FMODB ID: VR361
Calculation Name: 3UGM-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3UGM
Chain ID: A
UniProt ID: B2SU53
Base Structure: X-ray
Registration Date: 2023-06-20
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 | 873 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -18918935.365597 |
---|---|
FMO2-HF: Nuclear repulsion | 18603479.179926 |
FMO2-HF: Total energy | -315456.185671 |
FMO2-MP2: Total energy | -316383.093851 |
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:169:LYS)
Summations of interaction energy for
fragment #1(A:169: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. |
22.352 | 23.888 | -0.072 | -0.168 | -1.297 | 0.003 |
Interaction energy analysis for fragmet #1(A:169: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 | 171 | LYN | 0 | 0.059 | 0.025 | 3.635 | -0.057 | 1.383 | -0.071 | -0.157 | -1.212 | 0.003 |
4 | A | 172 | DVA | 0 | 0.011 | -0.017 | 5.642 | 3.521 | 3.521 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 173 | ARG | 1 | 0.996 | 1.009 | 8.331 | 21.936 | 21.936 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 181 | GLU | -1 | -0.919 | -0.971 | 14.291 | -14.737 | -14.737 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 182 | ALA | 0 | -0.061 | -0.033 | 11.792 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 183 | LEU | 0 | -0.081 | -0.020 | 7.917 | -0.695 | -0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 184 | VAL | 0 | 0.090 | 0.029 | 10.912 | 1.012 | 1.012 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 185 | GLY | 0 | -0.041 | -0.010 | 10.914 | -0.619 | -0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 186 | HIS | 0 | -0.001 | -0.009 | 11.557 | 0.708 | 0.708 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 187 | GLY | 0 | 0.009 | 0.011 | 12.567 | -0.958 | -0.958 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 188 | PHE | 0 | -0.026 | -0.017 | 14.638 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 189 | THR | 0 | -0.030 | -0.023 | 15.315 | 0.844 | 0.844 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 190 | HIS | 0 | 0.050 | 0.014 | 10.571 | -0.875 | -0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 191 | ALA | 0 | 0.019 | -0.022 | 14.350 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 192 | HIS | 0 | -0.037 | 0.033 | 7.568 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 193 | ILE | 0 | 0.010 | 0.017 | 4.215 | 0.146 | 0.242 | -0.001 | -0.011 | -0.085 | 0.000 |
19 | A | 194 | DVA | 0 | 0.034 | -0.012 | 8.625 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 195 | ALA | 0 | -0.028 | 0.011 | 5.759 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 196 | LEU | 0 | -0.001 | -0.008 | 7.533 | -1.668 | -1.668 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 197 | SER | 0 | -0.002 | 0.026 | 10.049 | -1.873 | -1.873 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 198 | GLN | 0 | -0.032 | -0.032 | 6.872 | -2.434 | -2.434 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 199 | HIS | 0 | 0.045 | 0.022 | 9.588 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 200 | PRO | 0 | -0.080 | -0.024 | 11.825 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 201 | ALA | 0 | 0.126 | 0.050 | 9.626 | -0.807 | -0.807 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 202 | ALA | 0 | -0.173 | -0.061 | 11.727 | 0.651 | 0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 203 | LEU | 0 | -0.024 | -0.034 | 12.502 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 204 | GLY | 0 | 0.085 | 0.071 | 14.170 | -0.673 | -0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 205 | THR | 0 | -0.113 | -0.103 | 15.888 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 206 | VAL | 0 | 0.119 | 0.034 | 17.174 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 207 | ALA | 0 | -0.118 | 0.000 | 18.954 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 208 | VAL | 0 | 0.023 | 0.022 | 17.404 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 209 | THR | 0 | -0.098 | -0.104 | 18.558 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 210 | TYR | -1 | -0.752 | -0.889 | 13.516 | -18.662 | -18.662 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 211 | GLN | 0 | -0.078 | -0.004 | 16.465 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 212 | HIS | 0 | -0.010 | 0.011 | 15.181 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 213 | ILE | 0 | 0.016 | -0.041 | 18.410 | -0.741 | -0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 214 | ILE | 0 | -0.041 | 0.019 | 18.578 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 215 | THR | 0 | 0.084 | 0.011 | 22.689 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 216 | ALA | 0 | -0.038 | -0.045 | 24.048 | 0.590 | 0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 217 | LEU | 0 | 0.070 | 0.084 | 25.331 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 218 | PRO | 0 | -0.067 | -0.047 | 27.411 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 219 | GLU | -1 | -0.884 | -0.953 | 28.038 | -10.140 | -10.140 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 220 | ALA | 0 | -0.011 | -0.004 | 25.239 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 221 | THR | 0 | -0.011 | -0.004 | 22.836 | -0.678 | -0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 222 | HIS | 0 | 0.064 | 0.039 | 16.236 | -0.890 | -0.890 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 223 | GLU | -1 | -0.883 | -0.978 | 19.488 | -15.879 | -15.879 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 224 | ASP | -1 | -0.938 | -0.958 | 22.075 | -11.663 | -11.663 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 225 | ILE | 0 | 0.014 | 0.006 | 20.509 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 226 | VAL | 0 | 0.059 | 0.049 | 18.617 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 227 | GLY | 0 | -0.078 | -0.046 | 21.289 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 228 | VAL | 0 | -0.001 | 0.001 | 24.234 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 229 | GLY | 0 | -0.015 | 0.011 | 22.419 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 230 | LYS | 1 | 0.938 | 0.970 | 21.614 | 12.556 | 12.556 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 231 | GLN | 0 | -0.078 | -0.029 | 22.778 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 232 | TRP | 0 | 0.090 | 0.047 | 25.662 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 233 | SER | 0 | -0.077 | -0.072 | 27.259 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 234 | GLY | 0 | 0.064 | 0.039 | 24.623 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 235 | ALA | 0 | 0.105 | 0.043 | 23.322 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 236 | ARG | 1 | 0.988 | 0.984 | 25.061 | 9.823 | 9.823 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 237 | ALA | 0 | 0.006 | 0.009 | 28.206 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 238 | LEU | 0 | 0.000 | -0.011 | 23.245 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 239 | GLU | -1 | -0.930 | -0.968 | 26.577 | -11.253 | -11.253 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 240 | ALA | 0 | 0.018 | 0.011 | 29.449 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 241 | LEU | 0 | 0.012 | -0.010 | 29.330 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 242 | LEU | 0 | -0.032 | -0.011 | 30.284 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 243 | THR | 0 | -0.043 | -0.018 | 31.993 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 244 | ASP | -1 | -0.868 | -0.962 | 35.388 | -8.224 | -8.224 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 245 | ALA | 0 | 0.042 | 0.007 | 32.933 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 246 | GLY | 0 | -0.001 | 0.004 | 34.943 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 247 | GLU | -1 | -1.026 | -0.997 | 35.967 | -7.494 | -7.494 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 248 | LEU | 0 | 0.030 | 0.005 | 35.893 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 249 | ARG | 1 | 0.852 | 0.932 | 31.945 | 9.678 | 9.678 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 250 | GLY | 0 | 0.034 | 0.025 | 37.980 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 251 | PRO | 0 | -0.034 | -0.019 | 41.026 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 252 | PRO | 0 | 0.011 | 0.002 | 42.796 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 253 | LEU | 0 | 0.057 | 0.070 | 39.380 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 254 | GLN | 0 | -0.070 | -0.044 | 43.006 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 255 | LEU | 0 | -0.070 | -0.043 | 39.098 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 256 | ASP | -1 | -0.849 | -0.912 | 37.180 | -8.540 | -8.540 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 257 | THR | 0 | 0.087 | 0.031 | 31.455 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 258 | GLY | 0 | 0.024 | 0.015 | 31.307 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 259 | GLN | 0 | -0.033 | -0.005 | 32.230 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 260 | LEU | 0 | 0.095 | 0.005 | 33.793 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 261 | VAL | 0 | 0.040 | 0.038 | 28.297 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 262 | LYS | 1 | 0.844 | 0.920 | 31.158 | 8.394 | 8.394 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 263 | ILE | 0 | -0.015 | 0.001 | 33.330 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 264 | ALA | 0 | 0.061 | 0.026 | 30.415 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 265 | LYS | 1 | 0.860 | 0.934 | 28.313 | 10.502 | 10.502 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 266 | ARG | 1 | 0.861 | 0.915 | 30.320 | 9.011 | 9.011 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 267 | GLY | 0 | 0.064 | 0.040 | 33.094 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 268 | GLY | 0 | -0.015 | -0.002 | 31.531 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 269 | VAL | 0 | 0.027 | -0.001 | 31.189 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 270 | THR | 0 | -0.032 | -0.021 | 32.929 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 271 | ALA | 0 | -0.043 | -0.006 | 36.179 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 272 | MET | 0 | -0.003 | 0.028 | 31.670 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 273 | GLU | -1 | -0.912 | -0.953 | 35.697 | -8.388 | -8.388 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 274 | ALA | 0 | -0.054 | -0.033 | 38.470 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 275 | VAL | 0 | -0.010 | 0.000 | 39.782 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 276 | HIS | 0 | -0.034 | -0.008 | 36.579 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 277 | ALA | 0 | 0.089 | 0.063 | 41.500 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 278 | SER | 0 | -0.030 | -0.038 | 43.936 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 279 | ARG | 1 | 0.884 | 0.950 | 43.903 | 7.170 | 7.170 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 280 | ASN | 0 | 0.068 | 0.013 | 46.173 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 281 | ALA | 0 | -0.060 | -0.020 | 49.471 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 282 | LEU | 0 | -0.013 | -0.011 | 45.779 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 283 | THR | 0 | -0.055 | -0.037 | 48.185 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 284 | GLY | 0 | 0.021 | -0.045 | 50.680 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 285 | ALA | 0 | -0.067 | -0.055 | 54.572 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 286 | PRO | 0 | -0.051 | 0.071 | 53.811 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 287 | LEU | 0 | 0.002 | 0.005 | 54.155 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 288 | ASN | 0 | -0.049 | -0.029 | 50.707 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 289 | LEU | 0 | 0.011 | -0.003 | 48.039 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 290 | THR | 0 | 0.010 | -0.043 | 47.183 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 291 | PRO | 0 | 0.088 | 0.015 | 43.615 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 292 | ALA | 0 | -0.027 | -0.013 | 43.461 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 293 | GLN | 0 | 0.050 | 0.067 | 43.785 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 294 | VAL | 0 | 0.097 | 0.080 | 42.579 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 295 | VAL | 0 | -0.027 | -0.008 | 38.320 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 296 | ALA | 0 | -0.089 | -0.053 | 40.013 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 297 | ILE | 0 | 0.012 | 0.013 | 42.286 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 298 | ALA | 0 | 0.021 | 0.027 | 39.629 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 299 | SER | 0 | -0.101 | -0.109 | 36.579 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 300 | ASN | 0 | -0.044 | 0.016 | 36.585 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 301 | ASN | 0 | 0.132 | 0.083 | 34.245 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 302 | GLY | 0 | -0.117 | -0.046 | 36.995 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 303 | GLY | 0 | 0.114 | 0.060 | 38.674 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 304 | LYS | 1 | 1.008 | 1.003 | 39.481 | 7.838 | 7.838 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 305 | GLN | 0 | 0.003 | 0.014 | 41.361 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 306 | ALA | 0 | -0.012 | -0.007 | 43.158 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 307 | LEU | 0 | 0.015 | -0.010 | 41.760 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 308 | GLU | -1 | -0.893 | -0.943 | 44.905 | -6.714 | -6.714 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 309 | THR | 0 | -0.129 | -0.074 | 47.299 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 310 | VAL | 0 | 0.048 | 0.035 | 48.517 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 311 | GLN | 0 | 0.027 | 0.003 | 49.649 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 312 | ARG | 1 | 0.894 | 0.962 | 50.012 | 6.217 | 6.217 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 313 | LEU | 0 | -0.102 | -0.070 | 53.204 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 314 | LEU | 0 | 0.061 | 0.049 | 53.122 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 315 | PRO | 0 | 0.058 | 0.012 | 55.291 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 316 | VAL | 0 | 0.034 | 0.008 | 58.646 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 317 | LEU | 0 | -0.027 | -0.005 | 54.689 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 318 | CYS | 0 | -0.085 | -0.029 | 57.788 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 319 | GLN | 0 | -0.003 | -0.005 | 60.575 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 320 | ALA | 0 | -0.045 | -0.015 | 63.159 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 321 | HIS | 0 | 0.002 | -0.019 | 61.291 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 322 | GLY | 0 | -0.012 | 0.030 | 62.958 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 323 | LEU | 0 | 0.020 | 0.010 | 56.609 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 324 | THR | 0 | 0.044 | 0.015 | 56.338 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 325 | PRO | 0 | 0.051 | -0.003 | 54.042 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 326 | ALA | 0 | -0.034 | -0.019 | 52.337 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 327 | GLN | 0 | 0.056 | 0.028 | 51.677 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 328 | VAL | 0 | 0.088 | 0.054 | 51.830 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 329 | VAL | 0 | -0.042 | -0.012 | 48.174 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 330 | ALA | 0 | -0.009 | -0.010 | 47.524 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 331 | ILE | 0 | -0.014 | 0.007 | 48.045 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 332 | ALA | 0 | -0.049 | -0.038 | 46.386 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 333 | SER | 0 | 0.000 | 0.001 | 43.857 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 334 | HIS | 0 | -0.020 | 0.021 | 41.754 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 335 | ASP | -1 | -0.824 | -0.937 | 37.367 | -8.281 | -8.281 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 336 | GLY | 0 | 0.052 | 0.021 | 40.798 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 337 | GLY | 0 | 0.090 | 0.048 | 43.608 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 338 | LYS | 1 | 0.905 | 0.963 | 45.223 | 6.820 | 6.820 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 339 | GLN | 0 | -0.019 | -0.024 | 45.086 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 340 | ALA | 0 | -0.038 | 0.003 | 47.275 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 341 | LEU | 0 | 0.058 | 0.003 | 49.050 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 342 | GLU | -1 | -0.912 | -0.951 | 50.733 | -6.018 | -6.018 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 343 | THR | 0 | -0.063 | -0.040 | 51.463 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 344 | MET | 0 | 0.033 | 0.020 | 53.628 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 345 | GLN | 0 | 0.033 | -0.008 | 55.275 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 346 | ARG | 1 | 0.824 | 0.924 | 55.149 | 5.664 | 5.664 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 347 | LEU | 0 | 0.034 | 0.000 | 56.050 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 348 | LEU | 0 | 0.033 | 0.061 | 58.903 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 349 | PRO | 0 | 0.001 | -0.018 | 60.169 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 350 | VAL | 0 | 0.051 | 0.045 | 61.739 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 351 | LEU | 0 | 0.036 | -0.007 | 57.883 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 352 | CYS | 0 | -0.034 | -0.025 | 62.618 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 353 | GLN | 0 | -0.036 | -0.026 | 65.546 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 354 | ALA | 0 | -0.016 | -0.005 | 66.154 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 355 | HIS | 0 | -0.096 | -0.042 | 63.763 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 356 | GLY | 0 | -0.023 | 0.016 | 65.862 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 357 | LEU | 0 | 0.034 | 0.026 | 59.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 358 | PRO | 0 | -0.018 | -0.012 | 62.835 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 359 | PRO | 0 | 0.100 | 0.041 | 61.275 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 360 | ASP | -1 | -0.897 | -0.954 | 58.610 | -5.455 | -5.455 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 361 | GLN | 0 | -0.011 | -0.016 | 57.283 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 362 | VAL | 0 | 0.042 | -0.003 | 56.771 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 363 | VAL | 0 | -0.054 | -0.020 | 53.764 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 364 | ALA | 0 | -0.005 | -0.002 | 52.876 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 365 | ILE | 0 | -0.021 | 0.047 | 52.081 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 366 | ALA | 0 | -0.005 | -0.017 | 50.974 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 367 | SER | 0 | -0.074 | -0.039 | 48.998 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 368 | ASN | 0 | 0.010 | -0.010 | 45.805 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 369 | ILE | 0 | 0.077 | 0.047 | 40.053 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 370 | GLY | 0 | -0.075 | -0.035 | 43.555 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 371 | GLY | 0 | 0.078 | 0.033 | 45.473 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 372 | LYS | 1 | 0.918 | 0.977 | 47.338 | 6.561 | 6.561 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 373 | GLN | 0 | 0.067 | 0.026 | 46.339 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 374 | ALA | 0 | -0.037 | 0.034 | 49.146 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 375 | LEU | 0 | 0.030 | -0.006 | 51.155 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 376 | GLU | -1 | -0.976 | -1.009 | 50.706 | -6.030 | -6.030 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 377 | THR | 0 | -0.066 | -0.072 | 51.347 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 378 | VAL | 0 | 0.044 | 0.045 | 54.151 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 379 | GLN | 0 | 0.043 | 0.011 | 56.807 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 380 | ARG | 1 | 0.858 | 0.927 | 55.308 | 5.646 | 5.646 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 381 | LEU | 0 | 0.003 | -0.009 | 55.383 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 382 | LEU | 0 | -0.003 | 0.026 | 58.791 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 383 | PRO | 0 | 0.028 | 0.004 | 60.767 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 384 | VAL | 0 | -0.050 | -0.026 | 61.316 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 385 | LEU | 0 | 0.049 | 0.049 | 58.116 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 386 | CYS | 0 | 0.016 | -0.003 | 62.724 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 387 | GLN | 0 | 0.000 | -0.008 | 65.318 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 388 | ALA | 0 | -0.101 | -0.038 | 64.559 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 389 | HIS | 0 | -0.030 | -0.035 | 61.073 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 390 | GLY | 0 | -0.015 | 0.011 | 64.649 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 391 | LEU | 0 | -0.014 | -0.006 | 59.137 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 392 | THR | 0 | 0.029 | 0.016 | 63.064 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 393 | PRO | 0 | 0.086 | 0.023 | 61.938 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 394 | ASP | -1 | -0.859 | -0.929 | 60.975 | -5.140 | -5.140 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 395 | GLN | 0 | -0.042 | -0.020 | 58.826 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 396 | VAL | 0 | 0.040 | -0.013 | 56.674 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 397 | VAL | 0 | 0.004 | 0.031 | 56.109 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 398 | ALA | 0 | 0.000 | -0.018 | 54.520 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 399 | ILE | 0 | -0.041 | 0.005 | 52.583 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 400 | ALA | 0 | -0.051 | -0.036 | 51.613 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 401 | SER | 0 | -0.108 | -0.056 | 51.097 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 402 | HIS | 0 | 0.069 | 0.044 | 46.561 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 403 | GLY | 0 | -0.020 | 0.001 | 43.680 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 404 | GLY | 0 | -0.040 | -0.043 | 43.988 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 405 | GLY | 0 | 0.059 | 0.032 | 45.688 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 406 | LYS | 1 | 0.932 | 0.965 | 46.690 | 6.540 | 6.540 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 407 | GLN | 0 | -0.026 | -0.025 | 44.278 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 408 | ALA | 0 | 0.025 | 0.053 | 47.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 409 | LEU | 0 | 0.102 | 0.030 | 50.036 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 410 | GLU | -1 | -0.908 | -0.953 | 50.547 | -6.060 | -6.060 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 411 | THR | 0 | -0.080 | -0.077 | 48.902 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 412 | VAL | 0 | 0.027 | 0.035 | 51.633 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 413 | GLN | 0 | -0.007 | -0.016 | 54.516 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 414 | ARG | 1 | 0.886 | 0.951 | 52.817 | 5.727 | 5.727 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 415 | LEU | 0 | 0.023 | -0.009 | 50.917 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 416 | LEU | 0 | 0.001 | 0.015 | 54.621 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 417 | PRO | 0 | 0.012 | 0.004 | 57.169 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 418 | VAL | 0 | 0.052 | 0.021 | 54.777 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 419 | LEU | 0 | 0.063 | 0.004 | 53.302 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 420 | CYS | 0 | -0.027 | -0.009 | 57.135 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 421 | GLN | 0 | -0.059 | -0.010 | 60.191 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 422 | ALA | 0 | 0.000 | 0.003 | 59.077 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 423 | HIS | 0 | -0.127 | -0.069 | 54.728 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 424 | GLY | 0 | -0.046 | -0.013 | 58.432 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 425 | LEU | 0 | -0.007 | 0.025 | 54.819 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 426 | THR | 0 | 0.013 | -0.038 | 59.407 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 427 | PRO | 0 | 0.063 | 0.023 | 59.923 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 428 | ASP | -1 | -0.857 | -0.932 | 58.859 | -5.328 | -5.328 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 429 | GLN | 0 | 0.039 | 0.038 | 56.732 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 430 | VAL | 0 | 0.031 | 0.016 | 54.416 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 431 | VAL | 0 | -0.031 | -0.014 | 53.904 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 432 | ALA | 0 | 0.003 | 0.002 | 53.756 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 433 | ILE | 0 | -0.057 | -0.020 | 49.135 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 434 | ALA | 0 | -0.048 | -0.044 | 49.314 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 435 | SER | 0 | -0.069 | -0.028 | 49.911 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 436 | HIS | 0 | 0.010 | 0.013 | 45.785 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 437 | ASP | -1 | -0.832 | -0.919 | 42.024 | -7.339 | -7.339 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 438 | GLY | 0 | -0.105 | -0.050 | 42.107 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 439 | GLY | 0 | 0.112 | 0.065 | 43.047 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 440 | LYS | 1 | 0.886 | 0.943 | 44.223 | 6.779 | 6.779 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 441 | GLN | 0 | 0.013 | -0.006 | 40.994 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 442 | ALA | 0 | 0.039 | 0.063 | 44.086 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 443 | LEU | 0 | 0.039 | -0.001 | 45.868 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 444 | GLU | -1 | -0.926 | -0.980 | 45.185 | -6.787 | -6.787 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 445 | THR | 0 | -0.082 | -0.062 | 42.891 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 446 | VAL | 0 | 0.051 | 0.044 | 45.868 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 447 | GLN | 0 | 0.007 | 0.014 | 49.280 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 448 | ARG | 1 | 0.799 | 0.900 | 40.702 | 7.378 | 7.378 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 449 | LEU | 0 | -0.005 | -0.039 | 43.128 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 450 | LEU | 0 | 0.015 | 0.009 | 47.825 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 451 | PRO | 0 | 0.019 | 0.010 | 50.938 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 452 | VAL | 0 | -0.006 | -0.021 | 48.428 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 453 | LEU | 0 | -0.044 | 0.013 | 45.787 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 454 | CYS | 0 | -0.026 | -0.087 | 49.528 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 455 | GLN | 0 | 0.024 | -0.021 | 52.728 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 456 | ALA | 0 | -0.043 | -0.019 | 50.780 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 457 | HIS | 0 | -0.025 | -0.028 | 46.439 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 458 | GLY | 0 | -0.043 | 0.123 | 50.969 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 459 | LEU | 0 | 0.014 | -0.024 | 48.594 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 460 | THR | 0 | 0.038 | 0.024 | 52.803 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 461 | PRO | 0 | 0.077 | 0.035 | 53.899 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 462 | ASP | -1 | -0.844 | -0.920 | 54.113 | -5.601 | -5.601 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 463 | GLN | 0 | -0.054 | -0.028 | 51.342 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 464 | VAL | 0 | -0.018 | 0.004 | 49.110 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 465 | VAL | 0 | 0.011 | -0.011 | 49.647 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 466 | ALA | 0 | -0.009 | -0.007 | 50.705 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 467 | ILE | 0 | -0.079 | -0.035 | 44.710 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 468 | ALA | 0 | -0.051 | -0.021 | 45.598 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 469 | SER | 0 | -0.021 | -0.048 | 46.395 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 470 | ASN | 0 | 0.019 | 0.046 | 44.003 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 471 | GLY | 0 | 0.069 | 0.051 | 42.040 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 472 | GLY | 0 | -0.029 | -0.017 | 39.630 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 473 | GLY | 0 | 0.101 | 0.039 | 40.398 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 474 | LYS | 1 | 0.912 | 0.984 | 38.703 | 7.880 | 7.880 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 475 | GLN | 0 | -0.031 | -0.029 | 34.683 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 476 | ALA | 0 | 0.061 | 0.107 | 38.508 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 477 | LEU | 0 | 0.064 | 0.030 | 40.970 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 478 | GLU | -1 | -0.862 | -0.929 | 37.368 | -8.187 | -8.187 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 479 | THR | 0 | -0.158 | -0.153 | 36.184 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 480 | VAL | 0 | -0.005 | 0.003 | 38.482 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 481 | GLN | 0 | 0.050 | 0.028 | 40.146 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 482 | ARG | 1 | 0.874 | 0.945 | 35.639 | 8.511 | 8.511 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 483 | LEU | 0 | -0.038 | -0.034 | 35.677 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 484 | LEU | 0 | 0.025 | 0.022 | 39.831 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 485 | PRO | 0 | 0.063 | 0.028 | 42.523 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 486 | VAL | 0 | 0.023 | 0.010 | 37.650 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 487 | LEU | 0 | -0.019 | -0.011 | 37.928 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 488 | CYS | 0 | -0.031 | -0.023 | 41.283 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 489 | GLN | 0 | -0.022 | -0.006 | 43.472 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 490 | ALA | 0 | 0.001 | 0.025 | 39.082 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 491 | HIS | 1 | 0.791 | 0.886 | 37.269 | 8.098 | 8.098 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 492 | GLY | 0 | 0.034 | 0.034 | 42.304 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 493 | LEU | 0 | -0.054 | -0.009 | 41.849 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 494 | THR | 0 | 0.049 | -0.012 | 45.926 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 495 | PRO | 0 | 0.059 | 0.000 | 47.631 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 496 | ASP | -1 | -0.830 | -0.918 | 48.565 | -6.127 | -6.127 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 497 | GLN | 0 | 0.004 | 0.055 | 45.923 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 498 | VAL | 0 | 0.003 | 0.006 | 42.823 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 499 | VAL | 0 | 0.027 | 0.006 | 44.205 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 500 | ALA | 0 | -0.008 | -0.001 | 45.865 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 501 | ILE | 0 | -0.030 | -0.023 | 40.190 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 502 | ALA | 0 | -0.040 | -0.041 | 42.043 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 503 | SER | 0 | -0.102 | -0.041 | 43.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 504 | ASN | 0 | 0.048 | -0.010 | 43.605 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 505 | GLY | 0 | 0.106 | 0.097 | 39.934 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 506 | GLY | 0 | -0.010 | -0.006 | 38.326 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 507 | LYS | 1 | 0.920 | 0.946 | 32.665 | 9.119 | 9.119 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 508 | GLN | 0 | 0.060 | 0.018 | 31.447 | -0.360 | -0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 509 | ALA | 0 | 0.052 | 0.105 | 33.960 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 510 | LEU | 0 | 0.056 | 0.032 | 36.398 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 511 | GLU | -1 | -0.889 | -0.948 | 32.147 | -9.867 | -9.867 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 512 | THR | 0 | -0.128 | -0.112 | 31.546 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 513 | VAL | 0 | 0.059 | 0.015 | 32.858 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 514 | GLN | 0 | -0.025 | 0.000 | 33.119 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 515 | ARG | 1 | 0.825 | 0.908 | 27.862 | 10.774 | 10.774 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 516 | LEU | 0 | 0.003 | -0.013 | 28.941 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 517 | LEU | 0 | 0.017 | 0.042 | 32.696 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 518 | PRO | 0 | 0.019 | -0.011 | 33.402 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 519 | VAL | 0 | -0.015 | -0.006 | 29.657 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 520 | LEU | 0 | 0.026 | 0.017 | 32.922 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 521 | CYS | 0 | -0.083 | -0.022 | 35.513 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 522 | GLN | 0 | -0.001 | -0.022 | 37.251 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 523 | ALA | 0 | -0.011 | 0.004 | 34.147 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 524 | HIS | 0 | -0.007 | 0.001 | 32.118 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 525 | GLY | 0 | 0.007 | 0.009 | 37.289 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 526 | LEU | 0 | -0.043 | -0.004 | 38.484 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 527 | THR | 0 | 0.094 | 0.047 | 41.340 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 528 | PRO | 0 | -0.009 | -0.026 | 41.861 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 529 | ASP | -1 | -0.831 | -0.912 | 43.008 | -6.754 | -6.754 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 530 | GLN | 0 | 0.028 | 0.005 | 42.994 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 531 | VAL | 0 | -0.027 | -0.014 | 38.285 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 532 | VAL | 0 | 0.042 | 0.027 | 40.733 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 533 | ALA | 0 | -0.029 | 0.002 | 42.757 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 534 | ILE | 0 | -0.011 | -0.018 | 37.998 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 535 | ALA | 0 | -0.055 | -0.035 | 38.552 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 536 | SER | 0 | -0.033 | -0.027 | 39.963 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 537 | HIS | 1 | 0.823 | 0.908 | 41.719 | 7.471 | 7.471 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 538 | ASP | -1 | -0.779 | -0.880 | 40.493 | -7.791 | -7.791 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 539 | GLY | 0 | -0.053 | -0.018 | 37.575 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 540 | GLY | 0 | 0.019 | -0.009 | 36.281 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 541 | LYS | 1 | 0.791 | 0.897 | 28.875 | 10.505 | 10.505 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 542 | GLN | 0 | 0.042 | 0.008 | 30.455 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 543 | ALA | 0 | 0.018 | 0.050 | 33.077 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 544 | LEU | 0 | 0.077 | 0.026 | 34.064 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 545 | GLU | -1 | -0.930 | -0.966 | 28.186 | -11.294 | -11.294 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 546 | THR | 0 | -0.024 | -0.045 | 31.178 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 547 | VAL | 0 | -0.002 | 0.004 | 32.259 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 548 | GLN | 0 | -0.018 | -0.014 | 29.100 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 549 | ARG | 1 | 0.859 | 0.931 | 25.740 | 11.613 | 11.613 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 550 | LEU | 0 | 0.010 | -0.014 | 30.171 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 551 | LEU | 0 | 0.061 | 0.053 | 32.892 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 552 | PRO | 0 | 0.058 | 0.024 | 32.402 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 553 | VAL | 0 | -0.006 | 0.003 | 30.657 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 554 | LEU | 0 | -0.007 | 0.000 | 33.628 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 555 | CYS | 0 | -0.092 | -0.024 | 37.136 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 556 | GLN | 0 | -0.056 | -0.046 | 33.647 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 557 | THR | 0 | 0.016 | 0.019 | 34.654 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 558 | HIS | 0 | -0.057 | -0.017 | 36.639 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 559 | GLY | 0 | 0.038 | -0.008 | 40.077 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 560 | LEU | 0 | -0.028 | 0.022 | 40.502 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 561 | THR | 0 | 0.040 | 0.014 | 42.182 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 562 | PRO | 0 | 0.115 | 0.028 | 40.928 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 563 | ALA | 0 | -0.040 | -0.001 | 41.951 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 564 | GLN | 0 | 0.051 | -0.006 | 44.600 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 565 | VAL | 0 | 0.066 | 0.049 | 38.231 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 566 | VAL | 0 | -0.054 | -0.025 | 40.030 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 567 | ALA | 0 | -0.043 | -0.031 | 42.035 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 568 | ILE | 0 | 0.022 | 0.010 | 41.472 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 569 | ALA | 0 | -0.054 | -0.027 | 39.232 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 570 | SER | 0 | -0.063 | -0.031 | 40.606 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 571 | HIS | 0 | 0.012 | 0.006 | 42.493 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 572 | ASP | -1 | -0.806 | -0.902 | 41.833 | -7.523 | -7.523 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 573 | GLY | 0 | -0.089 | -0.045 | 39.870 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 574 | GLY | 0 | 0.053 | 0.026 | 38.656 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 575 | LYS | 1 | 0.983 | 0.995 | 29.017 | 10.664 | 10.664 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 576 | GLN | 0 | -0.016 | -0.013 | 34.917 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 577 | ALA | 0 | 0.022 | 0.042 | 37.134 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 578 | LEU | 0 | 0.048 | 0.013 | 36.069 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 579 | GLU | -1 | -0.942 | -0.987 | 31.997 | -10.112 | -10.112 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 580 | THR | 0 | -0.038 | -0.049 | 35.403 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 581 | VAL | 0 | 0.015 | 0.009 | 38.118 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 582 | GLN | 0 | -0.011 | -0.009 | 32.450 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 583 | GLN | 0 | -0.051 | -0.020 | 32.651 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 584 | LEU | 0 | -0.013 | -0.019 | 36.805 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 585 | LEU | 0 | 0.013 | 0.029 | 40.463 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 586 | PRO | 0 | 0.047 | 0.015 | 39.452 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 587 | VAL | 0 | 0.022 | 0.019 | 39.828 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 588 | LEU | 0 | -0.027 | -0.029 | 42.826 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 589 | CYS | 0 | -0.053 | -0.005 | 45.340 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 590 | GLN | 0 | -0.011 | 0.006 | 43.265 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 591 | ALA | 0 | -0.039 | 0.003 | 46.085 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 592 | HIS | 1 | 0.805 | 0.871 | 47.663 | 6.795 | 6.795 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 593 | GLY | 0 | 0.006 | -0.008 | 50.164 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 594 | LEU | 0 | -0.004 | 0.039 | 49.421 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 595 | THR | 0 | 0.083 | 0.022 | 49.345 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 596 | PRO | 0 | 0.125 | 0.054 | 46.142 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 597 | ASP | -1 | -0.889 | -0.940 | 47.721 | -6.510 | -6.510 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 598 | GLN | 0 | -0.004 | -0.016 | 49.645 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 599 | VAL | 0 | 0.033 | -0.007 | 44.522 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 600 | VAL | 0 | -0.007 | 0.010 | 44.900 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 601 | ALA | 0 | -0.043 | -0.029 | 46.584 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 602 | ILE | 0 | -0.029 | -0.005 | 47.541 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 603 | ALA | 0 | -0.044 | -0.024 | 43.179 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 604 | SER | 0 | -0.052 | -0.024 | 44.591 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 605 | ASN | 0 | 0.037 | 0.031 | 46.603 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 606 | ILE | 0 | 0.008 | 0.009 | 45.271 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 607 | GLY | 0 | -0.010 | -0.013 | 44.344 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 608 | GLY | 0 | 0.061 | 0.036 | 43.470 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 609 | LYS | 1 | 0.990 | 1.001 | 38.246 | 8.348 | 8.348 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 610 | GLN | 0 | 0.004 | -0.009 | 41.260 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 611 | ALA | 0 | 0.059 | 0.089 | 44.622 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 612 | LEU | 0 | 0.081 | 0.036 | 42.528 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 613 | ALA | 0 | -0.046 | -0.032 | 42.425 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 614 | THR | 0 | -0.105 | -0.110 | 44.363 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 615 | VAL | 0 | 0.045 | 0.029 | 46.680 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 616 | GLN | 0 | 0.006 | -0.004 | 43.988 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 617 | ARG | 1 | 0.829 | 0.945 | 46.339 | 6.724 | 6.724 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 618 | LEU | 0 | 0.016 | -0.033 | 48.268 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 619 | LEU | 0 | 0.004 | 0.037 | 50.881 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 620 | PRO | 0 | 0.058 | 0.020 | 51.096 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 621 | VAL | 0 | -0.050 | -0.019 | 52.719 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 622 | LEU | 0 | 0.020 | -0.007 | 55.109 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 623 | CYS | 0 | -0.036 | -0.003 | 57.141 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 624 | GLN | 0 | -0.016 | -0.008 | 58.416 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 625 | ALA | 0 | -0.025 | -0.025 | 58.622 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 626 | HIS | 0 | -0.074 | -0.033 | 58.539 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 627 | GLY | 0 | 0.014 | 0.020 | 61.670 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 628 | LEU | 0 | -0.014 | 0.000 | 59.292 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 629 | THR | 0 | 0.046 | 0.023 | 60.038 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 630 | PRO | 0 | 0.053 | 0.013 | 55.391 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 631 | ASP | -1 | -0.846 | -0.919 | 56.288 | -5.674 | -5.674 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 632 | GLN | 0 | -0.027 | -0.019 | 57.738 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 633 | VAL | 0 | 0.080 | 0.022 | 53.965 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 634 | VAL | 0 | 0.087 | 0.043 | 52.800 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 635 | ALA | 0 | -0.067 | -0.032 | 53.904 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 636 | ILE | 0 | -0.121 | -0.025 | 55.217 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 637 | ALA | 0 | -0.060 | -0.038 | 50.268 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 638 | SER | 0 | -0.086 | -0.054 | 51.423 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 639 | ASN | 0 | 0.042 | 0.042 | 52.330 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 640 | GLY | 0 | 0.014 | -0.007 | 51.929 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 641 | GLY | 0 | -0.016 | 0.001 | 51.682 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 642 | GLY | 0 | 0.036 | 0.016 | 50.290 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 643 | LYS | 1 | 0.986 | 1.004 | 45.462 | 7.087 | 7.087 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 644 | GLN | 0 | 0.005 | -0.042 | 50.210 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 645 | ALA | 0 | -0.011 | 0.008 | 52.717 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 646 | LEU | 0 | 0.078 | 0.037 | 50.944 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 647 | GLU | -1 | -0.921 | -0.972 | 49.988 | -6.440 | -6.440 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 648 | THR | 0 | -0.040 | -0.035 | 54.439 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 649 | VAL | 0 | 0.083 | 0.070 | 57.355 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 650 | GLN | 0 | 0.059 | 0.025 | 55.166 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 651 | ARG | 1 | 0.808 | 0.873 | 57.376 | 5.618 | 5.618 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 652 | LEU | 0 | -0.085 | -0.058 | 59.266 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 653 | LEU | 0 | -0.001 | 0.029 | 60.498 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 654 | PRO | 0 | 0.032 | 0.022 | 62.253 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 655 | VAL | 0 | 0.014 | 0.005 | 64.761 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 656 | LEU | 0 | -0.027 | -0.018 | 65.088 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 657 | CYS | 0 | -0.044 | -0.015 | 67.508 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 658 | GLN | 0 | -0.025 | 0.000 | 69.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 659 | ALA | 0 | -0.001 | -0.011 | 72.124 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 660 | HIS | 0 | -0.021 | -0.016 | 70.752 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 661 | GLY | 0 | -0.002 | 0.007 | 73.467 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 662 | LEU | 0 | -0.085 | -0.068 | 68.192 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 663 | THR | 0 | 0.063 | 0.046 | 69.439 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 664 | PRO | 0 | 0.130 | 0.042 | 65.668 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 665 | ASP | -1 | -0.867 | -0.896 | 65.951 | -4.809 | -4.809 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 666 | GLN | 0 | -0.044 | -0.063 | 66.433 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 667 | VAL | 0 | 0.023 | 0.016 | 62.679 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 668 | VAL | 0 | 0.000 | 0.002 | 60.475 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 669 | ALA | 0 | -0.004 | 0.024 | 61.518 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 670 | ILE | 0 | 0.006 | -0.001 | 62.474 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 671 | ALA | 0 | -0.107 | -0.044 | 58.397 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 672 | SER | 0 | 0.000 | -0.021 | 57.783 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 673 | ASN | 0 | -0.011 | -0.010 | 58.509 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 674 | GLY | 0 | 0.122 | 0.050 | 55.600 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 675 | GLY | 0 | -0.044 | -0.009 | 56.265 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 676 | GLY | 0 | 0.011 | -0.018 | 57.462 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 677 | LYS | 1 | 0.870 | 0.923 | 54.740 | 5.874 | 5.874 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 678 | GLN | 0 | -0.020 | -0.027 | 57.004 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 679 | ALA | 0 | 0.010 | 0.023 | 60.080 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 680 | LEU | 0 | 0.082 | 0.028 | 59.719 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 681 | GLU | -1 | -0.807 | -0.853 | 59.130 | -5.516 | -5.516 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 682 | THR | 0 | -0.013 | -0.032 | 63.384 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 683 | VAL | 0 | 0.045 | 0.023 | 65.845 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 684 | GLN | 0 | 0.035 | 0.009 | 64.528 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 685 | ARG | 1 | 0.758 | 0.878 | 64.283 | 5.014 | 5.014 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 686 | LEU | 0 | -0.050 | -0.038 | 69.218 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 687 | LEU | 0 | 0.054 | 0.049 | 71.019 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 688 | PRO | 0 | 0.072 | 0.032 | 73.315 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 689 | VAL | 0 | -0.035 | 0.000 | 74.568 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 690 | LEU | 0 | 0.003 | 0.005 | 73.065 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 691 | CYS | 0 | -0.042 | -0.019 | 77.402 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 692 | GLN | 0 | -0.023 | -0.023 | 79.426 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 693 | ALA | 0 | -0.034 | -0.011 | 79.976 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 694 | HIS | 1 | 0.849 | 0.917 | 77.863 | 4.180 | 4.180 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 695 | GLY | 0 | 0.034 | 0.043 | 81.768 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 696 | LEU | 0 | -0.016 | -0.001 | 76.178 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 697 | THR | 0 | 0.014 | -0.029 | 78.579 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 698 | GLN | 0 | 0.109 | 0.047 | 74.105 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 699 | VAL | 0 | -0.003 | 0.007 | 74.276 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 700 | GLN | 0 | 0.049 | 0.047 | 73.929 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 701 | VAL | 0 | 0.044 | 0.012 | 71.115 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 702 | VAL | 0 | 0.029 | 0.030 | 68.397 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 703 | ALA | 0 | 0.022 | 0.026 | 68.738 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 704 | ILE | 0 | -0.033 | 0.036 | 68.826 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 705 | ALA | 0 | -0.106 | -0.051 | 65.895 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 706 | SER | 0 | 0.007 | -0.027 | 64.525 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 707 | ASN | 0 | 0.036 | 0.036 | 63.761 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 708 | ILE | 0 | -0.027 | 0.021 | 57.283 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 709 | GLY | 0 | -0.069 | -0.059 | 60.940 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 710 | GLY | 0 | 0.076 | 0.039 | 62.110 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 711 | LYS | 1 | 0.891 | 0.948 | 62.449 | 5.076 | 5.076 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 712 | GLN | 0 | -0.071 | -0.049 | 62.277 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 713 | ALA | 0 | 0.055 | 0.022 | 65.190 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 714 | LEU | 0 | 0.083 | 0.046 | 67.402 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 715 | GLU | -1 | -0.789 | -0.883 | 67.725 | -4.758 | -4.758 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 716 | THR | 0 | -0.051 | -0.029 | 68.632 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 717 | VAL | 0 | 0.020 | 0.017 | 71.149 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 718 | GLN | 0 | 0.006 | -0.008 | 72.557 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 719 | ARG | 1 | 0.873 | 0.939 | 70.195 | 4.594 | 4.594 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 720 | LEU | 0 | 0.005 | -0.024 | 73.638 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 721 | LEU | 0 | 0.064 | 0.073 | 77.032 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 722 | PRO | 0 | -0.053 | -0.047 | 79.225 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 723 | VAL | 0 | 0.012 | 0.004 | 79.534 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 724 | LEU | 0 | 0.005 | 0.011 | 78.117 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 725 | CYS | 0 | -0.054 | -0.025 | 82.554 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 726 | GLN | 0 | -0.056 | -0.013 | 85.052 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 727 | ALA | 0 | 0.005 | -0.003 | 85.695 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 728 | HIS | 0 | -0.033 | -0.011 | 82.448 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 729 | GLY | 0 | 0.039 | 0.009 | 85.261 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 730 | LEU | 0 | -0.013 | -0.009 | 80.354 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 731 | THR | 0 | 0.080 | 0.051 | 83.612 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 732 | PRO | 0 | 0.081 | 0.012 | 80.906 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 733 | ALA | 0 | -0.022 | 0.006 | 79.912 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 734 | GLN | 0 | 0.046 | 0.019 | 78.807 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 735 | VAL | 0 | 0.040 | 0.027 | 76.261 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 736 | VAL | 0 | -0.001 | -0.020 | 74.255 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 737 | ALA | 0 | -0.008 | -0.001 | 74.139 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 738 | ILE | 0 | -0.044 | -0.020 | 73.806 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 739 | ALA | 0 | -0.088 | -0.056 | 71.788 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 740 | SER | 0 | -0.053 | -0.070 | 69.812 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 741 | HIS | 1 | 0.748 | 0.885 | 67.417 | 4.631 | 4.631 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 742 | ASP | -1 | -0.769 | -0.871 | 61.207 | -5.284 | -5.284 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 743 | GLY | 0 | -0.017 | -0.019 | 63.699 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 744 | GLY | 0 | 0.027 | 0.029 | 65.032 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 745 | LYS | 1 | 0.821 | 0.894 | 65.501 | 4.933 | 4.933 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 746 | GLN | 0 | 0.052 | 0.014 | 65.292 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 747 | ALA | 0 | 0.045 | 0.084 | 68.465 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 748 | LEU | 0 | 0.072 | 0.039 | 71.304 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 749 | GLU | -1 | -0.798 | -0.898 | 69.051 | -4.652 | -4.652 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 750 | THR | 0 | -0.197 | -0.136 | 71.336 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 751 | VAL | 0 | 0.114 | 0.072 | 73.704 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 752 | GLN | 0 | 0.019 | -0.012 | 74.910 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 753 | ARG | 1 | 0.798 | 0.925 | 71.317 | 4.509 | 4.509 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 754 | LEU | 0 | 0.033 | -0.019 | 74.927 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 755 | LEU | 0 | 0.006 | 0.040 | 78.376 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 756 | PRO | 0 | 0.003 | -0.014 | 80.735 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 757 | VAL | 0 | 0.117 | 0.055 | 80.938 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 758 | LEU | 0 | 0.018 | -0.002 | 78.659 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 759 | CYS | 0 | -0.040 | -0.024 | 83.103 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 760 | GLN | 0 | -0.074 | -0.044 | 86.269 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 761 | ALA | 0 | -0.029 | 0.002 | 84.835 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 762 | HIS | 0 | -0.049 | -0.029 | 81.008 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 763 | GLY | 0 | -0.017 | 0.029 | 85.441 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 764 | LEU | 0 | 0.035 | 0.042 | 81.008 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 765 | THR | 0 | 0.044 | -0.002 | 85.432 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 766 | PRO | 0 | 0.070 | 0.023 | 84.279 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 767 | ASP | -1 | -0.834 | -0.913 | 83.092 | -3.848 | -3.848 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 768 | GLN | 0 | -0.029 | -0.024 | 82.625 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 769 | VAL | 0 | 0.009 | -0.023 | 79.183 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 770 | VAL | 0 | -0.092 | -0.021 | 78.557 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 771 | ALA | 0 | 0.013 | 0.009 | 77.909 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 772 | ILE | 0 | -0.057 | 0.007 | 75.117 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 773 | ALA | 0 | 0.003 | -0.023 | 73.411 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 774 | SER | 0 | 0.090 | 0.055 | 72.901 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 775 | ASN | 0 | -0.040 | -0.032 | 70.457 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 776 | GLY | 0 | 0.041 | 0.008 | 66.188 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 777 | GLY | 0 | -0.013 | 0.006 | 66.269 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 778 | GLY | 0 | 0.047 | 0.017 | 67.093 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 779 | LYS | 1 | 0.904 | 0.946 | 67.033 | 4.707 | 4.707 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 780 | GLN | 0 | 0.006 | -0.008 | 65.390 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 781 | ALA | 0 | 0.050 | 0.072 | 69.006 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 782 | LEU | 0 | 0.043 | 0.013 | 71.768 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 783 | GLU | -1 | -0.914 | -0.961 | 69.580 | -4.602 | -4.602 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 784 | THR | 0 | -0.097 | -0.078 | 70.709 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 785 | VAL | 0 | 0.062 | 0.046 | 73.132 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 786 | GLN | 0 | -0.011 | -0.012 | 76.115 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 787 | ARG | 1 | 0.886 | 0.931 | 68.983 | 4.613 | 4.613 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 788 | LEU | 0 | -0.027 | -0.027 | 72.916 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 789 | LEU | 0 | 0.030 | 0.050 | 76.791 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 790 | PRO | 0 | -0.014 | 0.001 | 80.056 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 791 | VAL | 0 | 0.012 | 0.013 | 79.701 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 792 | LEU | 0 | -0.021 | -0.014 | 73.404 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 793 | CYS | 0 | -0.033 | -0.021 | 75.529 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 794 | GLN | 0 | 0.000 | 0.010 | 76.494 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 795 | ALA | 0 | 0.000 | -0.012 | 78.518 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 796 | HIS | 0 | -0.020 | 0.009 | 78.489 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 797 | GLY | 0 | -0.009 | -0.007 | 82.338 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 798 | LEU | 0 | 0.001 | -0.018 | 79.789 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 799 | THR | 0 | 0.027 | 0.023 | 84.320 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 800 | GLN | 0 | 0.051 | 0.005 | 83.634 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 801 | GLU | -1 | -0.863 | -0.929 | 83.363 | -3.761 | -3.761 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 802 | GLN | 0 | -0.021 | -0.036 | 82.425 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 803 | VAL | 0 | -0.009 | 0.007 | 78.656 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 804 | VAL | 0 | 0.038 | 0.019 | 78.553 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 805 | ALA | 0 | -0.014 | 0.035 | 78.043 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 806 | ILE | 0 | 0.004 | 0.007 | 74.259 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 807 | ALA | 0 | -0.053 | -0.022 | 73.667 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 808 | SER | 0 | -0.008 | -0.047 | 73.484 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 809 | ASN | 0 | -0.048 | -0.021 | 71.050 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 810 | ASN | 0 | 0.037 | -0.005 | 65.389 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 811 | GLY | 0 | -0.031 | -0.005 | 67.289 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 812 | GLY | 0 | 0.036 | 0.012 | 68.261 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 813 | LYS | 1 | 0.955 | 0.985 | 65.594 | 4.922 | 4.922 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 814 | GLN | 0 | -0.043 | -0.038 | 63.527 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 815 | ALA | 0 | 0.041 | 0.036 | 67.453 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 816 | LEU | 0 | 0.090 | 0.039 | 70.555 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 817 | GLU | -1 | -0.940 | -0.973 | 68.245 | -4.660 | -4.660 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 818 | THR | 0 | 0.003 | -0.018 | 67.910 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 819 | VAL | 0 | 0.041 | 0.023 | 69.986 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 820 | GLN | 0 | 0.003 | 0.012 | 71.782 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 821 | ARG | 1 | 0.810 | 0.906 | 65.989 | 4.852 | 4.852 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 822 | LEU | 0 | -0.023 | -0.029 | 68.899 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 823 | LEU | 0 | 0.012 | 0.005 | 73.092 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 824 | PRO | 0 | -0.011 | -0.010 | 75.927 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 825 | VAL | 0 | 0.016 | 0.004 | 71.934 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 826 | LEU | 0 | -0.025 | -0.010 | 72.763 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 827 | CYS | 0 | -0.118 | -0.044 | 76.143 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 828 | GLN | 0 | -0.003 | -0.002 | 77.790 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 829 | ALA | 0 | 0.047 | 0.058 | 75.601 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 830 | HIS | 0 | -0.083 | -0.060 | 75.739 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 831 | GLY | 0 | -0.020 | -0.067 | 78.117 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 832 | LEU | 0 | 0.018 | 0.022 | 76.130 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 833 | THR | 0 | 0.074 | 0.041 | 80.352 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 834 | PRO | 0 | 0.040 | 0.010 | 81.476 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 835 | ASP | -1 | -0.892 | -0.940 | 81.402 | -3.848 | -3.848 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 836 | GLN | 0 | -0.016 | -0.023 | 79.752 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 837 | VAL | 0 | 0.053 | 0.021 | 75.454 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 838 | VAL | 0 | 0.046 | 0.025 | 76.395 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 839 | ALA | 0 | 0.003 | 0.002 | 77.309 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 840 | ILE | 0 | -0.068 | -0.036 | 72.613 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 841 | ALA | 0 | -0.042 | -0.033 | 72.820 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 842 | SER | 0 | -0.039 | 0.008 | 73.517 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 843 | ASN | 0 | 0.024 | 0.010 | 71.625 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 844 | GLY | 0 | 0.029 | 0.002 | 68.512 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 845 | GLY | 0 | -0.072 | -0.019 | 66.047 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 846 | GLY | 0 | 0.075 | 0.023 | 66.924 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 847 | LYS | 1 | 0.932 | 0.983 | 62.427 | 5.135 | 5.135 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 848 | GLN | 0 | 0.024 | -0.003 | 62.339 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 849 | ALA | 0 | -0.027 | 0.000 | 65.196 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 850 | LEU | 0 | 0.098 | 0.029 | 68.345 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 851 | GLU | -1 | -0.846 | -0.902 | 63.957 | -5.016 | -5.016 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 852 | THR | 0 | -0.063 | -0.038 | 64.780 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 853 | VAL | 0 | -0.001 | -0.001 | 66.656 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 854 | GLN | 0 | -0.053 | -0.033 | 67.923 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 855 | ARG | 1 | 0.956 | 0.970 | 61.831 | 5.193 | 5.193 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 856 | LEU | 0 | -0.051 | -0.031 | 64.119 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 857 | LEU | 0 | 0.013 | 0.036 | 68.191 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 858 | PRO | 0 | -0.046 | -0.035 | 71.319 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 859 | VAL | 0 | 0.064 | 0.041 | 66.479 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 860 | LEU | 0 | 0.090 | 0.033 | 68.774 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 861 | CYS | 0 | -0.097 | 0.009 | 70.805 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 862 | GLN | 0 | 0.067 | 0.020 | 71.798 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 863 | ALA | 0 | -0.055 | -0.005 | 69.893 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 864 | HIS | 1 | 0.815 | 0.880 | 71.837 | 4.443 | 4.443 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 865 | GLY | 0 | 0.055 | 0.011 | 74.742 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 866 | LEU | 0 | -0.087 | -0.022 | 73.811 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 867 | THR | 0 | 0.126 | 0.077 | 77.328 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 868 | PRO | 0 | 0.051 | 0.032 | 77.475 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 869 | ALA | 0 | 0.016 | 0.010 | 77.930 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 870 | GLN | 0 | 0.032 | 0.002 | 77.390 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 871 | VAL | 0 | 0.045 | 0.028 | 73.243 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 872 | VAL | 0 | -0.014 | -0.026 | 74.443 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 873 | ALA | 0 | 0.018 | 0.020 | 76.041 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 874 | ILE | 0 | -0.049 | -0.029 | 70.738 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 875 | ALA | 0 | -0.012 | -0.016 | 71.057 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 876 | SER | 0 | -0.073 | -0.008 | 72.261 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 877 | ASN | 0 | 0.008 | 0.015 | 72.011 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 878 | ILE | 0 | 0.028 | 0.007 | 67.848 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 879 | GLY | 0 | -0.058 | -0.028 | 65.896 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 880 | GLY | 0 | 0.106 | 0.051 | 66.616 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 881 | LYS | 1 | 0.943 | 0.985 | 59.325 | 5.349 | 5.349 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 882 | GLN | 0 | -0.019 | -0.021 | 59.789 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 883 | ALA | 0 | 0.050 | 0.034 | 63.779 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 884 | LEU | 0 | -0.006 | -0.002 | 66.993 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 885 | GLU | -1 | -0.879 | -0.945 | 60.199 | -5.446 | -5.446 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 886 | THR | 0 | -0.031 | -0.010 | 62.932 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 887 | VAL | 0 | 0.017 | 0.009 | 64.105 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 888 | GLN | 0 | -0.019 | -0.032 | 62.492 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 889 | ARG | 1 | 0.813 | 0.896 | 57.732 | 5.498 | 5.498 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 890 | LEU | 0 | -0.004 | -0.001 | 62.144 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 891 | LEU | 0 | -0.016 | -0.004 | 64.793 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 892 | PRO | 0 | -0.009 | -0.011 | 65.393 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 893 | VAL | 0 | 0.049 | 0.017 | 62.979 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 894 | LEU | 0 | 0.000 | 0.016 | 66.400 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 895 | CYS | 0 | -0.029 | -0.020 | 69.252 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 896 | GLN | 0 | -0.108 | -0.041 | 68.575 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 897 | ASP | -1 | -0.957 | -0.955 | 66.686 | -4.819 | -4.819 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 898 | HIS | 0 | 0.083 | 0.017 | 66.044 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 899 | GLY | 0 | -0.009 | 0.018 | 71.237 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 900 | LEU | 0 | 0.013 | 0.001 | 71.325 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 901 | THR | 0 | 0.005 | -0.008 | 74.528 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 902 | LEU | 0 | 0.044 | 0.024 | 75.236 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 903 | ALA | 0 | -0.026 | -0.030 | 76.214 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 904 | GLN | 0 | 0.097 | 0.071 | 76.060 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 905 | VAL | 0 | 0.078 | 0.032 | 71.271 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 906 | VAL | 0 | -0.042 | -0.035 | 72.963 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 907 | ALA | 0 | 0.053 | 0.066 | 75.235 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 908 | ILE | 0 | -0.034 | -0.015 | 70.392 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 909 | ALA | 0 | -0.060 | -0.045 | 70.244 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 910 | SER | 0 | -0.062 | -0.055 | 71.331 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 911 | ASN | 0 | 0.025 | 0.041 | 72.838 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 912 | ILE | 0 | 0.040 | -0.001 | 69.487 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 913 | GLY | 0 | -0.015 | -0.005 | 67.116 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 914 | GLY | 0 | 0.071 | 0.044 | 67.568 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 915 | LYS | 1 | 0.957 | 0.990 | 58.227 | 5.476 | 5.476 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 916 | GLN | 0 | -0.015 | -0.022 | 60.689 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 917 | ALA | 0 | 0.022 | 0.002 | 64.455 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 918 | LEU | 0 | 0.089 | 0.024 | 66.010 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 919 | GLU | -1 | -0.977 | -0.980 | 59.761 | -5.511 | -5.511 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 920 | THR | 0 | -0.028 | -0.005 | 62.156 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 921 | VAL | 0 | 0.010 | 0.007 | 64.226 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 922 | GLN | 0 | 0.021 | 0.001 | 60.806 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 923 | ARG | 1 | 0.847 | 0.916 | 56.474 | 5.553 | 5.553 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 924 | LEU | 0 | 0.001 | -0.008 | 62.557 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 925 | LEU | 0 | -0.023 | 0.018 | 65.268 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 926 | PRO | 0 | 0.013 | 0.009 | 65.088 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 927 | VAL | 0 | 0.016 | -0.014 | 63.665 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 928 | LEU | 0 | -0.003 | 0.007 | 66.978 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 929 | CYS | 0 | 0.031 | 0.011 | 70.293 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 930 | GLN | 0 | -0.013 | 0.000 | 67.222 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 931 | ALA | 0 | -0.014 | -0.011 | 68.218 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 932 | HIS | 1 | 0.791 | 0.883 | 68.650 | 4.613 | 4.613 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 933 | GLY | 0 | 0.062 | 0.062 | 73.212 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 934 | LEU | 0 | -0.018 | 0.013 | 73.113 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 935 | THR | 0 | 0.012 | -0.003 | 75.619 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 936 | GLN | 0 | 0.027 | -0.024 | 74.105 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 937 | ASP | -1 | -0.905 | -0.957 | 75.627 | -4.137 | -4.137 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 938 | GLN | 0 | 0.015 | 0.022 | 77.410 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 939 | VAL | 0 | 0.044 | 0.022 | 71.269 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 940 | VAL | 0 | 0.046 | 0.016 | 73.767 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 941 | ALA | 0 | 0.001 | 0.058 | 74.889 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 942 | ILE | 0 | 0.001 | 0.022 | 72.760 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 943 | ALA | 0 | -0.058 | -0.037 | 71.255 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 944 | SER | 0 | -0.146 | -0.124 | 72.822 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 945 | ASN | 0 | 0.019 | -0.005 | 74.363 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 946 | ILE | 0 | 0.035 | 0.012 | 72.037 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 947 | GLY | 0 | -0.071 | -0.033 | 69.484 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 948 | GLY | 0 | 0.092 | 0.062 | 70.516 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 949 | LYS | 1 | 0.880 | 0.947 | 61.483 | 5.228 | 5.228 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 950 | GLN | 0 | -0.022 | -0.029 | 63.997 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 951 | ALA | 0 | 0.040 | 0.028 | 67.584 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 952 | LEU | 0 | 0.038 | 0.014 | 68.203 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 953 | GLU | -1 | -0.931 | -0.965 | 62.438 | -5.222 | -5.222 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 954 | THR | 0 | -0.061 | -0.041 | 66.672 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 955 | VAL | 0 | 0.081 | 0.064 | 68.706 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 956 | GLN | 0 | -0.056 | -0.045 | 64.566 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 957 | ARG | 1 | 0.858 | 0.942 | 64.509 | 4.933 | 4.933 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 958 | LEU | 0 | -0.053 | -0.032 | 66.980 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 959 | LEU | 0 | 0.040 | 0.020 | 69.652 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 960 | PRO | 0 | 0.002 | 0.007 | 69.194 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 961 | VAL | 0 | -0.010 | -0.016 | 70.401 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 962 | LEU | 0 | 0.046 | 0.033 | 73.067 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 963 | CYS | 0 | -0.046 | -0.010 | 75.766 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 964 | GLN | 0 | -0.092 | -0.090 | 73.135 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 965 | ASP | -1 | -0.966 | -0.956 | 75.675 | -4.226 | -4.226 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 966 | HIS | 0 | 0.053 | 0.046 | 77.629 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 967 | GLY | 0 | -0.003 | -0.028 | 80.337 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 968 | LEU | 0 | 0.020 | 0.014 | 79.589 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 969 | THR | 0 | 0.020 | -0.022 | 79.881 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 970 | PRO | 0 | 0.029 | -0.008 | 77.703 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 971 | ASP | -1 | -0.838 | -0.914 | 78.790 | -4.041 | -4.041 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 972 | GLN | 0 | 0.070 | 0.078 | 81.495 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 973 | VAL | 0 | 0.029 | 0.008 | 75.682 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 974 | VAL | 0 | -0.027 | -0.016 | 76.534 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 975 | ALA | 0 | -0.019 | -0.011 | 78.221 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 976 | ILE | 0 | -0.041 | 0.013 | 78.033 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 977 | ALA | 0 | -0.068 | -0.054 | 74.534 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 978 | SER | 0 | 0.010 | -0.003 | 75.550 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 979 | ASN | 0 | -0.010 | 0.049 | 77.930 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 980 | ILE | 0 | 0.045 | 0.009 | 75.676 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 981 | GLY | 0 | -0.024 | -0.024 | 75.366 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 982 | GLY | 0 | 0.079 | 0.041 | 73.888 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 983 | LYS | 1 | 0.897 | 0.949 | 65.593 | 4.918 | 4.918 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 984 | GLN | 0 | 0.009 | -0.004 | 70.354 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 985 | ALA | 0 | -0.003 | -0.002 | 73.163 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 986 | LEU | 0 | 0.044 | 0.035 | 72.594 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 987 | GLU | -1 | -0.916 | -0.973 | 68.048 | -4.772 | -4.772 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 988 | THR | 0 | -0.031 | -0.010 | 72.755 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 989 | VAL | 0 | 0.058 | 0.016 | 75.491 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 990 | GLN | 0 | 0.029 | 0.033 | 73.519 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 991 | ARG | 1 | 0.860 | 0.910 | 71.409 | 4.487 | 4.487 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 992 | LEU | 0 | -0.008 | -0.016 | 75.339 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 993 | LEU | 0 | -0.021 | 0.031 | 78.825 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 994 | PRO | 0 | -0.050 | -0.038 | 77.457 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 995 | VAL | 0 | 0.049 | 0.024 | 79.929 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 996 | LEU | 0 | 0.001 | 0.011 | 82.552 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 997 | CYS | 0 | -0.041 | -0.013 | 84.328 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 998 | GLN | 0 | -0.038 | -0.030 | 83.817 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 999 | ASP | -1 | -0.890 | -0.936 | 83.416 | -3.876 | -3.876 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 1000 | HIS | 0 | -0.093 | -0.051 | 86.433 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 1001 | GLY | 0 | -0.002 | 0.031 | 88.416 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 1002 | LEU | 0 | -0.050 | -0.024 | 87.267 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 1003 | THR | 0 | 0.018 | 0.002 | 88.843 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 1004 | LEU | 0 | 0.057 | 0.008 | 82.917 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 1005 | ASP | -1 | -0.875 | -0.949 | 85.666 | -3.750 | -3.750 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 1006 | GLN | 0 | 0.000 | -0.003 | 88.321 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 1007 | VAL | 0 | 0.020 | 0.015 | 82.746 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | A | 1008 | VAL | 0 | 0.028 | 0.042 | 82.568 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | A | 1009 | ALA | 0 | 0.025 | 0.010 | 84.248 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | A | 1010 | ILE | 0 | 0.008 | 0.009 | 84.133 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | A | 1011 | ALA | 0 | -0.084 | -0.048 | 80.200 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | A | 1012 | SER | 0 | -0.024 | -0.059 | 80.946 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | A | 1013 | ASN | 0 | -0.032 | 0.033 | 83.148 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | A | 1014 | GLY | 0 | 0.034 | -0.014 | 83.838 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | A | 1015 | GLY | 0 | -0.048 | -0.028 | 80.129 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | A | 1016 | LYS | 1 | 0.978 | 0.967 | 74.325 | 4.332 | 4.332 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | A | 1017 | GLN | 0 | 0.001 | 0.020 | 78.626 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | A | 1018 | ALA | 0 | 0.044 | 0.040 | 80.436 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | A | 1019 | LEU | 0 | 0.020 | 0.004 | 79.362 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | A | 1020 | GLU | -1 | -0.965 | -0.982 | 76.776 | -4.222 | -4.222 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | A | 1021 | THR | 0 | -0.062 | -0.062 | 81.541 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | A | 1022 | VAL | 0 | 0.052 | 0.045 | 84.202 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | A | 1023 | GLN | 0 | 0.048 | -0.004 | 80.859 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | A | 1024 | ARG | 1 | 0.846 | 0.930 | 78.248 | 4.123 | 4.123 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | A | 1025 | LEU | 0 | -0.019 | -0.003 | 85.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | A | 1026 | LEU | 0 | 0.016 | 0.001 | 88.812 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | A | 1027 | PRO | 0 | -0.030 | -0.004 | 88.693 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | A | 1028 | VAL | 0 | 0.032 | 0.003 | 90.850 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | A | 1029 | LEU | 0 | 0.015 | 0.014 | 93.262 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | A | 1030 | CYS | 0 | -0.048 | -0.016 | 94.722 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | A | 1031 | GLN | 0 | -0.101 | -0.048 | 94.144 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | A | 1032 | ASP | -1 | -0.918 | -0.935 | 97.292 | -3.323 | -3.323 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | A | 1033 | HIS | 0 | -0.065 | -0.054 | 99.132 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | A | 1034 | GLY | 0 | -0.016 | -0.006 | 102.413 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | A | 1035 | LEU | 0 | 0.052 | 0.036 | 98.069 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | A | 1036 | THR | 0 | -0.007 | -0.001 | 98.970 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | A | 1037 | PRO | 0 | 0.028 | 0.004 | 94.582 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | A | 1038 | ASP | -1 | -0.903 | -0.954 | 95.279 | -3.333 | -3.333 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | A | 1039 | GLN | 0 | -0.042 | -0.034 | 97.219 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | A | 1040 | VAL | 0 | -0.092 | -0.030 | 91.975 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | A | 1041 | VAL | 0 | -0.007 | 0.015 | 90.605 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | A | 1042 | ALA | 0 | -0.015 | -0.028 | 89.551 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | A | 1043 | ILE | 0 | 0.009 | -0.007 | 90.052 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | A | 1044 | DAL | 0 | -0.041 | -0.017 | 92.488 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | A | 1045 | SER | 0 | 0.071 | 0.019 | 95.662 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | A | 1046 | ASN | 0 | -0.066 | 0.067 | 97.343 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | A | 1047 | SER | 0 | 0.034 | -0.033 | 97.579 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | A | 1048 | GLY | 0 | 0.012 | -0.005 | 100.755 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |