FMODB ID: 1413Z
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 | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 873 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -18912115.75905 |
---|---|
FMO2-HF: Nuclear repulsion | 18596647.662123 |
FMO2-HF: Total energy | -315468.096927 |
FMO2-MP2: Total energy | -316393.424058 |
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. |
23.962 | 25.556 | -0.074 | -0.206 | -1.314 | 0.002 |
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 | 0.057 | 0.026 | 3.635 | 0.039 | 1.537 | -0.073 | -0.196 | -1.230 | 0.002 |
4 | A | 172 | DVA | 0 | 0.014 | -0.018 | 5.741 | 3.430 | 3.430 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 173 | ARG | 1 | 0.999 | 1.012 | 8.434 | 21.705 | 21.705 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 181 | GLU | -1 | -0.923 | -0.975 | 14.327 | -14.697 | -14.697 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 182 | ALA | 0 | -0.054 | -0.028 | 11.926 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 183 | LEU | 0 | -0.091 | -0.025 | 7.952 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 184 | VAL | 0 | 0.093 | 0.029 | 10.935 | 0.996 | 0.996 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 185 | GLY | 0 | -0.043 | -0.010 | 11.076 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 186 | HIS | 0 | 0.038 | 0.011 | 11.705 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 187 | GLY | 0 | -0.011 | -0.009 | 12.388 | -0.908 | -0.908 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 188 | PHE | 0 | -0.038 | -0.012 | 14.481 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 189 | THR | 0 | -0.035 | -0.023 | 15.747 | 0.899 | 0.899 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 190 | HIS | 0 | 0.046 | 0.008 | 10.390 | -0.864 | -0.864 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 191 | ALA | 0 | -0.053 | 0.010 | 14.552 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 192 | HIS | 0 | 0.017 | -0.013 | 7.406 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 193 | ILE | 0 | 0.014 | 0.032 | 4.281 | 0.187 | 0.283 | -0.001 | -0.010 | -0.084 | 0.000 |
19 | A | 194 | DVA | 0 | 0.045 | -0.006 | 8.637 | -0.664 | -0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 195 | ALA | 0 | -0.021 | 0.009 | 5.744 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 196 | LEU | 0 | 0.008 | -0.002 | 7.523 | -1.841 | -1.841 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 197 | SER | 0 | 0.000 | 0.026 | 9.959 | -1.394 | -1.394 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 198 | GLN | 0 | -0.038 | -0.037 | 6.770 | -1.959 | -1.959 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 199 | HIS | 0 | 0.022 | 0.011 | 9.465 | 0.784 | 0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 200 | PRO | 0 | -0.090 | -0.024 | 11.773 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 201 | ALA | 0 | 0.111 | 0.029 | 9.957 | -1.027 | -1.027 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 202 | ALA | 0 | -0.122 | -0.011 | 11.772 | 0.566 | 0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 203 | LEU | 0 | -0.007 | -0.046 | 11.316 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 204 | GLY | 0 | 0.057 | 0.069 | 14.224 | -0.664 | -0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 205 | THR | 0 | -0.157 | -0.133 | 15.608 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 206 | VAL | 0 | 0.111 | 0.021 | 17.200 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 207 | ALA | 0 | -0.141 | 0.007 | 18.984 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 208 | VAL | 0 | 0.051 | 0.014 | 16.790 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 209 | THR | 0 | -0.073 | -0.084 | 18.584 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 210 | TYR | -1 | -0.712 | -0.856 | 14.522 | -18.867 | -18.867 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 211 | GLN | 0 | -0.072 | -0.020 | 16.393 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 212 | HIS | 0 | -0.009 | 0.016 | 15.096 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 213 | ILE | 0 | 0.044 | -0.026 | 18.407 | -0.721 | -0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 214 | ILE | 0 | -0.036 | 0.026 | 19.002 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 215 | THR | 0 | 0.066 | -0.006 | 22.538 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 216 | ALA | 0 | -0.081 | -0.048 | 23.494 | 0.551 | 0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 217 | LEU | 0 | 0.096 | 0.083 | 25.217 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 218 | PRO | 0 | -0.061 | -0.032 | 27.330 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 219 | GLU | -1 | -0.836 | -0.925 | 28.151 | -10.173 | -10.173 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 220 | ALA | 0 | -0.006 | 0.011 | 25.201 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 221 | THR | 0 | -0.042 | -0.042 | 22.813 | -0.650 | -0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 222 | HIS | 0 | 0.056 | 0.033 | 16.823 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 223 | GLU | -1 | -0.877 | -0.972 | 19.350 | -15.909 | -15.909 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 224 | ASP | -1 | -0.891 | -0.929 | 22.066 | -11.421 | -11.421 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 225 | ILE | 0 | 0.046 | 0.019 | 20.586 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 226 | VAL | 0 | 0.072 | 0.049 | 18.348 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 227 | GLY | 0 | -0.070 | -0.035 | 21.349 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 228 | VAL | 0 | -0.048 | -0.036 | 24.300 | 0.608 | 0.608 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 229 | GLY | 0 | 0.001 | 0.015 | 22.438 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 230 | LYS | 1 | 0.883 | 0.937 | 21.637 | 12.231 | 12.231 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 231 | GLN | 0 | -0.044 | 0.001 | 22.803 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 232 | TRP | 0 | 0.087 | 0.041 | 25.687 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 233 | SER | 0 | -0.071 | -0.061 | 27.307 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 234 | GLY | 0 | 0.063 | 0.036 | 24.643 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 235 | ALA | 0 | 0.093 | 0.039 | 23.238 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 236 | ARG | 1 | 0.959 | 0.963 | 25.076 | 9.494 | 9.494 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 237 | ALA | 0 | -0.011 | 0.000 | 28.222 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 238 | LEU | 0 | -0.013 | -0.015 | 23.360 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 239 | GLU | -1 | -0.911 | -0.958 | 27.014 | -11.073 | -11.073 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 240 | ALA | 0 | 0.004 | 0.000 | 29.458 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 241 | LEU | 0 | 0.014 | -0.001 | 28.958 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 242 | LEU | 0 | -0.016 | -0.002 | 30.039 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 243 | THR | 0 | -0.048 | -0.026 | 31.978 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 244 | ASP | -1 | -0.892 | -0.961 | 35.391 | -8.302 | -8.302 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 245 | ALA | 0 | 0.043 | 0.005 | 32.809 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 246 | GLY | 0 | 0.000 | 0.007 | 34.827 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 247 | GLU | -1 | -0.959 | -0.949 | 35.834 | -7.412 | -7.412 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 248 | LEU | 0 | 0.026 | -0.009 | 35.708 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 249 | ARG | 1 | 0.874 | 0.946 | 32.141 | 9.708 | 9.708 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 250 | GLY | 0 | 0.036 | 0.027 | 37.871 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 251 | PRO | 0 | -0.041 | -0.017 | 40.907 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 252 | PRO | 0 | 0.007 | -0.007 | 42.691 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 253 | LEU | 0 | 0.048 | 0.066 | 39.301 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 254 | GLN | 0 | -0.053 | -0.055 | 42.910 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 255 | LEU | 0 | -0.073 | -0.034 | 39.079 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 256 | ASP | -1 | -0.854 | -0.917 | 36.942 | -8.832 | -8.832 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 257 | THR | 0 | 0.059 | -0.002 | 31.561 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 258 | GLY | 0 | 0.000 | 0.000 | 31.263 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 259 | GLN | 0 | -0.010 | 0.003 | 32.191 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 260 | LEU | 0 | 0.089 | 0.034 | 33.550 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 261 | VAL | 0 | -0.002 | 0.012 | 28.262 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 262 | LYS | 1 | 0.863 | 0.932 | 31.100 | 8.409 | 8.409 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 263 | ILE | 0 | -0.051 | -0.028 | 33.311 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 264 | ALA | 0 | 0.057 | 0.022 | 30.442 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 265 | LYS | 1 | 0.789 | 0.926 | 27.998 | 11.138 | 11.138 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 266 | ARG | 1 | 0.811 | 0.865 | 30.374 | 8.867 | 8.867 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 267 | GLY | 0 | 0.061 | 0.040 | 33.117 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 268 | GLY | 0 | -0.016 | 0.000 | 31.553 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 269 | VAL | 0 | 0.008 | -0.006 | 31.155 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 270 | THR | 0 | -0.034 | -0.004 | 32.947 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 271 | ALA | 0 | 0.016 | 0.012 | 36.199 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 272 | MET | 0 | 0.017 | 0.031 | 31.612 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 273 | GLU | -1 | -0.815 | -0.896 | 35.680 | -8.358 | -8.358 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 274 | ALA | 0 | -0.031 | -0.027 | 38.485 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 275 | VAL | 0 | -0.007 | 0.007 | 39.728 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 276 | HIS | 0 | -0.051 | -0.023 | 36.618 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 277 | ALA | 0 | 0.049 | 0.041 | 41.525 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 278 | SER | 0 | 0.019 | -0.014 | 43.949 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 279 | ARG | 1 | 0.822 | 0.918 | 43.539 | 7.401 | 7.401 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 280 | ASN | 0 | 0.066 | 0.018 | 46.206 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 281 | ALA | 0 | -0.001 | 0.003 | 49.521 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 282 | LEU | 0 | -0.051 | -0.033 | 45.982 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 283 | THR | 0 | -0.021 | -0.026 | 48.091 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 284 | GLY | 0 | 0.019 | 0.002 | 50.594 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 285 | ALA | 0 | -0.076 | -0.037 | 54.251 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 286 | PRO | 0 | -0.048 | 0.017 | 53.208 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 287 | LEU | 0 | 0.002 | 0.002 | 54.247 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 288 | ASN | 0 | -0.084 | -0.047 | 50.886 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 289 | LEU | 0 | 0.018 | 0.010 | 48.097 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 290 | THR | 0 | 0.030 | 0.016 | 47.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 291 | PRO | 0 | 0.108 | 0.029 | 43.506 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 292 | ALA | 0 | -0.050 | -0.024 | 43.415 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 293 | GLN | 0 | 0.031 | 0.002 | 43.755 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 294 | VAL | 0 | 0.097 | 0.083 | 42.805 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 295 | VAL | 0 | 0.001 | -0.006 | 38.315 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 296 | ALA | 0 | -0.087 | -0.047 | 40.072 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 297 | ILE | 0 | 0.024 | 0.003 | 42.349 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 298 | ALA | 0 | 0.019 | 0.024 | 39.773 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 299 | SER | 0 | -0.020 | -0.013 | 36.482 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 300 | ASN | 0 | -0.081 | -0.046 | 36.714 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 301 | ASN | 0 | 0.120 | 0.073 | 34.451 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 302 | GLY | 0 | -0.125 | -0.052 | 37.022 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 303 | GLY | 0 | 0.110 | 0.054 | 38.697 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 304 | LYS | 1 | 0.859 | 0.924 | 38.529 | 8.138 | 8.138 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 305 | GLN | 0 | 0.025 | 0.022 | 41.383 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 306 | ALA | 0 | -0.014 | -0.004 | 43.157 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 307 | LEU | 0 | 0.010 | -0.008 | 42.192 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 308 | GLU | -1 | -0.864 | -0.941 | 45.064 | -6.624 | -6.624 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 309 | THR | 0 | -0.113 | -0.073 | 47.321 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 310 | VAL | 0 | 0.018 | 0.029 | 48.454 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 311 | GLN | 0 | -0.001 | -0.011 | 48.644 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 312 | ARG | 1 | 0.846 | 0.928 | 49.630 | 6.272 | 6.272 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 313 | LEU | 0 | -0.083 | -0.057 | 53.015 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 314 | LEU | 0 | 0.065 | 0.046 | 53.011 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 315 | PRO | 0 | 0.067 | 0.021 | 55.313 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 316 | VAL | 0 | 0.029 | 0.002 | 58.670 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 317 | LEU | 0 | -0.020 | -0.002 | 54.776 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 318 | CYS | 0 | -0.088 | -0.035 | 57.819 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 319 | GLN | 0 | -0.016 | -0.011 | 60.610 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 320 | ALA | 0 | -0.040 | -0.015 | 63.177 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 321 | HIS | 0 | 0.006 | -0.014 | 61.251 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 322 | GLY | 0 | -0.010 | 0.031 | 63.016 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 323 | LEU | 0 | 0.005 | 0.015 | 56.599 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 324 | THR | 0 | 0.016 | -0.022 | 56.674 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 325 | PRO | 0 | 0.065 | 0.012 | 54.165 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 326 | ALA | 0 | -0.048 | -0.023 | 52.315 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 327 | GLN | 0 | 0.081 | 0.042 | 51.717 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 328 | VAL | 0 | 0.099 | 0.063 | 51.794 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 329 | VAL | 0 | -0.037 | -0.013 | 48.157 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 330 | ALA | 0 | -0.015 | -0.013 | 47.587 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 331 | ILE | 0 | -0.039 | -0.011 | 48.093 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 332 | ALA | 0 | -0.052 | -0.038 | 46.489 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 333 | SER | 0 | 0.013 | 0.012 | 43.963 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 334 | HIS | 0 | -0.023 | 0.016 | 41.781 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 335 | ASP | -1 | -0.750 | -0.886 | 37.636 | -8.310 | -8.310 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 336 | GLY | 0 | 0.045 | 0.023 | 40.827 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 337 | GLY | 0 | 0.093 | 0.049 | 43.637 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 338 | LYS | 1 | 0.883 | 0.959 | 45.251 | 6.736 | 6.736 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 339 | GLN | 0 | 0.027 | 0.008 | 45.396 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 340 | ALA | 0 | -0.061 | -0.003 | 47.337 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 341 | LEU | 0 | 0.071 | 0.010 | 49.080 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 342 | GLU | -1 | -0.881 | -0.939 | 50.577 | -6.044 | -6.044 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 343 | THR | 0 | -0.068 | -0.048 | 51.318 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 344 | MET | 0 | 0.044 | 0.022 | 53.666 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 345 | GLN | 0 | 0.008 | -0.009 | 55.305 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 346 | ARG | 1 | 0.851 | 0.933 | 54.754 | 5.688 | 5.688 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 347 | LEU | 0 | 0.025 | -0.002 | 55.687 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 348 | LEU | 0 | 0.021 | 0.054 | 58.943 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 349 | PRO | 0 | 0.018 | -0.007 | 60.200 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 350 | VAL | 0 | 0.037 | 0.024 | 61.759 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 351 | LEU | 0 | 0.020 | 0.009 | 57.927 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 352 | CYS | 0 | -0.027 | -0.012 | 62.651 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 353 | GLN | 0 | -0.040 | -0.033 | 65.578 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 354 | ALA | 0 | -0.017 | -0.008 | 66.239 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 355 | HIS | 0 | -0.081 | -0.049 | 63.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 356 | GLY | 0 | -0.019 | 0.019 | 65.895 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 357 | LEU | 0 | 0.032 | 0.028 | 60.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 358 | PRO | 0 | -0.004 | -0.011 | 62.974 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 359 | PRO | 0 | 0.094 | 0.034 | 61.299 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 360 | ASP | -1 | -0.903 | -0.954 | 58.647 | -5.485 | -5.485 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 361 | GLN | 0 | -0.037 | -0.031 | 57.344 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 362 | VAL | 0 | 0.015 | 0.004 | 56.835 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 363 | VAL | 0 | -0.037 | -0.019 | 54.063 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 364 | ALA | 0 | -0.002 | -0.001 | 52.943 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 365 | ILE | 0 | -0.023 | 0.015 | 52.147 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 366 | ALA | 0 | 0.003 | -0.006 | 51.009 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 367 | SER | 0 | -0.052 | -0.020 | 49.008 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 368 | ASN | 0 | 0.021 | -0.015 | 45.907 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 369 | ILE | 0 | 0.072 | 0.042 | 40.297 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 370 | GLY | 0 | -0.068 | -0.034 | 43.586 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 371 | GLY | 0 | 0.078 | 0.034 | 45.506 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 372 | LYS | 1 | 0.869 | 0.957 | 47.764 | 6.512 | 6.512 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 373 | GLN | 0 | -0.008 | -0.008 | 46.588 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 374 | ALA | 0 | -0.017 | 0.026 | 49.180 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 375 | LEU | 0 | 0.035 | -0.002 | 51.189 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 376 | GLU | -1 | -0.924 | -0.989 | 50.835 | -6.030 | -6.030 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 377 | THR | 0 | -0.056 | -0.052 | 51.408 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 378 | VAL | 0 | 0.049 | 0.041 | 54.187 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 379 | GLN | 0 | 0.065 | 0.029 | 56.842 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 380 | ARG | 1 | 0.848 | 0.917 | 54.478 | 5.659 | 5.659 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 381 | LEU | 0 | -0.019 | -0.017 | 55.399 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 382 | LEU | 0 | -0.002 | 0.025 | 58.828 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 383 | PRO | 0 | 0.036 | 0.008 | 60.802 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 384 | VAL | 0 | -0.061 | -0.033 | 61.407 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 385 | LEU | 0 | 0.047 | 0.047 | 58.117 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 386 | CYS | 0 | 0.027 | -0.002 | 62.762 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 387 | GLN | 0 | -0.004 | -0.010 | 65.403 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 388 | ALA | 0 | -0.097 | -0.037 | 64.630 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 389 | HIS | 0 | -0.040 | -0.043 | 61.169 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 390 | GLY | 0 | -0.012 | 0.014 | 64.741 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 391 | LEU | 0 | -0.036 | -0.002 | 58.765 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 392 | THR | 0 | 0.062 | 0.028 | 63.113 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 393 | PRO | 0 | 0.065 | 0.027 | 62.022 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 394 | ASP | -1 | -0.840 | -0.925 | 61.045 | -5.150 | -5.150 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 395 | GLN | 0 | -0.027 | -0.020 | 58.880 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 396 | VAL | 0 | 0.033 | -0.007 | 56.758 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 397 | VAL | 0 | -0.004 | 0.020 | 56.187 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 398 | ALA | 0 | 0.008 | -0.006 | 54.610 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 399 | ILE | 0 | -0.045 | -0.004 | 52.341 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 400 | ALA | 0 | -0.042 | -0.034 | 51.691 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 401 | SER | 0 | -0.076 | -0.031 | 51.168 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 402 | HIS | 0 | 0.015 | 0.021 | 46.638 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 403 | GLY | 0 | -0.016 | -0.008 | 43.752 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 404 | GLY | 0 | -0.028 | -0.036 | 44.065 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 405 | GLY | 0 | 0.058 | 0.032 | 45.727 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 406 | LYS | 1 | 0.844 | 0.907 | 47.175 | 6.390 | 6.390 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 407 | GLN | 0 | -0.015 | -0.029 | 44.568 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 408 | ALA | 0 | 0.016 | 0.043 | 47.954 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 409 | LEU | 0 | 0.097 | 0.034 | 50.121 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 410 | GLU | -1 | -0.820 | -0.894 | 49.909 | -6.102 | -6.102 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 411 | THR | 0 | -0.085 | -0.053 | 48.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 412 | VAL | 0 | 0.043 | 0.036 | 51.657 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 413 | GLN | 0 | 0.025 | 0.013 | 54.608 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 414 | ARG | 1 | 0.847 | 0.920 | 53.001 | 5.699 | 5.699 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 415 | LEU | 0 | 0.030 | -0.004 | 51.375 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 416 | LEU | 0 | 0.003 | 0.022 | 54.657 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 417 | PRO | 0 | 0.005 | 0.002 | 57.268 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 418 | VAL | 0 | 0.058 | 0.018 | 54.954 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 419 | LEU | 0 | 0.060 | 0.013 | 53.324 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 420 | CYS | 0 | -0.004 | -0.005 | 57.244 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 421 | GLN | 0 | -0.061 | -0.007 | 60.302 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 422 | ALA | 0 | -0.002 | -0.002 | 59.179 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 423 | HIS | 0 | -0.111 | -0.076 | 54.430 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 424 | GLY | 0 | -0.058 | -0.018 | 58.546 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 425 | LEU | 0 | -0.021 | 0.017 | 54.870 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 426 | THR | 0 | 0.023 | -0.014 | 59.516 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 427 | PRO | 0 | 0.068 | 0.030 | 60.026 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 428 | ASP | -1 | -0.872 | -0.953 | 58.959 | -5.324 | -5.324 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 429 | GLN | 0 | 0.068 | 0.054 | 56.824 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 430 | VAL | 0 | 0.019 | 0.009 | 54.495 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 431 | VAL | 0 | -0.021 | -0.011 | 54.003 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 432 | ALA | 0 | 0.005 | 0.005 | 53.866 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 433 | ILE | 0 | -0.059 | -0.027 | 49.293 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 434 | ALA | 0 | -0.034 | -0.032 | 49.412 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 435 | SER | 0 | -0.074 | -0.024 | 50.001 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 436 | HIS | 0 | 0.008 | 0.011 | 45.851 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 437 | ASP | -1 | -0.831 | -0.908 | 42.022 | -7.373 | -7.373 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 438 | GLY | 0 | -0.099 | -0.043 | 42.197 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 439 | GLY | 0 | 0.103 | 0.058 | 43.136 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 440 | LYS | 1 | 0.805 | 0.903 | 44.151 | 6.691 | 6.691 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 441 | GLN | 0 | 0.009 | 0.003 | 40.530 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 442 | ALA | 0 | 0.033 | 0.056 | 44.186 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 443 | LEU | 0 | 0.049 | 0.009 | 45.971 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 444 | GLU | -1 | -0.826 | -0.942 | 45.156 | -6.799 | -6.799 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 445 | THR | 0 | -0.063 | -0.051 | 43.097 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 446 | VAL | 0 | 0.029 | 0.029 | 45.978 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 447 | GLN | 0 | 0.010 | 0.020 | 49.391 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 448 | ARG | 1 | 0.766 | 0.882 | 40.922 | 7.365 | 7.365 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 449 | LEU | 0 | -0.016 | -0.032 | 43.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 450 | LEU | 0 | 0.003 | 0.005 | 47.943 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 451 | PRO | 0 | 0.018 | -0.001 | 51.055 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 452 | VAL | 0 | 0.018 | -0.015 | 48.548 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 453 | LEU | 0 | -0.034 | 0.013 | 45.752 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 454 | CYS | 0 | -0.042 | -0.095 | 49.652 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 455 | GLN | 0 | 0.035 | -0.016 | 53.097 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 456 | ALA | 0 | -0.045 | -0.018 | 51.040 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 457 | HIS | 0 | -0.016 | -0.034 | 46.226 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 458 | GLY | 0 | -0.052 | 0.132 | 51.098 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 459 | LEU | 0 | 0.001 | -0.027 | 48.462 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 460 | THR | 0 | 0.009 | 0.002 | 52.927 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 461 | PRO | 0 | 0.062 | 0.029 | 54.018 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 462 | ASP | -1 | -0.860 | -0.935 | 54.228 | -5.573 | -5.573 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 463 | GLN | 0 | -0.025 | 0.004 | 51.469 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 464 | VAL | 0 | -0.023 | -0.001 | 49.189 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 465 | VAL | 0 | 0.020 | -0.011 | 49.760 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 466 | ALA | 0 | -0.001 | 0.004 | 50.833 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 467 | ILE | 0 | -0.078 | -0.042 | 44.882 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 468 | ALA | 0 | -0.050 | -0.023 | 45.707 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 469 | SER | 0 | -0.002 | 0.002 | 46.499 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 470 | ASN | 0 | 0.007 | 0.006 | 44.263 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 471 | GLY | 0 | 0.080 | 0.055 | 42.135 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 472 | GLY | 0 | -0.023 | -0.013 | 39.729 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 473 | GLY | 0 | 0.098 | 0.039 | 40.502 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 474 | LYS | 1 | 0.861 | 0.954 | 37.989 | 7.976 | 7.976 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 475 | GLN | 0 | -0.033 | -0.043 | 34.638 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 476 | ALA | 0 | 0.036 | 0.044 | 38.622 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 477 | LEU | 0 | 0.081 | 0.035 | 41.084 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 478 | GLU | -1 | -0.811 | -0.885 | 38.222 | -8.028 | -8.028 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 479 | THR | 0 | -0.089 | -0.073 | 36.473 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 480 | VAL | 0 | 0.006 | 0.003 | 38.603 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 481 | GLN | 0 | 0.028 | 0.021 | 40.826 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 482 | ARG | 1 | 0.830 | 0.909 | 35.570 | 8.472 | 8.472 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 483 | LEU | 0 | -0.037 | -0.032 | 35.833 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 484 | LEU | 0 | 0.023 | 0.019 | 39.959 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 485 | PRO | 0 | 0.070 | 0.025 | 42.870 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 486 | VAL | 0 | -0.002 | -0.001 | 38.042 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 487 | LEU | 0 | -0.021 | -0.011 | 38.149 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 488 | CYS | 0 | -0.044 | -0.038 | 41.477 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 489 | GLN | 0 | -0.037 | -0.005 | 43.630 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 490 | ALA | 0 | 0.016 | 0.024 | 39.286 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 491 | HIS | 1 | 0.792 | 0.887 | 37.356 | 8.063 | 8.063 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 492 | GLY | 0 | 0.031 | 0.035 | 42.501 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 493 | LEU | 0 | -0.030 | 0.002 | 42.048 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 494 | THR | 0 | 0.068 | 0.019 | 46.118 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 495 | PRO | 0 | 0.057 | 0.001 | 47.817 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 496 | ASP | -1 | -0.817 | -0.912 | 48.746 | -6.121 | -6.121 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 497 | GLN | 0 | 0.013 | 0.046 | 46.101 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 498 | VAL | 0 | 0.003 | 0.004 | 42.706 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 499 | VAL | 0 | 0.034 | 0.008 | 44.379 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 500 | ALA | 0 | -0.001 | 0.004 | 46.033 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 501 | ILE | 0 | -0.031 | -0.022 | 40.496 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 502 | ALA | 0 | -0.051 | -0.038 | 42.204 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 503 | SER | 0 | -0.097 | -0.046 | 43.283 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 504 | ASN | 0 | 0.030 | -0.005 | 43.754 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 505 | GLY | 0 | 0.084 | 0.075 | 40.085 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 506 | GLY | 0 | -0.012 | -0.007 | 38.479 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 507 | LYS | 1 | 0.816 | 0.879 | 32.095 | 9.381 | 9.381 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 508 | GLN | 0 | 0.056 | 0.009 | 30.765 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 509 | ALA | 0 | 0.056 | 0.100 | 34.125 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 510 | LEU | 0 | 0.061 | 0.034 | 36.571 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 511 | GLU | -1 | -0.798 | -0.883 | 32.390 | -9.701 | -9.701 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 512 | THR | 0 | -0.114 | -0.081 | 31.700 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 513 | VAL | 0 | 0.036 | 0.009 | 33.033 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 514 | GLN | 0 | -0.014 | 0.002 | 33.748 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 515 | ARG | 1 | 0.763 | 0.857 | 26.797 | 10.942 | 10.942 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 516 | LEU | 0 | 0.009 | -0.007 | 29.110 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 517 | LEU | 0 | 0.019 | 0.043 | 32.883 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 518 | PRO | 0 | 0.044 | 0.010 | 33.689 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 519 | VAL | 0 | -0.008 | -0.007 | 29.829 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 520 | LEU | 0 | 0.007 | 0.013 | 33.111 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 521 | CYS | 0 | -0.102 | -0.048 | 35.695 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 522 | GLN | 0 | -0.006 | -0.013 | 37.513 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 523 | ALA | 0 | 0.001 | 0.012 | 34.441 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 524 | HIS | 0 | -0.033 | -0.022 | 32.075 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 525 | GLY | 0 | 0.009 | 0.011 | 37.461 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 526 | LEU | 0 | -0.053 | -0.012 | 38.239 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 527 | THR | 0 | 0.085 | 0.029 | 41.518 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 528 | PRO | 0 | 0.019 | -0.015 | 42.133 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 529 | ASP | -1 | -0.858 | -0.928 | 43.194 | -6.751 | -6.751 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 530 | GLN | 0 | 0.048 | 0.029 | 43.297 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 531 | VAL | 0 | -0.019 | -0.010 | 38.543 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 532 | VAL | 0 | 0.033 | 0.022 | 40.904 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 533 | ALA | 0 | -0.024 | -0.003 | 42.931 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 534 | ILE | 0 | -0.002 | -0.016 | 38.209 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 535 | ALA | 0 | -0.058 | -0.034 | 39.197 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 536 | SER | 0 | -0.018 | -0.011 | 40.127 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 537 | HIS | 1 | 0.836 | 0.916 | 41.786 | 7.452 | 7.452 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 538 | ASP | -1 | -0.810 | -0.902 | 40.640 | -7.713 | -7.713 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 539 | GLY | 0 | -0.026 | -0.006 | 37.708 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 540 | GLY | 0 | 0.018 | -0.005 | 36.422 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 541 | LYS | 1 | 0.769 | 0.886 | 28.780 | 10.460 | 10.460 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 542 | GLN | 0 | 0.038 | 0.003 | 29.749 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 543 | ALA | 0 | 0.034 | 0.047 | 33.217 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 544 | LEU | 0 | 0.078 | 0.030 | 34.228 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 545 | GLU | -1 | -0.823 | -0.915 | 28.931 | -11.205 | -11.205 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 546 | THR | 0 | -0.026 | -0.027 | 31.335 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 547 | VAL | 0 | -0.009 | -0.003 | 32.401 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 548 | GLN | 0 | -0.032 | -0.014 | 29.665 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 549 | ARG | 1 | 0.903 | 0.956 | 25.782 | 11.630 | 11.630 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 550 | LEU | 0 | 0.020 | -0.003 | 30.319 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 551 | LEU | 0 | 0.057 | 0.051 | 33.055 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 552 | PRO | 0 | 0.049 | 0.031 | 32.497 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 553 | VAL | 0 | 0.001 | -0.004 | 30.692 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 554 | LEU | 0 | -0.002 | 0.004 | 33.784 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 555 | CYS | 0 | -0.093 | -0.031 | 37.286 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 556 | GLN | 0 | -0.044 | -0.041 | 33.814 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 557 | THR | 0 | -0.017 | 0.010 | 34.995 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 558 | HIS | 0 | -0.076 | -0.037 | 36.097 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 559 | GLY | 0 | 0.033 | -0.007 | 40.208 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 560 | LEU | 0 | -0.020 | 0.029 | 40.959 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 561 | THR | 0 | 0.032 | 0.003 | 42.353 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 562 | PRO | 0 | 0.122 | 0.030 | 40.754 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 563 | ALA | 0 | -0.041 | 0.000 | 42.133 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 564 | GLN | 0 | 0.051 | -0.012 | 44.751 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 565 | VAL | 0 | 0.048 | 0.038 | 38.439 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 566 | VAL | 0 | -0.042 | -0.026 | 40.111 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 567 | ALA | 0 | -0.033 | -0.012 | 42.189 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 568 | ILE | 0 | 0.024 | 0.014 | 40.997 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 569 | ALA | 0 | -0.051 | -0.035 | 39.266 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 570 | SER | 0 | -0.061 | -0.026 | 40.750 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 571 | HIS | 0 | -0.008 | -0.001 | 42.642 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 572 | ASP | -1 | -0.821 | -0.915 | 41.967 | -7.434 | -7.434 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 573 | GLY | 0 | -0.064 | -0.032 | 39.989 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 574 | GLY | 0 | 0.031 | 0.019 | 38.789 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 575 | LYS | 1 | 0.931 | 0.972 | 29.446 | 10.530 | 10.530 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 576 | GLN | 0 | -0.038 | -0.031 | 33.731 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 577 | ALA | 0 | 0.014 | 0.033 | 37.243 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 578 | LEU | 0 | 0.033 | 0.005 | 36.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 579 | GLU | -1 | -0.877 | -0.956 | 32.557 | -10.003 | -10.003 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 580 | THR | 0 | -0.044 | -0.036 | 35.511 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 581 | VAL | 0 | 0.020 | 0.008 | 38.213 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 582 | GLN | 0 | 0.000 | -0.005 | 32.844 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 583 | GLN | 0 | -0.045 | -0.018 | 33.144 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 584 | LEU | 0 | -0.009 | -0.012 | 36.884 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 585 | LEU | 0 | -0.009 | 0.020 | 40.546 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 586 | PRO | 0 | 0.070 | 0.024 | 39.375 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 587 | VAL | 0 | 0.034 | 0.012 | 39.837 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 588 | LEU | 0 | -0.053 | -0.032 | 42.887 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 589 | CYS | 0 | -0.083 | -0.046 | 45.481 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 590 | GLN | 0 | -0.017 | 0.006 | 43.447 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 591 | ALA | 0 | -0.037 | 0.002 | 46.135 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 592 | HIS | 1 | 0.837 | 0.903 | 47.947 | 6.779 | 6.779 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 593 | GLY | 0 | 0.010 | 0.001 | 50.227 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 594 | LEU | 0 | 0.010 | 0.043 | 49.149 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 595 | THR | 0 | 0.080 | 0.023 | 49.439 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 596 | PRO | 0 | 0.138 | 0.060 | 46.191 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 597 | ASP | -1 | -0.867 | -0.927 | 47.843 | -6.535 | -6.535 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 598 | GLN | 0 | -0.021 | -0.007 | 49.783 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 599 | VAL | 0 | 0.017 | -0.013 | 44.670 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 600 | VAL | 0 | 0.018 | 0.015 | 44.968 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 601 | ALA | 0 | -0.035 | -0.017 | 46.717 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 602 | ILE | 0 | -0.038 | -0.009 | 47.468 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 603 | ALA | 0 | -0.050 | -0.033 | 43.292 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 604 | SER | 0 | -0.051 | -0.030 | 44.712 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 605 | ASN | 0 | 0.024 | 0.016 | 46.731 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 606 | ILE | 0 | -0.006 | 0.003 | 45.373 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 607 | GLY | 0 | -0.001 | -0.008 | 44.456 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 608 | GLY | 0 | 0.054 | 0.033 | 43.578 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 609 | LYS | 1 | 0.980 | 0.999 | 37.749 | 8.423 | 8.423 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 610 | GLN | 0 | 0.023 | -0.008 | 41.899 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 611 | ALA | 0 | 0.047 | 0.043 | 44.688 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 612 | LEU | 0 | 0.076 | 0.035 | 42.703 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 613 | ALA | 0 | -0.054 | -0.030 | 42.496 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 614 | THR | 0 | -0.077 | -0.058 | 44.424 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 615 | VAL | 0 | 0.033 | 0.022 | 47.552 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 616 | GLN | 0 | -0.008 | -0.008 | 43.807 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 617 | ARG | 1 | 0.790 | 0.900 | 46.256 | 6.730 | 6.730 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 618 | LEU | 0 | 0.016 | -0.019 | 48.309 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 619 | LEU | 0 | -0.007 | 0.025 | 50.911 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 620 | PRO | 0 | 0.068 | 0.026 | 51.201 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 621 | VAL | 0 | -0.068 | -0.028 | 52.727 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 622 | LEU | 0 | 0.025 | -0.003 | 55.414 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 623 | CYS | 0 | -0.058 | -0.007 | 57.269 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 624 | GLN | 0 | -0.013 | -0.010 | 58.465 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 625 | ALA | 0 | -0.023 | -0.023 | 58.630 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 626 | HIS | 0 | -0.055 | -0.034 | 58.926 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 627 | GLY | 0 | 0.021 | 0.027 | 61.713 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 628 | LEU | 0 | -0.025 | 0.011 | 59.283 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 629 | THR | 0 | 0.016 | -0.015 | 60.106 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 630 | PRO | 0 | 0.049 | 0.012 | 55.341 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 631 | ASP | -1 | -0.789 | -0.890 | 56.377 | -5.581 | -5.581 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 632 | GLN | 0 | -0.020 | -0.009 | 57.830 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 633 | VAL | 0 | 0.074 | 0.025 | 54.154 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 634 | VAL | 0 | 0.093 | 0.045 | 52.473 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 635 | ALA | 0 | -0.033 | 0.005 | 54.003 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 636 | ILE | 0 | -0.117 | -0.021 | 55.015 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 637 | ALA | 0 | -0.063 | -0.042 | 50.262 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 638 | SER | 0 | -0.066 | -0.053 | 51.545 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 639 | ASN | 0 | 0.018 | 0.036 | 52.448 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 640 | GLY | 0 | 0.022 | 0.001 | 52.043 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 641 | GLY | 0 | 0.001 | 0.010 | 51.790 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 642 | GLY | 0 | 0.033 | 0.017 | 50.388 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 643 | LYS | 1 | 0.922 | 0.978 | 46.071 | 6.972 | 6.972 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 644 | GLN | 0 | 0.019 | -0.034 | 50.272 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 645 | ALA | 0 | 0.001 | 0.022 | 52.783 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 646 | LEU | 0 | 0.073 | 0.035 | 50.981 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 647 | GLU | -1 | -0.845 | -0.926 | 50.048 | -6.495 | -6.495 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 648 | THR | 0 | -0.056 | -0.045 | 54.481 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 649 | VAL | 0 | 0.091 | 0.079 | 57.406 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 650 | GLN | 0 | 0.022 | 0.013 | 54.850 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 651 | ARG | 1 | 0.820 | 0.877 | 57.478 | 5.638 | 5.638 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 652 | LEU | 0 | -0.056 | -0.048 | 59.292 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 653 | LEU | 0 | 0.021 | 0.024 | 60.758 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 654 | PRO | 0 | 0.030 | 0.026 | 62.313 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 655 | VAL | 0 | 0.003 | -0.004 | 64.566 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 656 | LEU | 0 | -0.021 | -0.014 | 65.279 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 657 | CYS | 0 | -0.055 | -0.018 | 67.503 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 658 | GLN | 0 | -0.029 | 0.001 | 68.875 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 659 | ALA | 0 | 0.002 | -0.013 | 72.154 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 660 | HIS | 0 | -0.015 | -0.015 | 70.551 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 661 | GLY | 0 | -0.029 | -0.004 | 73.488 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 662 | LEU | 0 | -0.057 | -0.050 | 68.474 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 663 | THR | 0 | 0.071 | 0.040 | 69.502 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 664 | PRO | 0 | 0.110 | 0.039 | 65.657 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 665 | ASP | -1 | -0.876 | -0.902 | 66.025 | -4.796 | -4.796 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 666 | GLN | 0 | -0.039 | -0.056 | 66.516 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 667 | VAL | 0 | 0.013 | 0.006 | 62.814 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 668 | VAL | 0 | -0.023 | -0.011 | 60.617 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 669 | ALA | 0 | 0.004 | 0.021 | 61.608 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 670 | ILE | 0 | 0.001 | -0.001 | 62.576 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 671 | ALA | 0 | -0.109 | -0.047 | 58.542 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 672 | SER | 0 | -0.003 | -0.033 | 57.880 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 673 | ASN | 0 | -0.022 | -0.002 | 58.680 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 674 | GLY | 0 | 0.109 | 0.052 | 55.715 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 675 | GLY | 0 | -0.043 | -0.011 | 56.370 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 676 | GLY | 0 | 0.008 | -0.020 | 57.538 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 677 | LYS | 1 | 0.847 | 0.914 | 55.046 | 5.843 | 5.843 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 678 | GLN | 0 | -0.008 | -0.027 | 57.541 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 679 | ALA | 0 | 0.016 | 0.033 | 60.171 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 680 | LEU | 0 | 0.083 | 0.033 | 59.601 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 681 | GLU | -1 | -0.766 | -0.845 | 59.186 | -5.502 | -5.502 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 682 | THR | 0 | -0.035 | -0.038 | 63.462 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 683 | VAL | 0 | 0.032 | 0.024 | 65.930 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 684 | GLN | 0 | 0.005 | 0.003 | 65.145 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 685 | ARG | 1 | 0.755 | 0.849 | 64.519 | 5.007 | 5.007 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 686 | LEU | 0 | -0.029 | -0.030 | 69.294 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 687 | LEU | 0 | 0.044 | 0.052 | 70.902 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 688 | PRO | 0 | 0.084 | 0.038 | 73.294 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 689 | VAL | 0 | -0.057 | -0.015 | 74.433 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 690 | LEU | 0 | 0.006 | 0.010 | 73.452 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 691 | CYS | 0 | -0.046 | -0.017 | 77.492 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 692 | GLN | 0 | -0.032 | -0.028 | 79.506 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 693 | ALA | 0 | -0.033 | -0.013 | 80.076 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 694 | HIS | 1 | 0.854 | 0.915 | 78.115 | 4.165 | 4.165 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 695 | GLY | 0 | 0.033 | 0.046 | 81.863 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 696 | LEU | 0 | -0.020 | 0.001 | 76.767 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 697 | THR | 0 | 0.000 | -0.029 | 78.672 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 698 | GLN | 0 | 0.131 | 0.058 | 74.870 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 699 | VAL | 0 | 0.016 | 0.007 | 74.379 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 700 | GLN | 0 | 0.034 | 0.018 | 74.031 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 701 | VAL | 0 | 0.043 | 0.021 | 71.173 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 702 | VAL | 0 | 0.038 | 0.039 | 68.494 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 703 | ALA | 0 | 0.000 | 0.022 | 68.840 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 704 | ILE | 0 | -0.050 | 0.004 | 68.860 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 705 | ALA | 0 | -0.095 | -0.053 | 66.043 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 706 | SER | 0 | 0.006 | -0.026 | 64.627 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 707 | ASN | 0 | 0.040 | 0.036 | 63.884 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 708 | ILE | 0 | 0.009 | 0.009 | 57.722 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 709 | GLY | 0 | -0.076 | -0.050 | 61.059 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 710 | GLY | 0 | 0.077 | 0.039 | 62.224 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 711 | LYS | 1 | 0.861 | 0.935 | 62.349 | 5.106 | 5.106 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 712 | GLN | 0 | -0.027 | -0.029 | 62.392 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 713 | ALA | 0 | 0.047 | 0.029 | 65.298 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 714 | LEU | 0 | 0.091 | 0.047 | 67.188 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 715 | GLU | -1 | -0.735 | -0.837 | 67.309 | -4.767 | -4.767 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 716 | THR | 0 | -0.049 | -0.029 | 68.517 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 717 | VAL | 0 | 0.020 | 0.017 | 71.257 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 718 | GLN | 0 | -0.013 | -0.024 | 72.983 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 719 | ARG | 1 | 0.873 | 0.927 | 70.872 | 4.602 | 4.602 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 720 | LEU | 0 | 0.001 | -0.012 | 73.804 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 721 | LEU | 0 | 0.049 | 0.059 | 77.143 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 722 | PRO | 0 | -0.044 | -0.034 | 79.334 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 723 | VAL | 0 | 0.003 | -0.003 | 79.554 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 724 | LEU | 0 | -0.002 | 0.008 | 78.217 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 725 | CYS | 0 | -0.046 | -0.017 | 82.671 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 726 | GLN | 0 | -0.060 | -0.019 | 85.167 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 727 | ALA | 0 | 0.012 | 0.004 | 85.668 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 728 | HIS | 0 | -0.074 | -0.036 | 82.079 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 729 | GLY | 0 | 0.072 | 0.028 | 85.363 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 730 | LEU | 0 | -0.038 | -0.006 | 80.131 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 731 | THR | 0 | 0.039 | 0.009 | 83.756 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 732 | PRO | 0 | 0.124 | 0.039 | 81.188 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 733 | ALA | 0 | -0.021 | 0.005 | 80.026 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 734 | GLN | 0 | 0.072 | 0.043 | 78.926 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 735 | VAL | 0 | 0.025 | 0.016 | 76.465 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 736 | VAL | 0 | 0.023 | -0.007 | 74.570 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 737 | ALA | 0 | -0.010 | 0.002 | 74.257 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 738 | ILE | 0 | 0.005 | 0.002 | 74.139 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 739 | ALA | 0 | -0.097 | -0.061 | 71.916 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 740 | SER | 0 | -0.054 | -0.043 | 69.962 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 741 | HIS | 1 | 0.839 | 0.935 | 67.516 | 4.608 | 4.608 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 742 | ASP | -1 | -0.802 | -0.898 | 61.745 | -5.254 | -5.254 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 743 | GLY | 0 | -0.028 | -0.022 | 63.819 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 744 | GLY | 0 | 0.029 | 0.029 | 65.158 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 745 | LYS | 1 | 0.821 | 0.891 | 66.346 | 4.900 | 4.900 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 746 | GLN | 0 | 0.038 | 0.005 | 64.938 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 747 | ALA | 0 | 0.046 | 0.042 | 68.593 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 748 | LEU | 0 | 0.060 | 0.034 | 71.438 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 749 | GLU | -1 | -0.769 | -0.859 | 69.359 | -4.643 | -4.643 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 750 | THR | 0 | -0.111 | -0.058 | 71.304 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 751 | VAL | 0 | 0.072 | 0.052 | 73.836 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 752 | GLN | 0 | 0.022 | -0.008 | 75.350 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 753 | ARG | 1 | 0.764 | 0.871 | 71.036 | 4.538 | 4.538 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 754 | LEU | 0 | 0.015 | -0.023 | 75.136 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 755 | LEU | 0 | 0.002 | 0.033 | 78.512 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 756 | PRO | 0 | 0.029 | 0.001 | 80.870 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 757 | VAL | 0 | 0.103 | 0.048 | 81.235 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 758 | LEU | 0 | 0.013 | 0.008 | 78.702 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 759 | CYS | 0 | -0.057 | -0.028 | 83.248 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 760 | GLN | 0 | -0.084 | -0.049 | 86.413 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 761 | ALA | 0 | -0.023 | 0.002 | 84.979 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 762 | HIS | 0 | -0.063 | -0.048 | 81.237 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 763 | GLY | 0 | 0.002 | 0.034 | 85.592 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 764 | LEU | 0 | 0.012 | 0.029 | 81.515 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 765 | THR | 0 | 0.056 | -0.004 | 85.580 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 766 | PRO | 0 | 0.057 | 0.015 | 84.413 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 767 | ASP | -1 | -0.857 | -0.922 | 83.228 | -3.854 | -3.854 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 768 | GLN | 0 | -0.032 | -0.020 | 82.759 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 769 | VAL | 0 | -0.013 | -0.014 | 79.582 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 770 | VAL | 0 | -0.060 | -0.015 | 78.696 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 771 | ALA | 0 | 0.025 | 0.007 | 78.042 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 772 | ILE | 0 | -0.057 | -0.006 | 75.092 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 773 | ALA | 0 | -0.015 | -0.034 | 73.547 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 774 | SER | 0 | -0.016 | 0.004 | 73.002 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 775 | ASN | 0 | -0.033 | -0.016 | 70.310 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 776 | GLY | 0 | 0.039 | 0.001 | 66.327 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 777 | GLY | 0 | -0.011 | 0.011 | 66.411 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 778 | GLY | 0 | 0.053 | 0.016 | 67.236 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 779 | LYS | 1 | 0.820 | 0.907 | 67.289 | 4.715 | 4.715 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 780 | GLN | 0 | 0.038 | 0.020 | 65.471 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 781 | ALA | 0 | 0.068 | 0.060 | 69.153 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 782 | LEU | 0 | 0.053 | 0.018 | 71.918 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 783 | GLU | -1 | -0.824 | -0.907 | 70.019 | -4.580 | -4.580 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 784 | THR | 0 | -0.116 | -0.077 | 70.818 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 785 | VAL | 0 | 0.039 | 0.034 | 73.287 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 786 | GLN | 0 | 0.000 | -0.004 | 76.414 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 787 | ARG | 1 | 0.770 | 0.852 | 70.105 | 4.585 | 4.585 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 788 | LEU | 0 | 0.002 | -0.012 | 73.431 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 789 | LEU | 0 | 0.003 | 0.035 | 76.953 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 790 | PRO | 0 | 0.004 | 0.009 | 80.218 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 791 | VAL | 0 | 0.014 | 0.006 | 79.787 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 792 | LEU | 0 | -0.022 | -0.017 | 73.753 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 793 | CYS | 0 | -0.048 | -0.025 | 75.165 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 794 | GLN | 0 | 0.017 | 0.021 | 76.397 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 795 | ALA | 0 | -0.011 | -0.017 | 78.459 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 796 | HIS | 0 | -0.011 | 0.011 | 78.781 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 797 | GLY | 0 | -0.007 | -0.004 | 82.561 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 798 | LEU | 0 | 0.001 | -0.011 | 80.263 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 799 | THR | 0 | 0.002 | -0.024 | 84.472 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 800 | GLN | 0 | 0.040 | 0.003 | 83.796 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 801 | GLU | -1 | -0.818 | -0.899 | 83.519 | -3.777 | -3.777 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 802 | GLN | 0 | 0.014 | 0.008 | 82.548 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 803 | VAL | 0 | 0.000 | 0.013 | 78.785 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 804 | VAL | 0 | 0.029 | 0.007 | 78.711 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 805 | ALA | 0 | -0.018 | 0.017 | 78.196 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 806 | ILE | 0 | -0.013 | 0.003 | 74.616 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 807 | ALA | 0 | -0.029 | -0.009 | 73.819 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 808 | SER | 0 | -0.002 | -0.034 | 73.636 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 809 | ASN | 0 | -0.055 | -0.021 | 71.171 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 810 | ASN | 0 | 0.048 | 0.008 | 65.405 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 811 | GLY | 0 | -0.030 | -0.006 | 67.448 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 812 | GLY | 0 | 0.034 | 0.012 | 68.419 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 813 | LYS | 1 | 0.919 | 0.962 | 66.458 | 4.870 | 4.870 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 814 | GLN | 0 | -0.034 | -0.025 | 63.386 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 815 | ALA | 0 | 0.042 | 0.046 | 67.617 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 816 | LEU | 0 | 0.103 | 0.046 | 70.720 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 817 | GLU | -1 | -0.837 | -0.898 | 68.472 | -4.633 | -4.633 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 818 | THR | 0 | -0.037 | -0.046 | 68.129 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 819 | VAL | 0 | 0.021 | 0.017 | 70.160 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 820 | GLN | 0 | -0.005 | 0.008 | 71.456 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 821 | ARG | 1 | 0.819 | 0.902 | 66.320 | 4.828 | 4.828 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 822 | LEU | 0 | -0.011 | -0.019 | 68.982 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 823 | LEU | 0 | 0.002 | 0.006 | 73.273 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 824 | PRO | 0 | 0.026 | 0.003 | 75.640 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 825 | VAL | 0 | 0.002 | -0.002 | 72.141 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 826 | LEU | 0 | -0.016 | -0.002 | 72.835 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 827 | CYS | 0 | -0.110 | -0.037 | 76.328 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 828 | GLN | 0 | -0.030 | -0.027 | 78.121 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 829 | ALA | 0 | 0.044 | 0.056 | 75.808 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 830 | HIS | 0 | -0.077 | -0.056 | 75.684 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 831 | GLY | 0 | -0.031 | -0.062 | 78.292 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 832 | LEU | 0 | 0.021 | 0.018 | 76.347 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 833 | THR | 0 | 0.034 | 0.001 | 80.535 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 834 | PRO | 0 | 0.028 | 0.014 | 81.655 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 835 | ASP | -1 | -0.826 | -0.910 | 81.576 | -3.846 | -3.846 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 836 | GLN | 0 | 0.003 | -0.002 | 79.841 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 837 | VAL | 0 | 0.044 | 0.020 | 75.499 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 838 | VAL | 0 | 0.050 | 0.023 | 76.567 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 839 | ALA | 0 | 0.010 | 0.014 | 77.476 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 840 | ILE | 0 | -0.058 | -0.037 | 72.664 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 841 | ALA | 0 | -0.036 | -0.027 | 72.982 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 842 | SER | 0 | -0.036 | 0.004 | 73.681 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 843 | ASN | 0 | -0.007 | -0.007 | 71.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 844 | GLY | 0 | 0.040 | 0.008 | 68.667 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 845 | GLY | 0 | -0.060 | -0.013 | 66.210 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 846 | GLY | 0 | 0.070 | 0.021 | 67.087 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 847 | LYS | 1 | 0.920 | 0.975 | 62.305 | 5.156 | 5.156 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 848 | GLN | 0 | -0.001 | -0.020 | 62.511 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 849 | ALA | 0 | -0.006 | 0.026 | 65.368 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 850 | LEU | 0 | 0.106 | 0.042 | 68.518 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 851 | GLU | -1 | -0.816 | -0.891 | 64.556 | -4.975 | -4.975 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 852 | THR | 0 | -0.082 | -0.059 | 64.994 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 853 | VAL | 0 | -0.004 | -0.004 | 66.836 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 854 | GLN | 0 | -0.040 | -0.029 | 67.931 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 855 | ARG | 1 | 0.960 | 0.977 | 62.363 | 5.171 | 5.171 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 856 | LEU | 0 | -0.059 | -0.035 | 64.302 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 857 | LEU | 0 | 0.004 | 0.026 | 68.379 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 858 | PRO | 0 | -0.008 | -0.008 | 71.267 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 859 | VAL | 0 | 0.031 | 0.029 | 66.466 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 860 | LEU | 0 | 0.093 | 0.028 | 69.042 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 861 | CYS | 0 | -0.099 | -0.003 | 70.994 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 862 | GLN | 0 | 0.058 | 0.000 | 71.923 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 863 | ALA | 0 | -0.059 | -0.012 | 70.059 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 864 | HIS | 1 | 0.805 | 0.877 | 72.027 | 4.456 | 4.456 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 865 | GLY | 0 | 0.061 | 0.018 | 74.929 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 866 | LEU | 0 | -0.091 | -0.021 | 73.824 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 867 | THR | 0 | 0.117 | 0.071 | 77.512 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 868 | PRO | 0 | 0.045 | 0.038 | 77.657 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 869 | ALA | 0 | 0.023 | 0.007 | 78.111 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 870 | GLN | 0 | 0.048 | 0.012 | 77.627 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 871 | VAL | 0 | 0.029 | 0.023 | 72.902 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 872 | VAL | 0 | -0.014 | -0.027 | 74.619 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 873 | ALA | 0 | 0.024 | 0.023 | 76.214 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 874 | ILE | 0 | -0.046 | -0.029 | 70.808 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 875 | ALA | 0 | -0.019 | -0.015 | 71.471 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 876 | SER | 0 | -0.054 | 0.004 | 72.433 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 877 | ASN | 0 | -0.010 | -0.004 | 72.214 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 878 | ILE | 0 | 0.020 | 0.003 | 68.038 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 879 | GLY | 0 | -0.034 | -0.015 | 66.059 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 880 | GLY | 0 | 0.109 | 0.051 | 66.782 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 881 | LYS | 1 | 0.843 | 0.915 | 59.175 | 5.362 | 5.362 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 882 | GLN | 0 | 0.027 | 0.006 | 59.560 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 883 | ALA | 0 | 0.040 | 0.047 | 63.949 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 884 | LEU | 0 | 0.008 | 0.003 | 67.233 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 885 | GLU | -1 | -0.810 | -0.884 | 60.334 | -5.412 | -5.412 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 886 | THR | 0 | -0.053 | -0.042 | 63.089 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 887 | VAL | 0 | 0.026 | 0.015 | 64.280 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 888 | GLN | 0 | -0.040 | -0.029 | 62.953 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 889 | ARG | 1 | 0.823 | 0.887 | 58.021 | 5.474 | 5.474 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 890 | LEU | 0 | -0.002 | -0.004 | 62.118 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 891 | LEU | 0 | -0.010 | 0.006 | 64.970 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 892 | PRO | 0 | -0.013 | -0.008 | 65.890 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 893 | VAL | 0 | 0.030 | 0.005 | 63.232 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 894 | LEU | 0 | 0.003 | 0.019 | 66.637 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 895 | CYS | 0 | -0.029 | -0.032 | 69.482 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 896 | GLN | 0 | -0.087 | -0.031 | 68.731 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 897 | ASP | -1 | -0.934 | -0.955 | 67.142 | -4.817 | -4.817 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 898 | HIS | 0 | 0.020 | -0.007 | 66.255 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 899 | GLY | 0 | 0.004 | 0.030 | 71.464 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 900 | LEU | 0 | -0.008 | -0.001 | 71.507 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 901 | THR | 0 | 0.024 | -0.009 | 74.754 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 902 | LEU | 0 | 0.061 | 0.026 | 75.420 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 903 | ALA | 0 | -0.012 | -0.025 | 76.388 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 904 | GLN | 0 | 0.070 | 0.070 | 76.223 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 905 | VAL | 0 | 0.053 | 0.018 | 71.107 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 906 | VAL | 0 | -0.057 | -0.042 | 73.134 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 907 | ALA | 0 | 0.046 | 0.049 | 75.408 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 908 | ILE | 0 | -0.039 | -0.016 | 70.654 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 909 | ALA | 0 | -0.055 | -0.041 | 70.672 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 910 | SER | 0 | -0.062 | -0.042 | 71.499 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 911 | ASN | 0 | 0.041 | 0.047 | 73.010 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 912 | ILE | 0 | 0.025 | -0.002 | 69.723 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 913 | GLY | 0 | 0.015 | 0.003 | 67.273 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 914 | GLY | 0 | 0.076 | 0.046 | 67.727 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 915 | LYS | 1 | 0.851 | 0.925 | 58.774 | 5.440 | 5.440 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 916 | GLN | 0 | 0.012 | -0.007 | 60.656 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 917 | ALA | 0 | 0.046 | 0.028 | 64.612 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 918 | LEU | 0 | 0.098 | 0.029 | 66.105 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 919 | GLU | -1 | -0.854 | -0.897 | 59.302 | -5.541 | -5.541 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 920 | THR | 0 | -0.025 | -0.020 | 62.360 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 921 | VAL | 0 | 0.005 | 0.019 | 64.423 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 922 | GLN | 0 | 0.008 | -0.005 | 61.260 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 923 | ARG | 1 | 0.783 | 0.870 | 56.780 | 5.535 | 5.535 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 924 | LEU | 0 | 0.004 | -0.004 | 62.592 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 925 | LEU | 0 | -0.005 | 0.017 | 65.466 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 926 | PRO | 0 | 0.019 | 0.018 | 65.637 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 927 | VAL | 0 | 0.017 | -0.014 | 63.856 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 928 | LEU | 0 | -0.015 | 0.003 | 67.173 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 929 | CYS | 0 | 0.016 | 0.010 | 70.485 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 930 | GLN | 0 | -0.021 | -0.013 | 67.343 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 931 | ALA | 0 | -0.008 | -0.001 | 68.376 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 932 | HIS | 1 | 0.807 | 0.894 | 68.712 | 4.607 | 4.607 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 933 | GLY | 0 | 0.065 | 0.059 | 73.367 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 934 | LEU | 0 | -0.006 | 0.019 | 73.063 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 935 | THR | 0 | 0.025 | -0.017 | 75.808 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 936 | GLN | 0 | 0.025 | -0.019 | 74.285 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 937 | ASP | -1 | -0.860 | -0.936 | 75.831 | -4.143 | -4.143 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 938 | GLN | 0 | 0.023 | 0.035 | 77.711 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 939 | VAL | 0 | -0.001 | 0.006 | 71.305 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 940 | VAL | 0 | 0.011 | -0.008 | 74.119 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 941 | ALA | 0 | 0.004 | 0.015 | 75.092 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 942 | ILE | 0 | 0.000 | 0.017 | 72.881 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 943 | ALA | 0 | -0.052 | -0.037 | 71.424 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 944 | SER | 0 | -0.110 | -0.053 | 73.015 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 945 | ASN | 0 | 0.036 | 0.005 | 74.561 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 946 | ILE | 0 | 0.016 | 0.004 | 72.286 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 947 | GLY | 0 | -0.048 | -0.020 | 69.661 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 948 | GLY | 0 | 0.092 | 0.061 | 70.693 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 949 | LYS | 1 | 0.776 | 0.880 | 61.347 | 5.213 | 5.213 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 950 | GLN | 0 | -0.027 | -0.024 | 64.155 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 951 | ALA | 0 | 0.051 | 0.029 | 67.754 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 952 | LEU | 0 | 0.024 | 0.009 | 68.336 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 953 | GLU | -1 | -0.829 | -0.911 | 63.490 | -5.164 | -5.164 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 954 | THR | 0 | -0.043 | -0.033 | 66.843 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 955 | VAL | 0 | 0.068 | 0.062 | 68.866 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 956 | GLN | 0 | -0.068 | -0.051 | 64.963 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 957 | ARG | 1 | 0.807 | 0.893 | 64.239 | 4.909 | 4.909 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 958 | LEU | 0 | -0.042 | -0.021 | 67.137 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 959 | LEU | 0 | 0.044 | 0.024 | 70.146 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 960 | PRO | 0 | 0.006 | -0.001 | 69.327 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 961 | VAL | 0 | -0.017 | -0.015 | 70.474 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 962 | LEU | 0 | 0.053 | 0.037 | 73.206 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 963 | CYS | 0 | -0.062 | -0.014 | 75.920 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 964 | GLN | 0 | -0.080 | -0.084 | 73.232 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 965 | ASP | -1 | -0.946 | -0.954 | 75.713 | -4.253 | -4.253 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 966 | HIS | 0 | 0.027 | 0.025 | 77.758 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 967 | GLY | 0 | -0.033 | -0.026 | 80.477 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 968 | LEU | 0 | 0.021 | 0.014 | 79.880 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 969 | THR | 0 | 0.022 | -0.006 | 80.034 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 970 | PRO | 0 | 0.050 | -0.003 | 77.762 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 971 | ASP | -1 | -0.857 | -0.917 | 78.962 | -4.022 | -4.022 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 972 | GLN | 0 | 0.054 | 0.052 | 81.669 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 973 | VAL | 0 | 0.022 | 0.006 | 75.851 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 974 | VAL | 0 | -0.020 | -0.015 | 76.926 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 975 | ALA | 0 | -0.010 | -0.007 | 78.395 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 976 | ILE | 0 | -0.040 | -0.002 | 77.821 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 977 | ALA | 0 | -0.074 | -0.047 | 74.744 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 978 | SER | 0 | 0.012 | 0.002 | 75.724 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 979 | ASN | 0 | -0.013 | 0.020 | 78.108 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 980 | ILE | 0 | 0.050 | 0.017 | 76.270 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 981 | GLY | 0 | -0.049 | -0.022 | 75.529 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 982 | GLY | 0 | 0.067 | 0.035 | 74.053 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 983 | LYS | 1 | 0.831 | 0.918 | 66.055 | 4.911 | 4.911 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 984 | GLN | 0 | -0.037 | -0.021 | 69.970 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 985 | ALA | 0 | 0.006 | 0.010 | 73.309 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 986 | LEU | 0 | 0.055 | 0.035 | 73.006 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 987 | GLU | -1 | -0.817 | -0.915 | 68.568 | -4.766 | -4.766 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 988 | THR | 0 | -0.061 | -0.042 | 72.892 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 989 | VAL | 0 | 0.046 | 0.020 | 75.621 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 990 | GLN | 0 | 0.023 | 0.029 | 73.684 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 991 | ARG | 1 | 0.777 | 0.874 | 72.520 | 4.441 | 4.441 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 992 | LEU | 0 | -0.002 | -0.009 | 75.456 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 993 | LEU | 0 | 0.003 | 0.036 | 78.947 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 994 | PRO | 0 | -0.010 | -0.014 | 77.481 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 995 | VAL | 0 | 0.041 | 0.019 | 79.935 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 996 | LEU | 0 | -0.010 | 0.000 | 82.656 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 997 | CYS | 0 | -0.064 | -0.027 | 84.086 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 998 | GLN | 0 | -0.060 | -0.034 | 83.665 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 999 | ASP | -1 | -0.885 | -0.943 | 83.182 | -3.885 | -3.885 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 1000 | HIS | 0 | -0.080 | -0.051 | 86.529 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 1001 | GLY | 0 | -0.006 | 0.030 | 88.525 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 1002 | LEU | 0 | -0.064 | -0.020 | 87.138 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 1003 | THR | 0 | 0.026 | -0.019 | 88.965 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 1004 | LEU | 0 | 0.060 | 0.014 | 83.385 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 1005 | ASP | -1 | -0.855 | -0.946 | 85.809 | -3.752 | -3.752 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 1006 | GLN | 0 | 0.013 | 0.018 | 88.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 1007 | VAL | 0 | 0.033 | 0.018 | 82.870 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | A | 1008 | VAL | 0 | 0.035 | 0.047 | 82.891 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | A | 1009 | ALA | 0 | 0.020 | 0.008 | 84.397 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | A | 1010 | ILE | 0 | 0.014 | 0.010 | 84.309 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | A | 1011 | ALA | 0 | -0.076 | -0.048 | 80.384 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | A | 1012 | SER | 0 | -0.026 | -0.042 | 81.100 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | A | 1013 | ASN | 0 | -0.034 | 0.019 | 83.306 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | A | 1014 | GLY | 0 | 0.044 | -0.003 | 83.985 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | A | 1015 | GLY | 0 | -0.044 | -0.023 | 80.277 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | A | 1016 | LYS | 1 | 0.957 | 0.958 | 74.493 | 4.336 | 4.336 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | A | 1017 | GLN | 0 | 0.034 | 0.029 | 78.733 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | A | 1018 | ALA | 0 | 0.055 | 0.051 | 80.567 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | A | 1019 | LEU | 0 | 0.006 | 0.006 | 79.727 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | A | 1020 | GLU | -1 | -0.792 | -0.880 | 76.964 | -4.220 | -4.220 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | A | 1021 | THR | 0 | -0.057 | -0.064 | 81.659 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | A | 1022 | VAL | 0 | 0.046 | 0.043 | 84.319 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | A | 1023 | GLN | 0 | 0.030 | -0.007 | 80.850 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | A | 1024 | ARG | 1 | 0.802 | 0.899 | 77.458 | 4.145 | 4.145 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | A | 1025 | LEU | 0 | -0.016 | -0.003 | 85.484 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | A | 1026 | LEU | 0 | 0.001 | -0.007 | 88.918 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | A | 1027 | PRO | 0 | -0.026 | -0.007 | 88.786 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | A | 1028 | VAL | 0 | 0.017 | -0.002 | 90.602 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | A | 1029 | LEU | 0 | 0.028 | 0.020 | 93.358 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | A | 1030 | CYS | 0 | -0.041 | -0.011 | 94.973 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | A | 1031 | GLN | 0 | -0.099 | -0.052 | 94.510 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | A | 1032 | ASP | -1 | -0.915 | -0.931 | 97.381 | -3.325 | -3.325 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | A | 1033 | HIS | 0 | -0.070 | -0.053 | 99.221 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | A | 1034 | GLY | 0 | -0.017 | -0.008 | 102.512 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | A | 1035 | LEU | 0 | 0.027 | 0.019 | 98.235 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | A | 1036 | THR | 0 | -0.013 | -0.028 | 99.030 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | A | 1037 | PRO | 0 | 0.005 | -0.002 | 94.555 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | A | 1038 | ASP | -1 | -0.867 | -0.907 | 95.402 | -3.323 | -3.323 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | A | 1039 | GLN | 0 | -0.040 | -0.034 | 97.350 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | A | 1040 | VAL | 0 | -0.076 | -0.029 | 91.996 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | A | 1041 | VAL | 0 | -0.008 | 0.017 | 90.828 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | A | 1042 | ALA | 0 | -0.025 | -0.034 | 89.718 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | A | 1043 | ILE | 0 | 0.017 | -0.005 | 90.196 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | A | 1044 | DAL | 0 | -0.036 | -0.015 | 92.625 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | A | 1045 | SER | 0 | 0.057 | 0.015 | 95.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | A | 1046 | ASN | 0 | -0.066 | 0.017 | 97.488 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | A | 1047 | SER | 0 | 0.053 | 0.021 | 97.715 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | A | 1048 | GLY | 0 | 0.012 | 0.001 | 100.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |