 | ALA | 0 | 0.049 | 0.017 | 23.754 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 322 | LYS | 1 | 0.866 | 0.939 | 25.254 | 9.074 | 9.074 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 323 | ASP | -1 | -0.864 | -0.936 | 24.336 | -10.304 | -10.304 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 324 | PHE | 0 | 0.039 | 0.014 | 19.604 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 325 | VAL | 0 | 0.036 | 0.014 | 23.050 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 326 | ARG | 1 | 0.850 | 0.939 | 25.906 | 9.873 | 9.873 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 327 | ILE | 0 | -0.052 | -0.026 | 21.385 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 328 | VAL | 0 | 0.016 | 0.008 | 21.921 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 329 | LEU | 0 | -0.033 | -0.009 | 24.260 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 330 | GLN | 0 | -0.069 | -0.057 | 26.920 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 331 | PHE | 0 | -0.015 | 0.006 | 21.046 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 332 | PHE | 0 | -0.024 | -0.015 | 24.311 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 333 | GLY | 0 | 0.008 | 0.009 | 27.407 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 334 | ASN | 0 | -0.047 | -0.038 | 30.390 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 335 | ASP | -1 | -0.825 | -0.906 | 28.579 | -9.700 | -9.700 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 336 | GLY | 0 | -0.043 | -0.006 | 30.671 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 337 | SER | 0 | 0.018 | 0.005 | 31.594 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 338 | TRP | 0 | 0.014 | -0.023 | 32.480 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 339 | LYS | 1 | 0.870 | 0.935 | 33.723 | 7.295 | 7.295 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 340 | HIS | 0 | -0.043 | -0.001 | 29.874 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 341 | VAL | 0 | 0.022 | -0.004 | 28.202 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 342 | ALA | 0 | -0.043 | -0.017 | 30.295 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 343 | ASP | -1 | -0.887 | -0.938 | 31.825 | -8.754 | -8.754 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 344 | PHE | 0 | -0.033 | -0.012 | 23.797 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 345 | ILE | 0 | -0.019 | -0.020 | 28.022 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 346 | GLY | 0 | -0.021 | 0.006 | 25.204 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 347 | LEU | 0 | -0.056 | -0.054 | 24.619 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 348 | ASP | -1 | -0.756 | -0.906 | 24.497 | -11.146 | -11.146 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 349 | PRO | 0 | 0.012 | 0.000 | 23.358 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 350 | ARG | 1 | 0.951 | 0.971 | 26.663 | 10.510 | 10.510 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 351 | ILE | 0 | -0.020 | -0.008 | 28.450 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 352 | ALA | 0 | 0.010 | 0.010 | 29.741 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 353 | ALA | 0 | 0.038 | 0.002 | 29.904 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 354 | TRP | 0 | -0.058 | 0.003 | 31.817 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 355 | LEU | 0 | -0.057 | -0.034 | 34.333 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 356 | ILE | 0 | -0.047 | -0.016 | 33.050 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 357 | ASP | -1 | -0.928 | -0.978 | 35.618 | -7.725 | -7.725 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 358 | PRO | 0 | -0.008 | 0.009 | 36.513 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 359 | SER | 0 | -0.138 | -0.072 | 38.537 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 360 | ASP | -1 | -0.857 | -0.925 | 33.151 | -8.635 | -8.635 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 361 | ALA | 0 | -0.003 | 0.003 | 34.746 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 362 | THR | 0 | -0.099 | -0.063 | 30.783 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 363 | PRO | 0 | 0.099 | 0.085 | 28.929 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 364 | SER | 0 | -0.018 | -0.022 | 24.726 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 365 | PHE | 0 | 0.023 | -0.013 | 18.082 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 366 | GLU | -1 | -0.921 | -0.971 | 21.910 | -12.544 | -12.544 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 367 | ASP | -1 | -0.794 | -0.881 | 23.019 | -10.196 | -10.196 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 368 | LEU | 0 | -0.022 | -0.030 | 25.002 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 369 | VAL | 0 | -0.017 | -0.034 | 20.700 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 370 | GLU | -1 | -0.913 | -0.953 | 24.071 | -10.165 | -10.165 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 371 | LYS | 1 | 0.845 | 0.947 | 26.546 | 9.358 | 9.358 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 372 | TYR | 0 | -0.107 | -0.077 | 27.809 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 373 | CYS | 0 | -0.005 | 0.052 | 22.618 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 374 | GLU | -1 | -0.940 | -0.939 | 25.994 | -10.076 | -10.076 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 375 | LYS | 1 | 1.029 | 0.984 | 24.481 | 10.088 | 10.088 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 376 | SER | 0 | -0.126 | -0.064 | 23.445 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 377 | ILE | 0 | 0.031 | 0.029 | 18.907 | -0.475 | -0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 378 | THR | 0 | -0.016 | 0.002 | 18.137 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 379 | VAL | 0 | 0.019 | 0.008 | 16.718 | -0.939 | -0.939 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 380 | LYS | 1 | 0.933 | 0.970 | 14.313 | 17.050 | 17.050 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 381 | VAL | 0 | 0.019 | -0.003 | 14.809 | -1.061 | -1.061 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 382 | ASN | 0 | 0.044 | 0.027 | 16.973 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 383 | SER | 0 | -0.125 | -0.051 | 12.698 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 384 | THR | 0 | 0.046 | -0.004 | 15.002 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 385 | TYR | 0 | -0.057 | -0.066 | 11.370 | -0.681 | -0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 386 | GLY | 0 | 0.028 | 0.023 | 15.425 | 0.639 | 0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 387 | ASN | 0 | 0.013 | 0.065 | 16.513 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 388 | SER | 0 | -0.081 | -0.056 | 13.114 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 389 | SER | 0 | 0.052 | 0.015 | 10.301 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 390 | ARG | 1 | 1.034 | 1.012 | 8.505 | 21.053 | 21.053 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 391 | ASN | 0 | 0.003 | -0.005 | 3.821 | 1.997 | 2.119 | -0.001 | -0.018 | -0.103 | 0.000 |
190 | A | 392 | ILE | 0 | 0.010 | 0.016 | 6.224 | -1.336 | -1.336 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 393 | VAL | 0 | 0.071 | 0.048 | 8.943 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 394 | ASN | 0 | -0.018 | -0.020 | 5.162 | 1.855 | 1.855 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 395 | GLN | 0 | -0.016 | -0.003 | 5.544 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 396 | ASN | 0 | 0.030 | -0.008 | 6.417 | 1.165 | 1.165 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 397 | VAL | 0 | 0.055 | 0.044 | 9.278 | 0.850 | 0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 398 | ARG | 1 | 0.819 | 0.830 | 6.201 | 34.922 | 34.922 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 399 | GLU | -1 | -0.958 | -0.981 | 9.245 | -25.461 | -25.461 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 400 | ASN | 0 | 0.016 | -0.015 | 11.367 | 1.087 | 1.087 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 401 | LEU | 0 | 0.009 | 0.013 | 11.239 | 1.041 | 1.041 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 402 | LYS | 1 | 0.902 | 0.949 | 9.719 | 26.961 | 26.961 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 403 | THR | 0 | 0.018 | 0.011 | 14.858 | 1.007 | 1.007 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 404 | LEU | 0 | 0.018 | 0.017 | 16.988 | 0.867 | 0.867 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 405 | TYR | 0 | -0.014 | -0.002 | 17.855 | 0.644 | 0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 406 | ARG | 1 | 0.952 | 0.966 | 16.385 | 16.814 | 16.814 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 407 | LEU | 0 | 0.107 | 0.040 | 20.981 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 408 | THR | 0 | -0.046 | -0.031 | 22.124 | 0.734 | 0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 409 | MET | 0 | -0.058 | -0.020 | 22.905 | 0.645 | 0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 410 | ASP | -1 | -0.805 | -0.895 | 25.240 | -11.676 | -11.676 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 411 | LEU | 0 | -0.036 | -0.009 | 26.486 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 412 | CYS | 0 | -0.075 | -0.035 | 27.527 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 413 | SER | 0 | -0.054 | -0.042 | 29.693 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 414 | LYS | 1 | 1.048 | 1.027 | 31.458 | 9.593 | 9.593 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 415 | LEU | 0 | -0.032 | -0.013 | 32.263 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 416 | LYS | 1 | 0.866 | 0.931 | 31.005 | 10.190 | 10.190 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 417 | ASP | -1 | -0.878 | -0.919 | 35.325 | -8.633 | -8.633 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 418 | TYR | 0 | -0.119 | -0.076 | 36.346 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 419 | GLY | 0 | 0.022 | 0.023 | 39.185 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 420 | LEU | 0 | -0.030 | -0.019 | 37.230 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 421 | TRP | 0 | 0.025 | 0.007 | 30.262 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 422 | GLN | 0 | 0.050 | 0.015 | 36.115 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 423 | LEU | 0 | 0.039 | 0.039 | 38.611 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 424 | PHE | 0 | 0.004 | -0.014 | 29.218 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 425 | ARG | 1 | 0.919 | 0.952 | 31.210 | 9.434 | 9.434 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 426 | THR | 0 | 0.005 | -0.002 | 34.664 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 427 | LEU | 0 | -0.013 | -0.008 | 37.784 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 428 | GLU | -1 | -0.784 | -0.865 | 34.388 | -8.052 | -8.052 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 429 | LEU | 0 | -0.004 | 0.017 | 29.742 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 430 | PRO | 0 | 0.044 | 0.032 | 32.039 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 431 | LEU | 0 | 0.033 | 0.005 | 34.237 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 432 | ILE | 0 | -0.017 | -0.002 | 28.283 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 433 | PRO | 0 | 0.051 | 0.028 | 30.455 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 434 | ILE | 0 | 0.012 | 0.020 | 31.518 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 435 | LEU | 0 | -0.023 | -0.024 | 33.055 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 436 | ALA | 0 | 0.001 | -0.001 | 29.668 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 437 | VAL | 0 | 0.000 | 0.008 | 31.591 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 438 | MET | 0 | -0.046 | -0.014 | 34.018 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 439 | GLU | -1 | -0.812 | -0.898 | 31.650 | -8.735 | -8.735 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 440 | SER | 0 | -0.046 | -0.024 | 31.467 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 441 | HIS | 0 | -0.068 | -0.026 | 33.502 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 442 | ALA | 0 | -0.021 | -0.002 | 37.219 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 443 | ILE | 0 | 0.045 | 0.020 | 39.623 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 444 | GLN | 0 | -0.012 | -0.020 | 43.348 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 445 | VAL | 0 | -0.034 | -0.029 | 45.587 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 446 | ASN | 0 | 0.007 | 0.019 | 47.964 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 447 | LYS | 1 | 0.980 | 0.985 | 45.739 | 6.259 | 6.259 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 448 | GLU | -1 | -0.816 | -0.938 | 50.315 | -5.586 | -5.586 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 449 | GLU | -1 | -0.901 | -0.962 | 53.843 | -5.129 | -5.129 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 450 | MET | 0 | -0.032 | 0.011 | 48.838 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 451 | GLU | -1 | -0.944 | -0.956 | 52.884 | -5.488 | -5.488 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 452 | LYS | 1 | 0.951 | 0.968 | 54.223 | 5.185 | 5.185 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 453 | THR | 0 | -0.014 | 0.000 | 56.392 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 454 | SER | 0 | -0.014 | -0.019 | 53.785 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 455 | ALA | 0 | 0.019 | 0.009 | 56.354 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 456 | LEU | 0 | -0.025 | -0.015 | 59.086 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 457 | LEU | 0 | 0.007 | -0.003 | 57.139 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 458 | GLY | 0 | -0.012 | 0.001 | 59.662 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 459 | ALA | 0 | 0.020 | 0.009 | 60.242 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 460 | ARG | 1 | 0.873 | 0.935 | 63.553 | 4.510 | 4.510 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 461 | LEU | 0 | -0.026 | -0.015 | 58.460 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 462 | LYS | 1 | 0.894 | 0.948 | 62.027 | 4.816 | 4.816 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 463 | GLU | -1 | -0.859 | -0.918 | 64.980 | -4.328 | -4.328 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 464 | LEU | 0 | 0.014 | 0.002 | 64.447 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 465 | GLU | -1 | -0.917 | -0.962 | 63.616 | -4.760 | -4.760 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 466 | GLN | 0 | -0.005 | 0.003 | 66.553 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 467 | GLU | -1 | -0.902 | -0.966 | 69.868 | -4.215 | -4.215 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 468 | ALA | 0 | -0.007 | -0.009 | 68.101 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 469 | HIS | 0 | -0.069 | -0.058 | 66.177 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 470 | PHE | 0 | -0.043 | -0.005 | 70.959 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 471 | VAL | 0 | -0.004 | -0.005 | 72.889 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 472 | ALA | 0 | -0.050 | -0.023 | 71.388 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 473 | GLY | 0 | -0.006 | 0.003 | 73.475 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 474 | GLU | -1 | -0.918 | -0.973 | 70.307 | -4.288 | -4.288 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 475 | ARG | 1 | 0.965 | 0.987 | 66.392 | 4.451 | 4.451 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 476 | PHE | 0 | 0.012 | 0.012 | 65.355 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 477 | LEU | 0 | -0.022 | -0.004 | 58.658 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 478 | ILE | 0 | 0.053 | 0.027 | 61.322 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 479 | THR | 0 | -0.015 | -0.011 | 57.353 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 480 | SER | 0 | -0.008 | 0.006 | 58.308 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 481 | ASN | 0 | 0.033 | -0.012 | 57.733 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 482 | ASN | 0 | -0.022 | -0.014 | 59.759 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 483 | GLN | 0 | 0.131 | 0.061 | 62.142 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 484 | LEU | 0 | 0.057 | 0.045 | 64.231 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 485 | ARG | 1 | 0.849 | 0.916 | 63.288 | 4.832 | 4.832 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 486 | GLU | -1 | -0.892 | -0.951 | 66.174 | -4.398 | -4.398 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 487 | ILE | 0 | 0.008 | 0.010 | 68.376 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 488 | LEU | 0 | 0.006 | -0.003 | 67.870 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 489 | PHE | 0 | -0.020 | -0.027 | 67.406 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 490 | GLY | 0 | 0.059 | 0.040 | 71.006 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 491 | LYS | 1 | 0.843 | 0.930 | 72.491 | 4.197 | 4.197 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 492 | LEU | 0 | -0.044 | -0.019 | 73.474 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 493 | LYS | 1 | 0.855 | 0.943 | 74.903 | 4.086 | 4.086 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 494 | LEU | 0 | 0.036 | 0.006 | 73.332 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 495 | HIS | 0 | -0.025 | -0.013 | 72.680 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 496 | LEU | 0 | -0.035 | -0.026 | 74.697 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 497 | LEU | 0 | 0.018 | 0.048 | 77.926 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 498 | SER | 0 | 0.023 | -0.021 | 79.284 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 499 | GLN | 0 | -0.013 | 0.002 | 75.676 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 500 | ARG | 1 | 1.025 | 1.034 | 76.037 | 3.779 | 3.779 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 501 | ASN | 0 | -0.088 | -0.067 | 73.893 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 502 | SER | 0 | 0.032 | 0.040 | 73.897 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 503 | LEU | 0 | 0.015 | -0.005 | 69.300 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 504 | PRO | 0 | -0.034 | 0.009 | 66.663 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 505 | ARG | 1 | 0.920 | 0.955 | 68.651 | 4.401 | 4.401 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 506 | THR | 0 | 0.076 | 0.017 | 70.827 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 507 | GLY | 0 | 0.038 | 0.015 | 68.954 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 508 | LEU | 0 | -0.028 | -0.004 | 63.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 509 | GLN | 0 | -0.008 | -0.001 | 61.712 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 510 | LYS | 1 | 0.955 | 0.986 | 65.985 | 4.587 | 4.587 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 511 | TYR | 0 | 0.057 | 0.036 | 67.262 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 512 | PRO | 0 | 0.033 | 0.018 | 66.560 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 513 | SER | 0 | 0.011 | 0.024 | 62.117 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 514 | THR | 0 | 0.069 | 0.023 | 61.787 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 515 | SER | 0 | -0.014 | -0.024 | 61.389 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 516 | GLU | -1 | -0.877 | -0.949 | 62.128 | -4.823 | -4.823 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 517 | ALA | 0 | 0.045 | 0.033 | 63.974 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 518 | VAL | 0 | -0.003 | -0.011 | 65.789 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 519 | LEU | 0 | 0.002 | -0.015 | 64.889 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 520 | ASN | 0 | -0.053 | -0.036 | 66.944 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 521 | ALA | 0 | 0.018 | 0.024 | 69.716 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 522 | LEU | 0 | -0.030 | -0.027 | 70.896 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 523 | ARG | 1 | 0.865 | 0.946 | 69.161 | 4.377 | 4.377 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 524 | ASP | -1 | -0.849 | -0.921 | 73.625 | -3.957 | -3.957 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 525 | LEU | 0 | -0.102 | -0.037 | 76.357 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 526 | HIS | 0 | 0.040 | 0.023 | 74.846 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 527 | PRO | 0 | 0.063 | 0.028 | 75.109 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 528 | LEU | 0 | -0.001 | 0.004 | 69.337 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 529 | PRO | 0 | 0.006 | -0.003 | 69.030 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 530 | LYS | 1 | 0.993 | 0.989 | 68.209 | 4.168 | 4.168 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 531 | ILE | 0 | 0.057 | 0.046 | 68.072 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 532 | ILE | 0 | 0.003 | -0.003 | 63.985 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 533 | LEU | 0 | -0.065 | -0.036 | 63.950 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 534 | GLU | -1 | -0.863 | -0.926 | 63.435 | -4.584 | -4.584 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 535 | TYR | 0 | 0.015 | 0.003 | 59.685 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 536 | ARG | 1 | 0.873 | 0.924 | 59.519 | 4.854 | 4.854 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 537 | GLN | 0 | -0.017 | -0.001 | 58.717 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 538 | VAL | 0 | 0.045 | 0.017 | 58.660 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 539 | HIS | 0 | -0.009 | 0.007 | 54.245 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 540 | LYS | 1 | 0.952 | 0.984 | 52.333 | 5.497 | 5.497 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 541 | ILE | 0 | 0.003 | -0.005 | 53.812 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 542 | LYS | 1 | 0.928 | 0.963 | 53.894 | 5.271 | 5.271 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 543 | SER | 0 | -0.016 | 0.004 | 51.826 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 544 | THR | 0 | -0.063 | -0.047 | 48.385 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 545 | PHE | 0 | -0.048 | -0.046 | 49.076 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 546 | VAL | 0 | 0.003 | 0.003 | 50.977 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 547 | ASP | -1 | -0.790 | -0.893 | 49.827 | -5.740 | -5.740 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 548 | GLY | 0 | -0.006 | 0.001 | 46.427 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 549 | LEU | 0 | -0.013 | -0.008 | 45.041 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 550 | LEU | 0 | 0.031 | -0.002 | 45.459 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 551 | ALA | 0 | -0.026 | -0.001 | 43.359 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 552 | CYS | 0 | -0.138 | -0.060 | 40.762 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 553 | MET | 0 | -0.012 | -0.016 | 40.048 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 554 | LYS | 1 | 0.967 | 0.974 | 34.105 | 8.002 | 8.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 555 | LYS | 1 | 0.958 | 0.978 | 38.862 | 7.330 | 7.330 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 556 | GLY | 0 | 0.040 | 0.022 | 41.680 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 557 | SER | 0 | 0.001 | 0.019 | 41.230 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 558 | ILE | 0 | -0.020 | 0.023 | 40.550 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 559 | SER | 0 | 0.039 | 0.016 | 36.734 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 560 | SER | 0 | -0.043 | -0.013 | 37.741 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 561 | THR | 0 | -0.018 | -0.003 | 33.337 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 562 | TRP | 0 | 0.028 | -0.008 | 34.757 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 563 | ASN | 0 | -0.071 | -0.047 | 33.941 | -0.509 | -0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 564 | GLN | 0 | -0.016 | -0.052 | 32.954 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 565 | THR | 0 | -0.003 | -0.008 | 32.067 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 566 | GLY | 0 | -0.028 | -0.002 | 35.060 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 567 | THR | 0 | -0.044 | -0.026 | 37.620 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 568 | VAL | 0 | 0.063 | 0.016 | 39.805 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 569 | THR | 0 | -0.050 | -0.045 | 42.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 570 | GLY | 0 | 0.074 | 0.037 | 40.660 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 571 | ARG | 1 | 0.906 | 0.974 | 41.436 | 6.321 | 6.321 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 572 | LEU | 0 | 0.042 | 0.039 | 37.734 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 573 | SER | 0 | -0.018 | -0.004 | 38.711 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 574 | ALA | 0 | 0.032 | 0.022 | 38.764 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 575 | LYS | 1 | 0.942 | 0.957 | 33.828 | 8.388 | 8.388 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 576 | HIS | 1 | 0.881 | 0.973 | 37.818 | 7.459 | 7.459 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 577 | PRO | 0 | 0.121 | 0.046 | 39.060 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 578 | ASN | 0 | 0.003 | -0.002 | 42.065 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 579 | ILE | 0 | 0.073 | 0.022 | 43.194 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 580 | GLN | 0 | -0.007 | -0.018 | 43.209 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 581 | GLY | 0 | -0.067 | -0.020 | 46.564 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 582 | ILE | 0 | -0.025 | 0.007 | 47.486 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 583 | SER | 0 | -0.007 | -0.016 | 50.453 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 584 | LYS | 1 | 0.957 | 0.987 | 54.271 | 5.460 | 5.460 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 585 | HIS | 0 | 0.023 | 0.008 | 55.823 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 586 | PRO | 0 | -0.012 | 0.003 | 59.320 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 587 | ILE | 0 | -0.006 | 0.001 | 59.855 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 588 | GLN | 0 | -0.004 | -0.015 | 62.251 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 589 | ILE | 0 | 0.010 | 0.008 | 62.963 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 590 | THR | 0 | 0.022 | -0.007 | 66.263 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 591 | THR | 0 | -0.072 | -0.038 | 67.471 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 592 | PRO | 0 | 0.058 | 0.063 | 66.427 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 593 | LYS | 1 | 0.976 | 0.982 | 69.266 | 4.249 | 4.249 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 601 | LYS | 1 | 0.998 | 1.007 | 70.511 | 4.313 | 4.313 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 602 | ILE | 0 | 0.002 | -0.021 | 69.106 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 603 | LEU | 0 | 0.008 | 0.011 | 63.626 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 604 | THR | 0 | -0.034 | -0.010 | 63.092 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 605 | ILE | 0 | 0.073 | 0.029 | 58.293 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 606 | SER | 0 | 0.021 | -0.001 | 57.293 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 607 | PRO | 0 | 0.009 | 0.002 | 53.080 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 608 | ARG | 1 | 0.954 | 0.985 | 51.781 | 5.703 | 5.703 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 609 | ALA | 0 | -0.011 | 0.004 | 52.735 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 610 | MET | 0 | -0.046 | -0.009 | 50.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 611 | PHE | 0 | -0.001 | -0.005 | 45.564 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 612 | VAL | 0 | -0.018 | -0.008 | 49.142 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 613 | SER | 0 | -0.062 | -0.096 | 48.023 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 614 | SER | 0 | -0.003 | 0.001 | 45.409 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 615 | LYS | 1 | 0.875 | 1.024 | 47.803 | 5.436 | 5.436 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 616 | GLY | 0 | -0.002 | -0.041 | 48.986 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 617 | HIS | 0 | 0.095 | 0.022 | 45.532 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 618 | THR | 0 | -0.011 | 0.049 | 49.733 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 619 | PHE | 0 | -0.003 | -0.004 | 46.309 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 620 | LEU | 0 | -0.015 | -0.007 | 49.560 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 621 | ALA | 0 | 0.000 | 0.000 | 49.625 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 622 | ALA | 0 | 0.019 | 0.002 | 49.978 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 623 | ASH | 0 | -0.102 | -0.116 | 50.831 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 624 | PHE | 0 | 0.071 | 0.032 | 48.668 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 625 | SER | 0 | -0.053 | -0.027 | 53.717 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 626 | GLN | 0 | 0.024 | -0.004 | 57.371 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 627 | ILE | 0 | 0.085 | 0.051 | 50.882 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 628 | GLU | -1 | -0.888 | -0.959 | 52.890 | -5.774 | -5.774 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 629 | LEU | 0 | -0.007 | 0.004 | 55.475 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 630 | ARG | 1 | 0.830 | 0.877 | 56.795 | 5.265 | 5.265 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 631 | ILE | 0 | 0.029 | 0.021 | 51.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 632 | LEU | 0 | -0.006 | -0.005 | 55.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 633 | THR | 0 | 0.005 | 0.018 | 58.131 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 634 | HIS | 0 | 0.015 | 0.022 | 54.154 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 635 | LEU | 0 | -0.048 | -0.020 | 53.351 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 636 | SER | 0 | -0.103 | -0.069 | 57.524 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 637 | GLY | 0 | 0.056 | 0.021 | 61.101 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 638 | ASP | -1 | -0.888 | -0.986 | 62.696 | -4.600 | -4.600 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 639 | PRO | 0 | 0.011 | -0.004 | 65.673 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 640 | GLU | -1 | -0.871 | -0.927 | 68.558 | -4.338 | -4.338 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 641 | LEU | 0 | -0.004 | -0.011 | 63.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 642 | LEU | 0 | -0.027 | -0.008 | 63.548 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 643 | LYS | 1 | 0.943 | 0.977 | 65.509 | 4.260 | 4.260 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 644 | LEU | 0 | -0.032 | -0.004 | 65.094 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 645 | PHE | 0 | 0.030 | -0.041 | 61.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 646 | GLN | 0 | 0.009 | 0.011 | 63.864 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 647 | GLU | -1 | -0.940 | -0.958 | 67.112 | -4.352 | -4.352 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 648 | SER | 0 | 0.005 | -0.023 | 68.504 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 649 | GLU | -1 | -0.805 | -0.855 | 61.287 | -5.132 | -5.132 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 650 | ARG | 1 | 0.881 | 0.925 | 64.191 | 4.617 | 4.617 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 651 | ASP | -1 | -0.866 | -0.915 | 65.375 | -4.541 | -4.541 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 652 | ASP | -1 | -0.905 | -0.943 | 65.963 | -4.584 | -4.584 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 653 | VAL | 0 | 0.003 | 0.017 | 63.356 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 654 | PHE | 0 | 0.017 | -0.001 | 61.079 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 655 | SER | 0 | -0.033 | -0.019 | 66.474 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 656 | THR | 0 | 0.065 | 0.036 | 68.829 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 657 | LEU | 0 | 0.003 | 0.011 | 65.575 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 658 | THR | 0 | -0.050 | -0.045 | 69.475 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 659 | SER | 0 | -0.039 | -0.010 | 71.579 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 660 | GLN | 0 | 0.044 | 0.016 | 70.735 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 661 | TRP | 0 | -0.093 | -0.047 | 69.939 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 662 | LYS | 1 | 0.851 | 0.918 | 73.424 | 4.232 | 4.232 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 663 | ASP | -1 | -0.915 | -0.943 | 76.268 | -3.887 | -3.887 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 664 | VAL | 0 | -0.036 | 0.009 | 77.313 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 665 | PRO | 0 | 0.021 | -0.008 | 77.731 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 666 | VAL | 0 | -0.061 | -0.009 | 77.848 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 667 | GLU | -1 | -0.887 | -0.946 | 76.548 | -4.057 | -4.057 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 668 | GLN | 0 | -0.046 | -0.023 | 71.736 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 669 | VAL | 0 | 0.031 | 0.005 | 74.210 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 670 | THR | 0 | -0.033 | -0.039 | 74.244 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 671 | HIS | 0 | 0.046 | 0.018 | 67.807 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 672 | ALA | 0 | 0.047 | 0.010 | 69.962 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 673 | ASP | -1 | -0.755 | -0.853 | 70.395 | -4.246 | -4.246 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 674 | ARG | 1 | 0.946 | 0.984 | 65.375 | 4.546 | 4.546 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 675 | GLU | -1 | -0.969 | -0.998 | 63.999 | -4.899 | -4.899 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 676 | GLN | 0 | -0.031 | -0.026 | 66.251 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 677 | THR | 0 | 0.017 | -0.005 | 66.532 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 678 | LYS | 1 | 0.926 | 0.976 | 60.009 | 4.990 | 4.990 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 679 | LYS | 1 | 0.890 | 0.945 | 62.774 | 4.623 | 4.623 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 680 | VAL | 0 | 0.010 | 0.003 | 63.343 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 681 | VAL | 0 | 0.015 | 0.020 | 60.947 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 682 | TYR | 0 | -0.008 | -0.032 | 57.004 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 683 | ALA | 0 | -0.043 | -0.003 | 59.186 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 684 | VAL | 0 | -0.057 | -0.035 | 60.884 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 685 | VAL | 0 | -0.033 | 0.001 | 55.905 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 686 | TYR | 0 | -0.072 | -0.022 | 53.150 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 687 | GLY | 0 | 0.022 | 0.042 | 56.272 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 688 | ALA | 0 | 0.022 | -0.031 | 56.938 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 689 | GLY | 0 | -0.094 | -0.049 | 60.510 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 690 | LYS | 1 | 1.015 | 1.012 | 63.484 | 4.501 | 4.501 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 691 | GLU | -1 | -0.855 | -0.942 | 64.739 | -4.584 | -4.584 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 692 | ARG | 1 | 0.932 | 0.958 | 55.435 | 5.354 | 5.354 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 693 | LEU | 0 | 0.033 | 0.046 | 63.024 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 694 | ALA | 0 | 0.011 | -0.003 | 64.837 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 695 | ALA | 0 | -0.061 | -0.021 | 63.586 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 696 | CYS | 0 | -0.068 | -0.022 | 62.512 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 697 | LEU | 0 | 0.003 | 0.002 | 64.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 698 | GLY | 0 | 0.011 | 0.014 | 67.766 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 699 | VAL | 0 | -0.001 | -0.005 | 70.640 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 700 | PRO | 0 | 0.035 | 0.017 | 71.509 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 701 | ILE | 0 | 0.041 | 0.009 | 69.782 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 702 | GLN | 0 | -0.034 | -0.023 | 71.752 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 703 | GLU | -1 | -0.842 | -0.913 | 74.337 | -4.105 | -4.105 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 704 | ALA | 0 | 0.007 | 0.003 | 68.910 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 705 | ALA | 0 | -0.063 | -0.048 | 70.148 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 706 | GLN | 0 | 0.090 | 0.047 | 71.184 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 707 | PHE | 0 | 0.031 | 0.014 | 70.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 708 | LEU | 0 | -0.049 | -0.028 | 65.507 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 709 | GLU | -1 | -0.948 | -0.982 | 69.149 | -4.310 | -4.310 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 710 | SER | 0 | -0.011 | 0.012 | 71.109 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 711 | PHE | 0 | 0.020 | 0.004 | 64.767 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 712 | LEU | 0 | -0.054 | -0.048 | 65.164 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 713 | GLN | 0 | -0.060 | -0.024 | 68.740 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 714 | LYS | 1 | 0.897 | 0.986 | 71.498 | 4.314 | 4.314 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 715 | TYR | 0 | -0.038 | -0.016 | 67.258 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 716 | LYS | 1 | 0.948 | 0.987 | 67.940 | 4.501 | 4.501 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 717 | LYS | 1 | 0.956 | 0.986 | 64.456 | 4.697 | 4.697 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 718 | ILE | 0 | 0.074 | 0.039 | 61.801 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 719 | LYS | 1 | 0.953 | 0.988 | 62.317 | 4.700 | 4.700 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 720 | ASP | -1 | -0.841 | -0.928 | 63.395 | -4.803 | -4.803 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 721 | PHE | 0 | 0.068 | 0.035 | 55.395 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 722 | ALA | 0 | 0.025 | 0.018 | 58.694 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 723 | ARG | 1 | 0.829 | 0.886 | 58.759 | 4.791 | 4.791 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 724 | ALA | 0 | 0.019 | 0.012 | 58.804 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 725 | ALA | 0 | 0.038 | 0.025 | 54.639 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 726 | ILE | 0 | 0.014 | 0.003 | 54.660 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 727 | ALA | 0 | -0.035 | -0.001 | 55.992 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 728 | GLN | 0 | 0.094 | 0.036 | 50.489 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 729 | CYS | 0 | -0.047 | 0.000 | 51.187 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 730 | HIS | 1 | 0.777 | 0.879 | 51.469 | 5.524 | 5.524 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 731 | GLN | 0 | 0.003 | 0.021 | 53.149 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 732 | THR | 0 | 0.023 | 0.007 | 48.349 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 733 | GLY | 0 | 0.030 | 0.022 | 48.121 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 734 | CYS | 0 | -0.115 | -0.064 | 45.636 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 735 | VAL | 0 | -0.021 | 0.007 | 47.335 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 736 | VAL | 0 | 0.020 | 0.009 | 45.835 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 737 | SER | 0 | -0.088 | -0.048 | 45.593 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 738 | ILE | 0 | 0.040 | 0.008 | 47.974 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 739 | MET | 0 | -0.030 | 0.002 | 43.811 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 740 | GLY | 0 | 0.058 | 0.033 | 43.509 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 741 | ARG | 1 | 0.824 | 0.912 | 39.506 | 7.249 | 7.249 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 742 | ARG | 1 | 0.955 | 0.977 | 39.414 | 7.792 | 7.792 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 743 | ARG | 1 | 0.942 | 0.977 | 42.442 | 6.542 | 6.542 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 744 | PRO | 0 | 0.026 | -0.003 | 41.362 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 745 | LEU | 0 | -0.072 | -0.037 | 44.708 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 746 | PRO | 0 | 0.128 | 0.056 | 44.796 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 747 | ARG | 1 | 0.939 | 0.968 | 47.420 | 6.387 | 6.387 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 748 | ILE | 0 | -0.003 | 0.001 | 50.649 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 749 | HIS | 0 | -0.045 | -0.046 | 50.147 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 750 | ALA | 0 | -0.057 | -0.008 | 52.582 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 751 | HIS | 0 | 0.070 | 0.020 | 54.071 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 752 | ASP | -1 | -0.882 | -0.933 | 56.048 | -5.271 | -5.271 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 753 | GLN | 0 | 0.094 | 0.015 | 57.306 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 754 | GLN | 0 | 0.005 | 0.016 | 57.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 755 | LEU | 0 | -0.051 | -0.028 | 52.297 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 756 | ARG | 1 | 0.959 | 1.006 | 54.320 | 5.245 | 5.245 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 757 | ALA | 0 | 0.064 | 0.029 | 55.936 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 758 | GLN | 0 | -0.108 | -0.061 | 51.552 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 759 | ALA | 0 | 0.019 | 0.010 | 51.867 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 760 | GLU | -1 | -0.877 | -0.954 | 52.852 | -5.372 | -5.372 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 761 | ARG | 1 | 0.892 | 0.950 | 55.321 | 5.412 | 5.412 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 762 | GLN | 0 | -0.049 | -0.029 | 49.479 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 763 | ALA | 0 | 0.027 | 0.013 | 51.124 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 764 | VAL | 0 | -0.012 | -0.007 | 52.171 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 765 | ASN | 0 | -0.021 | -0.025 | 50.512 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 766 | PHE | 0 | -0.054 | -0.031 | 44.490 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 767 | VAL | 0 | 0.061 | 0.049 | 49.028 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 768 | VAL | 0 | 0.049 | 0.062 | 50.669 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 769 | GLN | 0 | 0.028 | 0.009 | 48.218 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 770 | GLY | 0 | 0.032 | 0.010 | 46.216 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 771 | SER | 0 | 0.001 | -0.039 | 46.291 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 772 | ALA | 0 | 0.010 | 0.012 | 48.209 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 773 | ALA | 0 | -0.028 | -0.013 | 44.065 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 774 | ASP | -1 | -0.776 | -0.887 | 43.392 | -7.140 | -7.140 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 775 | LEU | 0 | 0.037 | 0.014 | 44.514 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 776 | CYS | 0 | -0.060 | -0.016 | 45.565 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 777 | LYS | 1 | 0.839 | 0.910 | 37.930 | 7.698 | 7.698 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 778 | LEU | 0 | 0.045 | 0.037 | 41.724 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 779 | ALA | 0 | 0.013 | 0.000 | 43.528 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 780 | MET | 0 | -0.059 | -0.027 | 39.398 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 781 | ILE | 0 | 0.001 | 0.002 | 38.161 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 782 | HIS | 0 | 0.022 | 0.005 | 40.500 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 783 | VAL | 0 | -0.003 | 0.001 | 43.321 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 784 | PHE | 0 | -0.013 | -0.007 | 35.433 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 785 | THR | 0 | 0.001 | -0.008 | 39.237 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 786 | ALA | 0 | -0.028 | -0.011 | 40.290 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 787 | VAL | 0 | -0.034 | -0.015 | 42.076 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 788 | ALA | 0 | -0.028 | -0.020 | 37.580 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 789 | ALA | 0 | 0.003 | 0.019 | 39.344 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 790 | SER | 0 | -0.019 | -0.016 | 41.310 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 791 | HIS | 0 | -0.028 | -0.009 | 42.832 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 792 | THR | 0 | 0.019 | -0.016 | 44.150 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 793 | LEU | 0 | 0.006 | 0.032 | 45.387 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 794 | THR | 0 | -0.031 | -0.052 | 42.880 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 795 | ALA | 0 | -0.036 | -0.004 | 43.114 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 796 | ARG | 1 | 0.969 | 0.991 | 35.271 | 7.687 | 7.687 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 797 | LEU | 0 | 0.005 | -0.011 | 39.978 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 798 | VAL | 0 | -0.027 | -0.006 | 40.268 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 799 | ALA | 0 | -0.028 | -0.036 | 41.206 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 800 | GLN | 0 | 0.009 | 0.003 | 42.046 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 801 | ILE | 0 | 0.007 | 0.000 | 44.173 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 802 | HIS | 0 | -0.035 | -0.008 | 45.540 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 803 | ASP | -1 | -0.843 | -0.941 | 47.116 | -5.956 | -5.956 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 804 | GLU | -1 | -0.930 | -0.898 | 48.993 | -5.737 | -5.737 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 805 | LEU | 0 | 0.020 | 0.002 | 44.231 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 806 | LEU | 0 | 0.007 | 0.000 | 45.946 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 807 | PHE | 0 | 0.036 | 0.006 | 44.345 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 808 | GLU | -1 | -0.845 | -0.933 | 44.155 | -6.464 | -6.464 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 809 | VAL | 0 | -0.008 | -0.013 | 45.268 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 810 | GLU | -1 | -0.868 | -0.938 | 47.378 | -6.187 | -6.187 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 811 | ASP | -1 | -0.853 | -0.952 | 48.928 | -5.651 | -5.651 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 812 | PRO | 0 | -0.006 | -0.008 | 51.454 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 813 | GLN | 0 | 0.081 | 0.068 | 46.604 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 814 | ILE | 0 | 0.020 | 0.016 | 51.700 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 815 | PRO | 0 | -0.001 | -0.014 | 53.466 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 816 | GLU | -1 | -0.882 | -0.934 | 50.902 | -6.064 | -6.064 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 817 | CYS | 0 | 0.012 | 0.021 | 48.958 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 818 | ALA | 0 | -0.001 | 0.004 | 50.617 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 819 | ALA | 0 | -0.017 | -0.004 | 53.214 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 820 | LEU | 0 | 0.014 | 0.010 | 46.427 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 821 | VAL | 0 | 0.008 | 0.004 | 48.145 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 822 | ARG | 1 | 0.968 | 0.996 | 50.131 | 5.338 | 5.338 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 823 | ARG | 1 | 0.967 | 0.987 | 51.764 | 5.722 | 5.722 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 824 | THR | 0 | -0.037 | -0.027 | 46.405 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 825 | MET | 0 | -0.037 | -0.025 | 48.567 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 826 | GLU | -1 | -0.900 | -0.961 | 50.381 | -5.433 | -5.433 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 827 | SER | 0 | -0.067 | -0.032 | 51.127 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 828 | LEU | 0 | -0.030 | -0.013 | 46.998 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 829 | GLU | -1 | -0.952 | -0.969 | 50.519 | -5.482 | -5.482 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 830 | GLN | 0 | -0.039 | -0.020 | 52.893 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 831 | VAL | 0 | -0.016 | -0.012 | 46.328 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 832 | GLN | 0 | -0.002 | 0.046 | 47.889 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 833 | ALA | 0 | -0.010 | -0.005 | 43.815 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 834 | LEU | 0 | -0.042 | -0.032 | 44.292 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 835 | GLU | -1 | -0.864 | -0.934 | 45.737 | -6.674 | -6.674 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 836 | LEU | 0 | -0.078 | -0.042 | 47.532 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 837 | GLN | 0 | 0.063 | 0.000 | 50.046 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 838 | LEU | 0 | -0.063 | -0.029 | 52.359 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 839 | GLN | 0 | -0.013 | -0.017 | 55.628 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 840 | VAL | 0 | -0.052 | -0.017 | 57.925 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 841 | PRO | 0 | 0.112 | 0.084 | 57.589 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 842 | LEU | 0 | -0.027 | -0.009 | 52.220 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 843 | LYS | 1 | 0.888 | 0.951 | 56.386 | 4.981 | 4.981 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 844 | VAL | 0 | -0.013 | -0.014 | 53.114 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 845 | SER | 0 | -0.055 | -0.021 | 55.826 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 846 | LEU | 0 | -0.015 | -0.007 | 53.068 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 847 | SER | 0 | -0.025 | -0.009 | 54.877 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 848 | ALA | 0 | 0.047 | 0.018 | 54.380 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 849 | GLY | 0 | 0.018 | 0.005 | 54.168 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 850 | ARG | 1 | 0.892 | 0.952 | 53.412 | 5.443 | 5.443 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 851 | SER | 0 | 0.015 | 0.005 | 52.647 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 852 | TRP | 0 | 0.018 | 0.013 | 48.737 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 853 | GLY | 0 | -0.061 | -0.025 | 52.545 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 854 | HIS | 0 | -0.035 | -0.033 | 55.635 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 855 | LEU | 0 | -0.004 | 0.015 | 53.145 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 856 | VAL | 0 | -0.019 | -0.003 | 57.498 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 857 | PRO | 0 | 0.018 | -0.004 | 59.202 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 858 | LEU | 0 | 0.018 | 0.015 | 56.461 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 859 | GLN | 0 | -0.021 | -0.005 | 60.145 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |