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1AKI_processed.gro
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1963 lines (1963 loc) · 86.2 KB
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LYSOZYME
1960
1LYS N 1 3.536 2.234 -1.198
1LYS H1 2 3.612 2.288 -1.236
1LYS H2 3 3.470 2.214 -1.270
1LYS H3 4 3.492 2.286 -1.125
1LYS CA 5 3.589 2.107 -1.143
1LYS HA 6 3.633 2.055 -1.216
1LYS CB 7 3.687 2.144 -1.031
1LYS HB1 8 3.763 2.195 -1.070
1LYS HB2 9 3.639 2.201 -0.964
1LYS CG 10 3.745 2.025 -0.956
1LYS HG1 11 3.676 1.989 -0.894
1LYS HG2 12 3.770 1.954 -1.023
1LYS CD 13 3.869 2.065 -0.877
1LYS HD1 14 3.945 2.083 -0.940
1LYS HD2 15 3.849 2.147 -0.824
1LYS CE 16 3.906 1.951 -0.784
1LYS HE1 17 3.841 1.946 -0.708
1LYS HE2 18 3.906 1.864 -0.833
1LYS NZ 19 4.042 1.977 -0.730
1LYS HZ1 20 4.069 1.903 -0.668
1LYS HZ2 21 4.108 1.982 -0.806
1LYS HZ3 22 4.042 2.064 -0.680
1LYS C 23 3.474 2.026 -1.084
1LYS O 24 3.395 2.081 -1.008
2VAL N 25 3.474 1.896 -1.104
2VAL H 26 3.536 1.860 -1.174
2VAL CA 27 3.390 1.800 -1.033
2VAL HA 28 3.317 1.852 -0.990
2VAL CB 29 3.314 1.703 -1.123
2VAL HB 30 3.386 1.652 -1.170
2VAL CG1 31 3.225 1.608 -1.043
2VAL HG11 32 3.177 1.547 -1.106
2VAL HG12 33 3.282 1.555 -0.981
2VAL HG13 34 3.158 1.661 -0.991
2VAL CG2 35 3.229 1.771 -1.229
2VAL HG21 36 3.183 1.702 -1.284
2VAL HG22 37 3.162 1.830 -1.185
2VAL HG23 38 3.288 1.827 -1.288
2VAL C 39 3.480 1.731 -0.929
2VAL O 40 3.576 1.661 -0.966
3PHE N 41 3.449 1.755 -0.804
3PHE H 42 3.375 1.819 -0.784
3PHE CA 43 3.519 1.690 -0.692
3PHE HA 44 3.615 1.697 -0.717
3PHE CB 45 3.497 1.763 -0.559
3PHE HB1 46 3.405 1.802 -0.558
3PHE HB2 47 3.506 1.698 -0.484
3PHE CG 48 3.594 1.874 -0.538
3PHE CD1 49 3.567 2.005 -0.580
3PHE HD1 50 3.481 2.025 -0.627
3PHE CD2 51 3.700 1.856 -0.447
3PHE HD2 52 3.713 1.766 -0.405
3PHE CE1 53 3.658 2.108 -0.557
3PHE HE1 54 3.648 2.195 -0.604
3PHE CE2 55 3.787 1.959 -0.416
3PHE HE2 56 3.866 1.942 -0.357
3PHE CZ 57 3.764 2.087 -0.467
3PHE HZ 58 3.822 2.164 -0.439
3PHE C 59 3.474 1.544 -0.677
3PHE O 60 3.352 1.516 -0.686
4GLY N 61 3.572 1.464 -0.633
4GLY H 62 3.667 1.495 -0.632
4GLY CA 63 3.537 1.328 -0.587
4GLY HA1 64 3.462 1.292 -0.643
4GLY HA2 65 3.616 1.268 -0.594
4GLY C 66 3.492 1.342 -0.442
4GLY O 67 3.530 1.440 -0.378
5ARG N 68 3.405 1.254 -0.397
5ARG H 69 3.371 1.184 -0.460
5ARG CA 70 3.356 1.254 -0.259
5ARG HA 71 3.298 1.334 -0.252
5ARG CB 72 3.276 1.126 -0.233
5ARG HB1 73 3.200 1.122 -0.297
5ARG HB2 74 3.336 1.047 -0.247
5ARG CG 75 3.221 1.120 -0.092
5ARG HG1 76 3.297 1.117 -0.027
5ARG HG2 77 3.165 1.201 -0.075
5ARG CD 78 3.138 1.000 -0.072
5ARG HD1 79 3.104 0.999 0.022
5ARG HD2 80 3.060 1.005 -0.135
5ARG NE 81 3.206 0.875 -0.096
5ARG HE 82 3.202 0.840 -0.189
5ARG CZ 83 3.273 0.801 -0.010
5ARG NH1 84 3.284 0.833 0.119
5ARG HH11 85 3.239 0.916 0.153
5ARG HH12 86 3.336 0.775 0.181
5ARG NH2 87 3.325 0.684 -0.053
5ARG HH21 88 3.311 0.655 -0.147
5ARG HH22 89 3.376 0.626 0.010
5ARG C 90 3.467 1.273 -0.156
5ARG O 91 3.467 1.365 -0.070
6CYS N 92 3.567 1.185 -0.161
6CYS H 93 3.567 1.116 -0.233
6CYS CA 94 3.678 1.187 -0.065
6CYS HA 95 3.631 1.202 0.022
6CYS CB 96 3.749 1.053 -0.062
6CYS HB1 97 3.770 1.034 -0.158
6CYS HB2 98 3.834 1.072 -0.013
6CYS SG 99 3.654 0.920 0.014
6CYS C 100 3.775 1.305 -0.078
6CYS O 101 3.815 1.361 0.026
7GLU N 102 3.786 1.348 -0.202
7GLU H 103 3.740 1.300 -0.276
7GLU CA 104 3.868 1.469 -0.231
7GLU HA 105 3.960 1.455 -0.193
7GLU CB 106 3.878 1.485 -0.382
7GLU HB1 107 3.923 1.402 -0.417
7GLU HB2 108 3.785 1.489 -0.417
7GLU CG 109 3.954 1.605 -0.438
7GLU HG1 110 3.913 1.687 -0.399
7GLU HG2 111 4.049 1.598 -0.407
7GLU CD 112 3.958 1.624 -0.587
7GLU OE1 113 3.867 1.564 -0.649
7GLU OE2 114 4.042 1.695 -0.638
7GLU C 115 3.805 1.593 -0.166
7GLU O 116 3.874 1.673 -0.101
8LEU N 117 3.674 1.605 -0.182
8LEU H 118 3.626 1.535 -0.235
8LEU CA 119 3.596 1.716 -0.125
8LEU HA 120 3.640 1.801 -0.156
8LEU CB 121 3.453 1.717 -0.181
8LEU HB1 122 3.457 1.722 -0.281
8LEU HB2 123 3.406 1.633 -0.153
8LEU CG 124 3.372 1.835 -0.131
8LEU HG 125 3.378 1.842 -0.031
8LEU CD1 126 3.430 1.966 -0.184
8LEU HD11 127 3.376 2.043 -0.150
8LEU HD12 128 3.524 1.975 -0.153
8LEU HD13 129 3.427 1.965 -0.284
8LEU CD2 130 3.225 1.814 -0.160
8LEU HD21 131 3.172 1.893 -0.126
8LEU HD22 132 3.211 1.805 -0.258
8LEU HD23 133 3.193 1.731 -0.114
8LEU C 134 3.605 1.713 0.027
8LEU O 135 3.616 1.817 0.092
9ALA N 136 3.575 1.598 0.083
9ALA H 137 3.546 1.522 0.024
9ALA CA 138 3.584 1.576 0.228
9ALA HA 139 3.508 1.626 0.269
9ALA CB 140 3.566 1.429 0.262
9ALA HB1 141 3.572 1.416 0.361
9ALA HB2 142 3.476 1.398 0.230
9ALA HB3 143 3.637 1.375 0.218
9ALA C 144 3.714 1.631 0.284
9ALA O 145 3.715 1.698 0.390
10ALA N 146 3.827 1.598 0.220
10ALA H 147 3.820 1.539 0.140
10ALA CA 148 3.961 1.643 0.262
10ALA HA 149 3.969 1.619 0.358
10ALA CB 150 4.071 1.571 0.184
10ALA HB1 151 4.160 1.603 0.215
10ALA HB2 152 4.064 1.472 0.201
10ALA HB3 153 4.060 1.589 0.086
10ALA C 154 3.974 1.794 0.246
10ALA O 155 4.019 1.850 0.347
11ALA N 156 3.923 1.852 0.139
11ALA H 157 3.881 1.795 0.067
11ALA CA 158 3.926 1.998 0.122
11ALA HA 159 4.023 2.023 0.133
11ALA CB 160 3.887 2.042 -0.018
11ALA HB1 161 3.891 2.142 -0.024
11ALA HB2 162 3.950 2.002 -0.084
11ALA HB3 163 3.794 2.011 -0.037
11ALA C 164 3.849 2.070 0.232
11ALA O 165 3.895 2.166 0.295
12MET N 166 3.729 2.021 0.259
12MET H 167 3.697 1.942 0.207
12MET CA 168 3.640 2.078 0.361
12MET HA 169 3.634 2.175 0.339
12MET CB 170 3.499 2.021 0.352
12MET HB1 171 3.504 1.921 0.348
12MET HB2 172 3.446 2.050 0.431
12MET CG 173 3.432 2.072 0.227
12MET HG1 174 3.432 2.172 0.233
12MET HG2 175 3.490 2.044 0.150
12MET SD 176 3.263 1.999 0.223
12MET CE 177 3.179 2.114 0.114
12MET HE1 178 3.084 2.085 0.103
12MET HE2 179 3.182 2.205 0.153
12MET HE3 180 3.224 2.114 0.025
12MET C 181 3.699 2.072 0.501
12MET O 182 3.691 2.164 0.584
13LYS N 183 3.769 1.963 0.531
13LYS H 184 3.774 1.891 0.462
13LYS CA 185 3.839 1.939 0.658
13LYS HA 186 3.775 1.946 0.735
13LYS CB 187 3.893 1.795 0.657
13LYS HB1 188 3.816 1.732 0.650
13LYS HB2 189 3.952 1.785 0.577
13LYS CG 190 3.974 1.755 0.780
13LYS HG1 191 4.051 1.699 0.750
13LYS HG2 192 4.009 1.839 0.823
13LYS CD 193 3.897 1.678 0.883
13LYS HD1 194 3.922 1.711 0.974
13LYS HD2 195 3.799 1.691 0.868
13LYS CE 196 3.929 1.531 0.875
13LYS HE1 197 3.968 1.510 0.785
13LYS HE2 198 3.996 1.507 0.946
13LYS NZ 199 3.808 1.446 0.895
13LYS HZ1 200 3.833 1.350 0.888
13LYS HZ2 201 3.768 1.465 0.985
13LYS HZ3 202 3.740 1.468 0.824
13LYS C 203 3.946 2.047 0.673
13LYS O 204 3.951 2.114 0.778
14ARG N 205 4.027 2.063 0.569
14ARG H 206 4.011 2.009 0.486
14ARG CA 207 4.139 2.158 0.571
14ARG HA 208 4.189 2.135 0.655
14ARG CB 209 4.239 2.135 0.460
14ARG HB1 210 4.328 2.162 0.495
14ARG HB2 211 4.239 2.037 0.440
14ARG CG 212 4.217 2.208 0.329
14ARG HG1 213 4.145 2.162 0.277
14ARG HG2 214 4.190 2.302 0.347
14ARG CD 215 4.344 2.207 0.249
14ARG HD1 216 4.336 2.269 0.171
14ARG HD2 217 4.421 2.237 0.306
14ARG NE 218 4.369 2.071 0.201
14ARG HE 219 4.430 2.011 0.253
14ARG CZ 220 4.310 2.026 0.089
14ARG NH1 221 4.269 2.119 0.002
14ARG HH11 222 4.284 2.216 0.022
14ARG HH12 223 4.225 2.091 -0.083
14ARG NH2 224 4.295 1.896 0.069
14ARG HH21 225 4.328 1.830 0.137
14ARG HH22 226 4.251 1.863 -0.015
14ARG C 227 4.093 2.302 0.588
14ARG O 228 4.156 2.383 0.658
15HIS N 229 3.968 2.325 0.546
15HIS H 230 3.914 2.249 0.510
15HIS CA 231 3.908 2.459 0.553
15HIS HA 232 3.988 2.519 0.554
15HIS CB 233 3.822 2.492 0.428
15HIS HB1 234 3.773 2.410 0.398
15HIS HB2 235 3.757 2.564 0.450
15HIS CG 236 3.908 2.539 0.317
15HIS ND1 237 3.946 2.464 0.209
15HIS CD2 238 3.974 2.657 0.299
15HIS HD2 239 3.966 2.739 0.356
15HIS CE1 240 4.021 2.531 0.126
15HIS HE1 241 4.049 2.504 0.034
15HIS NE2 242 4.052 2.642 0.189
15HIS HE2 243 4.124 2.706 0.160
15HIS C 244 3.831 2.486 0.681
15HIS O 245 3.761 2.588 0.695
16GLY N 246 3.830 2.393 0.772
16GLY H 247 3.869 2.305 0.746
16GLY CA 248 3.776 2.402 0.907
16GLY HA1 249 3.825 2.334 0.962
16GLY HA2 250 3.799 2.494 0.940
16GLY C 251 3.626 2.380 0.921
16GLY O 252 3.565 2.440 1.013
17LEU N 253 3.566 2.307 0.827
17LEU H 254 3.622 2.270 0.753
17LEU CA 255 3.424 2.280 0.830
17LEU HA 256 3.386 2.364 0.869
17LEU CB 257 3.365 2.265 0.690
17LEU HB1 258 3.425 2.204 0.639
17LEU HB2 259 3.275 2.222 0.700
17LEU CG 260 3.345 2.389 0.606
17LEU HG 261 3.433 2.436 0.598
17LEU CD1 262 3.293 2.342 0.470
17LEU HD11 263 3.279 2.421 0.411
17LEU HD12 264 3.360 2.281 0.429
17LEU HD13 265 3.207 2.293 0.483
17LEU CD2 266 3.256 2.495 0.668
17LEU HD21 267 3.248 2.573 0.606
17LEU HD22 268 3.165 2.456 0.684
17LEU HD23 269 3.295 2.525 0.755
17LEU C 270 3.385 2.168 0.927
17LEU O 271 3.264 2.159 0.955
18ASP N 272 3.478 2.081 0.961
18ASP H 273 3.571 2.091 0.923
18ASP CA 274 3.449 1.972 1.053
18ASP HA 275 3.372 1.928 1.007
18ASP CB 276 3.556 1.863 1.060
18ASP HB1 277 3.583 1.838 0.967
18ASP HB2 278 3.635 1.898 1.110
18ASP CG 279 3.502 1.741 1.131
18ASP OD1 280 3.381 1.715 1.145
18ASP OD2 281 3.592 1.660 1.166
18ASP C 282 3.401 2.022 1.190
18ASP O 283 3.483 2.078 1.266
19ASN N 284 3.275 1.999 1.220
19ASN H 285 3.219 1.949 1.155
19ASN CA 286 3.212 2.043 1.345
19ASN HA 287 3.129 1.989 1.334
19ASN CB 288 3.277 2.000 1.477
19ASN HB1 289 3.274 1.901 1.481
19ASN HB2 290 3.372 2.031 1.475
19ASN CG 291 3.216 2.051 1.606
19ASN OD1 292 3.097 2.027 1.635
19ASN ND2 293 3.285 2.136 1.685
19ASN HD21 294 3.376 2.166 1.659
19ASN HD22 295 3.244 2.169 1.770
19ASN C 296 3.185 2.194 1.350
19ASN O 297 3.143 2.240 1.457
20TYR N 298 3.197 2.265 1.241
20TYR H 299 3.224 2.220 1.155
20TYR CA 300 3.171 2.410 1.241
20TYR HA 301 3.230 2.450 1.311
20TYR CB 302 3.207 2.474 1.107
20TYR HB1 303 3.298 2.443 1.080
20TYR HB2 304 3.141 2.445 1.038
20TYR CG 305 3.206 2.625 1.114
20TYR CD1 306 3.314 2.689 1.176
20TYR HD1 307 3.387 2.634 1.218
20TYR CD2 308 3.098 2.700 1.069
20TYR HD2 309 3.018 2.655 1.030
20TYR CE1 310 3.321 2.828 1.179
20TYR HE1 311 3.404 2.874 1.211
20TYR CE2 312 3.102 2.840 1.078
20TYR HE2 313 3.027 2.895 1.041
20TYR CZ 314 3.210 2.902 1.138
20TYR OH 315 3.214 3.037 1.153
20TYR HH 316 3.128 3.076 1.119
20TYR C 317 3.023 2.434 1.276
20TYR O 318 2.929 2.387 1.212
21ARG N 319 3.009 2.514 1.380
21ARG H 320 3.091 2.548 1.426
21ARG CA 321 2.877 2.555 1.432
21ARG HA 322 2.897 2.605 1.516
21ARG CB 323 2.801 2.657 1.345
21ARG HB1 324 2.808 2.627 1.250
21ARG HB2 325 2.705 2.656 1.373
21ARG CG 326 2.851 2.799 1.354
21ARG HG1 327 2.951 2.798 1.350
21ARG HG2 328 2.815 2.849 1.274
21ARG CD 329 2.811 2.875 1.477
21ARG HD1 330 2.747 2.949 1.454
21ARG HD2 331 2.769 2.815 1.544
21ARG NE 332 2.932 2.932 1.532
21ARG HE 333 2.954 2.891 1.621
21ARG CZ 334 3.022 3.023 1.498
21ARG NH1 335 3.150 2.986 1.485
21ARG HH11 336 3.176 2.890 1.501
21ARG HH12 337 3.220 3.053 1.459
21ARG NH2 338 2.994 3.144 1.449
21ARG HH21 339 2.899 3.172 1.437
21ARG HH22 340 3.068 3.206 1.426
21ARG C 341 2.796 2.431 1.462
21ARG O 342 2.673 2.433 1.461
22GLY N 343 2.869 2.325 1.500
22GLY H 344 2.968 2.330 1.492
22GLY CA 345 2.810 2.202 1.552
22GLY HA1 346 2.877 2.161 1.615
22GLY HA2 347 2.728 2.227 1.602
22GLY C 348 2.775 2.102 1.444
22GLY O 349 2.708 2.002 1.478
23TYR N 350 2.821 2.123 1.322
23TYR H 351 2.879 2.203 1.304
23TYR CA 352 2.789 2.032 1.211
23TYR HA 353 2.720 1.970 1.250
23TYR CB 354 2.735 2.111 1.091
23TYR HB1 355 2.800 2.183 1.070
23TYR HB2 356 2.727 2.049 1.013
23TYR CG 357 2.600 2.174 1.113
23TYR CD1 358 2.485 2.096 1.114
23TYR HD1 359 2.491 1.998 1.094
23TYR CD2 360 2.590 2.310 1.146
23TYR HD2 361 2.672 2.366 1.150
23TYR CE1 362 2.360 2.152 1.142
23TYR HE1 363 2.278 2.095 1.142
23TYR CE2 364 2.465 2.367 1.173
23TYR HE2 365 2.458 2.465 1.193
23TYR CZ 366 2.352 2.288 1.170
23TYR OH 367 2.229 2.344 1.191
23TYR HH 368 2.239 2.441 1.210
23TYR C 369 2.912 1.953 1.163
23TYR O 370 3.004 2.019 1.114
24SER N 371 2.903 1.822 1.181
24SER H 372 2.820 1.783 1.222
24SER CA 373 3.014 1.735 1.141
24SER HA 374 3.095 1.771 1.187
24SER CB 375 2.992 1.593 1.191
24SER HB1 376 3.071 1.536 1.169
24SER HB2 377 2.977 1.593 1.290
24SER OG 378 2.880 1.534 1.131
24SER HG 379 2.869 1.441 1.166
24SER C 380 3.036 1.738 0.989
24SER O 381 2.944 1.769 0.914
25LEU N 382 3.159 1.703 0.954
25LEU H 383 3.223 1.671 1.024
25LEU CA 384 3.204 1.709 0.814
25LEU HA 385 3.208 1.805 0.787
25LEU CB 386 3.341 1.641 0.808
25LEU HB1 387 3.403 1.686 0.872
25LEU HB2 388 3.331 1.545 0.834
25LEU CG 389 3.401 1.648 0.669
25LEU HG 390 3.342 1.602 0.602
25LEU CD1 391 3.417 1.793 0.629
25LEU HD11 392 3.457 1.798 0.537
25LEU HD12 393 3.328 1.837 0.629
25LEU HD13 394 3.478 1.839 0.694
25LEU CD2 395 3.540 1.581 0.675
25LEU HD21 396 3.582 1.584 0.585
25LEU HD22 397 3.597 1.630 0.741
25LEU HD23 398 3.530 1.486 0.704
25LEU C 399 3.103 1.644 0.718
25LEU O 400 3.087 1.692 0.606
26GLY N 401 3.050 1.528 0.758
26GLY H 402 3.077 1.490 0.846
26GLY CA 403 2.954 1.456 0.676
26GLY HA1 404 3.004 1.422 0.596
26GLY HA2 405 2.921 1.379 0.730
26GLY C 406 2.834 1.538 0.628
26GLY O 407 2.789 1.525 0.512
27ASN N 408 2.790 1.628 0.716
27ASN H 409 2.833 1.631 0.806
27ASN CA 410 2.683 1.723 0.686
27ASN HA 411 2.602 1.667 0.668
27ASN CB 412 2.648 1.813 0.805
27ASN HB1 413 2.732 1.846 0.849
27ASN HB2 414 2.594 1.891 0.775
27ASN CG 415 2.568 1.727 0.905
27ASN OD1 416 2.451 1.693 0.882
27ASN ND2 417 2.635 1.705 1.017
27ASN HD21 418 2.726 1.743 1.029
27ASN HD22 419 2.594 1.651 1.090
27ASN C 420 2.716 1.801 0.560
27ASN O 421 2.632 1.821 0.472
28TRP N 422 2.834 1.859 0.558
28TRP H 423 2.896 1.842 0.635
28TRP CA 424 2.883 1.947 0.451
28TRP HA 425 2.816 2.019 0.432
28TRP CB 426 3.010 2.014 0.502
28TRP HB1 427 3.078 1.943 0.523
28TRP HB2 428 3.046 2.074 0.430
28TRP CG 429 2.994 2.098 0.625
28TRP CD1 430 3.018 2.062 0.755
28TRP HD1 431 3.049 1.972 0.785
28TRP CD2 432 2.932 2.228 0.629
28TRP NE1 433 2.992 2.169 0.836
28TRP HE1 434 3.014 2.173 0.934
28TRP CE2 435 2.934 2.268 0.764
28TRP CE3 436 2.889 2.317 0.530
28TRP HE3 437 2.895 2.292 0.433
28TRP CZ2 438 2.891 2.394 0.804
28TRP HZ2 439 2.895 2.424 0.899
28TRP CZ3 440 2.840 2.440 0.568
28TRP HZ3 441 2.802 2.503 0.500
28TRP CH2 442 2.843 2.477 0.702
28TRP HH2 443 2.809 2.567 0.728
28TRP C 444 2.894 1.874 0.318
28TRP O 445 2.874 1.932 0.209
29VAL N 446 2.957 1.754 0.326
29VAL H 447 2.993 1.722 0.414
29VAL CA 448 2.973 1.671 0.205
29VAL HA 449 3.017 1.729 0.136
29VAL CB 450 3.065 1.549 0.236
29VAL HB 451 3.028 1.492 0.309
29VAL CG1 452 3.078 1.460 0.114
29VAL HG11 453 3.137 1.382 0.135
29VAL HG12 454 2.988 1.426 0.087
29VAL HG13 455 3.118 1.512 0.038
29VAL CG2 456 3.201 1.605 0.277
29VAL HG21 457 3.263 1.529 0.298
29VAL HG22 458 3.239 1.659 0.202
29VAL HG23 459 3.190 1.663 0.358
29VAL C 460 2.838 1.634 0.143
29VAL O 461 2.817 1.650 0.023
30CYS N 462 2.750 1.591 0.230
30CYS H 463 2.780 1.580 0.325
30CYS CA 464 2.612 1.557 0.199
30CYS HA 465 2.620 1.480 0.136
30CYS CB 466 2.534 1.505 0.317
30CYS HB1 467 2.594 1.436 0.358
30CYS HB2 468 2.527 1.583 0.379
30CYS SG 469 2.372 1.438 0.269
30CYS C 470 2.539 1.672 0.130
30CYS O 471 2.489 1.652 0.017
31ALA N 472 2.553 1.791 0.187
31ALA H 473 2.606 1.798 0.272
31ALA CA 474 2.495 1.913 0.131
31ALA HA 475 2.396 1.897 0.128
31ALA CB 476 2.517 2.033 0.220
31ALA HB1 477 2.475 2.114 0.178
31ALA HB2 478 2.474 2.017 0.309
31ALA HB3 479 2.615 2.049 0.232
31ALA C 480 2.549 1.935 -0.012
31ALA O 481 2.467 1.969 -0.100
32ALA N 482 2.681 1.935 -0.029
32ALA H 483 2.739 1.922 0.052
32ALA CA 484 2.746 1.954 -0.158
32ALA HA 485 2.720 2.045 -0.190
32ALA CB 486 2.898 1.948 -0.140
32ALA HB1 487 2.943 1.960 -0.228
32ALA HB2 488 2.927 2.020 -0.077
32ALA HB3 489 2.924 1.859 -0.102
32ALA C 490 2.694 1.854 -0.262
32ALA O 491 2.677 1.886 -0.379
33LYS N 492 2.673 1.730 -0.219
33LYS H 493 2.691 1.710 -0.123
33LYS CA 494 2.626 1.622 -0.304
33LYS HA 495 2.697 1.616 -0.374
33LYS CB 496 2.622 1.486 -0.235
33LYS HB1 497 2.715 1.464 -0.207
33LYS HB2 498 2.564 1.495 -0.154
33LYS CG 499 2.570 1.370 -0.319
33LYS HG1 500 2.570 1.288 -0.261
33LYS HG2 501 2.476 1.391 -0.346
33LYS CD 502 2.650 1.340 -0.445
33LYS HD1 503 2.668 1.425 -0.494
33LYS HD2 504 2.736 1.296 -0.420
33LYS CE 505 2.569 1.246 -0.533
33LYS HE1 506 2.541 1.167 -0.479
33LYS HE2 507 2.487 1.295 -0.565
33LYS NZ 508 2.642 1.198 -0.652
33LYS HZ1 509 2.583 1.137 -0.706
33LYS HZ2 510 2.669 1.276 -0.709
33LYS HZ3 511 2.724 1.148 -0.623
33LYS C 512 2.490 1.656 -0.366
33LYS O 513 2.481 1.651 -0.489
34PHE N 514 2.397 1.695 -0.282
34PHE H 515 2.422 1.713 -0.186
34PHE CA 516 2.257 1.712 -0.325
34PHE HA 517 2.238 1.652 -0.402
34PHE CB 518 2.163 1.667 -0.213
34PHE HB1 519 2.191 1.709 -0.127
34PHE HB2 520 2.069 1.696 -0.235
34PHE CG 521 2.164 1.517 -0.197
34PHE CD1 522 2.121 1.435 -0.301
34PHE HD1 523 2.078 1.475 -0.382
34PHE CD2 524 2.227 1.463 -0.085
34PHE HD2 525 2.260 1.523 -0.012
34PHE CE1 526 2.137 1.296 -0.291
34PHE HE1 527 2.110 1.237 -0.367
34PHE CE2 528 2.244 1.324 -0.074
34PHE HE2 529 2.293 1.286 0.004
34PHE CZ 530 2.192 1.241 -0.174
34PHE HZ 531 2.194 1.141 -0.161
34PHE C 532 2.235 1.851 -0.384
34PHE O 533 2.150 1.869 -0.476
35GLU N 534 2.325 1.941 -0.345
35GLU H 535 2.397 1.917 -0.280
35GLU CA 536 2.318 2.079 -0.400
35GLU HA 537 2.218 2.090 -0.400
35GLU CB 538 2.370 2.189 -0.311
35GLU HB1 539 2.464 2.165 -0.287
35GLU HB2 540 2.369 2.273 -0.365
35GLU CG 541 2.299 2.221 -0.181
35GLU HG1 542 2.290 2.135 -0.131
35GLU HG2 543 2.359 2.283 -0.130
35GLU CD 544 2.163 2.285 -0.186
35GLU OE1 545 2.141 2.336 -0.298
35GLU OE2 546 2.095 2.303 -0.087
35GLU C 547 2.366 2.094 -0.542
35GLU O 548 2.301 2.151 -0.631
36SER N 549 2.487 2.048 -0.567
36SER H 550 2.531 1.998 -0.493
36SER CA 551 2.563 2.062 -0.690
36SER HA 552 2.492 2.098 -0.750
36SER CB 553 2.683 2.153 -0.665
36SER HB1 554 2.732 2.170 -0.751
36SER HB2 555 2.654 2.240 -0.626
36SER OG 556 2.775 2.095 -0.575
36SER HG 557 2.852 2.157 -0.561
36SER C 558 2.614 1.934 -0.757
36SER O 559 2.675 1.946 -0.864
37ASN N 560 2.596 1.822 -0.693
37ASN H 561 2.533 1.822 -0.615
37ASN CA 562 2.663 1.697 -0.730
37ASN HA 563 2.644 1.629 -0.658
37ASN CB 564 2.603 1.649 -0.862
37ASN HB1 565 2.506 1.674 -0.864
37ASN HB2 566 2.651 1.694 -0.937
37ASN CG 567 2.616 1.498 -0.878
37ASN OD1 568 2.664 1.427 -0.789
37ASN ND2 569 2.587 1.451 -0.999
37ASN HD21 570 2.559 1.513 -1.072
37ASN HD22 571 2.593 1.352 -1.017
37ASN C 572 2.815 1.709 -0.730
37ASN O 573 2.881 1.663 -0.825
38PHE N 574 2.869 1.788 -0.638
38PHE H 575 2.809 1.834 -0.573
38PHE CA 576 3.013 1.811 -0.628
38PHE HA 577 3.018 1.869 -0.546
38PHE CB 578 3.091 1.682 -0.605
38PHE HB1 579 3.082 1.625 -0.686
38PHE HB2 580 3.188 1.706 -0.592
38PHE CG 581 3.049 1.601 -0.486
38PHE CD1 582 3.010 1.657 -0.366
38PHE HD1 583 3.006 1.757 -0.358
38PHE CD2 584 3.051 1.460 -0.499
38PHE HD2 585 3.078 1.418 -0.585
38PHE CE1 586 2.977 1.581 -0.256
38PHE HE1 587 2.948 1.625 -0.171
38PHE CE2 588 3.014 1.381 -0.389
38PHE HE2 589 3.008 1.282 -0.399
38PHE CZ 590 2.984 1.441 -0.265
38PHE HZ 591 2.967 1.384 -0.184
38PHE C 592 3.072 1.890 -0.745
38PHE O 593 3.192 1.879 -0.770
39ASN N 594 2.994 1.979 -0.803
39ASN H 595 2.902 1.994 -0.766
39ASN CA 596 3.034 2.057 -0.920
39ASN HA 597 3.124 2.025 -0.950
39ASN CB 598 2.941 2.030 -1.037
39ASN HB1 599 2.926 1.931 -1.042
39ASN HB2 600 2.853 2.075 -1.018
39ASN CG 601 2.988 2.077 -1.172
39ASN OD1 602 3.058 2.175 -1.196
39ASN ND2 603 2.958 1.986 -1.265
39ASN HD21 604 2.911 1.902 -1.240
39ASN HD22 605 2.983 2.003 -1.361
39ASN C 606 3.054 2.203 -0.882
39ASN O 607 2.954 2.265 -0.842
40THR N 608 3.177 2.249 -0.893
40THR H 609 3.248 2.186 -0.921
40THR CA 610 3.214 2.387 -0.866
40THR HA 611 3.166 2.398 -0.779
40THR CB 612 3.368 2.410 -0.842
40THR HB 613 3.385 2.496 -0.794
40THR OG1 614 3.427 2.416 -0.978
40THR HG1 615 3.526 2.430 -0.971
40THR CG2 616 3.441 2.312 -0.749
40THR HG21 617 3.538 2.337 -0.743
40THR HG22 618 3.400 2.315 -0.658
40THR HG23 619 3.434 2.219 -0.786
40THR C 620 3.150 2.489 -0.959
40THR O 621 3.132 2.605 -0.921
41GLN N 622 3.100 2.443 -1.071
41GLN H 623 3.093 2.344 -1.082
41GLN CA 624 3.052 2.529 -1.181
41GLN HA 625 3.091 2.619 -1.159
41GLN CB 626 3.105 2.482 -1.317
41GLN HB1 627 3.083 2.385 -1.328
41GLN HB2 628 3.060 2.534 -1.389
41GLN CG 629 3.255 2.500 -1.328
41GLN HG1 630 3.295 2.514 -1.237
41GLN HG2 631 3.297 2.421 -1.372
41GLN CD 632 3.276 2.624 -1.413
41GLN OE1 633 3.236 2.631 -1.529
41GLN NE2 634 3.328 2.723 -1.342
41GLN HE21 635 3.347 2.710 -1.245
41GLN HE22 636 3.347 2.811 -1.386
41GLN C 637 2.899 2.538 -1.187
41GLN O 638 2.850 2.602 -1.284
42ALA N 639 2.833 2.464 -1.101
42ALA H 640 2.883 2.412 -1.032
42ALA CA 641 2.686 2.458 -1.106
42ALA HA 642 2.661 2.426 -1.198
42ALA CB 643 2.635 2.360 -1.000
42ALA HB1 644 2.536 2.356 -1.003
42ALA HB2 645 2.673 2.269 -1.017
42ALA HB3 646 2.665 2.392 -0.909
42ALA C 647 2.626 2.597 -1.081
42ALA O 648 2.664 2.669 -0.988
43THR N 649 2.528 2.629 -1.164
43THR H 650 2.510 2.569 -1.242
43THR CA 651 2.444 2.749 -1.148
43THR HA 652 2.463 2.774 -1.052
43THR CB 653 2.481 2.873 -1.237
43THR HB 654 2.426 2.953 -1.217
43THR OG1 655 2.455 2.832 -1.376
43THR HG1 656 2.478 2.908 -1.437
43THR CG2 657 2.625 2.921 -1.218
43THR HG21 658 2.642 3.000 -1.278
43THR HG22 659 2.638 2.948 -1.123
43THR HG23 660 2.688 2.848 -1.241
43THR C 661 2.298 2.711 -1.171
43THR O 662 2.272 2.627 -1.259
44ASN N 663 2.209 2.774 -1.097
44ASN H 664 2.241 2.841 -1.029
44ASN CA 665 2.064 2.750 -1.111
44ASN HA 666 2.048 2.710 -1.201
44ASN CB 667 2.016 2.648 -1.008
44ASN HB1 668 2.058 2.560 -1.027
44ASN HB2 669 2.042 2.679 -0.917
44ASN CG 670 1.865 2.632 -1.012
44ASN OD1 671 1.813 2.572 -1.108
44ASN ND2 672 1.791 2.693 -0.919
44ASN HD21 673 1.835 2.748 -0.848
44ASN HD22 674 1.691 2.683 -0.920
44ASN C 675 1.990 2.884 -1.096
44ASN O 676 2.017 2.960 -1.003
45ARG N 677 1.906 2.912 -1.192
45ARG H 678 1.892 2.843 -1.264
45ARG CA 679 1.830 3.036 -1.202
45ARG HA 680 1.884 3.106 -1.154
45ARG CB 681 1.814 3.084 -1.346
45ARG HB1 682 1.900 3.126 -1.377
45ARG HB2 683 1.793 3.005 -1.405
45ARG CG 684 1.701 3.186 -1.356
45ARG HG1 685 1.677 3.202 -1.451
45ARG HG2 686 1.621 3.153 -1.307
45ARG CD 687 1.750 3.313 -1.293
45ARG HD1 688 1.674 3.373 -1.268
45ARG HD2 689 1.806 3.295 -1.212
45ARG NE 690 1.831 3.376 -1.398
45ARG HE 691 1.931 3.380 -1.393
45ARG CZ 692 1.762 3.427 -1.502
45ARG NH1 693 1.629 3.433 -1.510
45ARG HH11 694 1.573 3.398 -1.435
45ARG HH12 695 1.585 3.473 -1.591
45ARG NH2 696 1.837 3.470 -1.603
45ARG HH21 697 1.937 3.462 -1.598
45ARG HH22 698 1.794 3.509 -1.684
45ARG C 699 1.696 3.016 -1.133
45ARG O 700 1.640 2.906 -1.143
46ASN N 701 1.655 3.117 -1.055
46ASN H 702 1.710 3.200 -1.050
46ASN CA 703 1.530 3.107 -0.978
46ASN HA 704 1.495 3.015 -0.992
46ASN CB 705 1.558 3.123 -0.830
46ASN HB1 706 1.595 3.215 -0.815
46ASN HB2 707 1.470 3.114 -0.781
46ASN CG 708 1.654 3.024 -0.768
46ASN OD1 709 1.766 3.066 -0.735
46ASN ND2 710 1.612 2.898 -0.760
46ASN HD21 711 1.522 2.873 -0.794
46ASN HD22 712 1.672 2.828 -0.720
46ASN C 713 1.426 3.206 -1.031
46ASN O 714 1.462 3.310 -1.088
47THR N 715 1.303 3.183 -0.989
47THR H 716 1.288 3.105 -0.928
47THR CA 717 1.187 3.265 -1.025
47THR HA 718 1.194 3.266 -1.124
47THR CB 719 1.050 3.202 -0.979
47THR HB 720 0.969 3.245 -1.018
47THR OG1 721 1.051 3.220 -0.834
47THR HG1 722 0.967 3.182 -0.796
47THR CG2 723 1.033 3.055 -1.019
47THR HG21 724 0.944 3.022 -0.987
47THR HG22 725 1.038 3.047 -1.118
47THR HG23 726 1.106 3.001 -0.977
47THR C 727 1.200 3.411 -0.981
47THR O 728 1.160 3.497 -1.061
48ASP N 729 1.263 3.438 -0.868
48ASP H 730 1.295 3.360 -0.814
48ASP CA 731 1.288 3.572 -0.817
48ASP HA 732 1.204 3.616 -0.847
48ASP CB 733 1.302 3.573 -0.664
48ASP HB1 734 1.294 3.668 -0.632
48ASP HB2 735 1.229 3.518 -0.624
48ASP CG 736 1.437 3.517 -0.617
48ASP OD1 737 1.510 3.460 -0.699
48ASP OD2 738 1.475 3.544 -0.501
48ASP C 739 1.401 3.651 -0.882
48ASP O 740 1.425 3.762 -0.831
49GLY N 741 1.465 3.602 -0.986
49GLY H 742 1.437 3.512 -1.021
49GLY CA 743 1.574 3.670 -1.055
49GLY HA1 744 1.565 3.650 -1.152
49GLY HA2 745 1.561 3.768 -1.039
49GLY C 746 1.715 3.632 -1.010
49GLY O 747 1.817 3.669 -1.069
50SER N 748 1.717 3.566 -0.893
50SER H 749 1.631 3.546 -0.848
50SER CA 750 1.844 3.523 -0.828
50SER HA 751 1.910 3.595 -0.842
50SER CB 752 1.827 3.509 -0.678
50SER HB1 753 1.916 3.501 -0.634
50SER HB2 754 1.778 3.588 -0.641
50SER OG 755 1.753 3.393 -0.646
50SER HG 756 1.743 3.386 -0.547
50SER C 757 1.898 3.396 -0.894
50SER O 758 1.827 3.326 -0.970
51THR N 759 2.027 3.377 -0.873
51THR H 760 2.079 3.446 -0.824
51THR CA 761 2.097 3.256 -0.920
51THR HA 762 2.029 3.189 -0.951
51THR CB 763 2.190 3.291 -1.042
51THR HB 764 2.262 3.357 -1.019
51THR OG1 765 2.110 3.358 -1.141
51THR HG1 766 2.167 3.381 -1.220
51THR CG2 767 2.269 3.170 -1.095
51THR HG21 768 2.326 3.198 -1.172
51THR HG22 769 2.326 3.133 -1.022
51THR HG23 770 2.204 3.100 -1.126
51THR C 771 2.172 3.197 -0.800
51THR O 772 2.216 3.271 -0.712
52ASP N 773 2.171 3.065 -0.793
52ASP H 774 2.112 3.014 -0.855
52ASP CA 775 2.253 2.990 -0.696
52ASP HA 776 2.270 3.048 -0.617
52ASP CB 777 2.177 2.865 -0.655
52ASP HB1 778 2.165 2.806 -0.735
52ASP HB2 779 2.229 2.816 -0.585
52ASP CG 780 2.040 2.899 -0.600
52ASP OD1 781 2.022 2.993 -0.524
52ASP OD2 782 1.952 2.814 -0.622
52ASP C 783 2.384 2.949 -0.763
52ASP O 784 2.385 2.907 -0.881
53TYR N 785 2.492 2.973 -0.691
53TYR H 786 2.481 3.002 -0.595
53TYR CA 787 2.628 2.960 -0.745
53TYR HA 788 2.610 2.925 -0.837
53TYR CB 789 2.699 3.097 -0.749
53TYR HB1 790 2.693 3.139 -0.658
53TYR HB2 791 2.795 3.082 -0.772
53TYR CG 792 2.644 3.196 -0.849
53TYR CD1 793 2.684 3.200 -0.982
53TYR HD1 794 2.754 3.136 -1.014
53TYR CD2 795 2.551 3.291 -0.805
53TYR HD2 796 2.527 3.294 -0.708
53TYR CE1 797 2.629 3.292 -1.072
53TYR HE1 798 2.656 3.292 -1.168
53TYR CE2 799 2.491 3.380 -0.893
53TYR HE2 800 2.417 3.440 -0.862
53TYR CZ 801 2.536 3.385 -1.025
53TYR OH 802 2.486 3.480 -1.109
53TYR HH 803 2.421 3.538 -1.060
53TYR C 804 2.716 2.859 -0.671
53TYR O 805 2.729 2.861 -0.549
54GLY N 806 2.775 2.772 -0.749
54GLY H 807 2.742 2.766 -0.843
54GLY CA 808 2.885 2.683 -0.712
54GLY HA1 809 2.927 2.653 -0.798
54GLY HA2 810 2.950 2.739 -0.661
54GLY C 811 2.850 2.560 -0.629
54GLY O 812 2.734 2.516 -0.626
55ILE N 813 2.956 2.509 -0.568
55ILE H 814 3.043 2.558 -0.570
55ILE CA 815 2.945 2.379 -0.499
55ILE HA 816 2.905 2.318 -0.567
55ILE CB 817 3.089 2.334 -0.456
55ILE HB 818 3.161 2.348 -0.524
55ILE CG1 819 3.079 2.181 -0.432
55ILE HG11 820 3.036 2.167 -0.342
55ILE HG12 821 3.019 2.143 -0.503
55ILE CG2 822 3.140 2.421 -0.339
55ILE HG21 823 3.231 2.391 -0.312
55ILE HG22 824 3.143 2.517 -0.367
55ILE HG23 825 3.078 2.411 -0.261
55ILE CD 826 3.210 2.102 -0.434
55ILE HD1 827 3.191 2.005 -0.417
55ILE HD2 828 3.254 2.112 -0.523
55ILE HD3 829 3.271 2.137 -0.363
55ILE C 830 2.842 2.375 -0.387
55ILE O 831 2.777 2.270 -0.369
56LEU N 832 2.822 2.488 -0.324
56LEU H 833 2.878 2.568 -0.346
56LEU CA 834 2.717 2.500 -0.220
56LEU HA 835 2.678 2.409 -0.207
56LEU CB 836 2.782 2.542 -0.088
56LEU HB1 837 2.839 2.623 -0.105
56LEU HB2 838 2.708 2.567 -0.024
56LEU CG 839 2.869 2.435 -0.020
56LEU HG 840 2.941 2.399 -0.080
56LEU CD1 841 2.933 2.500 0.101
56LEU HD11 842 2.991 2.433 0.148
56LEU HD12 843 2.989 2.577 0.072
56LEU HD13 844 2.862 2.531 0.163
56LEU CD2 845 2.781 2.318 0.019
56LEU HD21 846 2.837 2.247 0.063
56LEU HD22 847 2.711 2.349 0.083
56LEU HD23 848 2.737 2.280 -0.062
56LEU C 849 2.598 2.584 -0.266
56LEU O 850 2.516 2.611 -0.177
57GLN N 851 2.586 2.610 -0.395
57GLN H 852 2.660 2.584 -0.457
57GLN CA 853 2.467 2.678 -0.447
57GLN HA 854 2.490 2.715 -0.537
57GLN CB 855 2.352 2.576 -0.455
57GLN HB1 856 2.348 2.525 -0.369
57GLN HB2 857 2.266 2.625 -0.469
57GLN CG 858 2.373 2.479 -0.570
57GLN HG1 859 2.463 2.436 -0.559
57GLN HG2 860 2.302 2.409 -0.566
57GLN CD 861 2.368 2.544 -0.707
57GLN OE1 862 2.257 2.560 -0.759
57GLN NE2 863 2.481 2.580 -0.765
57GLN HE21 864 2.569 2.565 -0.719
57GLN HE22 865 2.479 2.623 -0.855
57GLN C 866 2.428 2.794 -0.356
57GLN O 867 2.312 2.803 -0.309
58ILE N 868 2.516 2.891 -0.343
58ILE H 869 2.605 2.881 -0.389
58ILE CA 870 2.493 3.012 -0.265
58ILE HA 871 2.433 2.986 -0.189
58ILE CB 872 2.630 3.066 -0.213
58ILE HB 873 2.700 3.068 -0.285
58ILE CG1 874 2.675 2.972 -0.098
58ILE HG11 875 2.620 2.991 -0.017
58ILE HG12 876 2.662 2.877 -0.127
58ILE CG2 877 2.618 3.214 -0.169
58ILE HG21 878 2.707 3.246 -0.137
58ILE HG22 879 2.588 3.269 -0.247
58ILE HG23 880 2.551 3.221 -0.096
58ILE CD 881 2.825 2.995 -0.064
58ILE HD1 882 2.852 2.934 0.010
58ILE HD2 883 2.881 2.977 -0.145
58ILE HD3 884 2.838 3.090 -0.035
58ILE C 885 2.420 3.116 -0.350
58ILE O 886 2.455 3.141 -0.467
59ASN N 887 2.315 3.167 -0.290
59ASN H 888 2.301 3.148 -0.193
59ASN CA 889 2.215 3.251 -0.359
59ASN HA 890 2.210 3.219 -0.454
59ASN CB 891 2.080 3.231 -0.288
59ASN HB1 892 2.061 3.133 -0.284
59ASN HB2 893 2.087 3.268 -0.196
59ASN CG 894 1.965 3.299 -0.359
59ASN OD1 895 1.946 3.417 -0.324
59ASN ND2 896 1.916 3.232 -0.461
59ASN HD21 897 1.954 3.144 -0.487
59ASN HD22 898 1.839 3.270 -0.513
59ASN C 899 2.255 3.397 -0.373
59ASN O 900 2.292 3.461 -0.274
60SER N 901 2.227 3.448 -0.494
60SER H 902 2.185 3.390 -0.564
60SER CA 903 2.257 3.591 -0.525
60SER HA 904 2.346 3.600 -0.480
60SER CB 905 2.264 3.614 -0.675
60SER HB1 906 2.297 3.707 -0.693
60SER HB2 907 2.327 3.548 -0.716
60SER OG 908 2.143 3.601 -0.744
60SER HG 909 2.159 3.618 -0.842
60SER C 910 2.169 3.699 -0.464
60SER O 911 2.205 3.818 -0.477
61ARG N 912 2.053 3.666 -0.414
61ARG H 913 2.020 3.572 -0.423
61ARG CA 914 1.969 3.765 -0.343
61ARG HA 915 1.969 3.843 -0.406
61ARG CB 916 1.827 3.720 -0.325
61ARG HB1 917 1.797 3.673 -0.409
61ARG HB2 918 1.824 3.655 -0.249
61ARG CG 919 1.732 3.835 -0.296
61ARG HG1 920 1.767 3.894 -0.224
61ARG HG2 921 1.714 3.889 -0.378
61ARG CD 922 1.606 3.766 -0.250
61ARG HD1 923 1.566 3.713 -0.326
61ARG HD2 924 1.627 3.704 -0.174
61ARG NE 925 1.510 3.865 -0.206
61ARG HE 926 1.541 3.955 -0.173
61ARG CZ 927 1.379 3.835 -0.211
61ARG NH1 928 1.344 3.726 -0.278
61ARG HH11 929 1.414 3.670 -0.323
61ARG HH12 930 1.248 3.700 -0.284
61ARG NH2 931 1.293 3.925 -0.165
61ARG HH21 932 1.325 4.012 -0.128
61ARG HH22 933 1.194 3.905 -0.167
61ARG C 934 2.028 3.811 -0.211
61ARG O 935 2.028 3.933 -0.188
62TRP N 936 2.077 3.720 -0.127
62TRP H 937 2.077 3.624 -0.155
62TRP CA 938 2.132 3.756 0.003
62TRP HA 939 2.095 3.849 0.013
62TRP CB 940 2.083 3.661 0.113
62TRP HB1 941 2.130 3.573 0.103
62TRP HB2 942 2.105 3.700 0.203
62TRP CG 943 1.936 3.636 0.110
62TRP CD1 944 1.872 3.525 0.064
62TRP HD1 945 1.917 3.440 0.037
62TRP CD2 946 1.833 3.730 0.143
62TRP NE1 947 1.736 3.546 0.061
62TRP HE1 948 1.668 3.480 0.028
62TRP CE2 949 1.709 3.670 0.110
62TRP CE3 950 1.833 3.858 0.197
62TRP HE3 951 1.919 3.904 0.219
62TRP CZ2 952 1.587 3.733 0.131
62TRP HZ2 953 1.501 3.687 0.110
62TRP CZ3 954 1.712 3.921 0.219
62TRP HZ3 955 1.710 4.011 0.262
62TRP CH2 956 1.591 3.861 0.181
62TRP HH2 957 1.505 3.912 0.192
62TRP C 958 2.285 3.764 0.010
62TRP O 959 2.332 3.840 0.097
63TRP N 960 2.354 3.673 -0.058
63TRP H 961 2.309 3.626 -0.134
63TRP CA 962 2.491 3.640 -0.028
63TRP HA 963 2.493 3.706 0.047
63TRP CB 964 2.507 3.492 0.011
63TRP HB1 965 2.501 3.436 -0.071
63TRP HB2 966 2.596 3.479 0.054
63TRP CG 967 2.404 3.443 0.107
63TRP CD1 968 2.296 3.362 0.078
63TRP HD1 969 2.273 3.328 -0.014
63TRP CD2 970 2.392 3.473 0.245
63TRP NE1 971 2.224 3.334 0.190
63TRP HE1 972 2.147 3.272 0.196
63TRP CE2 973 2.276 3.407 0.293
63TRP CE3 974 2.469 3.548 0.332
63TRP HE3 975 2.552 3.594 0.300
63TRP CZ2 976 2.239 3.413 0.428
63TRP HZ2 977 2.159 3.364 0.462
63TRP CZ3 978 2.430 3.559 0.465
63TRP HZ3 979 2.483 3.616 0.528
63TRP CH2 980 2.318 3.491 0.512
63TRP HH2 981 2.293 3.499 0.608
63TRP C 982 2.609 3.692 -0.105
63TRP O 983 2.714 3.718 -0.043
64CYS N 984 2.596 3.691 -0.235
64CYS H 985 2.512 3.653 -0.274
64CYS CA 986 2.698 3.743 -0.327
64CYS HA 987 2.766 3.794 -0.274
64CYS CB 988 2.764 3.626 -0.399
64CYS HB1 989 2.836 3.670 -0.453
64CYS HB2 990 2.805 3.574 -0.325
64CYS SG 991 2.656 3.523 -0.501
64CYS C 992 2.632 3.836 -0.429
64CYS O 993 2.510 3.831 -0.447
65ASN N 994 2.716 3.917 -0.491
65ASN H 995 2.813 3.912 -0.469
65ASN CA 996 2.670 4.013 -0.592
65ASN HA 997 2.571 4.020 -0.578
65ASN CB 998 2.738 4.149 -0.571