Mercurial > repos > chemteam > gmx_solvate
view test-data/newbox.gro @ 9:1809414a9454 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 71a3084d6e402b31563b1662bb629d5a959ce7b7"
| author | chemteam |
|---|---|
| date | Wed, 15 Apr 2020 14:13:12 -0400 |
| parents | 77aaf9a68166 |
| children | 27ea4e1a3f95 |
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LYSOZYME 2194 1LYS N 1 4.434 3.396 2.469 1LYS H1 2 4.510 3.450 2.431 1LYS H2 3 4.368 3.376 2.397 1LYS H3 4 4.390 3.448 2.542 1LYS CA 5 4.487 3.269 2.524 1LYS HA 6 4.531 3.217 2.451 1LYS CB 7 4.585 3.306 2.636 1LYS HB1 8 4.661 3.357 2.597 1LYS HB2 9 4.537 3.363 2.703 1LYS CG 10 4.643 3.187 2.711 1LYS HG1 11 4.574 3.151 2.773 1LYS HG2 12 4.668 3.116 2.644 1LYS CD 13 4.767 3.227 2.790 1LYS HD1 14 4.843 3.245 2.727 1LYS HD2 15 4.747 3.309 2.843 1LYS CE 16 4.804 3.113 2.883 1LYS HE1 17 4.739 3.108 2.959 1LYS HE2 18 4.804 3.026 2.834 1LYS NZ 19 4.940 3.139 2.937 1LYS HZ1 20 4.967 3.065 2.999 1LYS HZ2 21 5.006 3.144 2.861 1LYS HZ3 22 4.940 3.226 2.987 1LYS C 23 4.372 3.188 2.583 1LYS O 24 4.293 3.243 2.659 2VAL N 25 4.372 3.058 2.563 2VAL H 26 4.434 3.022 2.493 2VAL CA 27 4.288 2.962 2.634 2VAL HA 28 4.215 3.014 2.677 2VAL CB 29 4.212 2.865 2.544 2VAL HB 30 4.284 2.814 2.497 2VAL CG1 31 4.123 2.770 2.624 2VAL HG11 32 4.075 2.709 2.561 2VAL HG12 33 4.180 2.717 2.686 2VAL HG13 34 4.056 2.823 2.676 2VAL CG2 35 4.127 2.933 2.438 2VAL HG21 36 4.081 2.864 2.383 2VAL HG22 37 4.060 2.992 2.482 2VAL HG23 38 4.186 2.989 2.379 2VAL C 39 4.378 2.893 2.738 2VAL O 40 4.474 2.823 2.701 3PHE N 41 4.347 2.917 2.863 3PHE H 42 4.273 2.981 2.883 3PHE CA 43 4.417 2.852 2.975 3PHE HA 44 4.513 2.859 2.950 3PHE CB 45 4.395 2.925 3.108 3PHE HB1 46 4.303 2.964 3.109 3PHE HB2 47 4.404 2.860 3.183 3PHE CG 48 4.492 3.036 3.129 3PHE CD1 49 4.465 3.167 3.087 3PHE HD1 50 4.379 3.187 3.040 3PHE CD2 51 4.598 3.018 3.220 3PHE HD2 52 4.611 2.928 3.262 3PHE CE1 53 4.556 3.270 3.110 3PHE HE1 54 4.546 3.357 3.063 3PHE CE2 55 4.685 3.121 3.251 3PHE HE2 56 4.764 3.104 3.310 3PHE CZ 57 4.662 3.249 3.200 3PHE HZ 58 4.720 3.326 3.228 3PHE C 59 4.372 2.706 2.990 3PHE O 60 4.250 2.678 2.981 4GLY N 61 4.470 2.626 3.034 4GLY H 62 4.565 2.657 3.035 4GLY CA 63 4.435 2.490 3.080 4GLY HA1 64 4.360 2.454 3.024 4GLY HA2 65 4.514 2.430 3.073 4GLY C 66 4.390 2.504 3.225 4GLY O 67 4.428 2.602 3.289 5ARG N 68 4.303 2.416 3.270 5ARG H 69 4.269 2.346 3.207 5ARG CA 70 4.254 2.416 3.408 5ARG HA 71 4.196 2.496 3.415 5ARG CB 72 4.174 2.288 3.434 5ARG HB1 73 4.098 2.284 3.370 5ARG HB2 74 4.234 2.209 3.420 5ARG CG 75 4.119 2.282 3.575 5ARG HG1 76 4.195 2.279 3.640 5ARG HG2 77 4.063 2.363 3.592 5ARG CD 78 4.036 2.162 3.595 5ARG HD1 79 4.002 2.161 3.689 5ARG HD2 80 3.958 2.167 3.532 5ARG NE 81 4.104 2.037 3.571 5ARG HE 82 4.100 2.002 3.478 5ARG CZ 83 4.171 1.963 3.657 5ARG NH1 84 4.182 1.995 3.786 5ARG HH11 85 4.137 2.078 3.820 5ARG HH12 86 4.234 1.937 3.848 5ARG NH2 87 4.223 1.846 3.614 5ARG HH21 88 4.209 1.817 3.520 5ARG HH22 89 4.274 1.788 3.677 5ARG C 90 4.365 2.435 3.511 5ARG O 91 4.365 2.527 3.597 6CYS N 92 4.465 2.347 3.506 6CYS H 93 4.465 2.278 3.434 6CYS CA 94 4.576 2.349 3.602 6CYS HA 95 4.529 2.364 3.689 6CYS CB 96 4.647 2.215 3.605 6CYS HB1 97 4.668 2.196 3.509 6CYS HB2 98 4.732 2.234 3.654 6CYS SG 99 4.552 2.082 3.681 6CYS C 100 4.673 2.467 3.589 6CYS O 101 4.713 2.523 3.693 7GLU N 102 4.684 2.510 3.465 7GLU H 103 4.638 2.462 3.391 7GLU CA 104 4.766 2.631 3.436 7GLU HA 105 4.858 2.617 3.474 7GLU CB 106 4.776 2.647 3.285 7GLU HB1 107 4.821 2.564 3.250 7GLU HB2 108 4.683 2.651 3.250 7GLU CG 109 4.852 2.767 3.229 7GLU HG1 110 4.811 2.849 3.268 7GLU HG2 111 4.947 2.760 3.260 7GLU CD 112 4.856 2.786 3.080 7GLU OE1 113 4.765 2.726 3.018 7GLU OE2 114 4.940 2.857 3.029 7GLU C 115 4.703 2.755 3.501 7GLU O 116 4.772 2.835 3.566 8LEU N 117 4.572 2.767 3.485 8LEU H 118 4.524 2.697 3.432 8LEU CA 119 4.494 2.878 3.542 8LEU HA 120 4.538 2.963 3.511 8LEU CB 121 4.351 2.879 3.486 8LEU HB1 122 4.355 2.884 3.386 8LEU HB2 123 4.304 2.795 3.514 8LEU CG 124 4.270 2.997 3.536 8LEU HG 125 4.276 3.004 3.636 8LEU CD1 126 4.328 3.128 3.483 8LEU HD11 127 4.274 3.205 3.517 8LEU HD12 128 4.422 3.137 3.514 8LEU HD13 129 4.325 3.127 3.383 8LEU CD2 130 4.123 2.976 3.507 8LEU HD21 131 4.070 3.055 3.541 8LEU HD22 132 4.109 2.967 3.409 8LEU HD23 133 4.091 2.893 3.553 8LEU C 134 4.503 2.875 3.694 8LEU O 135 4.514 2.979 3.759 9ALA N 136 4.473 2.760 3.750 9ALA H 137 4.444 2.684 3.691 9ALA CA 138 4.482 2.738 3.895 9ALA HA 139 4.406 2.788 3.936 9ALA CB 140 4.464 2.591 3.929 9ALA HB1 141 4.470 2.578 4.028 9ALA HB2 142 4.374 2.560 3.897 9ALA HB3 143 4.535 2.537 3.885 9ALA C 144 4.612 2.793 3.951 9ALA O 145 4.613 2.860 4.057 10ALA N 146 4.725 2.760 3.887 10ALA H 147 4.718 2.701 3.807 10ALA CA 148 4.859 2.805 3.929 10ALA HA 149 4.867 2.781 4.025 10ALA CB 150 4.969 2.733 3.851 10ALA HB1 151 5.058 2.765 3.882 10ALA HB2 152 4.962 2.634 3.868 10ALA HB3 153 4.958 2.751 3.753 10ALA C 154 4.872 2.956 3.913 10ALA O 155 4.917 3.012 4.014 11ALA N 156 4.821 3.014 3.806 11ALA H 157 4.779 2.957 3.734 11ALA CA 158 4.824 3.160 3.789 11ALA HA 159 4.921 3.185 3.800 11ALA CB 160 4.785 3.204 3.649 11ALA HB1 161 4.789 3.304 3.643 11ALA HB2 162 4.848 3.164 3.583 11ALA HB3 163 4.692 3.173 3.630 11ALA C 164 4.747 3.232 3.899 11ALA O 165 4.793 3.328 3.962 12MET N 166 4.627 3.183 3.926 12MET H 167 4.595 3.104 3.874 12MET CA 168 4.538 3.240 4.028 12MET HA 169 4.532 3.337 4.006 12MET CB 170 4.397 3.183 4.019 12MET HB1 171 4.402 3.083 4.015 12MET HB2 172 4.344 3.212 4.098 12MET CG 173 4.330 3.234 3.894 12MET HG1 174 4.330 3.334 3.900 12MET HG2 175 4.388 3.206 3.817 12MET SD 176 4.161 3.161 3.890 12MET CE 177 4.077 3.276 3.781 12MET HE1 178 3.982 3.247 3.770 12MET HE2 179 4.080 3.367 3.820 12MET HE3 180 4.122 3.276 3.692 12MET C 181 4.597 3.234 4.168 12MET O 182 4.589 3.326 4.251 13LYS N 183 4.667 3.125 4.198 13LYS H 184 4.672 3.053 4.129 13LYS CA 185 4.737 3.101 4.325 13LYS HA 186 4.673 3.108 4.402 13LYS CB 187 4.791 2.957 4.324 13LYS HB1 188 4.714 2.894 4.317 13LYS HB2 189 4.850 2.947 4.244 13LYS CG 190 4.872 2.917 4.447 13LYS HG1 191 4.949 2.861 4.417 13LYS HG2 192 4.907 3.001 4.490 13LYS CD 193 4.795 2.840 4.550 13LYS HD1 194 4.820 2.873 4.641 13LYS HD2 195 4.697 2.853 4.535 13LYS CE 196 4.827 2.693 4.542 13LYS HE1 197 4.866 2.672 4.452 13LYS HE2 198 4.894 2.669 4.613 13LYS NZ 199 4.706 2.608 4.562 13LYS HZ1 200 4.731 2.512 4.555 13LYS HZ2 201 4.666 2.627 4.652 13LYS HZ3 202 4.638 2.630 4.491 13LYS C 203 4.844 3.209 4.340 13LYS O 204 4.849 3.276 4.445 14ARG N 205 4.925 3.225 4.236 14ARG H 206 4.909 3.171 4.153 14ARG CA 207 5.037 3.320 4.238 14ARG HA 208 5.087 3.297 4.322 14ARG CB 209 5.137 3.297 4.127 14ARG HB1 210 5.226 3.324 4.162 14ARG HB2 211 5.137 3.199 4.107 14ARG CG 212 5.115 3.370 3.996 14ARG HG1 213 5.043 3.324 3.944 14ARG HG2 214 5.088 3.464 4.014 14ARG CD 215 5.242 3.369 3.916 14ARG HD1 216 5.234 3.431 3.838 14ARG HD2 217 5.319 3.399 3.973 14ARG NE 218 5.267 3.233 3.868 14ARG HE 219 5.328 3.173 3.920 14ARG CZ 220 5.208 3.188 3.756 14ARG NH1 221 5.167 3.281 3.669 14ARG HH11 222 5.182 3.378 3.689 14ARG HH12 223 5.123 3.253 3.584 14ARG NH2 224 5.193 3.058 3.736 14ARG HH21 225 5.226 2.992 3.804 14ARG HH22 226 5.149 3.025 3.652 14ARG C 227 4.991 3.464 4.255 14ARG O 228 5.054 3.545 4.325 15HIS N 229 4.866 3.487 4.213 15HIS H 230 4.812 3.411 4.177 15HIS CA 231 4.806 3.621 4.220 15HIS HA 232 4.886 3.681 4.221 15HIS CB 233 4.720 3.654 4.095 15HIS HB1 234 4.671 3.572 4.065 15HIS HB2 235 4.655 3.726 4.117 15HIS CG 236 4.806 3.701 3.984 15HIS ND1 237 4.844 3.626 3.876 15HIS CD2 238 4.872 3.819 3.966 15HIS HD2 239 4.864 3.901 4.023 15HIS CE1 240 4.919 3.693 3.793 15HIS HE1 241 4.947 3.666 3.701 15HIS NE2 242 4.950 3.804 3.856 15HIS HE2 243 5.022 3.868 3.827 15HIS C 244 4.729 3.648 4.348 15HIS O 245 4.659 3.750 4.362 16GLY N 246 4.728 3.555 4.439 16GLY H 247 4.767 3.467 4.413 16GLY CA 248 4.674 3.564 4.574 16GLY HA1 249 4.723 3.496 4.629 16GLY HA2 250 4.697 3.656 4.607 16GLY C 251 4.524 3.542 4.588 16GLY O 252 4.463 3.602 4.680 17LEU N 253 4.464 3.469 4.494 17LEU H 254 4.520 3.432 4.420 17LEU CA 255 4.322 3.442 4.497 17LEU HA 256 4.284 3.526 4.536 17LEU CB 257 4.263 3.427 4.357 17LEU HB1 258 4.323 3.366 4.306 17LEU HB2 259 4.173 3.384 4.367 17LEU CG 260 4.243 3.551 4.273 17LEU HG 261 4.331 3.598 4.265 17LEU CD1 262 4.191 3.504 4.137 17LEU HD11 263 4.177 3.583 4.078 17LEU HD12 264 4.258 3.443 4.096 17LEU HD13 265 4.105 3.455 4.150 17LEU CD2 266 4.154 3.657 4.335 17LEU HD21 267 4.146 3.735 4.273 17LEU HD22 268 4.063 3.618 4.351 17LEU HD23 269 4.193 3.687 4.422 17LEU C 270 4.283 3.330 4.594 17LEU O 271 4.162 3.321 4.622 18ASP N 272 4.376 3.243 4.628 18ASP H 273 4.469 3.253 4.590 18ASP CA 274 4.347 3.134 4.720 18ASP HA 275 4.270 3.090 4.674 18ASP CB 276 4.454 3.025 4.727 18ASP HB1 277 4.481 3.000 4.634 18ASP HB2 278 4.533 3.060 4.777 18ASP CG 279 4.400 2.903 4.798 18ASP OD1 280 4.279 2.877 4.812 18ASP OD2 281 4.490 2.822 4.833 18ASP C 282 4.299 3.184 4.857 18ASP O 283 4.381 3.240 4.933 19ASN N 284 4.173 3.161 4.887 19ASN H 285 4.117 3.111 4.822 19ASN CA 286 4.110 3.205 5.012 19ASN HA 287 4.027 3.151 5.001 19ASN CB 288 4.175 3.162 5.144 19ASN HB1 289 4.172 3.063 5.148 19ASN HB2 290 4.270 3.193 5.142 19ASN CG 291 4.114 3.213 5.273 19ASN OD1 292 3.995 3.189 5.302 19ASN ND2 293 4.183 3.298 5.352 19ASN HD21 294 4.274 3.328 5.326 19ASN HD22 295 4.142 3.331 5.437 19ASN C 296 4.083 3.356 5.017 19ASN O 297 4.041 3.402 5.124 20TYR N 298 4.095 3.427 4.908 20TYR H 299 4.122 3.382 4.822 20TYR CA 300 4.069 3.572 4.908 20TYR HA 301 4.128 3.612 4.978 20TYR CB 302 4.105 3.636 4.774 20TYR HB1 303 4.196 3.605 4.747 20TYR HB2 304 4.039 3.607 4.705 20TYR CG 305 4.104 3.787 4.781 20TYR CD1 306 4.212 3.851 4.843 20TYR HD1 307 4.285 3.796 4.885 20TYR CD2 308 3.996 3.862 4.736 20TYR HD2 309 3.916 3.817 4.697 20TYR CE1 310 4.219 3.990 4.846 20TYR HE1 311 4.302 4.036 4.878 20TYR CE2 312 4.000 4.002 4.745 20TYR HE2 313 3.925 4.057 4.708 20TYR CZ 314 4.108 4.064 4.805 20TYR OH 315 4.112 4.199 4.820 20TYR HH 316 4.026 4.238 4.786 20TYR C 317 3.921 3.596 4.943 20TYR O 318 3.827 3.549 4.879 21ARG N 319 3.907 3.676 5.047 21ARG H 320 3.989 3.710 5.093 21ARG CA 321 3.775 3.717 5.099 21ARG HA 322 3.795 3.767 5.183 21ARG CB 323 3.699 3.819 5.012 21ARG HB1 324 3.706 3.789 4.917 21ARG HB2 325 3.603 3.818 5.040 21ARG CG 326 3.749 3.961 5.021 21ARG HG1 327 3.849 3.960 5.017 21ARG HG2 328 3.713 4.011 4.941 21ARG CD 329 3.709 4.037 5.144 21ARG HD1 330 3.645 4.111 5.121 21ARG HD2 331 3.667 3.977 5.211 21ARG NE 332 3.830 4.094 5.199 21ARG HE 333 3.852 4.053 5.288 21ARG CZ 334 3.920 4.185 5.165 21ARG NH1 335 4.048 4.148 5.152 21ARG HH11 336 4.074 4.052 5.168 21ARG HH12 337 4.118 4.215 5.126 21ARG NH2 338 3.892 4.306 5.116 21ARG HH21 339 3.797 4.334 5.104 21ARG HH22 340 3.966 4.368 5.093 21ARG C 341 3.694 3.593 5.129 21ARG O 342 3.571 3.595 5.128 22GLY N 343 3.767 3.487 5.167 22GLY H 344 3.866 3.492 5.159 22GLY CA 345 3.708 3.364 5.219 22GLY HA1 346 3.775 3.323 5.282 22GLY HA2 347 3.626 3.389 5.269 22GLY C 348 3.673 3.264 5.111 22GLY O 349 3.606 3.164 5.145 23TYR N 350 3.719 3.285 4.989 23TYR H 351 3.777 3.365 4.971 23TYR CA 352 3.687 3.194 4.878 23TYR HA 353 3.618 3.132 4.917 23TYR CB 354 3.633 3.273 4.758 23TYR HB1 355 3.698 3.345 4.737 23TYR HB2 356 3.625 3.211 4.680 23TYR CG 357 3.498 3.336 4.780 23TYR CD1 358 3.383 3.258 4.781 23TYR HD1 359 3.389 3.160 4.761 23TYR CD2 360 3.488 3.472 4.813 23TYR HD2 361 3.570 3.528 4.817 23TYR CE1 362 3.258 3.314 4.809 23TYR HE1 363 3.176 3.257 4.809 23TYR CE2 364 3.363 3.529 4.840 23TYR HE2 365 3.356 3.627 4.860 23TYR CZ 366 3.250 3.450 4.837 23TYR OH 367 3.127 3.506 4.858 23TYR HH 368 3.137 3.603 4.877 23TYR C 369 3.810 3.115 4.830 23TYR O 370 3.902 3.181 4.781 24SER N 371 3.801 2.984 4.848 24SER H 372 3.718 2.945 4.889 24SER CA 373 3.912 2.897 4.808 24SER HA 374 3.993 2.933 4.854 24SER CB 375 3.890 2.755 4.858 24SER HB1 376 3.969 2.698 4.836 24SER HB2 377 3.875 2.755 4.957 24SER OG 378 3.778 2.696 4.798 24SER HG 379 3.767 2.603 4.833 24SER C 380 3.934 2.900 4.656 24SER O 381 3.842 2.931 4.581 25LEU N 382 4.057 2.865 4.621 25LEU H 383 4.121 2.833 4.691 25LEU CA 384 4.102 2.871 4.481 25LEU HA 385 4.106 2.967 4.454 25LEU CB 386 4.239 2.803 4.475 25LEU HB1 387 4.301 2.848 4.539 25LEU HB2 388 4.229 2.707 4.501 25LEU CG 389 4.299 2.810 4.336 25LEU HG 390 4.240 2.764 4.269 25LEU CD1 391 4.315 2.955 4.296 25LEU HD11 392 4.355 2.960 4.204 25LEU HD12 393 4.226 2.999 4.296 25LEU HD13 394 4.376 3.001 4.361 25LEU CD2 395 4.438 2.743 4.342 25LEU HD21 396 4.480 2.746 4.252 25LEU HD22 397 4.495 2.792 4.408 25LEU HD23 398 4.428 2.648 4.371 25LEU C 399 4.001 2.806 4.385 25LEU O 400 3.985 2.854 4.273 26GLY N 401 3.948 2.690 4.425 26GLY H 402 3.975 2.652 4.513 26GLY CA 403 3.852 2.618 4.343 26GLY HA1 404 3.902 2.584 4.263 26GLY HA2 405 3.819 2.541 4.397 26GLY C 406 3.732 2.700 4.295 26GLY O 407 3.687 2.687 4.179 27ASN N 408 3.688 2.790 4.383 27ASN H 409 3.731 2.793 4.473 27ASN CA 410 3.581 2.885 4.353 27ASN HA 411 3.500 2.829 4.335 27ASN CB 412 3.546 2.975 4.472 27ASN HB1 413 3.630 3.008 4.516 27ASN HB2 414 3.492 3.053 4.442 27ASN CG 415 3.466 2.889 4.572 27ASN OD1 416 3.349 2.855 4.549 27ASN ND2 417 3.533 2.867 4.684 27ASN HD21 418 3.624 2.905 4.696 27ASN HD22 419 3.492 2.813 4.757 27ASN C 420 3.614 2.963 4.227 27ASN O 421 3.530 2.983 4.139 28TRP N 422 3.732 3.021 4.225 28TRP H 423 3.794 3.004 4.302 28TRP CA 424 3.781 3.109 4.118 28TRP HA 425 3.714 3.181 4.099 28TRP CB 426 3.908 3.176 4.169 28TRP HB1 427 3.976 3.105 4.190 28TRP HB2 428 3.944 3.236 4.097 28TRP CG 429 3.892 3.260 4.292 28TRP CD1 430 3.916 3.224 4.422 28TRP HD1 431 3.947 3.134 4.452 28TRP CD2 432 3.830 3.390 4.296 28TRP NE1 433 3.890 3.331 4.503 28TRP HE1 434 3.912 3.335 4.601 28TRP CE2 435 3.832 3.430 4.431 28TRP CE3 436 3.787 3.479 4.197 28TRP HE3 437 3.793 3.454 4.100 28TRP CZ2 438 3.789 3.556 4.471 28TRP HZ2 439 3.793 3.586 4.566 28TRP CZ3 440 3.738 3.602 4.235 28TRP HZ3 441 3.700 3.665 4.167 28TRP CH2 442 3.741 3.639 4.369 28TRP HH2 443 3.707 3.729 4.395 28TRP C 444 3.792 3.036 3.985 28TRP O 445 3.772 3.094 3.876 29VAL N 446 3.855 2.916 3.993 29VAL H 447 3.891 2.884 4.081 29VAL CA 448 3.871 2.833 3.872 29VAL HA 449 3.915 2.891 3.803 29VAL CB 450 3.963 2.711 3.903 29VAL HB 451 3.926 2.654 3.976 29VAL CG1 452 3.976 2.622 3.781 29VAL HG11 453 4.035 2.544 3.802 29VAL HG12 454 3.886 2.588 3.754 29VAL HG13 455 4.016 2.674 3.705 29VAL CG2 456 4.099 2.767 3.944 29VAL HG21 457 4.161 2.691 3.965 29VAL HG22 458 4.137 2.821 3.869 29VAL HG23 459 4.088 2.825 4.025 29VAL C 460 3.736 2.796 3.810 29VAL O 461 3.715 2.812 3.690 30CYS N 462 3.648 2.753 3.897 30CYS H 463 3.678 2.742 3.992 30CYS CA 464 3.510 2.719 3.866 30CYS HA 465 3.518 2.642 3.803 30CYS CB 466 3.432 2.667 3.984 30CYS HB1 467 3.492 2.598 4.025 30CYS HB2 468 3.425 2.745 4.046 30CYS SG 469 3.270 2.600 3.936 30CYS C 470 3.437 2.834 3.797 30CYS O 471 3.387 2.814 3.684 31ALA N 472 3.451 2.953 3.854 31ALA H 473 3.504 2.960 3.939 31ALA CA 474 3.393 3.075 3.798 31ALA HA 475 3.294 3.059 3.795 31ALA CB 476 3.415 3.195 3.887 31ALA HB1 477 3.373 3.276 3.845 31ALA HB2 478 3.372 3.179 3.976 31ALA HB3 479 3.513 3.211 3.899 31ALA C 480 3.447 3.097 3.655 31ALA O 481 3.365 3.131 3.567 32ALA N 482 3.579 3.097 3.638 32ALA H 483 3.637 3.084 3.719 32ALA CA 484 3.644 3.116 3.509 32ALA HA 485 3.618 3.207 3.477 32ALA CB 486 3.796 3.110 3.527 32ALA HB1 487 3.841 3.122 3.439 32ALA HB2 488 3.825 3.182 3.590 32ALA HB3 489 3.822 3.021 3.565 32ALA C 490 3.592 3.016 3.405 32ALA O 491 3.575 3.048 3.288 33LYS N 492 3.571 2.892 3.448 33LYS H 493 3.589 2.872 3.544 33LYS CA 494 3.524 2.784 3.363 33LYS HA 495 3.595 2.778 3.293 33LYS CB 496 3.520 2.648 3.432 33LYS HB1 497 3.613 2.626 3.460 33LYS HB2 498 3.462 2.657 3.513 33LYS CG 499 3.468 2.532 3.348 33LYS HG1 500 3.468 2.450 3.406 33LYS HG2 501 3.374 2.553 3.321 33LYS CD 502 3.548 2.502 3.222 33LYS HD1 503 3.566 2.587 3.173 33LYS HD2 504 3.634 2.458 3.247 33LYS CE 505 3.467 2.408 3.134 33LYS HE1 506 3.439 2.329 3.188 33LYS HE2 507 3.385 2.457 3.102 33LYS NZ 508 3.540 2.360 3.015 33LYS HZ1 509 3.481 2.299 2.961 33LYS HZ2 510 3.567 2.438 2.958 33LYS HZ3 511 3.622 2.310 3.044 33LYS C 512 3.388 2.818 3.301 33LYS O 513 3.379 2.813 3.178 34PHE N 514 3.295 2.857 3.385 34PHE H 515 3.320 2.875 3.481 34PHE CA 516 3.155 2.874 3.342 34PHE HA 517 3.136 2.814 3.265 34PHE CB 518 3.061 2.829 3.454 34PHE HB1 519 3.089 2.871 3.540 34PHE HB2 520 2.967 2.858 3.432 34PHE CG 521 3.062 2.679 3.470 34PHE CD1 522 3.019 2.597 3.366 34PHE HD1 523 2.976 2.637 3.285 34PHE CD2 524 3.125 2.625 3.582 34PHE HD2 525 3.158 2.685 3.655 34PHE CE1 526 3.035 2.458 3.376 34PHE HE1 527 3.008 2.399 3.300 34PHE CE2 528 3.142 2.486 3.593 34PHE HE2 529 3.191 2.448 3.671 34PHE CZ 530 3.090 2.403 3.493 34PHE HZ 531 3.092 2.303 3.506 34PHE C 532 3.133 3.013 3.283 34PHE O 533 3.048 3.031 3.191 35GLU N 534 3.223 3.103 3.322 35GLU H 535 3.295 3.079 3.387 35GLU CA 536 3.216 3.241 3.267 35GLU HA 537 3.116 3.252 3.267 35GLU CB 538 3.268 3.351 3.356 35GLU HB1 539 3.362 3.327 3.380 35GLU HB2 540 3.267 3.435 3.302 35GLU CG 541 3.197 3.383 3.486 35GLU HG1 542 3.188 3.297 3.536 35GLU HG2 543 3.257 3.445 3.537 35GLU CD 544 3.061 3.447 3.481 35GLU OE1 545 3.039 3.498 3.369 35GLU OE2 546 2.993 3.465 3.580 35GLU C 547 3.264 3.256 3.125 35GLU O 548 3.199 3.313 3.036 36SER N 549 3.385 3.210 3.100 36SER H 550 3.429 3.160 3.174 36SER CA 551 3.461 3.224 2.977 36SER HA 552 3.390 3.260 2.917 36SER CB 553 3.581 3.315 3.002 36SER HB1 554 3.630 3.332 2.916 36SER HB2 555 3.552 3.402 3.041 36SER OG 556 3.673 3.257 3.092 36SER HG 557 3.750 3.319 3.106 36SER C 558 3.512 3.096 2.910 36SER O 559 3.573 3.108 2.803 37ASN N 560 3.494 2.984 2.974 37ASN H 561 3.431 2.984 3.052 37ASN CA 562 3.561 2.859 2.937 37ASN HA 563 3.542 2.791 3.009 37ASN CB 564 3.501 2.811 2.805 37ASN HB1 565 3.404 2.836 2.803 37ASN HB2 566 3.549 2.856 2.730 37ASN CG 567 3.514 2.660 2.789 37ASN OD1 568 3.562 2.589 2.878 37ASN ND2 569 3.485 2.613 2.668 37ASN HD21 570 3.457 2.675 2.595 37ASN HD22 571 3.491 2.514 2.650 37ASN C 572 3.713 2.871 2.937 37ASN O 573 3.779 2.825 2.842 38PHE N 574 3.767 2.950 3.029 38PHE H 575 3.707 2.996 3.094 38PHE CA 576 3.911 2.973 3.039 38PHE HA 577 3.916 3.031 3.121 38PHE CB 578 3.989 2.844 3.062 38PHE HB1 579 3.980 2.787 2.981 38PHE HB2 580 4.086 2.868 3.075 38PHE CG 581 3.947 2.763 3.181 38PHE CD1 582 3.908 2.819 3.301 38PHE HD1 583 3.904 2.919 3.309 38PHE CD2 584 3.949 2.622 3.168 38PHE HD2 585 3.976 2.580 3.082 38PHE CE1 586 3.875 2.743 3.411 38PHE HE1 587 3.846 2.787 3.496 38PHE CE2 588 3.912 2.543 3.278 38PHE HE2 589 3.906 2.444 3.268 38PHE CZ 590 3.882 2.603 3.402 38PHE HZ 591 3.865 2.546 3.483 38PHE C 592 3.970 3.052 2.922 38PHE O 593 4.090 3.041 2.897 39ASN N 594 3.892 3.141 2.864 39ASN H 595 3.800 3.156 2.901 39ASN CA 596 3.932 3.219 2.747 39ASN HA 597 4.022 3.187 2.717 39ASN CB 598 3.839 3.192 2.630 39ASN HB1 599 3.824 3.093 2.625 39ASN HB2 600 3.751 3.237 2.649 39ASN CG 601 3.886 3.239 2.495 39ASN OD1 602 3.956 3.337 2.471 39ASN ND2 603 3.856 3.148 2.402 39ASN HD21 604 3.809 3.064 2.427 39ASN HD22 605 3.881 3.165 2.306 39ASN C 606 3.952 3.365 2.785 39ASN O 607 3.852 3.427 2.825 40THR N 608 4.075 3.411 2.774 40THR H 609 4.146 3.348 2.746 40THR CA 610 4.112 3.549 2.801 40THR HA 611 4.064 3.560 2.888 40THR CB 612 4.266 3.572 2.825 40THR HB 613 4.283 3.658 2.873 40THR OG1 614 4.325 3.578 2.689 40THR HG1 615 4.424 3.592 2.696 40THR CG2 616 4.339 3.474 2.918 40THR HG21 617 4.436 3.499 2.924 40THR HG22 618 4.298 3.477 3.009 40THR HG23 619 4.332 3.381 2.881 40THR C 620 4.048 3.651 2.708 40THR O 621 4.030 3.767 2.746 41GLN N 622 3.998 3.605 2.596 41GLN H 623 3.991 3.506 2.585 41GLN CA 624 3.950 3.691 2.486 41GLN HA 625 3.989 3.781 2.508 41GLN CB 626 4.003 3.644 2.350 41GLN HB1 627 3.981 3.547 2.339 41GLN HB2 628 3.958 3.696 2.278 41GLN CG 629 4.153 3.662 2.339 41GLN HG1 630 4.193 3.676 2.430 41GLN HG2 631 4.195 3.583 2.295 41GLN CD 632 4.174 3.786 2.254 41GLN OE1 633 4.134 3.793 2.138 41GLN NE2 634 4.226 3.885 2.325 41GLN HE21 635 4.245 3.872 2.422 41GLN HE22 636 4.245 3.973 2.281 41GLN C 637 3.797 3.700 2.480 41GLN O 638 3.748 3.764 2.383 42ALA N 639 3.731 3.626 2.566 42ALA H 640 3.781 3.574 2.635 42ALA CA 641 3.584 3.620 2.561 42ALA HA 642 3.559 3.588 2.469 42ALA CB 643 3.533 3.522 2.667 42ALA HB1 644 3.434 3.518 2.664 42ALA HB2 645 3.571 3.431 2.650 42ALA HB3 646 3.563 3.554 2.758 42ALA C 647 3.524 3.759 2.586 42ALA O 648 3.562 3.831 2.679 43THR N 649 3.426 3.791 2.503 43THR H 650 3.408 3.731 2.425 43THR CA 651 3.342 3.911 2.519 43THR HA 652 3.361 3.936 2.615 43THR CB 653 3.379 4.035 2.430 43THR HB 654 3.324 4.115 2.450 43THR OG1 655 3.353 3.994 2.291 43THR HG1 656 3.376 4.070 2.230 43THR CG2 657 3.523 4.083 2.449 43THR HG21 658 3.540 4.162 2.389 43THR HG22 659 3.536 4.110 2.544 43THR HG23 660 3.586 4.010 2.426 43THR C 661 3.196 3.873 2.496 43THR O 662 3.170 3.789 2.408 44ASN N 663 3.107 3.936 2.570 44ASN H 664 3.139 4.003 2.638 44ASN CA 665 2.962 3.912 2.556 44ASN HA 666 2.946 3.872 2.466 44ASN CB 667 2.914 3.810 2.659 44ASN HB1 668 2.956 3.722 2.640 44ASN HB2 669 2.940 3.841 2.750 44ASN CG 670 2.763 3.794 2.655 44ASN OD1 671 2.711 3.734 2.559 44ASN ND2 672 2.689 3.855 2.748 44ASN HD21 673 2.733 3.910 2.819 44ASN HD22 674 2.589 3.845 2.747 44ASN C 675 2.888 4.046 2.571 44ASN O 676 2.915 4.122 2.664 45ARG N 677 2.804 4.074 2.475 45ARG H 678 2.790 4.005 2.403 45ARG CA 679 2.728 4.198 2.465 45ARG HA 680 2.782 4.268 2.513 45ARG CB 681 2.712 4.246 2.321 45ARG HB1 682 2.798 4.288 2.290 45ARG HB2 683 2.691 4.167 2.262 45ARG CG 684 2.599 4.348 2.311 45ARG HG1 685 2.575 4.364 2.216 45ARG HG2 686 2.519 4.315 2.360 45ARG CD 687 2.648 4.475 2.374 45ARG HD1 688 2.572 4.535 2.399 45ARG HD2 689 2.704 4.457 2.455 45ARG NE 690 2.729 4.538 2.269 45ARG HE 691 2.829 4.542 2.274 45ARG CZ 692 2.660 4.589 2.165 45ARG NH1 693 2.527 4.595 2.157 45ARG HH11 694 2.471 4.560 2.232 45ARG HH12 695 2.483 4.635 2.076 45ARG NH2 696 2.735 4.632 2.064 45ARG HH21 697 2.835 4.624 2.069 45ARG HH22 698 2.692 4.671 1.983 45ARG C 699 2.594 4.178 2.534 45ARG O 700 2.538 4.068 2.524 46ASN N 701 2.553 4.279 2.612 46ASN H 702 2.608 4.362 2.617 46ASN CA 703 2.428 4.269 2.689 46ASN HA 704 2.393 4.177 2.675 46ASN CB 705 2.456 4.285 2.837 46ASN HB1 706 2.493 4.377 2.852 46ASN HB2 707 2.368 4.276 2.886 46ASN CG 708 2.552 4.186 2.899 46ASN OD1 709 2.664 4.228 2.932 46ASN ND2 710 2.510 4.060 2.907 46ASN HD21 711 2.420 4.035 2.873 46ASN HD22 712 2.570 3.990 2.947 46ASN C 713 2.324 4.368 2.636 46ASN O 714 2.360 4.472 2.579 47THR N 715 2.201 4.345 2.678 47THR H 716 2.186 4.267 2.739 47THR CA 717 2.085 4.427 2.642 47THR HA 718 2.092 4.428 2.543 47THR CB 719 1.948 4.364 2.688 47THR HB 720 1.867 4.407 2.649 47THR OG1 721 1.949 4.382 2.833 47THR HG1 722 1.865 4.344 2.871 47THR CG2 723 1.931 4.217 2.648 47THR HG21 724 1.842 4.184 2.680 47THR HG22 725 1.936 4.209 2.549 47THR HG23 726 2.004 4.163 2.690 47THR C 727 2.098 4.573 2.686 47THR O 728 2.058 4.659 2.606 48ASP N 729 2.161 4.600 2.799 48ASP H 730 2.193 4.522 2.853 48ASP CA 731 2.186 4.734 2.850 48ASP HA 732 2.102 4.778 2.820 48ASP CB 733 2.200 4.735 3.003 48ASP HB1 734 2.192 4.830 3.035 48ASP HB2 735 2.127 4.680 3.043 48ASP CG 736 2.335 4.679 3.050 48ASP OD1 737 2.408 4.622 2.968 48ASP OD2 738 2.373 4.706 3.166 48ASP C 739 2.299 4.813 2.785 48ASP O 740 2.323 4.924 2.836 49GLY N 741 2.363 4.764 2.681 49GLY H 742 2.335 4.674 2.646 49GLY CA 743 2.472 4.832 2.612 49GLY HA1 744 2.463 4.812 2.515 49GLY HA2 745 2.459 4.930 2.628 49GLY C 746 2.613 4.794 2.657 49GLY O 747 2.715 4.831 2.598 50SER N 748 2.615 4.728 2.774 50SER H 749 2.529 4.708 2.819 50SER CA 750 2.742 4.685 2.839 50SER HA 751 2.808 4.757 2.825 50SER CB 752 2.725 4.671 2.989 50SER HB1 753 2.814 4.663 3.033 50SER HB2 754 2.676 4.750 3.026 50SER OG 755 2.651 4.555 3.021 50SER HG 756 2.641 4.548 3.120 50SER C 757 2.796 4.558 2.773 50SER O 758 2.725 4.488 2.697 51THR N 759 2.925 4.539 2.794 51THR H 760 2.977 4.608 2.843 51THR CA 761 2.995 4.418 2.747 51THR HA 762 2.927 4.351 2.716 51THR CB 763 3.088 4.453 2.625 51THR HB 764 3.160 4.519 2.648 51THR OG1 765 3.008 4.520 2.526 51THR HG1 766 3.065 4.543 2.447 51THR CG2 767 3.167 4.332 2.572 51THR HG21 768 3.224 4.360 2.495 51THR HG22 769 3.224 4.295 2.645 51THR HG23 770 3.102 4.262 2.541 51THR C 771 3.070 4.359 2.867 51THR O 772 3.114 4.433 2.955 52ASP N 773 3.069 4.227 2.874 52ASP H 774 3.010 4.176 2.812 52ASP CA 775 3.151 4.152 2.971 52ASP HA 776 3.168 4.210 3.050 52ASP CB 777 3.075 4.027 3.012 52ASP HB1 778 3.063 3.968 2.932 52ASP HB2 779 3.127 3.978 3.082 52ASP CG 780 2.938 4.061 3.067 52ASP OD1 781 2.920 4.155 3.143 52ASP OD2 782 2.850 3.976 3.045 52ASP C 783 3.282 4.111 2.904 52ASP O 784 3.283 4.069 2.786 53TYR N 785 3.390 4.135 2.976 53TYR H 786 3.379 4.164 3.072 53TYR CA 787 3.526 4.122 2.922 53TYR HA 788 3.508 4.087 2.830 53TYR CB 789 3.597 4.259 2.918 53TYR HB1 790 3.591 4.301 3.009 53TYR HB2 791 3.693 4.244 2.895 53TYR CG 792 3.542 4.358 2.818 53TYR CD1 793 3.582 4.362 2.685 53TYR HD1 794 3.652 4.298 2.653 53TYR CD2 795 3.449 4.453 2.862 53TYR HD2 796 3.425 4.456 2.959 53TYR CE1 797 3.527 4.454 2.595 53TYR HE1 798 3.554 4.454 2.499 53TYR CE2 799 3.389 4.542 2.774 53TYR HE2 800 3.315 4.602 2.805 53TYR CZ 801 3.434 4.547 2.642 53TYR OH 802 3.384 4.642 2.558 53TYR HH 803 3.319 4.700 2.607 53TYR C 804 3.614 4.021 2.996 53TYR O 805 3.627 4.023 3.118 54GLY N 806 3.673 3.934 2.918 54GLY H 807 3.640 3.928 2.824 54GLY CA 808 3.783 3.845 2.955 54GLY HA1 809 3.825 3.815 2.869 54GLY HA2 810 3.848 3.901 3.006 54GLY C 811 3.748 3.722 3.038 54GLY O 812 3.632 3.678 3.041 55ILE N 813 3.854 3.671 3.099 55ILE H 814 3.941 3.720 3.097 55ILE CA 815 3.843 3.541 3.168 55ILE HA 816 3.803 3.480 3.100 55ILE CB 817 3.987 3.496 3.211 55ILE HB 818 4.059 3.510 3.143 55ILE CG1 819 3.977 3.343 3.235 55ILE HG11 820 3.934 3.329 3.325 55ILE HG12 821 3.917 3.305 3.164 55ILE CG2 822 4.038 3.583 3.328 55ILE HG21 823 4.129 3.553 3.355 55ILE HG22 824 4.041 3.679 3.300 55ILE HG23 825 3.976 3.573 3.406 55ILE CD 826 4.108 3.264 3.233 55ILE HD1 827 4.089 3.167 3.250 55ILE HD2 828 4.152 3.274 3.144 55ILE HD3 829 4.169 3.299 3.304 55ILE C 830 3.740 3.537 3.280 55ILE O 831 3.675 3.432 3.298 56LEU N 832 3.720 3.650 3.343 56LEU H 833 3.776 3.730 3.321 56LEU CA 834 3.615 3.662 3.447 56LEU HA 835 3.576 3.571 3.460 56LEU CB 836 3.680 3.704 3.579 56LEU HB1 837 3.737 3.785 3.562 56LEU HB2 838 3.606 3.729 3.643 56LEU CG 839 3.767 3.597 3.647 56LEU HG 840 3.839 3.561 3.587 56LEU CD1 841 3.831 3.662 3.768 56LEU HD11 842 3.889 3.595 3.815 56LEU HD12 843 3.887 3.739 3.739 56LEU HD13 844 3.760 3.693 3.830 56LEU CD2 845 3.679 3.480 3.686 56LEU HD21 846 3.735 3.409 3.730 56LEU HD22 847 3.609 3.511 3.750 56LEU HD23 848 3.635 3.442 3.605 56LEU C 849 3.496 3.746 3.401 56LEU O 850 3.414 3.773 3.490 57GLN N 851 3.484 3.772 3.272 57GLN H 852 3.558 3.746 3.210 57GLN CA 853 3.365 3.840 3.220 57GLN HA 854 3.388 3.877 3.130 57GLN CB 855 3.250 3.738 3.212 57GLN HB1 856 3.246 3.687 3.298 57GLN HB2 857 3.164 3.787 3.198 57GLN CG 858 3.271 3.641 3.097 57GLN HG1 859 3.361 3.598 3.108 57GLN HG2 860 3.200 3.571 3.101 57GLN CD 861 3.266 3.706 2.960 57GLN OE1 862 3.155 3.722 2.908 57GLN NE2 863 3.379 3.742 2.902 57GLN HE21 864 3.467 3.727 2.948 57GLN HE22 865 3.377 3.785 2.812 57GLN C 866 3.326 3.956 3.311 57GLN O 867 3.210 3.965 3.358 58ILE N 868 3.414 4.053 3.324 58ILE H 869 3.503 4.043 3.278 58ILE CA 870 3.391 4.174 3.402 58ILE HA 871 3.331 4.148 3.478 58ILE CB 872 3.528 4.228 3.454 58ILE HB 873 3.598 4.230 3.382 58ILE CG1 874 3.573 4.134 3.569 58ILE HG11 875 3.518 4.153 3.650 58ILE HG12 876 3.560 4.039 3.540 58ILE CG2 877 3.516 4.376 3.498 58ILE HG21 878 3.605 4.408 3.530 58ILE HG22 879 3.486 4.431 3.420 58ILE HG23 880 3.449 4.383 3.571 58ILE CD 881 3.723 4.157 3.603 58ILE HD1 882 3.750 4.096 3.677 58ILE HD2 883 3.779 4.139 3.522 58ILE HD3 884 3.736 4.252 3.632 58ILE C 885 3.318 4.278 3.317 58ILE O 886 3.353 4.303 3.200 59ASN N 887 3.213 4.329 3.377 59ASN H 888 3.199 4.310 3.474 59ASN CA 889 3.113 4.413 3.308 59ASN HA 890 3.108 4.381 3.213 59ASN CB 891 2.978 4.393 3.379 59ASN HB1 892 2.959 4.295 3.383 59ASN HB2 893 2.985 4.430 3.471 59ASN CG 894 2.863 4.461 3.308 59ASN OD1 895 2.844 4.579 3.343 59ASN ND2 896 2.814 4.394 3.206 59ASN HD21 897 2.852 4.306 3.180 59ASN HD22 898 2.737 4.432 3.154 59ASN C 899 3.153 4.559 3.294 59ASN O 900 3.190 4.623 3.393 60SER N 901 3.125 4.610 3.173 60SER H 902 3.083 4.552 3.103 60SER CA 903 3.155 4.753 3.142 60SER HA 904 3.244 4.762 3.187 60SER CB 905 3.162 4.776 2.992 60SER HB1 906 3.195 4.869 2.974 60SER HB2 907 3.225 4.710 2.951 60SER OG 908 3.041 4.763 2.923 60SER HG 909 3.057 4.780 2.825 60SER C 910 3.067 4.861 3.203 60SER O 911 3.103 4.980 3.190 61ARG N 912 2.951 4.828 3.253 61ARG H 913 2.918 4.734 3.244 61ARG CA 914 2.867 4.927 3.324 61ARG HA 915 2.867 5.005 3.261 61ARG CB 916 2.725 4.882 3.342 61ARG HB1 917 2.695 4.835 3.258 61ARG HB2 918 2.722 4.817 3.418 61ARG CG 919 2.630 4.997 3.371 61ARG HG1 920 2.665 5.056 3.443 61ARG HG2 921 2.612 5.051 3.289 61ARG CD 922 2.504 4.928 3.417 61ARG HD1 923 2.464 4.875 3.341 61ARG HD2 924 2.525 4.866 3.493 61ARG NE 925 2.408 5.027 3.461 61ARG HE 926 2.439 5.117 3.494 61ARG CZ 927 2.277 4.997 3.456 61ARG NH1 928 2.242 4.888 3.389 61ARG HH11 929 2.312 4.832 3.344 61ARG HH12 930 2.146 4.862 3.383 61ARG NH2 931 2.191 5.087 3.502 61ARG HH21 932 2.223 5.174 3.539 61ARG HH22 933 2.092 5.067 3.500 61ARG C 934 2.926 4.973 3.456 61ARG O 935 2.926 5.095 3.479 62TRP N 936 2.975 4.882 3.540 62TRP H 937 2.975 4.786 3.512 62TRP CA 938 3.030 4.918 3.670 62TRP HA 939 2.993 5.011 3.680 62TRP CB 940 2.981 4.823 3.780 62TRP HB1 941 3.028 4.735 3.770 62TRP HB2 942 3.003 4.862 3.870 62TRP CG 943 2.834 4.798 3.777 62TRP CD1 944 2.770 4.687 3.731 62TRP HD1 945 2.815 4.602 3.704 62TRP CD2 946 2.731 4.892 3.810 62TRP NE1 947 2.634 4.708 3.728 62TRP HE1 948 2.566 4.642 3.695 62TRP CE2 949 2.607 4.832 3.777 62TRP CE3 950 2.731 5.020 3.864 62TRP HE3 951 2.817 5.066 3.886 62TRP CZ2 952 2.485 4.895 3.798 62TRP HZ2 953 2.399 4.849 3.777 62TRP CZ3 954 2.610 5.083 3.886 62TRP HZ3 955 2.608 5.173 3.929 62TRP CH2 956 2.489 5.023 3.848 62TRP HH2 957 2.403 5.074 3.859 62TRP C 958 3.183 4.926 3.677 62TRP O 959 3.230 5.002 3.764 63TRP N 960 3.252 4.835 3.609 63TRP H 961 3.207 4.788 3.533 63TRP CA 962 3.389 4.802 3.639 63TRP HA 963 3.391 4.868 3.714 63TRP CB 964 3.405 4.654 3.678 63TRP HB1 965 3.399 4.598 3.596 63TRP HB2 966 3.494 4.641 3.721 63TRP CG 967 3.302 4.605 3.774 63TRP CD1 968 3.194 4.524 3.745 63TRP HD1 969 3.171 4.490 3.653 63TRP CD2 970 3.290 4.635 3.912 63TRP NE1 971 3.122 4.496 3.857 63TRP HE1 972 3.045 4.434 3.863 63TRP CE2 973 3.174 4.569 3.960 63TRP CE3 974 3.367 4.710 3.999 63TRP HE3 975 3.450 4.756 3.967 63TRP CZ2 976 3.137 4.575 4.095 63TRP HZ2 977 3.057 4.526 4.129 63TRP CZ3 978 3.328 4.721 4.132 63TRP HZ3 979 3.381 4.778 4.195 63TRP CH2 980 3.216 4.653 4.179 63TRP HH2 981 3.191 4.661 4.275 63TRP C 982 3.507 4.854 3.562 63TRP O 983 3.612 4.880 3.624 64CYS N 984 3.494 4.853 3.432 64CYS H 985 3.410 4.815 3.393 64CYS CA 986 3.596 4.905 3.340 64CYS HA 987 3.664 4.956 3.393 64CYS CB 988 3.662 4.788 3.268 64CYS HB1 989 3.734 4.832 3.214 64CYS HB2 990 3.703 4.736 3.342 64CYS SG 991 3.554 4.685 3.166 64CYS C 992 3.530 4.998 3.238 64CYS O 993 3.408 4.993 3.220 65ASN N 994 3.614 5.079 3.176 65ASN H 995 3.711 5.074 3.198 65ASN CA 996 3.568 5.175 3.075 65ASN HA 997 3.469 5.182 3.089 65ASN CB 998 3.636 5.311 3.096 65ASN HB1 999 3.611 5.349 3.185 65ASN HB2 1000 3.735 5.301 3.091 65ASN CG 1001 3.589 5.404 2.985 65ASN OD1 1002 3.472 5.418 2.953 65ASN ND2 1003 3.689 5.456 2.914 65ASN HD21 1004 3.784 5.432 2.937 65ASN HD22 1005 3.671 5.518 2.839 65ASN C 1006 3.596 5.127 2.933 65ASN O 1007 3.711 5.094 2.902 66ASP N 1008 3.490 5.110 2.855 66ASP H 1009 3.398 5.119 2.894 66ASP CA 1010 3.508 5.080 2.712 66ASP HA 1011 3.607 5.071 2.700 66ASP CB 1012 3.444 4.948 2.678 66ASP HB1 1013 3.472 4.923 2.585 66ASP HB2 1014 3.477 4.879 2.742 66ASP CG 1015 3.293 4.952 2.684 66ASP OD1 1016 3.227 5.052 2.713 66ASP OD2 1017 3.243 4.839 2.662 66ASP C 1018 3.464 5.194 2.621 66ASP O 1019 3.470 5.176 2.500 67GLY N 1020 3.421 5.303 2.681 67GLY H 1021 3.417 5.303 2.781 67GLY CA 1022 3.380 5.423 2.609 67GLY HA1 1023 3.369 5.494 2.678 67GLY HA2 1024 3.455 5.446 2.548 67GLY C 1025 3.252 5.417 2.527 67GLY O 1026 3.217 5.516 2.461 68ARG N 1027 3.180 5.306 2.532 68ARG H 1028 3.212 5.230 2.588 68ARG CA 1029 3.054 5.293 2.458 68ARG HA 1030 3.031 5.387 2.432 68ARG CB 1031 3.073 5.207 2.333 68ARG HB1 1032 2.986 5.202 2.284 68ARG HB2 1033 3.142 5.249 2.274 68ARG CG 1034 3.118 5.067 2.372 68ARG HG1 1035 3.201 5.073 2.427 68ARG HG2 1036 3.046 5.023 2.426 68ARG CD 1037 3.146 4.981 2.255 68ARG HD1 1038 3.150 5.037 2.172 68ARG HD2 1039 3.233 4.933 2.267 68ARG NE 1040 3.042 4.882 2.239 68ARG HE 1041 3.064 4.793 2.278 68ARG CZ 1042 2.922 4.888 2.182 68ARG NH1 1043 2.848 4.993 2.152 68ARG HH11 1044 2.882 5.085 2.174 68ARG HH12 1045 2.759 4.981 2.109 68ARG NH2 1046 2.888 4.775 2.117 68ARG HH21 1047 2.950 4.697 2.116 68ARG HH22 1048 2.799 4.769 2.071 68ARG C 1049 2.940 5.238 2.543 68ARG O 1050 2.837 5.200 2.488 69THR N 1051 2.957 5.252 2.672 69THR H 1052 3.040 5.297 2.705 69THR CA 1053 2.859 5.203 2.770 69THR HA 1054 2.791 5.157 2.712 69THR CB 1055 2.919 5.100 2.876 69THR HB 1056 2.989 5.137 2.937 69THR OG1 1057 2.983 4.995 2.795 69THR HG1 1058 3.023 4.927 2.856 69THR CG2 1059 2.810 5.048 2.971 69THR HG21 1060 2.851 4.984 3.037 69THR HG22 1061 2.770 5.125 3.021 69THR HG23 1062 2.739 5.001 2.919 69THR C 1063 2.797 5.322 2.845 69THR O 1064 2.866 5.386 2.924 70PRO N 1065 2.667 5.336 2.825 70PRO CA 1066 2.593 5.444 2.894 70PRO HA 1067 2.634 5.535 2.881 70PRO CB 1068 2.454 5.437 2.834 70PRO HB1 1069 2.393 5.382 2.891 70PRO HB2 1070 2.415 5.528 2.822 70PRO CG 1071 2.474 5.371 2.700 70PRO HG1 1072 2.390 5.324 2.671 70PRO HG2 1073 2.499 5.439 2.631 70PRO CD 1074 2.587 5.271 2.721 70PRO HD1 1075 2.553 5.183 2.752 70PRO HD2 1076 2.641 5.259 2.638 70PRO C 1077 2.594 5.414 3.043 70PRO O 1078 2.572 5.298 3.078 71GLY N 1079 2.614 5.511 3.127 71GLY H 1080 2.634 5.601 3.088 71GLY CA 1081 2.612 5.500 3.272 71GLY HA1 1082 2.604 5.593 3.308 71GLY HA2 1083 2.529 5.449 3.295 71GLY C 1084 2.731 5.433 3.338 71GLY O 1085 2.724 5.388 3.454 72SER N 1086 2.840 5.425 3.265 72SER H 1087 2.838 5.466 3.174 72SER CA 1088 2.964 5.360 3.308 72SER HA 1089 2.948 5.263 3.328 72SER CB 1090 3.064 5.362 3.193 72SER HB1 1091 3.043 5.288 3.129 72SER HB2 1092 3.058 5.450 3.146 72SER OG 1093 3.200 5.345 3.233 72SER HG 1094 3.258 5.348 3.152 72SER C 1095 3.012 5.420 3.439 72SER O 1096 3.003 5.544 3.454 73ARG N 1097 3.063 5.339 3.530 73ARG H 1098 3.059 5.241 3.511 73ARG CA 1099 3.123 5.382 3.656 73ARG HA 1100 3.101 5.479 3.646 73ARG CB 1101 3.059 5.317 3.780 73ARG HB1 1102 3.059 5.218 3.767 73ARG HB2 1103 3.116 5.340 3.859 73ARG CG 1104 2.917 5.360 3.811 73ARG HG1 1105 2.864 5.369 3.726 73ARG HG2 1106 2.873 5.293 3.871 73ARG CD 1107 2.919 5.492 3.879 73ARG HD1 1108 2.981 5.486 3.958 73ARG HD2 1109 2.953 5.560 3.815 73ARG NE 1110 2.791 5.539 3.929 73ARG HE 1111 2.772 5.532 4.027 73ARG CZ 1112 2.696 5.592 3.849 73ARG NH1 1113 2.682 5.555 3.721 73ARG HH11 1114 2.743 5.487 3.682 73ARG HH12 1115 2.611 5.597 3.665 73ARG NH2 1116 2.655 5.717 3.882 73ARG HH21 1117 2.695 5.763 3.960 73ARG HH22 1118 2.585 5.762 3.827 73ARG C 1119 3.275 5.368 3.670 73ARG O 1120 3.341 5.437 3.752 74ASN N 1121 3.333 5.276 3.596 74ASN H 1122 3.274 5.223 3.535 74ASN CA 1123 3.476 5.245 3.598 74ASN HA 1124 3.485 5.155 3.556 74ASN CB 1125 3.555 5.341 3.508 74ASN HB1 1126 3.505 5.351 3.422 74ASN HB2 1127 3.560 5.429 3.554 74ASN CG 1128 3.696 5.295 3.476 74ASN OD1 1129 3.730 5.179 3.502 74ASN ND2 1130 3.782 5.381 3.423 74ASN HD21 1131 3.753 5.475 3.405 74ASN HD22 1132 3.875 5.352 3.402 74ASN C 1133 3.530 5.234 3.740 74ASN O 1134 3.624 5.309 3.773 75LEU N 1135 3.470 5.148 3.821 75LEU H 1136 3.394 5.093 3.787 75LEU CA 1137 3.513 5.131 3.960 75LEU HA 1138 3.530 5.223 3.995 75LEU CB 1139 3.399 5.067 4.040 75LEU HB1 1140 3.366 4.987 3.990 75LEU HB2 1141 3.435 5.039 4.129 75LEU CG 1142 3.280 5.162 4.065 75LEU HG 1143 3.260 5.214 3.982 75LEU CD1 1144 3.155 5.081 4.101 75LEU HD11 1145 3.079 5.144 4.116 75LEU HD12 1146 3.133 5.019 4.025 75LEU HD13 1147 3.173 5.028 4.184 75LEU CD2 1148 3.314 5.259 4.178 75LEU HD21 1149 3.236 5.320 4.194 75LEU HD22 1150 3.333 5.207 4.261 75LEU HD23 1151 3.394 5.313 4.153 75LEU C 1152 3.650 5.063 3.975 75LEU O 1153 3.715 5.082 4.081 76CYS N 1154 3.695 4.993 3.873 76CYS H 1155 3.639 4.983 3.791 76CYS CA 1156 3.828 4.930 3.878 76CYS HA 1157 3.839 4.916 3.976 76CYS CB 1158 3.838 4.792 3.815 76CYS HB1 1159 3.798 4.805 3.724 76CYS HB2 1160 3.936 4.777 3.806 76CYS SG 1161 3.757 4.658 3.903 76CYS C 1162 3.937 5.022 3.826 76CYS O 1163 4.055 4.985 3.824 77ASN N 1164 3.894 5.130 3.764 77ASN H 1165 3.796 5.142 3.756 77ASN CA 1166 3.981 5.235 3.707 77ASN HA 1167 3.920 5.300 3.662 77ASN CB 1168 4.057 5.311 3.815 77ASN HB1 1169 3.995 5.329 3.892 77ASN HB2 1170 4.134 5.255 3.847 77ASN CG 1171 4.111 5.443 3.763 77ASN OD1 1172 4.033 5.521 3.707 77ASN ND2 1173 4.241 5.463 3.772 77ASN HD21 1174 4.300 5.393 3.812 77ASN HD22 1175 4.281 5.549 3.738 77ASN C 1176 4.069 5.178 3.597 77ASN O 1177 4.193 5.195 3.598 78ILE N 1178 4.013 5.103 3.505 78ILE H 1179 3.914 5.087 3.510 78ILE CA 1180 4.088 5.040 3.396 78ILE HA 1181 4.172 5.094 3.387 78ILE CB 1182 4.116 4.888 3.429 78ILE HB 1183 4.142 4.837 3.346 78ILE CG1 1184 3.986 4.826 3.482 78ILE HG11 1185 3.962 4.874 3.566 78ILE HG12 1186 3.915 4.841 3.413 78ILE CG2 1187 4.242 4.862 3.515 78ILE HG21 1188 4.252 4.764 3.531 78ILE HG22 1189 4.322 4.897 3.467 78ILE HG23 1190 4.232 4.910 3.602 78ILE CD 1191 3.992 4.674 3.512 78ILE HD1 1192 3.903 4.644 3.546 78ILE HD2 1193 4.014 4.624 3.429 78ILE HD3 1194 4.062 4.656 3.582 78ILE C 1195 4.008 5.047 3.266 78ILE O 1196 3.884 5.031 3.270 79PRO N 1197 4.081 5.041 3.156 79PRO CA 1198 4.017 5.025 3.025 79PRO HA 1199 3.939 5.085 3.009 79PRO CB 1200 4.124 5.059 2.923 79PRO HB1 1201 4.128 4.988 2.852 79PRO HB2 1202 4.105 5.147 2.880 79PRO CG 1203 4.253 5.065 2.996 79PRO HG1 1204 4.309 4.986 2.971 79PRO HG2 1205 4.302 5.149 2.971 79PRO CD 1206 4.226 5.064 3.146 79PRO HD1 1207 4.275 4.991 3.191 79PRO HD2 1208 4.250 5.152 3.187 79PRO C 1209 3.977 4.877 3.022 79PRO O 1210 4.056 4.789 3.067 80CYS N 1211 3.861 4.853 2.964 80CYS H 1212 3.804 4.929 2.933 80CYS CA 1213 3.815 4.714 2.943 80CYS HA 1214 3.812 4.682 3.038 80CYS CB 1215 3.673 4.696 2.892 80CYS HB1 1216 3.676 4.731 2.799 80CYS HB2 1217 3.661 4.597 2.890 80CYS SG 1218 3.545 4.778 2.991 80CYS C 1219 3.913 4.634 2.860 80CYS O 1220 3.919 4.510 2.879 81SER N 1221 3.975 4.691 2.759 81SER H 1222 3.951 4.786 2.739 81SER CA 1223 4.076 4.629 2.674 81SER HA 1224 4.022 4.560 2.626 81SER CB 1225 4.136 4.726 2.572 81SER HB1 1226 4.204 4.681 2.514 81SER HB2 1227 4.065 4.768 2.514 81SER OG 1228 4.201 4.830 2.644 81SER HG 1229 4.242 4.895 2.579 81SER C 1230 4.189 4.565 2.756 81SER O 1231 4.232 4.456 2.711 82ALA N 1232 4.221 4.619 2.872 82ALA H 1233 4.174 4.702 2.903 82ALA CA 1234 4.325 4.558 2.956 82ALA HA 1235 4.402 4.542 2.894 82ALA CB 1236 4.370 4.655 3.065 82ALA HB1 1237 4.441 4.612 3.121 82ALA HB2 1238 4.407 4.738 3.023 82ALA HB3 1239 4.292 4.679 3.123 82ALA C 1240 4.285 4.422 3.013 82ALA O 1241 4.368 4.342 3.059 83LEU N 1242 4.155 4.396 3.015 83LEU H 1243 4.093 4.467 2.981 83LEU CA 1244 4.095 4.271 3.063 83LEU HA 1245 4.152 4.234 3.136 83LEU CB 1246 3.960 4.304 3.124 83LEU HB1 1247 3.904 4.344 3.051 83LEU HB2 1248 3.919 4.218 3.153 83LEU CG 1249 3.949 4.398 3.243 83LEU HG 1250 3.991 4.484 3.213 83LEU CD1 1251 3.802 4.419 3.281 83LEU HD11 1252 3.797 4.481 3.360 83LEU HD12 1253 3.752 4.459 3.204 83LEU HD13 1254 3.761 4.331 3.306 83LEU CD2 1255 4.026 4.349 3.365 83LEU HD21 1256 4.015 4.415 3.440 83LEU HD22 1257 3.990 4.260 3.393 83LEU HD23 1258 4.123 4.340 3.342 83LEU C 1259 4.104 4.158 2.962 83LEU O 1260 4.065 4.044 2.993 84LEU N 1261 4.145 4.189 2.840 84LEU H 1262 4.168 4.284 2.821 84LEU CA 1263 4.159 4.092 2.732 84LEU HA 1264 4.111 4.010 2.765 84LEU CB 1265 4.089 4.141 2.606 84LEU HB1 1266 4.140 4.222 2.575 84LEU HB2 1267 4.098 4.069 2.537 84LEU CG 1268 3.943 4.180 2.610 84LEU HG 1269 3.931 4.247 2.683 84LEU CD1 1270 3.899 4.239 2.475 84LEU HD11 1271 3.803 4.264 2.480 84LEU HD12 1272 3.954 4.320 2.455 84LEU HD13 1273 3.913 4.171 2.403 84LEU CD2 1274 3.858 4.056 2.634 84LEU HD21 1275 3.761 4.082 2.637 84LEU HD22 1276 3.873 3.991 2.560 84LEU HD23 1277 3.884 4.015 2.721 84LEU C 1278 4.303 4.046 2.710 84LEU O 1279 4.331 3.986 2.605 85SER N 1280 4.392 4.082 2.799 85SER H 1281 4.364 4.142 2.874 85SER CA 1282 4.532 4.037 2.794 85SER HA 1283 4.565 4.060 2.703 85SER CB 1284 4.609 4.110 2.904 85SER HB1 1285 4.595 4.209 2.899 85SER HB2 1286 4.583 4.077 2.995 85SER OG 1287 4.746 4.083 2.884 85SER HG 1288 4.800 4.130 2.954 85SER C 1289 4.545 3.886 2.817 85SER O 1290 4.474 3.826 2.899 86SER N 1291 4.660 3.836 2.773 86SER H 1292 4.722 3.895 2.721 86SER CA 1293 4.699 3.696 2.797 86SER HA 1294 4.618 3.642 2.777 86SER CB 1295 4.809 3.649 2.702 86SER HB1 1296 4.861 3.725 2.664 86SER HB2 1297 4.871 3.584 2.746 86SER OG 1298 4.738 3.583 2.598 86SER HG 1299 4.803 3.549 2.530 86SER C 1300 4.737 3.677 2.944 86SER O 1301 4.729 3.567 3.000 87ASP N 1302 4.783 3.786 3.000 87ASP H 1303 4.788 3.868 2.942 87ASP CA 1304 4.826 3.801 3.140 87ASP HA 1305 4.874 3.720 3.173 87ASP CB 1306 4.920 3.923 3.146 87ASP HB1 1307 4.999 3.902 3.088 87ASP HB2 1308 4.871 4.001 3.108 87ASP CG 1309 4.974 3.966 3.280 87ASP OD1 1310 4.932 3.932 3.393 87ASP OD2 1311 5.077 4.042 3.274 87ASP C 1312 4.698 3.828 3.220 87ASP O 1313 4.647 3.938 3.196 88ILE N 1314 4.671 3.747 3.321 88ILE H 1315 4.732 3.671 3.343 88ILE CA 1316 4.549 3.771 3.401 88ILE HA 1317 4.491 3.812 3.332 88ILE CB 1318 4.497 3.636 3.462 88ILE HB 1319 4.412 3.650 3.513 88ILE CG1 1320 4.590 3.582 3.574 88ILE HG11 1321 4.665 3.535 3.528 88ILE HG12 1322 4.625 3.662 3.622 88ILE CG2 1323 4.457 3.536 3.351 88ILE HG21 1324 4.424 3.451 3.392 88ILE HG22 1325 4.384 3.577 3.295 88ILE HG23 1326 4.536 3.517 3.293 88ILE CD 1327 4.534 3.485 3.681 88ILE HD1 1328 4.607 3.460 3.745 88ILE HD2 1329 4.460 3.529 3.731 88ILE HD3 1330 4.500 3.402 3.636 88ILE C 1331 4.556 3.876 3.511 88ILE O 1332 4.458 3.893 3.587 89THR N 1333 4.672 3.941 3.530 89THR H 1334 4.749 3.920 3.470 89THR CA 1335 4.689 4.039 3.636 89THR HA 1336 4.689 3.977 3.715 89THR CB 1337 4.825 4.121 3.625 89THR HB 1338 4.833 4.178 3.543 89THR OG1 1339 4.932 4.021 3.616 89THR HG1 1340 5.020 4.068 3.608 89THR CG2 1341 4.840 4.217 3.744 89THR HG21 1342 4.926 4.268 3.735 89THR HG22 1343 4.763 4.281 3.745 89THR HG23 1344 4.841 4.165 3.829 89THR C 1345 4.572 4.138 3.651 89THR O 1346 4.532 4.160 3.767 90ALA N 1347 4.549 4.210 3.543 90ALA H 1348 4.601 4.192 3.460 90ALA CA 1349 4.446 4.317 3.543 90ALA HA 1350 4.479 4.386 3.608 90ALA CB 1351 4.435 4.383 3.405 90ALA HB1 1352 4.365 4.455 3.408 90ALA HB2 1353 4.523 4.423 3.380 90ALA HB3 1354 4.409 4.314 3.337 90ALA C 1355 4.310 4.269 3.594 90ALA O 1356 4.235 4.329 3.674 91SER N 1357 4.273 4.154 3.537 91SER H 1358 4.335 4.112 3.471 91SER CA 1359 4.147 4.084 3.565 91SER HA 1360 4.076 4.149 3.541 91SER CB 1361 4.126 3.965 3.475 91SER HB1 1362 4.208 3.908 3.476 91SER HB2 1363 4.048 3.912 3.508 91SER OG 1364 4.100 3.995 3.341 91SER HG 1365 4.087 3.911 3.290 91SER C 1366 4.141 4.044 3.714 91SER O 1367 4.039 4.068 3.778 92VAL N 1368 4.248 3.983 3.762 92VAL H 1369 4.324 3.962 3.701 92VAL CA 1370 4.257 3.947 3.905 92VAL HA 1371 4.179 3.888 3.925 92VAL CB 1372 4.387 3.866 3.932 92VAL HB 1373 4.468 3.908 3.891 92VAL CG1 1374 4.411 3.861 4.082 92VAL HG11 1375 4.494 3.809 4.101 92VAL HG12 1376 4.420 3.954 4.117 92VAL HG13 1377 4.333 3.816 4.127 92VAL CG2 1378 4.376 3.729 3.868 92VAL HG21 1379 4.459 3.677 3.886 92VAL HG22 1380 4.297 3.681 3.907 92VAL HG23 1381 4.363 3.739 3.770 92VAL C 1382 4.246 4.073 3.993 92VAL O 1383 4.170 4.064 4.091 93ASN N 1384 4.318 4.178 3.958 93ASN H 1385 4.376 4.173 3.877 93ASN CA 1386 4.314 4.303 4.035 93ASN HA 1387 4.344 4.268 4.124 93ASN CB 1388 4.415 4.409 3.992 93ASN HB1 1389 4.411 4.419 3.892 93ASN HB2 1390 4.392 4.496 4.035 93ASN CG 1391 4.556 4.370 4.031 93ASN OD1 1392 4.653 4.429 3.979 93ASN ND2 1393 4.569 4.281 4.130 93ASN HD21 1394 4.488 4.243 4.174 93ASN HD22 1395 4.660 4.252 4.160 93ASN C 1396 4.173 4.365 4.047 93ASN O 1397 4.134 4.401 4.158 94CYS N 1398 4.108 4.362 3.934 94CYS H 1399 4.152 4.328 3.851 94CYS CA 1400 3.967 4.407 3.930 94CYS HA 1401 3.961 4.494 3.979 94CYS CB 1402 3.927 4.432 3.786 94CYS HB1 1403 3.998 4.493 3.749 94CYS HB2 1404 3.933 4.343 3.741 94CYS SG 1405 3.762 4.505 3.772 94CYS C 1406 3.876 4.315 4.009 94CYS O 1407 3.795 4.365 4.091 95ALA N 1408 3.892 4.185 3.993 95ALA H 1409 3.963 4.153 3.930 95ALA CA 1410 3.811 4.085 4.064 95ALA HA 1411 3.720 4.109 4.031 95ALA CB 1412 3.848 3.941 4.028 95ALA HB1 1413 3.789 3.879 4.079 95ALA HB2 1414 3.834 3.927 3.930 95ALA HB3 1415 3.943 3.924 4.052 95ALA C 1416 3.822 4.095 4.216 95ALA O 1417 3.720 4.080 4.285 96LYS N 1418 3.940 4.125 4.266 96LYS H 1419 4.019 4.128 4.204 96LYS CA 1420 3.961 4.153 4.409 96LYS HA 1421 3.928 4.070 4.453 96LYS CB 1422 4.108 4.173 4.444 96LYS HB1 1423 4.148 4.239 4.380 96LYS HB2 1424 4.114 4.209 4.538 96LYS CG 1425 4.185 4.041 4.437 96LYS HG1 1426 4.154 3.979 4.509 96LYS HG2 1427 4.170 3.999 4.348 96LYS CD 1428 4.334 4.069 4.455 96LYS HD1 1429 4.365 4.125 4.378 96LYS HD2 1430 4.346 4.120 4.540 96LYS CE 1431 4.418 3.944 4.461 96LYS HE1 1432 4.388 3.885 4.536 96LYS HE2 1433 4.412 3.893 4.375 96LYS NZ 1434 4.559 3.986 4.484 96LYS HZ1 1435 4.618 3.906 4.488 96LYS HZ2 1436 4.589 4.045 4.409 96LYS HZ3 1437 4.565 4.037 4.570 96LYS C 1438 3.878 4.274 4.458 96LYS O 1439 3.828 4.263 4.570 97LYS N 1440 3.864 4.372 4.372 97LYS H 1441 3.911 4.368 4.284 97LYS CA 1442 3.779 4.488 4.405 97LYS HA 1443 3.806 4.513 4.498 97LYS CB 1444 3.807 4.608 4.314 97LYS HB1 1445 3.787 4.581 4.220 97LYS HB2 1446 3.747 4.683 4.341 97LYS CG 1447 3.952 4.655 4.323 97LYS HG1 1448 3.970 4.685 4.417 97LYS HG2 1449 4.012 4.578 4.301 97LYS CD 1450 3.982 4.769 4.228 97LYS HD1 1451 3.946 4.747 4.137 97LYS HD2 1452 3.939 4.853 4.262 97LYS CE 1453 4.132 4.791 4.218 97LYS HE1 1454 4.171 4.803 4.309 97LYS HE2 1455 4.175 4.713 4.173 97LYS NZ 1456 4.155 4.914 4.138 97LYS HZ1 1457 4.253 4.931 4.130 97LYS HZ2 1458 4.115 4.903 4.047 97LYS HZ3 1459 4.111 4.992 4.183 97LYS C 1460 3.631 4.452 4.406 97LYS O 1461 3.555 4.494 4.494 98ILE N 1462 3.588 4.375 4.309 98ILE H 1463 3.654 4.343 4.241 98ILE CA 1464 3.450 4.331 4.294 98ILE HA 1465 3.397 4.416 4.296 98ILE CB 1466 3.429 4.262 4.157 98ILE HB 1467 3.494 4.187 4.149 98ILE CG1 1468 3.462 4.353 4.037 98ILE HG11 1469 3.396 4.427 4.036 98ILE HG12 1470 3.554 4.391 4.052 98ILE CG2 1471 3.287 4.201 4.149 98ILE HG21 1472 3.274 4.156 4.060 98ILE HG22 1473 3.275 4.133 4.222 98ILE HG23 1474 3.219 4.273 4.159 98ILE CD 1475 3.460 4.282 3.899 98ILE HD1 1476 3.483 4.348 3.828 98ILE HD2 1477 3.527 4.208 3.899 98ILE HD3 1478 3.369 4.245 3.882 98ILE C 1479 3.401 4.249 4.412 98ILE O 1480 3.304 4.287 4.480 99VAL N 1481 3.486 4.159 4.458 99VAL H 1482 3.578 4.155 4.421 99VAL CA 1483 3.447 4.063 4.563 99VAL HA 1484 3.353 4.032 4.546 99VAL CB 1485 3.538 3.939 4.553 99VAL HB 1486 3.542 3.909 4.458 99VAL CG1 1487 3.679 3.976 4.595 99VAL HG11 1488 3.738 3.895 4.588 99VAL HG12 1489 3.714 4.047 4.535 99VAL HG13 1490 3.678 4.009 4.689 99VAL CG2 1491 3.481 3.821 4.630 99VAL HG21 1492 3.543 3.743 4.622 99VAL HG22 1493 3.472 3.846 4.727 99VAL HG23 1494 3.392 3.797 4.593 99VAL C 1495 3.441 4.132 4.699 99VAL O 1496 3.372 4.083 4.790 100SER N 1497 3.519 4.237 4.708 100SER H 1498 3.572 4.265 4.629 100SER CA 1499 3.528 4.315 4.832 100SER HA 1500 3.521 4.252 4.910 100SER CB 1501 3.663 4.381 4.839 100SER HB1 1502 3.678 4.436 4.757 100SER HB2 1503 3.667 4.440 4.920 100SER OG 1504 3.769 4.288 4.849 100SER HG 1505 3.856 4.338 4.853 100SER C 1506 3.410 4.412 4.843 100SER O 1507 3.398 4.475 4.949 101ASP N 1508 3.329 4.422 4.742 101ASP H 1509 3.347 4.363 4.664 101ASP CA 1510 3.214 4.511 4.732 101ASP HA 1511 3.255 4.590 4.779 101ASP CB 1512 3.179 4.547 4.588 101ASP HB1 1513 3.258 4.527 4.530 101ASP HB2 1514 3.101 4.491 4.559 101ASP CG 1515 3.141 4.694 4.568 101ASP OD1 1516 3.223 4.784 4.594 101ASP OD2 1517 3.026 4.714 4.522 101ASP C 1518 3.090 4.480 4.815 101ASP O 1519 3.011 4.576 4.835 102GLY N 1520 3.070 4.356 4.856 102GLY H 1521 3.129 4.282 4.823 102GLY CA 1522 2.960 4.328 4.949 102GLY HA1 1523 3.000 4.317 5.040 102GLY HA2 1524 2.899 4.407 4.949 102GLY C 1525 2.879 4.203 4.917 102GLY O 1526 2.817 4.152 5.013 103ASN N 1527 2.878 4.162 4.791 103ASN H 1528 2.928 4.215 4.722 103ASN CA 1529 2.806 4.042 4.752 103ASN HA 1530 2.755 4.018 4.834 103ASN CB 1531 2.696 4.067 4.649 103ASN HB1 1532 2.672 4.164 4.651 103ASN HB2 1533 2.731 4.043 4.559 103ASN CG 1534 2.569 3.987 4.673 103ASN OD1 1535 2.549 3.920 4.777 103ASN ND2 1536 2.465 4.005 4.591 103ASN HD21 1537 2.472 4.070 4.516 103ASN HD22 1538 2.381 3.953 4.605 103ASN C 1539 2.897 3.922 4.727 103ASN O 1540 2.845 3.820 4.679 104GLY N 1541 3.022 3.933 4.767 104GLY H 1542 3.054 4.019 4.807 104GLY CA 1543 3.116 3.819 4.753 104GLY HA1 1544 3.207 3.847 4.781 104GLY HA2 1545 3.085 3.744 4.811 104GLY C 1546 3.115 3.776 4.606 104GLY O 1547 3.113 3.866 4.521 105MET N 1548 3.116 3.647 4.578 105MET H 1549 3.111 3.580 4.653 105MET CA 1550 3.126 3.599 4.439 105MET HA 1551 3.179 3.668 4.391 105MET CB 1552 3.202 3.467 4.430 105MET HB1 1553 3.165 3.404 4.499 105MET HB2 1554 3.188 3.428 4.339 105MET CG 1555 3.350 3.484 4.454 105MET HG1 1556 3.378 3.560 4.395 105MET HG2 1557 3.359 3.511 4.550 105MET SD 1558 3.436 3.328 4.416 105MET CE 1559 3.435 3.333 4.237 105MET HE1 1560 3.480 3.251 4.202 105MET HE2 1561 3.340 3.335 4.205 105MET HE3 1562 3.484 3.414 4.206 105MET C 1563 2.990 3.593 4.373 105MET O 1564 2.988 3.554 4.254 106ASN N 1565 2.888 3.646 4.441 106ASN H 1566 2.901 3.681 4.533 106ASN CA 1567 2.754 3.652 4.377 106ASN HA 1568 2.736 3.559 4.344 106ASN CB 1569 2.640 3.677 4.475 106ASN HB1 1570 2.663 3.756 4.533 106ASN HB2 1571 2.556 3.696 4.425 106ASN CG 1572 2.619 3.556 4.564 106ASN OD1 1573 2.582 3.449 4.511 106ASN ND2 1574 2.652 3.567 4.693 106ASN HD21 1575 2.690 3.653 4.727 106ASN HD22 1576 2.640 3.489 4.754 106ASN C 1577 2.755 3.745 4.256 106ASN O 1578 2.666 3.737 4.169 107ALA N 1579 2.860 3.827 4.247 107ALA H 1580 2.926 3.829 4.322 107ALA CA 1581 2.880 3.913 4.130 107ALA HA 1582 2.796 3.967 4.123 107ALA CB 1583 3.004 3.999 4.155 107ALA HB1 1584 3.019 4.059 4.076 107ALA HB2 1585 2.990 4.055 4.237 107ALA HB3 1586 3.084 3.940 4.168 107ALA C 1587 2.899 3.836 4.000 107ALA O 1588 2.871 3.891 3.893 108TRP N 1589 2.935 3.708 4.010 108TRP H 1590 2.952 3.669 4.101 108TRP CA 1591 2.951 3.624 3.891 108TRP HA 1592 2.956 3.685 3.812 108TRP CB 1593 3.082 3.545 3.901 108TRP HB1 1594 3.093 3.508 3.993 108TRP HB2 1595 3.081 3.469 3.835 108TRP CG 1596 3.198 3.636 3.870 108TRP CD1 1597 3.234 3.685 3.747 108TRP HD1 1598 3.190 3.662 3.660 108TRP CD2 1599 3.278 3.706 3.966 108TRP NE1 1600 3.339 3.772 3.762 108TRP HE1 1601 3.387 3.818 3.687 108TRP CE2 1602 3.369 3.786 3.894 108TRP CE3 1603 3.281 3.705 4.105 108TRP HE3 1604 3.217 3.649 4.157 108TRP CZ2 1605 3.466 3.860 3.959 108TRP HZ2 1606 3.533 3.914 3.907 108TRP CZ3 1607 3.375 3.782 4.170 108TRP HZ3 1608 3.378 3.784 4.270 108TRP CH2 1609 3.467 3.858 4.097 108TRP HH2 1610 3.535 3.912 4.146 108TRP C 1611 2.830 3.531 3.878 108TRP O 1612 2.822 3.444 3.966 109VAL N 1613 2.747 3.554 3.777 109VAL H 1614 2.766 3.625 3.709 109VAL CA 1615 2.625 3.472 3.769 109VAL HA 1616 2.585 3.480 3.861 109VAL CB 1617 2.513 3.528 3.681 109VAL HB 1618 2.488 3.616 3.723 109VAL CG1 1619 2.559 3.553 3.539 109VAL HG11 1620 2.483 3.589 3.485 109VAL HG12 1621 2.634 3.618 3.539 109VAL HG13 1622 2.589 3.466 3.498 109VAL CG2 1623 2.388 3.440 3.681 109VAL HG21 1624 2.319 3.482 3.622 109VAL HG22 1625 2.412 3.350 3.646 109VAL HG23 1626 2.352 3.432 3.774 109VAL C 1627 2.655 3.323 3.755 109VAL O 1628 2.590 3.243 3.826 110ALA N 1629 2.754 3.293 3.674 110ALA H 1630 2.805 3.368 3.632 110ALA CA 1631 2.795 3.155 3.643 110ALA HA 1632 2.710 3.111 3.615 110ALA CB 1633 2.884 3.140 3.521 110ALA HB1 1634 2.906 3.043 3.509 110ALA HB2 1635 2.836 3.174 3.441 110ALA HB3 1636 2.968 3.192 3.535 110ALA C 1637 2.848 3.086 3.768 110ALA O 1638 2.818 2.967 3.784 111TRP N 1639 2.910 3.160 3.856 111TRP H 1640 2.929 3.256 3.833 111TRP CA 1641 2.953 3.112 3.987 111TRP HA 1642 3.009 3.031 3.967 111TRP CB 1643 3.047 3.207 4.060 111TRP HB1 1644 3.130 3.220 4.006 111TRP HB2 1645 3.001 3.295 4.073 111TRP CG 1646 3.084 3.152 4.192 111TRP CD1 1647 3.184 3.060 4.216 111TRP HD1 1648 3.247 3.025 4.146 111TRP CD2 1649 3.018 3.171 4.317 111TRP NE1 1650 3.183 3.021 4.348 111TRP HE1 1651 3.248 2.958 4.391 111TRP CE2 1652 3.078 3.084 4.410 111TRP CE3 1653 2.916 3.258 4.358 111TRP HE3 1654 2.871 3.318 4.292 111TRP CZ2 1655 3.047 3.090 4.545 111TRP HZ2 1656 3.099 3.038 4.613 111TRP CZ3 1657 2.880 3.257 4.491 111TRP HZ3 1658 2.807 3.319 4.522 111TRP CH2 1659 2.942 3.173 4.583 111TRP HH2 1660 2.911 3.172 4.678 111TRP C 1661 2.832 3.070 4.072 111TRP O 1662 2.826 2.961 4.131 112ARG N 1663 2.742 3.166 4.090 112ARG H 1664 2.760 3.256 4.052 112ARG CA 1665 2.617 3.145 4.162 112ARG HA 1666 2.648 3.135 4.257 112ARG CB 1667 2.519 3.261 4.161 112ARG HB1 1668 2.471 3.255 4.074 112ARG HB2 1669 2.455 3.243 4.236 112ARG CG 1670 2.557 3.406 4.176 112ARG HG1 1671 2.609 3.418 4.261 112ARG HG2 1672 2.614 3.433 4.098 112ARG CD 1673 2.435 3.492 4.180 112ARG HD1 1674 2.366 3.447 4.237 112ARG HD2 1675 2.458 3.580 4.221 112ARG NE 1676 2.376 3.517 4.051 112ARG HE 1677 2.328 3.440 4.008 112ARG CZ 1678 2.377 3.632 3.981 112ARG NH1 1679 2.458 3.734 4.005 112ARG HH11 1680 2.524 3.729 4.080 112ARG HH12 1681 2.452 3.816 3.949 112ARG NH2 1682 2.270 3.663 3.907 112ARG HH21 1683 2.191 3.601 3.904 112ARG HH22 1684 2.269 3.748 3.854 112ARG C 1685 2.545 3.021 4.106 112ARG O 1686 2.498 2.941 4.189 113ASN N 1687 2.529 3.014 3.974 113ASN H 1688 2.574 3.081 3.915 113ASN CA 1689 2.444 2.908 3.916 113ASN HA 1690 2.364 2.909 3.975 113ASN CB 1691 2.395 2.940 3.775 113ASN HB1 1692 2.474 2.961 3.718 113ASN HB2 1693 2.348 2.859 3.740 113ASN CG 1694 2.298 3.058 3.769 113ASN OD1 1695 2.243 3.096 3.873 113ASN ND2 1696 2.282 3.118 3.651 113ASN HD21 1697 2.332 3.084 3.571 113ASN HD22 1698 2.220 3.195 3.643 113ASN C 1699 2.509 2.770 3.926 113ASN O 1700 2.443 2.667 3.948 114ARG N 1701 2.638 2.766 3.902 114ARG H 1702 2.689 2.852 3.907 114ARG CA 1703 2.714 2.646 3.871 114ARG HA 1704 2.647 2.573 3.888 114ARG CB 1705 2.760 2.653 3.725 114ARG HB1 1706 2.796 2.744 3.704 114ARG HB2 1707 2.832 2.585 3.708 114ARG CG 1708 2.638 2.623 3.637 114ARG HG1 1709 2.592 2.541 3.670 114ARG HG2 1710 2.574 2.700 3.642 114ARG CD 1711 2.671 2.602 3.494 114ARG HD1 1712 2.745 2.535 3.486 114ARG HD2 1713 2.591 2.568 3.445 114ARG NE 1714 2.713 2.730 3.437 114ARG HE 1715 2.770 2.790 3.493 114ARG CZ 1716 2.681 2.770 3.313 114ARG NH1 1717 2.636 2.685 3.221 114ARG HH11 1718 2.626 2.588 3.244 114ARG HH12 1719 2.612 2.717 3.130 114ARG NH2 1720 2.671 2.901 3.287 114ARG HH21 1721 2.689 2.968 3.360 114ARG HH22 1722 2.647 2.932 3.196 114ARG C 1723 2.824 2.606 3.966 114ARG O 1724 2.849 2.484 3.977 115CYS N 1725 2.872 2.699 4.044 115CYS H 1726 2.835 2.792 4.041 115CYS CA 1727 2.982 2.666 4.138 115CYS HA 1728 3.010 2.572 4.119 115CYS CB 1729 3.097 2.764 4.110 115CYS HB1 1730 3.061 2.853 4.136 115CYS HB2 1731 3.170 2.737 4.173 115CYS SG 1732 3.154 2.763 3.941 115CYS C 1733 2.943 2.655 4.283 115CYS O 1734 2.995 2.574 4.361 116LYS N 1735 2.869 2.754 4.329 116LYS H 1736 2.837 2.822 4.264 116LYS CA 1737 2.831 2.771 4.470 116LYS HA 1738 2.913 2.781 4.527 116LYS CB 1739 2.747 2.898 4.480 116LYS HB1 1740 2.805 2.977 4.458 116LYS HB2 1741 2.672 2.893 4.414 116LYS CG 1742 2.691 2.913 4.622 116LYS HG1 1743 2.661 2.824 4.655 116LYS HG2 1744 2.763 2.948 4.682 116LYS CD 1745 2.572 3.010 4.622 116LYS HD1 1746 2.586 3.080 4.552 116LYS HD2 1747 2.488 2.960 4.604 116LYS CE 1748 2.564 3.077 4.759 116LYS HE1 1749 2.560 3.006 4.830 116LYS HE2 1750 2.645 3.134 4.773 116LYS NZ 1751 2.443 3.163 4.772 116LYS HZ1 1752 2.442 3.205 4.863 116LYS HZ2 1753 2.446 3.235 4.702 116LYS HZ3 1754 2.361 3.108 4.759 116LYS C 1755 2.761 2.644 4.519 116LYS O 1756 2.680 2.585 4.446 117GLY N 1757 2.813 2.594 4.631 117GLY H 1758 2.893 2.637 4.672 117GLY CA 1759 2.754 2.475 4.694 117GLY HA1 1760 2.776 2.479 4.791 117GLY HA2 1761 2.655 2.481 4.682 117GLY C 1762 2.800 2.340 4.640 117GLY O 1763 2.748 2.235 4.683 118THR N 1764 2.887 2.342 4.541 118THR H 1765 2.915 2.431 4.503 118THR CA 1766 2.945 2.220 4.484 118THR HA 1767 2.887 2.144 4.515 118THR CB 1768 2.942 2.219 4.327 118THR HB 1769 2.955 2.128 4.286 118THR OG1 1770 3.054 2.302 4.283 118THR HG1 1771 3.056 2.305 4.183 118THR CG2 1772 2.808 2.272 4.274 118THR HG21 1773 2.808 2.271 4.174 118THR HG22 1774 2.733 2.215 4.308 118THR HG23 1775 2.794 2.366 4.306 118THR C 1776 3.085 2.200 4.543 118THR O 1777 3.130 2.274 4.632 119ASP N 1778 3.137 2.083 4.510 119ASP H 1779 3.080 2.018 4.460 119ASP CA 1780 3.275 2.045 4.543 119ASP HA 1781 3.294 2.075 4.636 119ASP CB 1782 3.291 1.893 4.541 119ASP HB1 1783 3.227 1.853 4.606 119ASP HB2 1784 3.272 1.859 4.449 119ASP CG 1785 3.433 1.852 4.579 119ASP OD1 1786 3.503 1.925 4.650 119ASP OD2 1787 3.470 1.737 4.547 119ASP C 1788 3.369 2.116 4.445 119ASP O 1789 3.416 2.057 4.345 120VAL N 1790 3.397 2.241 4.476 120VAL H 1791 3.354 2.280 4.558 120VAL CA 1792 3.487 2.326 4.398 120VAL HA 1793 3.454 2.308 4.305 120VAL CB 1794 3.470 2.475 4.430 120VAL HB 1795 3.538 2.527 4.377 120VAL CG1 1796 3.334 2.527 4.385 120VAL HG11 1797 3.326 2.625 4.408 120VAL HG12 1798 3.324 2.515 4.287 120VAL HG13 1799 3.261 2.477 4.432 120VAL CG2 1800 3.507 2.510 4.572 120VAL HG21 1801 3.494 2.608 4.587 120VAL HG22 1802 3.448 2.459 4.635 120VAL HG23 1803 3.602 2.486 4.589 120VAL C 1804 3.632 2.282 4.397 120VAL O 1805 3.708 2.322 4.308 121GLN N 1806 3.668 2.205 4.498 121GLN H 1807 3.603 2.190 4.572 121GLN CA 1808 3.800 2.140 4.506 121GLN HA 1809 3.869 2.213 4.501 121GLN CB 1810 3.807 2.067 4.640 121GLN HB1 1811 3.754 2.117 4.709 121GLN HB2 1812 3.770 1.974 4.630 121GLN CG 1813 3.951 2.058 4.684 121GLN HG1 1814 3.993 1.977 4.643 121GLN HG2 1815 4.000 2.140 4.653 121GLN CD 1816 3.960 2.050 4.834 121GLN OE1 1817 4.035 2.125 4.895 121GLN NE2 1818 3.886 1.949 4.882 121GLN HE21 1819 3.835 1.891 4.819 121GLN HE22 1820 3.883 1.932 4.981 121GLN C 1821 3.830 2.048 4.388 121GLN O 1822 3.946 2.029 4.349 122ALA N 1823 3.728 1.989 4.325 122ALA H 1824 3.638 1.995 4.368 122ALA CA 1825 3.737 1.917 4.198 122ALA HA 1826 3.786 1.833 4.223 122ALA CB 1827 3.598 1.886 4.145 122ALA HB1 1828 3.605 1.837 4.059 122ALA HB2 1829 3.549 1.830 4.212 122ALA HB3 1830 3.548 1.972 4.131 122ALA C 1831 3.817 1.991 4.090 122ALA O 1832 3.901 1.933 4.019 123TRP N 1833 3.800 2.124 4.091 123TRP H 1834 3.739 2.164 4.159 123TRP CA 1835 3.868 2.212 3.995 123TRP HA 1836 3.856 2.168 3.906 123TRP CB 1837 3.801 2.349 4.002 123TRP HB1 1838 3.799 2.382 4.096 123TRP HB2 1839 3.850 2.414 3.944 123TRP CG 1840 3.660 2.335 3.952 123TRP CD1 1841 3.546 2.323 4.026 123TRP HD1 1842 3.543 2.324 4.126 123TRP CD2 1843 3.622 2.317 3.815 123TRP NE1 1844 3.438 2.308 3.944 123TRP HE1 1845 3.343 2.303 3.975 123TRP CE2 1846 3.481 2.301 3.815 123TRP CE3 1847 3.693 2.309 3.695 123TRP HE3 1848 3.793 2.313 3.694 123TRP CZ2 1849 3.409 2.280 3.698 123TRP HZ2 1850 3.310 2.270 3.699 123TRP CZ3 1851 3.620 2.295 3.578 123TRP HZ3 1852 3.668 2.299 3.491 123TRP CH2 1853 3.481 2.275 3.580 123TRP HH2 1854 3.434 2.256 3.494 123TRP C 1855 4.020 2.220 4.006 123TRP O 1856 4.089 2.256 3.908 124ILE N 1857 4.072 2.189 4.122 124ILE H 1858 4.011 2.163 4.197 124ILE CA 1859 4.217 2.191 4.147 124ILE HA 1860 4.255 2.213 4.057 124ILE CB 1861 4.248 2.302 4.253 124ILE HB 1862 4.347 2.312 4.266 124ILE CG1 1863 4.194 2.260 4.390 124ILE HG11 1864 4.101 2.297 4.398 124ILE HG12 1865 4.190 2.160 4.392 124ILE CG2 1866 4.200 2.442 4.206 124ILE HG21 1867 4.222 2.511 4.276 124ILE HG22 1868 4.247 2.466 4.120 124ILE HG23 1869 4.102 2.440 4.191 124ILE CD 1870 4.271 2.306 4.516 124ILE HD1 1871 4.225 2.272 4.598 124ILE HD2 1872 4.364 2.269 4.513 124ILE HD3 1873 4.274 2.406 4.519 124ILE C 1874 4.284 2.058 4.169 124ILE O 1875 4.408 2.051 4.180 125ARG N 1876 4.206 1.952 4.180 125ARG H 1877 4.107 1.965 4.175 125ARG CA 1878 4.257 1.815 4.199 125ARG HA 1879 4.320 1.818 4.277 125ARG CB 1880 4.146 1.717 4.232 125ARG HB1 1881 4.065 1.741 4.178 125ARG HB2 1882 4.176 1.625 4.208 125ARG CG 1883 4.110 1.722 4.382 125ARG HG1 1884 4.193 1.720 4.437 125ARG HG2 1885 4.058 1.805 4.402 125ARG CD 1886 4.026 1.601 4.415 125ARG HD1 1887 3.979 1.568 4.333 125ARG HD2 1888 4.083 1.529 4.453 125ARG NE 1889 3.926 1.637 4.514 125ARG HE 1890 3.961 1.646 4.607 125ARG CZ 1891 3.796 1.661 4.500 125ARG NH1 1892 3.731 1.631 4.388 125ARG HH11 1893 3.781 1.589 4.311 125ARG HH12 1894 3.634 1.650 4.380 125ARG NH2 1895 3.737 1.717 4.606 125ARG HH21 1896 3.791 1.737 4.688 125ARG HH22 1897 3.639 1.738 4.604 125ARG C 1898 4.329 1.773 4.071 125ARG O 1899 4.282 1.796 3.958 126GLY N 1900 4.448 1.719 4.091 126GLY H 1901 4.484 1.712 4.184 126GLY CA 1902 4.527 1.668 3.977 126GLY HA1 1903 4.572 1.583 4.005 126GLY HA2 1904 4.465 1.649 3.901 126GLY C 1905 4.631 1.769 3.933 126GLY O 1906 4.720 1.735 3.852 127CYS N 1907 4.632 1.884 3.997 127CYS H 1908 4.567 1.897 4.072 127CYS CA 1909 4.721 1.995 3.963 127CYS HA 1910 4.756 1.979 3.871 127CYS CB 1911 4.643 2.125 3.966 127CYS HB1 1912 4.619 2.133 4.063 127CYS HB2 1913 4.713 2.193 3.944 127CYS SG 1914 4.499 2.144 3.861 127CYS C 1915 4.840 2.000 4.060 127CYS O 1916 4.819 1.989 4.181 128ARG N 1917 4.957 2.031 4.006 128ARG H 1918 4.964 2.037 3.907 128ARG CA 1919 5.075 2.058 4.089 128ARG HA 1920 5.064 2.009 4.175 128ARG CB 1921 5.203 1.992 4.038 128ARG HB1 1922 5.198 1.987 3.938 128ARG HB2 1923 5.281 2.049 4.065 128ARG CG 1924 5.221 1.851 4.095 128ARG HG1 1925 5.132 1.805 4.101 128ARG HG2 1926 5.282 1.798 4.035 128ARG CD 1927 5.281 1.853 4.232 128ARG HD1 1928 5.233 1.921 4.288 128ARG HD2 1929 5.272 1.763 4.274 128ARG NE 1930 5.423 1.888 4.231 128ARG HE 1931 5.481 1.830 4.174 128ARG CZ 1932 5.484 1.988 4.295 128ARG NH1 1933 5.422 2.069 4.382 128ARG HH11 1934 5.325 2.056 4.401 128ARG HH12 1935 5.473 2.142 4.428 128ARG NH2 1936 5.611 2.017 4.264 128ARG HH21 1937 5.659 1.965 4.194 128ARG HH22 1938 5.658 2.092 4.312 128ARG C 1939 5.080 2.206 4.125 128ARG O 1940 5.096 2.291 4.036 129LEU N 1941 5.027 2.233 4.244 129LEU H 1942 4.999 2.157 4.302 129LEU CA 1943 5.007 2.370 4.294 129LEU HA 1944 5.026 2.434 4.219 129LEU CB 1945 4.862 2.396 4.332 129LEU HB1 1946 4.823 2.308 4.360 129LEU HB2 1947 4.861 2.458 4.409 129LEU CG 1948 4.767 2.454 4.229 129LEU HG 1949 4.768 2.553 4.239 129LEU CD1 1950 4.809 2.428 4.086 129LEU HD11 1951 4.743 2.469 4.024 129LEU HD12 1952 4.899 2.468 4.070 129LEU HD13 1953 4.814 2.329 4.070 129LEU CD2 1954 4.629 2.394 4.256 129LEU HD21 1955 4.564 2.431 4.189 129LEU HD22 1956 4.633 2.295 4.247 129LEU HD23 1957 4.600 2.419 4.348 129LEU C 1958 5.110 2.400 4.404 129LEU O1 1959 5.071 2.390 4.523 129LEU O2 1960 5.221 2.430 4.358 130HOH OW 1961 3.241 5.168 3.001 130HOH HW1 1962 3.323 5.168 3.059 130HOH HW2 1963 3.160 5.168 3.059 131HOH OW 1964 4.097 3.804 3.062 131HOH HW1 1965 4.179 3.804 3.120 131HOH HW2 1966 4.097 3.885 3.005 132HOH OW 1967 3.923 2.496 4.646 132HOH HW1 1968 4.005 2.496 4.703 132HOH HW2 1969 3.923 2.414 4.588 133HOH OW 1970 3.136 5.395 2.850 133HOH HW1 1971 3.055 5.395 2.908 133HOH HW2 1972 3.136 5.477 2.793 134HOH OW 1973 3.822 3.924 3.300 134HOH HW1 1974 3.740 3.924 3.358 134HOH HW2 1975 3.822 3.842 3.242 135HOH OW 1976 3.844 4.938 2.618 135HOH HW1 1977 3.844 5.020 2.560 135HOH HW2 1978 3.844 4.856 2.560 136HOH OW 1979 2.979 4.793 2.559 136HOH HW1 1980 3.060 4.793 2.617 136HOH HW2 1981 2.897 4.793 2.617 137HOH OW 1982 5.030 2.947 3.529 137HOH HW1 1983 5.111 2.947 3.587 137HOH HW2 1984 5.030 3.029 3.471 138HOH OW 1985 4.368 4.068 3.263 138HOH HW1 1986 4.449 4.068 3.321 138HOH HW2 1987 4.368 3.986 3.205 139HOH OW 1988 3.585 2.892 5.017 139HOH HW1 1989 3.503 2.892 5.074 139HOH HW2 1990 3.585 2.973 4.959 140HOH OW 1991 4.111 2.267 3.085 140HOH HW1 1992 4.029 2.267 3.143 140HOH HW2 1993 4.111 2.185 3.028 141HOH OW 1994 3.245 5.166 3.430 141HOH HW1 1995 3.245 5.248 3.372 141HOH HW2 1996 3.245 5.084 3.372 142HOH OW 1997 3.037 5.714 2.563 142HOH HW1 1998 3.119 5.714 2.621 142HOH HW2 1999 2.955 5.714 2.621 143HOH OW 2000 4.347 3.820 3.093 143HOH HW1 2001 4.429 3.820 3.151 143HOH HW2 2002 4.347 3.901 3.035 144HOH OW 2003 2.540 4.576 3.314 144HOH HW1 2004 2.622 4.576 3.372 144HOH HW2 2005 2.540 4.494 3.257 145HOH OW 2006 3.035 4.155 4.562 145HOH HW1 2007 2.954 4.155 4.619 145HOH HW2 2008 3.035 4.236 4.504 146HOH OW 2009 5.003 2.416 3.666 146HOH HW1 2010 4.921 2.416 3.724 146HOH HW2 2011 5.003 2.334 3.608 147HOH OW 2012 4.177 4.731 3.923 147HOH HW1 2013 4.177 4.812 3.865 147HOH HW2 2014 4.177 4.649 3.865 148HOH OW 2015 5.863 2.058 4.301 148HOH HW1 2016 5.944 2.058 4.359 148HOH HW2 2017 5.781 2.058 4.359 149HOH OW 2018 2.343 4.652 2.333 149HOH HW1 2019 2.425 4.652 2.391 149HOH HW2 2020 2.343 4.734 2.275 150HOH OW 2021 3.191 2.246 4.071 150HOH HW1 2022 3.273 2.246 4.129 150HOH HW2 2023 3.191 2.164 4.014 151HOH OW 2024 2.499 3.011 3.447 151HOH HW1 2025 2.418 3.011 3.505 151HOH HW2 2026 2.499 3.093 3.389 152HOH OW 2027 2.111 3.321 3.971 152HOH HW1 2028 2.029 3.321 4.029 152HOH HW2 2029 2.111 3.239 3.914 153HOH OW 2030 2.466 5.054 3.086 153HOH HW1 2031 2.466 5.136 3.028 153HOH HW2 2032 2.466 4.973 3.028 154HOH OW 2033 1.963 3.585 4.010 154HOH HW1 2034 2.045 3.585 4.068 154HOH HW2 2035 1.882 3.585 4.068 155HOH OW 2036 5.305 2.960 3.952 155HOH HW1 2037 5.387 2.960 4.010 155HOH HW2 2038 5.305 3.041 3.894 156HOH OW 2039 4.101 2.470 2.856 156HOH HW1 2040 4.183 2.470 2.914 156HOH HW2 2041 4.101 2.388 2.798 157HOH OW 2042 4.540 3.123 5.184 157HOH HW1 2043 4.459 3.123 5.242 157HOH HW2 2044 4.540 3.205 5.127 158HOH OW 2045 4.692 4.212 3.298 158HOH HW1 2046 4.610 4.212 3.356 158HOH HW2 2047 4.692 4.131 3.241 159HOH OW 2048 3.969 5.436 3.038 159HOH HW1 2049 3.969 5.518 2.980 159HOH HW2 2050 3.969 5.354 2.980 160HOH OW 2051 3.290 5.599 2.902 160HOH HW1 2052 3.372 5.599 2.959 160HOH HW2 2053 3.209 5.599 2.959 161HOH OW 2054 4.281 4.587 3.730 161HOH HW1 2055 4.363 4.587 3.787 161HOH HW2 2056 4.281 4.669 3.672 162HOH OW 2057 3.859 5.235 2.707 162HOH HW1 2058 3.941 5.235 2.765 162HOH HW2 2059 3.859 5.153 2.649 163HOH OW 2060 3.254 1.961 4.108 163HOH HW1 2061 3.173 1.961 4.165 163HOH HW2 2062 3.254 2.043 4.050 164HOH OW 2063 4.049 5.398 3.249 164HOH HW1 2064 3.967 5.398 3.306 164HOH HW2 2065 4.049 5.317 3.191 165HOH OW 2066 3.086 4.116 2.166 165HOH HW1 2067 3.086 4.197 2.108 165HOH HW2 2068 3.086 4.034 2.108 166HOH OW 2069 4.674 3.253 4.645 166HOH HW1 2070 4.756 3.253 4.703 166HOH HW2 2071 4.593 3.253 4.703 167HOH OW 2072 5.132 2.910 4.183 167HOH HW1 2073 5.213 2.910 4.241 167HOH HW2 2074 5.132 2.992 4.126 168HOH OW 2075 3.232 5.136 3.231 168HOH HW1 2076 3.314 5.136 3.289 168HOH HW2 2077 3.232 5.054 3.173 169HOH OW 2078 3.196 4.084 4.979 169HOH HW1 2079 3.115 4.084 5.037 169HOH HW2 2080 3.196 4.166 4.922 170HOH OW 2081 3.976 1.941 3.316 170HOH HW1 2082 3.894 1.941 3.373 170HOH HW2 2083 3.976 1.860 3.258 171HOH OW 2084 5.195 2.628 4.166 171HOH HW1 2085 5.195 2.709 4.108 171HOH HW2 2086 5.195 2.546 4.108 172HOH OW 2087 4.591 2.957 2.358 172HOH HW1 2088 4.672 2.957 2.415 172HOH HW2 2089 4.509 2.957 2.415 173HOH OW 2090 4.439 3.747 2.509 173HOH HW1 2091 4.521 3.747 2.567 173HOH HW2 2092 4.439 3.829 2.452 174HOH OW 2093 4.641 4.416 3.088 174HOH HW1 2094 4.722 4.416 3.146 174HOH HW2 2095 4.641 4.334 3.031 175HOH OW 2096 4.630 2.021 4.413 175HOH HW1 2097 4.548 2.021 4.470 175HOH HW2 2098 4.630 2.103 4.355 176HOH OW 2099 1.829 4.833 2.512 176HOH HW1 2100 1.748 4.833 2.570 176HOH HW2 2101 1.829 4.751 2.455 177HOH OW 2102 4.895 3.538 3.401 177HOH HW1 2103 4.895 3.620 3.344 177HOH HW2 2104 4.895 3.456 3.344 178HOH OW 2105 3.111 4.189 3.613 178HOH HW1 2106 3.192 4.189 3.670 178HOH HW2 2107 3.029 4.189 3.670 179HOH OW 2108 3.122 2.743 4.667 179HOH HW1 2109 3.204 2.743 4.725 179HOH HW2 2110 3.122 2.825 4.609 180HOH OW 2111 4.971 2.084 3.696 180HOH HW1 2112 5.053 2.084 3.754 180HOH HW2 2113 4.971 2.003 3.638 181HOH OW 2114 2.148 2.689 4.077 181HOH HW1 2115 2.066 2.689 4.134 181HOH HW2 2116 2.148 2.770 4.019 182HOH OW 2117 2.935 4.024 3.432 182HOH HW1 2118 2.854 4.024 3.489 182HOH HW2 2119 2.935 3.942 3.374 183HOH OW 2120 3.177 2.708 3.000 183HOH HW1 2121 3.177 2.790 2.942 183HOH HW2 2122 3.177 2.627 2.942 184HOH OW 2123 3.212 4.343 5.179 184HOH HW1 2124 3.293 4.343 5.237 184HOH HW2 2125 3.130 4.343 5.237 185HOH OW 2126 3.165 5.031 4.492 185HOH HW1 2127 3.247 5.031 4.549 185HOH HW2 2128 3.165 5.113 4.434 186HOH OW 2129 4.295 4.473 4.351 186HOH HW1 2130 4.376 4.473 4.408 186HOH HW2 2131 4.295 4.392 4.293 187HOH OW 2132 2.855 3.704 3.525 187HOH HW1 2133 2.774 3.704 3.583 187HOH HW2 2134 2.855 3.786 3.467 188HOH OW 2135 2.377 2.729 4.393 188HOH HW1 2136 2.295 2.729 4.451 188HOH HW2 2137 2.377 2.648 4.335 189HOH OW 2138 2.809 3.964 2.202 189HOH HW1 2139 2.809 4.046 2.145 189HOH HW2 2140 2.809 3.883 2.145 190HOH OW 2141 2.628 5.068 2.422 190HOH HW1 2142 2.710 5.068 2.479 190HOH HW2 2143 2.547 5.068 2.479 191HOH OW 2144 2.518 2.612 4.225 191HOH HW1 2145 2.599 2.612 4.282 191HOH HW2 2146 2.518 2.694 4.167 192HOH OW 2147 2.633 5.797 2.959 192HOH HW1 2148 2.714 5.797 3.017 192HOH HW2 2149 2.633 5.715 2.901 193HOH OW 2150 2.397 4.292 3.243 193HOH HW1 2151 2.316 4.292 3.301 193HOH HW2 2152 2.397 4.374 3.185 194HOH OW 2153 3.718 5.639 3.352 194HOH HW1 2154 3.636 5.639 3.410 194HOH HW2 2155 3.718 5.558 3.294 195HOH OW 2156 3.846 2.548 2.756 195HOH HW1 2157 3.846 2.630 2.699 195HOH HW2 2158 3.846 2.467 2.699 196HOH OW 2159 3.259 5.643 3.928 196HOH HW1 2160 3.341 5.643 3.986 196HOH HW2 2161 3.178 5.643 3.986 197HOH OW 2162 4.955 3.380 3.031 197HOH HW1 2163 5.037 3.380 3.089 197HOH HW2 2164 4.955 3.462 2.973 198HOH OW 2165 2.145 4.348 3.044 198HOH HW1 2166 2.227 4.348 3.102 198HOH HW2 2167 2.145 4.266 2.987 199HOH OW 2168 2.566 2.521 3.084 199HOH HW1 2169 2.485 2.521 3.142 199HOH HW2 2170 2.566 2.603 3.026 200HOH OW 2171 3.651 4.968 2.381 200HOH HW1 2172 3.570 4.968 2.439 200HOH HW2 2173 3.651 4.886 2.323 201HOH OW 2174 3.487 4.759 4.823 201HOH HW1 2175 3.487 4.841 4.766 201HOH HW2 2176 3.487 4.678 4.766 202HOH OW 2177 3.377 3.680 5.273 202HOH HW1 2178 3.459 3.680 5.331 202HOH HW2 2179 3.295 3.680 5.331 203HOH OW 2180 2.156 3.283 4.168 203HOH HW1 2181 2.238 3.283 4.225 203HOH HW2 2182 2.156 3.365 4.110 204HOH OW 2183 2.867 3.537 3.182 204HOH HW1 2184 2.948 3.537 3.240 204HOH HW2 2185 2.867 3.455 3.124 205HOH OW 2186 3.608 4.758 2.431 205HOH HW1 2187 3.526 4.758 2.489 205HOH HW2 2188 3.608 4.839 2.373 206HOH OW 2189 4.624 2.125 4.667 206HOH HW1 2190 4.542 2.125 4.725 206HOH HW2 2191 4.624 2.044 4.609 207HOH OW 2192 5.274 3.546 4.471 207HOH HW1 2193 5.274 3.628 4.413 207HOH HW2 2194 5.274 3.465 4.413 7.33925 7.33925 7.33925