NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5906 | 1i5u | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 3 H1 ALA 3 5.129 -12.664 -12.878 2 2H ALA 3 H2 ALA 3 5.389 -14.088 -13.720 3 3H ALA 3 H3 ALA 3 3.861 -13.625 -13.249 4 HA ALA 3 HA ALA 3 6.081 -14.496 -11.560 5 1HB ALA 3 HB1 ALA 3 4.454 -16.228 -12.372 6 2HB ALA 3 HB2 ALA 3 4.439 -16.049 -10.615 7 3HB ALA 3 HB3 ALA 3 3.138 -15.326 -11.585 8 H VAL 4 HN VAL 4 4.418 -14.580 -9.143 9 HA VAL 4 HA VAL 4 4.808 -11.877 -8.323 10 HB VAL 4 HB VAL 4 2.498 -11.789 -9.373 11 1HG1 VAL 4 HG11 VAL 4 1.805 -14.149 -8.737 12 2HG1 VAL 4 HG12 VAL 4 1.614 -13.577 -7.063 13 3HG1 VAL 4 HG13 VAL 4 0.618 -12.896 -8.354 14 1HG2 VAL 4 HG21 VAL 4 2.422 -11.397 -6.372 15 2HG2 VAL 4 HG22 VAL 4 3.219 -10.279 -7.505 16 3HG2 VAL 4 HG23 VAL 4 1.475 -10.552 -7.605 17 H LYS 5 HN LYS 5 4.737 -11.889 -5.913 18 HA LYS 5 HA LYS 5 4.882 -14.648 -4.766 19 1HB LYS 5 HB2 LYS 5 6.149 -12.036 -3.865 20 2HB LYS 5 HB3 LYS 5 6.085 -13.524 -2.896 21 1HG LYS 5 HG2 LYS 5 7.217 -14.737 -4.801 22 2HG LYS 5 HG3 LYS 5 7.442 -13.173 -5.607 23 1HD LYS 5 HD2 LYS 5 8.779 -12.361 -3.697 24 2HD LYS 5 HD3 LYS 5 8.474 -13.875 -2.820 25 1HE LYS 5 HE2 LYS 5 9.606 -15.156 -4.667 26 2HE LYS 5 HE3 LYS 5 9.982 -13.625 -5.476 27 1HZ LYS 5 HZ1 LYS 5 10.940 -14.443 -2.808 28 2HZ LYS 5 HZ2 LYS 5 11.823 -14.444 -4.193 29 3HZ LYS 5 HZ3 LYS 5 11.303 -13.021 -3.555 30 H TYR 6 HN TYR 6 3.512 -15.099 -3.060 31 HA TYR 6 HA TYR 6 1.275 -13.177 -2.635 32 1HB TYR 6 HB2 TYR 6 1.560 -16.166 -2.178 33 2HB TYR 6 HB3 TYR 6 0.178 -15.194 -1.713 34 HD1 TYR 6 HD1 TYR 6 2.028 -16.611 -4.592 35 HD2 TYR 6 HD2 TYR 6 -1.400 -14.303 -3.368 36 HE1 TYR 6 HE1 TYR 6 1.098 -16.785 -6.874 37 HE2 TYR 6 HE2 TYR 6 -2.341 -14.507 -5.667 38 HH TYR 6 HH TYR 6 -0.660 -16.251 -8.274 39 H TYR 7 HN TYR 7 1.056 -12.251 -0.571 40 HA TYR 7 HA TYR 7 2.782 -13.363 1.616 41 1HB TYR 7 HB2 TYR 7 2.134 -10.439 1.328 42 2HB TYR 7 HB3 TYR 7 3.244 -11.198 2.450 43 HD1 TYR 7 HD1 TYR 7 5.061 -12.836 0.979 44 HD2 TYR 7 HD2 TYR 7 3.289 -9.084 -0.191 45 HE1 TYR 7 HE1 TYR 7 6.942 -12.424 -0.583 46 HE2 TYR 7 HE2 TYR 7 5.229 -8.620 -1.626 47 HH TYR 7 HH TYR 7 6.894 -9.700 -2.863 48 H THR 8 HN THR 8 1.914 -13.389 3.666 49 HA THR 8 HA THR 8 -0.948 -13.666 3.742 50 HB THR 8 HB THR 8 0.006 -14.317 6.211 51 HG1 THR 8 HG1 THR 8 2.145 -14.309 6.175 52 1HG2 THR 8 HG21 THR 8 0.376 -16.598 5.333 53 2HG2 THR 8 HG22 THR 8 -1.080 -15.877 4.614 54 3HG2 THR 8 HG23 THR 8 0.431 -15.965 3.675 55 H LEU 9 HN LEU 9 -2.369 -12.534 4.999 56 HA LEU 9 HA LEU 9 -1.941 -9.794 5.317 57 1HB LEU 9 HB2 LEU 9 -4.105 -10.889 5.130 58 2HB LEU 9 HB3 LEU 9 -3.975 -11.543 6.765 59 HG LEU 9 HG LEU 9 -3.582 -8.578 6.479 60 1HD1 LEU 9 HD11 LEU 9 -6.311 -9.866 6.076 61 2HD1 LEU 9 HD12 LEU 9 -6.008 -8.133 6.334 62 3HD1 LEU 9 HD13 LEU 9 -5.400 -8.927 4.873 63 1HD2 LEU 9 HD21 LEU 9 -3.636 -9.692 8.718 64 2HD2 LEU 9 HD22 LEU 9 -4.965 -8.538 8.521 65 3HD2 LEU 9 HD23 LEU 9 -5.275 -10.277 8.373 66 H GLU 10 HN GLU 10 -1.667 -12.358 7.740 67 HA GLU 10 HA GLU 10 -0.854 -11.130 10.091 68 1HB GLU 10 HB2 GLU 10 -1.016 -13.493 9.891 69 2HB GLU 10 HB3 GLU 10 0.224 -13.559 8.633 70 1HG GLU 10 HG2 GLU 10 1.066 -14.355 10.783 71 2HG GLU 10 HG3 GLU 10 1.945 -12.964 10.155 72 H GLU 11 HN GLU 11 1.336 -11.875 7.307 73 HA GLU 11 HA GLU 11 3.613 -10.591 8.432 74 1HB GLU 11 HB2 GLU 11 2.810 -11.759 5.766 75 2HB GLU 11 HB3 GLU 11 4.122 -10.625 5.798 76 1HG GLU 11 HG2 GLU 11 4.805 -13.050 6.065 77 2HG GLU 11 HG3 GLU 11 5.401 -11.969 7.333 78 H ILE 12 HN ILE 12 1.286 -9.575 5.907 79 HA ILE 12 HA ILE 12 2.339 -7.005 5.548 80 HB ILE 12 HB ILE 12 -0.577 -7.850 5.416 81 1HG1 ILE 12 HG12 ILE 12 0.840 -9.286 4.028 82 2HG1 ILE 12 HG13 ILE 12 -0.099 -8.195 3.007 83 1HG2 ILE 12 HG21 ILE 12 -0.561 -5.496 5.384 84 2HG2 ILE 12 HG22 ILE 12 0.882 -5.416 4.352 85 3HG2 ILE 12 HG23 ILE 12 -0.662 -5.994 3.687 86 1HD1 ILE 12 HD11 ILE 12 2.851 -8.135 3.724 87 2HD1 ILE 12 HD12 ILE 12 2.120 -8.365 2.148 88 3HD1 ILE 12 HD13 ILE 12 2.026 -6.768 2.913 89 H GLN 13 HN GLN 13 0.071 -7.960 8.164 90 HA GLN 13 HA GLN 13 -0.270 -5.314 9.173 91 1HB GLN 13 HB2 GLN 13 -0.479 -8.039 10.495 92 2HB GLN 13 HB3 GLN 13 -0.770 -6.522 11.362 93 1HG GLN 13 HG2 GLN 13 -2.462 -5.866 9.680 94 2HG GLN 13 HG3 GLN 13 -2.288 -7.440 8.886 95 1HE2 GLN 13 HE21 GLN 13 -4.710 -6.298 10.097 96 2HE2 GLN 13 HE22 GLN 13 -5.150 -7.382 11.411 97 H LYS 14 HN LYS 14 2.532 -7.387 9.403 98 HA LYS 14 HA LYS 14 3.690 -5.908 11.683 99 1HB LYS 14 HB2 LYS 14 4.508 -8.218 9.919 100 2HB LYS 14 HB3 LYS 14 5.758 -7.318 10.715 101 1HG LYS 14 HG2 LYS 14 4.691 -7.722 12.918 102 2HG LYS 14 HG3 LYS 14 3.246 -8.372 12.138 103 1HD LYS 14 HD2 LYS 14 5.985 -9.710 12.219 104 2HD LYS 14 HD3 LYS 14 4.523 -10.148 13.129 105 1HE LYS 14 HE2 LYS 14 3.445 -10.257 10.686 106 2HE LYS 14 HE3 LYS 14 5.130 -10.532 10.194 107 1HZ LYS 14 HZ1 LYS 14 3.405 -12.138 11.949 108 2HZ LYS 14 HZ2 LYS 14 4.091 -12.568 10.525 109 3HZ LYS 14 HZ3 LYS 14 5.043 -12.418 11.843 110 H HIS 15 HN HIS 15 3.413 -5.628 8.216 111 HA HIS 15 HA HIS 15 5.717 -3.759 8.082 112 1HB HIS 15 HB2 HIS 15 4.080 -5.207 5.997 113 2HB HIS 15 HB3 HIS 15 5.225 -3.951 5.623 114 HD1 HIS 15 HD1 HIS 15 7.948 -4.624 6.007 115 HD2 HIS 15 HD2 HIS 15 5.031 -7.587 6.675 116 HE1 HIS 15 HE1 HIS 15 9.168 -6.827 6.128 117 H ASN 16 HN ASN 16 4.076 -2.531 9.627 118 HA ASN 16 HA ASN 16 2.299 -0.792 7.951 119 1HB ASN 16 HB2 ASN 16 0.661 -0.875 9.669 120 2HB ASN 16 HB3 ASN 16 1.097 -2.550 9.289 121 1HD2 ASN 16 HD21 ASN 16 -0.204 -1.785 11.674 122 2HD2 ASN 16 HD22 ASN 16 0.902 -2.146 12.991 123 H ASN 17 HN ASN 17 5.029 0.013 8.643 124 HA ASN 17 HA ASN 17 4.400 2.470 10.028 125 1HB ASN 17 HB2 ASN 17 4.681 0.610 11.879 126 2HB ASN 17 HB3 ASN 17 6.392 0.665 11.458 127 1HD2 ASN 17 HD21 ASN 17 6.981 1.461 13.548 128 2HD2 ASN 17 HD22 ASN 17 6.599 3.092 14.052 129 H SER 18 HN SER 18 6.882 3.506 10.668 130 HA SER 18 HA SER 18 7.896 4.311 8.340 131 1HB SER 18 HB2 SER 18 9.626 3.946 10.804 132 2HB SER 18 HB3 SER 18 9.603 5.300 9.658 133 HG SER 18 HG SER 18 7.594 5.893 10.480 134 H LYS 19 HN LYS 19 9.107 1.431 10.116 135 HA LYS 19 HA LYS 19 11.358 0.981 8.371 136 1HB LYS 19 HB2 LYS 19 9.985 -0.518 10.582 137 2HB LYS 19 HB3 LYS 19 10.782 -1.508 9.364 138 1HG LYS 19 HG2 LYS 19 12.870 -0.134 9.647 139 2HG LYS 19 HG3 LYS 19 12.107 0.632 11.058 140 1HD LYS 19 HD2 LYS 19 11.838 -1.607 12.107 141 2HD LYS 19 HD3 LYS 19 12.487 -2.379 10.645 142 1HE LYS 19 HE2 LYS 19 14.651 -1.145 10.976 143 2HE LYS 19 HE3 LYS 19 14.020 -0.491 12.497 144 1HZ LYS 19 HZ1 LYS 19 15.386 -2.421 12.847 145 2HZ LYS 19 HZ2 LYS 19 13.844 -2.761 13.302 146 3HZ LYS 19 HZ3 LYS 19 14.436 -3.348 11.882 147 H SER 20 HN SER 20 7.957 0.377 7.911 148 HA SER 20 HA SER 20 8.343 -0.793 5.328 149 1HB SER 20 HB2 SER 20 7.612 -2.606 7.629 150 2HB SER 20 HB3 SER 20 7.048 -2.863 5.961 151 HG SER 20 HG SER 20 9.773 -2.448 6.346 152 H THR 21 HN THR 21 6.667 0.529 4.503 153 HA THR 21 HA THR 21 4.027 0.507 5.952 154 HB THR 21 HB THR 21 5.145 2.622 4.082 155 HG1 THR 21 HG1 THR 21 5.780 2.282 6.513 156 1HG2 THR 21 HG21 THR 21 3.066 3.853 4.765 157 2HG2 THR 21 HG22 THR 21 2.640 2.346 3.953 158 3HG2 THR 21 HG23 THR 21 2.599 2.456 5.730 159 H TRP 22 HN TRP 22 3.381 -1.465 5.090 160 HA TRP 22 HA TRP 22 2.819 -1.499 2.157 161 1HB TRP 22 HB2 TRP 22 3.112 -3.848 4.063 162 2HB TRP 22 HB3 TRP 22 2.880 -3.918 2.323 163 HD1 TRP 22 HD1 TRP 22 5.639 -1.562 2.581 164 HE1 TRP 22 HE1 TRP 22 7.872 -2.674 2.365 165 HE3 TRP 22 HE3 TRP 22 4.173 -6.367 3.420 166 HZ2 TRP 22 HZ2 TRP 22 8.954 -5.392 2.509 167 HZ3 TRP 22 HZ3 TRP 22 5.799 -8.232 3.309 168 HH2 TRP 22 HH2 TRP 22 8.206 -7.748 2.853 169 H LEU 23 HN LEU 23 0.745 -2.102 1.570 170 HA LEU 23 HA LEU 23 -1.265 -2.637 3.635 171 1HB LEU 23 HB2 LEU 23 -2.286 -0.652 1.801 172 2HB LEU 23 HB3 LEU 23 -2.284 -0.636 3.559 173 HG LEU 23 HG LEU 23 0.132 0.349 3.307 174 1HD1 LEU 23 HD11 LEU 23 0.119 -0.366 0.731 175 2HD1 LEU 23 HD12 LEU 23 -0.879 1.065 0.524 176 3HD1 LEU 23 HD13 LEU 23 0.760 1.209 1.207 177 1HD2 LEU 23 HD21 LEU 23 -1.832 1.674 3.942 178 2HD2 LEU 23 HD22 LEU 23 -0.741 2.565 2.870 179 3HD2 LEU 23 HD23 LEU 23 -2.257 1.871 2.235 180 H ILE 24 HN ILE 24 -3.332 -3.163 2.565 181 HA ILE 24 HA ILE 24 -2.860 -4.625 0.048 182 HB ILE 24 HB ILE 24 -5.320 -4.641 1.829 183 1HG1 ILE 24 HG12 ILE 24 -4.656 -6.999 2.219 184 2HG1 ILE 24 HG13 ILE 24 -3.018 -6.596 1.637 185 1HG2 ILE 24 HG21 ILE 24 -5.956 -6.568 0.444 186 2HG2 ILE 24 HG22 ILE 24 -5.831 -5.100 -0.520 187 3HG2 ILE 24 HG23 ILE 24 -4.512 -6.297 -0.563 188 1HD1 ILE 24 HD11 ILE 24 -3.250 -6.669 4.111 189 2HD1 ILE 24 HD12 ILE 24 -2.832 -5.031 3.616 190 3HD1 ILE 24 HD13 ILE 24 -4.511 -5.433 4.043 191 H LEU 25 HN LEU 25 -3.497 -3.706 -1.886 192 HA LEU 25 HA LEU 25 -5.916 -1.965 -1.858 193 1HB LEU 25 HB2 LEU 25 -3.549 -1.515 -3.713 194 2HB LEU 25 HB3 LEU 25 -5.127 -0.788 -3.843 195 HG LEU 25 HG LEU 25 -3.603 0.823 -3.060 196 1HD1 LEU 25 HD11 LEU 25 -4.727 1.632 -1.092 197 2HD1 LEU 25 HD12 LEU 25 -5.890 0.896 -2.206 198 3HD1 LEU 25 HD13 LEU 25 -5.376 0.017 -0.750 199 1HD2 LEU 25 HD21 LEU 25 -2.882 -0.759 -0.604 200 2HD2 LEU 25 HD22 LEU 25 -1.866 -0.523 -2.045 201 3HD2 LEU 25 HD23 LEU 25 -2.370 0.866 -1.096 202 H HIS 26 HN HIS 26 -7.464 -2.977 -3.091 203 HA HIS 26 HA HIS 26 -8.473 -4.558 -4.363 204 1HB HIS 26 HB2 HIS 26 -6.167 -4.094 -6.284 205 2HB HIS 26 HB3 HIS 26 -7.820 -4.578 -6.681 206 HD1 HIS 26 HD1 HIS 26 -9.695 -2.571 -6.559 207 HD2 HIS 26 HD2 HIS 26 -5.640 -1.536 -6.098 208 HE1 HIS 26 HE1 HIS 26 -9.529 -0.068 -6.977 209 H TYR 27 HN TYR 27 -6.744 -5.745 -2.457 210 HA TYR 27 HA TYR 27 -5.869 -7.672 -1.765 211 1HB TYR 27 HB2 TYR 27 -6.676 -8.981 -4.332 212 2HB TYR 27 HB3 TYR 27 -6.363 -9.741 -2.794 213 HD1 TYR 27 HD1 TYR 27 -8.936 -9.482 -4.818 214 HD2 TYR 27 HD2 TYR 27 -7.904 -8.205 -0.825 215 HE1 TYR 27 HE1 TYR 27 -11.276 -9.839 -4.084 216 HE2 TYR 27 HE2 TYR 27 -10.220 -8.605 -0.099 217 HH TYR 27 HH TYR 27 -12.236 -9.665 -0.691 218 H LYS 28 HN LYS 28 -4.129 -5.792 -3.394 219 HA LYS 28 HA LYS 28 -1.927 -7.735 -3.544 220 1HB LYS 28 HB2 LYS 28 -2.288 -5.396 -5.490 221 2HB LYS 28 HB3 LYS 28 -0.835 -6.378 -5.308 222 1HG LYS 28 HG2 LYS 28 -1.916 -7.333 -7.154 223 2HG LYS 28 HG3 LYS 28 -2.296 -8.391 -5.789 224 1HD LYS 28 HD2 LYS 28 -4.455 -8.155 -6.132 225 2HD LYS 28 HD3 LYS 28 -4.315 -6.396 -5.849 226 1HE LYS 28 HE2 LYS 28 -3.961 -5.927 -8.140 227 2HE LYS 28 HE3 LYS 28 -3.906 -7.656 -8.567 228 1HZ LYS 28 HZ1 LYS 28 -6.226 -6.566 -7.155 229 2HZ LYS 28 HZ2 LYS 28 -6.121 -7.899 -8.094 230 3HZ LYS 28 HZ3 LYS 28 -6.119 -6.412 -8.812 231 H VAL 29 HN VAL 29 0.166 -6.860 -3.197 232 HA VAL 29 HA VAL 29 -0.002 -5.123 -0.806 233 HB VAL 29 HB VAL 29 2.006 -7.252 -1.635 234 1HG1 VAL 29 HG11 VAL 29 2.927 -6.920 0.626 235 2HG1 VAL 29 HG12 VAL 29 3.003 -5.407 -0.255 236 3HG1 VAL 29 HG13 VAL 29 1.724 -5.643 0.941 237 1HG2 VAL 29 HG21 VAL 29 -0.235 -8.167 -1.009 238 2HG2 VAL 29 HG22 VAL 29 0.979 -8.555 0.201 239 3HG2 VAL 29 HG23 VAL 29 -0.177 -7.239 0.502 240 H TYR 30 HN TYR 30 0.676 -3.141 -1.101 241 HA TYR 30 HA TYR 30 2.626 -2.489 -3.264 242 1HB TYR 30 HB2 TYR 30 0.546 -0.794 -1.872 243 2HB TYR 30 HB3 TYR 30 1.714 -0.229 -3.064 244 HD1 TYR 30 HD1 TYR 30 1.192 -0.307 -5.360 245 HD2 TYR 30 HD2 TYR 30 -1.040 -2.741 -2.612 246 HE1 TYR 30 HE1 TYR 30 -0.324 -1.016 -7.202 247 HE2 TYR 30 HE2 TYR 30 -2.456 -3.519 -4.453 248 HH TYR 30 HH TYR 30 -2.262 -2.155 -7.742 249 H ASP 31 HN ASP 31 4.702 -2.272 -2.412 250 HA ASP 31 HA ASP 31 5.053 -1.421 0.390 251 1HB ASP 31 HB2 ASP 31 6.730 -2.821 -0.024 252 2HB ASP 31 HB3 ASP 31 6.940 -2.385 -1.758 253 H LEU 32 HN LEU 32 4.660 0.643 0.836 254 HA LEU 32 HA LEU 32 5.657 2.726 -1.094 255 1HB LEU 32 HB2 LEU 32 3.620 3.050 1.104 256 2HB LEU 32 HB3 LEU 32 3.966 4.174 -0.199 257 HG LEU 32 HG LEU 32 2.666 1.423 -0.479 258 1HD1 LEU 32 HD11 LEU 32 1.291 3.291 0.497 259 2HD1 LEU 32 HD12 LEU 32 1.469 4.132 -1.063 260 3HD1 LEU 32 HD13 LEU 32 0.650 2.553 -0.975 261 1HD2 LEU 32 HD21 LEU 32 3.139 3.486 -2.682 262 2HD2 LEU 32 HD22 LEU 32 4.101 2.017 -2.487 263 3HD2 LEU 32 HD23 LEU 32 2.398 1.880 -2.847 264 H THR 33 HN THR 33 7.091 1.004 1.144 265 HA THR 33 HA THR 33 7.492 2.754 3.344 266 HB THR 33 HB THR 33 9.519 0.800 2.180 267 HG1 THR 33 HG1 THR 33 7.706 -0.291 2.402 268 1HG2 THR 33 HG21 THR 33 10.381 2.240 4.039 269 2HG2 THR 33 HG22 THR 33 9.000 1.749 5.040 270 3HG2 THR 33 HG23 THR 33 10.208 0.549 4.525 271 H LYS 34 HN LYS 34 9.371 2.463 0.287 272 HA LYS 34 HA LYS 34 10.969 4.819 1.049 273 1HB LYS 34 HB2 LYS 34 11.691 2.575 -0.178 274 2HB LYS 34 HB3 LYS 34 11.194 3.465 -1.627 275 1HG LYS 34 HG2 LYS 34 12.748 5.326 -0.940 276 2HG LYS 34 HG3 LYS 34 13.182 4.392 0.508 277 1HD LYS 34 HD2 LYS 34 13.915 2.507 -1.013 278 2HD LYS 34 HD3 LYS 34 13.652 3.597 -2.393 279 1HE LYS 34 HE2 LYS 34 15.288 5.224 -1.368 280 2HE LYS 34 HE3 LYS 34 15.557 4.088 -0.035 281 1HZ LYS 34 HZ1 LYS 34 16.175 3.585 -2.870 282 2HZ LYS 34 HZ2 LYS 34 17.260 3.904 -1.677 283 3HZ LYS 34 HZ3 LYS 34 16.395 2.505 -1.645 284 H PHE 35 HN PHE 35 7.930 4.849 0.302 285 HA PHE 35 HA PHE 35 8.079 6.999 -1.768 286 1HB PHE 35 HB2 PHE 35 6.856 4.821 -2.347 287 2HB PHE 35 HB3 PHE 35 5.766 5.203 -1.040 288 HD1 PHE 35 HD1 PHE 35 7.208 7.269 -3.874 289 HD2 PHE 35 HD2 PHE 35 3.677 5.777 -1.883 290 HE1 PHE 35 HE1 PHE 35 5.787 8.645 -5.347 291 HE2 PHE 35 HE2 PHE 35 2.273 6.999 -3.462 292 HZ PHE 35 HZ PHE 35 3.309 8.544 -5.145 293 H LEU 36 HN LEU 36 7.388 6.282 1.557 294 HA LEU 36 HA LEU 36 5.340 7.897 2.316 295 1HB LEU 36 HB2 LEU 36 8.080 7.627 3.640 296 2HB LEU 36 HB3 LEU 36 6.658 8.302 4.431 297 HG LEU 36 HG LEU 36 6.985 5.438 3.454 298 1HD1 LEU 36 HD11 LEU 36 6.692 6.626 6.243 299 2HD1 LEU 36 HD12 LEU 36 6.888 4.905 5.842 300 3HD1 LEU 36 HD13 LEU 36 8.208 6.041 5.523 301 1HD2 LEU 36 HD21 LEU 36 4.801 5.125 4.699 302 2HD2 LEU 36 HD22 LEU 36 4.556 6.870 4.589 303 3HD2 LEU 36 HD23 LEU 36 4.673 5.889 3.110 304 H GLU 37 HN GLU 37 8.713 9.165 2.013 305 HA GLU 37 HA GLU 37 8.073 11.843 2.558 306 1HB GLU 37 HB2 GLU 37 10.338 10.564 0.945 307 2HB GLU 37 HB3 GLU 37 10.307 12.219 1.547 308 1HG GLU 37 HG2 GLU 37 10.215 11.430 3.873 309 2HG GLU 37 HG3 GLU 37 10.216 9.743 3.336 310 H GLU 38 HN GLU 38 7.965 9.964 -0.444 311 HA GLU 38 HA GLU 38 7.950 12.254 -2.210 312 1HB GLU 38 HB2 GLU 38 7.298 9.305 -2.573 313 2HB GLU 38 HB3 GLU 38 7.356 10.439 -3.912 314 1HG GLU 38 HG2 GLU 38 9.794 10.124 -2.122 315 2HG GLU 38 HG3 GLU 38 9.433 8.931 -3.374 316 H HIS 39 HN HIS 39 5.543 10.046 -0.846 317 HA HIS 39 HA HIS 39 3.465 10.559 -2.551 318 1HB HIS 39 HB2 HIS 39 3.539 8.760 -0.899 319 2HB HIS 39 HB3 HIS 39 3.321 9.924 0.411 320 HD1 HIS 39 HD1 HIS 39 0.865 10.032 1.184 321 HD2 HIS 39 HD2 HIS 39 1.361 8.976 -2.867 322 HE1 HIS 39 HE1 HIS 39 -1.424 9.475 0.299 323 HA PRO 40 HA PRO 40 2.871 14.908 -1.615 324 1HB PRO 40 HB2 PRO 40 0.651 15.411 -3.180 325 2HB PRO 40 HB3 PRO 40 2.296 15.244 -3.850 326 1HG PRO 40 HG2 PRO 40 0.161 13.155 -3.671 327 2HG PRO 40 HG3 PRO 40 1.191 13.567 -5.083 328 1HD PRO 40 HD2 PRO 40 1.756 11.471 -3.516 329 2HD PRO 40 HD3 PRO 40 3.093 12.519 -4.089 330 H GLY 41 HN GLY 41 0.306 12.473 -1.272 331 1HA GLY 41 HA1 GLY 41 -1.483 14.047 0.328 332 2HA GLY 41 HA2 GLY 41 -1.418 12.284 0.216 333 H GLY 42 HN GLY 42 1.702 12.965 1.135 334 1HA GLY 42 HA1 GLY 42 2.732 13.237 3.222 335 2HA GLY 42 HA2 GLY 42 1.166 13.324 4.031 336 H GLU 43 HN GLU 43 3.229 11.770 4.999 337 HA GLU 43 HA GLU 43 3.136 9.048 4.101 338 1HB GLU 43 HB2 GLU 43 4.655 8.651 5.972 339 2HB GLU 43 HB3 GLU 43 5.167 9.981 4.923 340 1HG GLU 43 HG2 GLU 43 4.464 11.627 6.619 341 2HG GLU 43 HG3 GLU 43 3.864 10.317 7.660 342 H GLU 44 HN GLU 44 1.871 10.788 6.952 343 HA GLU 44 HA GLU 44 1.020 8.557 8.398 344 1HB GLU 44 HB2 GLU 44 0.235 11.467 8.403 345 2HB GLU 44 HB3 GLU 44 -0.652 10.316 9.401 346 1HG GLU 44 HG2 GLU 44 2.368 10.337 9.557 347 2HG GLU 44 HG3 GLU 44 1.419 11.554 10.413 348 H VAL 45 HN VAL 45 -0.668 10.247 5.764 349 HA VAL 45 HA VAL 45 -3.208 9.101 6.321 350 HB VAL 45 HB VAL 45 -2.309 9.824 3.508 351 1HG1 VAL 45 HG11 VAL 45 -4.669 10.443 3.263 352 2HG1 VAL 45 HG12 VAL 45 -4.618 8.805 3.925 353 3HG1 VAL 45 HG13 VAL 45 -4.965 10.170 4.988 354 1HG2 VAL 45 HG21 VAL 45 -3.145 11.702 5.769 355 2HG2 VAL 45 HG22 VAL 45 -1.612 11.737 4.872 356 3HG2 VAL 45 HG23 VAL 45 -3.120 12.148 4.052 357 H LEU 46 HN LEU 46 -0.462 7.846 4.364 358 HA LEU 46 HA LEU 46 -1.990 5.461 3.591 359 1HB LEU 46 HB2 LEU 46 0.990 5.309 3.558 360 2HB LEU 46 HB3 LEU 46 -0.222 4.681 2.474 361 HG LEU 46 HG LEU 46 -0.510 7.304 1.860 362 1HD1 LEU 46 HD11 LEU 46 1.185 8.119 3.356 363 2HD1 LEU 46 HD12 LEU 46 2.363 6.889 2.863 364 3HD1 LEU 46 HD13 LEU 46 1.923 8.176 1.753 365 1HD2 LEU 46 HD21 LEU 46 0.013 5.427 0.308 366 2HD2 LEU 46 HD22 LEU 46 0.958 6.876 -0.050 367 3HD2 LEU 46 HD23 LEU 46 1.724 5.536 0.815 368 H ARG 47 HN ARG 47 0.667 6.258 5.850 369 HA ARG 47 HA ARG 47 1.086 3.712 6.891 370 1HB ARG 47 HB2 ARG 47 2.621 5.539 7.073 371 2HB ARG 47 HB3 ARG 47 1.507 6.438 8.094 372 1HG ARG 47 HG2 ARG 47 2.138 3.767 9.223 373 2HG ARG 47 HG3 ARG 47 3.585 4.748 8.914 374 1HD ARG 47 HD3 ARG 47 2.585 6.666 10.076 375 2HD ARG 47 HD2 ARG 47 1.136 5.706 10.459 376 HE ARG 47 HE ARG 47 3.509 4.377 11.418 377 1HH1 ARG 47 HH22 ARG 47 1.605 7.323 12.035 378 2HH1 ARG 47 HH21 ARG 47 1.982 7.390 13.716 379 1HH2 ARG 47 HH12 ARG 47 4.124 4.495 13.487 380 2HH2 ARG 47 HH11 ARG 47 3.487 5.675 14.630 381 H ALA 48 HN ALA 48 -1.313 6.127 7.947 382 HA ALA 48 HA ALA 48 -2.318 4.864 10.241 383 1HB ALA 48 HB1 ALA 48 -3.003 7.097 9.549 384 2HB ALA 48 HB2 ALA 48 -3.749 6.458 8.068 385 3HB ALA 48 HB3 ALA 48 -4.434 6.059 9.661 386 H GLN 49 HN GLN 49 -2.952 4.126 6.791 387 HA GLN 49 HA GLN 49 -4.999 2.090 7.519 388 1HB GLN 49 HB2 GLN 49 -4.021 2.916 4.774 389 2HB GLN 49 HB3 GLN 49 -5.455 1.961 5.189 390 1HG GLN 49 HG2 GLN 49 -5.026 4.926 5.783 391 2HG GLN 49 HG3 GLN 49 -6.050 4.220 4.539 392 1HE2 GLN 49 HE21 GLN 49 -5.742 4.796 8.019 393 2HE2 GLN 49 HE22 GLN 49 -7.416 4.419 8.389 394 H ALA 50 HN ALA 50 -1.630 2.397 6.681 395 HA ALA 50 HA ALA 50 -1.090 -0.002 5.407 396 1HB ALA 50 HB1 ALA 50 1.192 0.247 6.148 397 2HB ALA 50 HB2 ALA 50 0.486 1.818 5.730 398 3HB ALA 50 HB3 ALA 50 0.693 1.354 7.446 399 H GLY 51 HN GLY 51 -0.273 -2.023 6.033 400 1HA GLY 51 HA1 GLY 51 -0.385 -3.958 7.282 401 2HA GLY 51 HA2 GLY 51 -1.068 -3.091 8.669 402 H GLY 52 HN GLY 52 -3.106 -1.791 6.615 403 1HA GLY 52 HA1 GLY 52 -5.044 -4.074 6.711 404 2HA GLY 52 HA2 GLY 52 -5.403 -2.362 6.981 405 H ASP 53 HN ASP 53 -6.985 -3.190 5.223 406 HA ASP 53 HA ASP 53 -5.893 -2.790 2.513 407 1HB ASP 53 HB2 ASP 53 -7.515 -4.490 2.403 408 2HB ASP 53 HB3 ASP 53 -8.552 -3.721 3.584 409 H ALA 54 HN ALA 54 -6.294 -1.079 1.296 410 HA ALA 54 HA ALA 54 -7.670 1.255 2.553 411 1HB ALA 54 HB1 ALA 54 -5.845 2.747 1.843 412 2HB ALA 54 HB2 ALA 54 -5.243 1.502 2.953 413 3HB ALA 54 HB3 ALA 54 -4.931 1.355 1.222 414 H THR 55 HN THR 55 -8.111 -0.848 0.219 415 HA THR 55 HA THR 55 -8.057 0.401 -2.248 416 HB THR 55 HB THR 55 -10.269 -1.382 -1.143 417 HG1 THR 55 HG1 THR 55 -8.317 -2.379 -1.002 418 1HG2 THR 55 HG21 THR 55 -10.969 -0.327 -3.271 419 2HG2 THR 55 HG22 THR 55 -9.393 -0.717 -3.991 420 3HG2 THR 55 HG23 THR 55 -10.521 -2.018 -3.554 421 H ALA 56 HN ALA 56 -10.783 0.607 0.101 422 HA ALA 56 HA ALA 56 -12.389 2.357 -1.353 423 1HB ALA 56 HB1 ALA 56 -12.024 2.232 1.680 424 2HB ALA 56 HB2 ALA 56 -13.404 2.957 0.828 425 3HB ALA 56 HB3 ALA 56 -13.113 1.210 0.714 426 H ASN 57 HN ASN 57 -9.734 3.242 0.902 427 HA ASN 57 HA ASN 57 -10.134 6.083 0.707 428 1HB ASN 57 HB2 ASN 57 -7.596 4.505 1.270 429 2HB ASN 57 HB3 ASN 57 -7.810 6.245 1.488 430 1HD2 ASN 57 HD21 ASN 57 -8.093 3.182 2.994 431 2HD2 ASN 57 HD22 ASN 57 -8.787 3.771 4.487 432 H PHE 58 HN PHE 58 -8.177 3.712 -1.153 433 HA PHE 58 HA PHE 58 -6.567 5.660 -2.522 434 1HB PHE 58 HB2 PHE 58 -5.894 3.354 -2.233 435 2HB PHE 58 HB3 PHE 58 -7.309 2.774 -3.102 436 HD1 PHE 58 HD1 PHE 58 -7.107 2.194 -5.358 437 HD2 PHE 58 HD2 PHE 58 -4.231 4.904 -3.611 438 HE1 PHE 58 HE1 PHE 58 -5.683 1.946 -7.333 439 HE2 PHE 58 HE2 PHE 58 -2.878 4.789 -5.681 440 HZ PHE 58 HZ PHE 58 -3.576 3.261 -7.540 441 H GLU 59 HN GLU 59 -9.576 3.912 -3.246 442 HA GLU 59 HA GLU 59 -9.935 5.087 -5.850 443 1HB GLU 59 HB2 GLU 59 -11.777 3.536 -3.980 444 2HB GLU 59 HB3 GLU 59 -12.118 3.885 -5.687 445 1HG GLU 59 HG2 GLU 59 -9.588 2.387 -4.782 446 2HG GLU 59 HG3 GLU 59 -11.074 1.598 -5.202 447 H ALA 60 HN ALA 60 -11.242 5.817 -2.579 448 HA ALA 60 HA ALA 60 -13.024 7.879 -3.311 449 1HB ALA 60 HB1 ALA 60 -12.891 6.964 -1.039 450 2HB ALA 60 HB2 ALA 60 -11.265 7.651 -0.834 451 3HB ALA 60 HB3 ALA 60 -12.666 8.724 -1.017 452 H VAL 61 HN VAL 61 -9.492 8.027 -2.656 453 HA VAL 61 HA VAL 61 -9.257 10.847 -3.283 454 HB VAL 61 HB VAL 61 -7.279 8.563 -3.054 455 1HG1 VAL 61 HG11 VAL 61 -6.712 11.535 -3.466 456 2HG1 VAL 61 HG12 VAL 61 -5.534 10.361 -2.862 457 3HG1 VAL 61 HG13 VAL 61 -6.155 10.187 -4.490 458 1HG2 VAL 61 HG21 VAL 61 -7.829 10.944 -1.234 459 2HG2 VAL 61 HG22 VAL 61 -8.453 9.309 -0.955 460 3HG2 VAL 61 HG23 VAL 61 -6.711 9.600 -0.924 461 H GLY 62 HN GLY 62 -9.930 8.189 -5.351 462 1HA GLY 62 HA1 GLY 62 -10.160 8.173 -7.609 463 2HA GLY 62 HA2 GLY 62 -9.515 9.816 -7.722 464 H HIS 63 HN HIS 63 -7.104 9.932 -7.086 465 HA HIS 63 HA HIS 63 -4.966 9.587 -7.735 466 1HB HIS 63 HB2 HIS 63 -5.712 6.657 -7.380 467 2HB HIS 63 HB3 HIS 63 -4.114 7.198 -7.841 468 HD1 HIS 63 HD1 HIS 63 -6.377 7.103 -4.784 469 HD2 HIS 63 HD2 HIS 63 -2.594 8.383 -6.057 470 HE1 HIS 63 HE1 HIS 63 -5.020 7.577 -2.662 471 H SER 64 HN SER 64 -4.244 10.204 -9.702 472 HA SER 64 HA SER 64 -5.600 9.725 -12.121 473 1HB SER 64 HB2 SER 64 -2.648 10.372 -11.752 474 2HB SER 64 HB3 SER 64 -3.636 10.668 -13.193 475 HG SER 64 HG SER 64 -3.733 11.907 -10.651 476 H THR 65 HN THR 65 -5.122 8.445 -14.001 477 HA THR 65 HA THR 65 -4.574 5.773 -13.830 478 HB THR 65 HB THR 65 -3.627 7.644 -16.058 479 HG1 THR 65 HG1 THR 65 -5.781 7.581 -16.749 480 1HG2 THR 65 HG21 THR 65 -4.329 5.794 -17.540 481 2HG2 THR 65 HG22 THR 65 -3.107 5.233 -16.387 482 3HG2 THR 65 HG23 THR 65 -4.817 4.828 -16.130 483 H ASP 66 HN ASP 66 -2.272 8.427 -14.264 484 HA ASP 66 HA ASP 66 0.131 6.961 -14.536 485 1HB ASP 66 HB2 ASP 66 -0.144 9.664 -13.108 486 2HB ASP 66 HB3 ASP 66 1.159 9.111 -14.155 487 H ALA 67 HN ALA 67 -1.565 8.170 -11.643 488 HA ALA 67 HA ALA 67 0.457 7.389 -9.742 489 1HB ALA 67 HB1 ALA 67 -2.519 7.813 -9.314 490 2HB ALA 67 HB2 ALA 67 -1.276 7.687 -8.061 491 3HB ALA 67 HB3 ALA 67 -1.265 9.056 -9.194 492 H ARG 68 HN ARG 68 -2.503 5.874 -11.026 493 HA ARG 68 HA ARG 68 -2.433 3.434 -9.517 494 1HB ARG 68 HB2 ARG 68 -3.800 4.436 -11.986 495 2HB ARG 68 HB3 ARG 68 -3.529 2.711 -11.940 496 1HG ARG 68 HG2 ARG 68 -5.667 3.079 -11.102 497 2HG ARG 68 HG3 ARG 68 -4.677 2.570 -9.732 498 1HD ARG 68 HD2 ARG 68 -4.590 4.891 -8.905 499 2HD ARG 68 HD3 ARG 68 -5.284 5.477 -10.400 500 HE ARG 68 HE ARG 68 -6.706 3.921 -8.248 501 1HH1 ARG 68 HH22 ARG 68 -7.088 6.406 -10.636 502 2HH1 ARG 68 HH21 ARG 68 -8.671 5.933 -11.165 503 1HH2 ARG 68 HH12 ARG 68 -8.919 3.528 -8.554 504 2HH2 ARG 68 HH11 ARG 68 -9.836 4.399 -9.727 505 H GLU 69 HN GLU 69 -1.088 4.254 -12.704 506 HA GLU 69 HA GLU 69 0.216 1.823 -13.284 507 1HB GLU 69 HB2 GLU 69 0.568 4.681 -14.130 508 2HB GLU 69 HB3 GLU 69 1.646 3.454 -14.723 509 1HG GLU 69 HG2 GLU 69 -1.395 3.505 -15.034 510 2HG GLU 69 HG3 GLU 69 -0.152 3.703 -16.269 511 H LEU 70 HN LEU 70 1.382 4.771 -11.573 512 HA LEU 70 HA LEU 70 4.028 3.876 -11.062 513 1HB LEU 70 HB2 LEU 70 3.632 6.162 -10.827 514 2HB LEU 70 HB3 LEU 70 2.162 5.917 -9.899 515 HG LEU 70 HG LEU 70 3.421 5.165 -7.967 516 1HD1 LEU 70 HD11 LEU 70 5.881 6.032 -9.552 517 2HD1 LEU 70 HD12 LEU 70 5.839 5.649 -7.816 518 3HD1 LEU 70 HD13 LEU 70 5.527 4.378 -9.005 519 1HD2 LEU 70 HD21 LEU 70 4.252 7.415 -7.349 520 2HD2 LEU 70 HD22 LEU 70 4.204 7.899 -9.056 521 3HD2 LEU 70 HD23 LEU 70 2.699 7.505 -8.200 522 H SER 71 HN SER 71 0.981 3.463 -9.131 523 HA SER 71 HA SER 71 1.990 2.134 -6.954 524 1HB SER 71 HB2 SER 71 -0.537 1.249 -8.351 525 2HB SER 71 HB3 SER 71 -0.142 1.251 -6.626 526 HG SER 71 HG SER 71 -1.436 3.038 -7.157 527 H LYS 72 HN LYS 72 1.691 0.780 -10.274 528 HA LYS 72 HA LYS 72 2.017 -1.968 -9.546 529 1HB LYS 72 HB2 LYS 72 2.947 -0.580 -12.073 530 2HB LYS 72 HB3 LYS 72 2.820 -2.319 -11.814 531 1HG LYS 72 HG2 LYS 72 0.391 -2.172 -11.504 532 2HG LYS 72 HG3 LYS 72 0.454 -0.401 -11.672 533 1HD LYS 72 HD2 LYS 72 1.425 -0.619 -13.912 534 2HD LYS 72 HD3 LYS 72 1.350 -2.393 -13.814 535 1HE LYS 72 HE2 LYS 72 -1.115 -2.329 -13.752 536 2HE LYS 72 HE3 LYS 72 -1.076 -0.567 -13.539 537 1HZ LYS 72 HZ1 LYS 72 -1.412 -0.586 -15.691 538 2HZ LYS 72 HZ2 LYS 72 0.146 -0.539 -15.708 539 3HZ LYS 72 HZ3 LYS 72 -0.572 -2.013 -16.032 540 H THR 73 HN THR 73 4.407 0.687 -10.084 541 HA THR 73 HA THR 73 6.731 -0.871 -10.033 542 HB THR 73 HB THR 73 6.435 1.908 -8.846 543 HG1 THR 73 HG1 THR 73 6.332 2.673 -10.923 544 1HG2 THR 73 HG21 THR 73 8.723 0.927 -8.842 545 2HG2 THR 73 HG22 THR 73 8.590 0.618 -10.587 546 3HG2 THR 73 HG23 THR 73 8.608 2.285 -9.975 547 H PHE 74 HN PHE 74 4.484 -0.140 -7.439 548 HA PHE 74 HA PHE 74 6.454 -0.887 -5.331 549 1HB PHE 74 HB2 PHE 74 3.682 0.350 -5.179 550 2HB PHE 74 HB3 PHE 74 4.746 0.037 -3.824 551 HD1 PHE 74 HD1 PHE 74 7.372 1.008 -4.602 552 HD2 PHE 74 HD2 PHE 74 3.479 2.698 -5.358 553 HE1 PHE 74 HE1 PHE 74 8.402 3.203 -5.008 554 HE2 PHE 74 HE2 PHE 74 4.508 4.911 -5.673 555 HZ PHE 74 HZ PHE 74 6.967 5.201 -5.405 556 H ILE 75 HN ILE 75 4.127 -2.380 -7.305 557 HA ILE 75 HA ILE 75 2.878 -4.045 -5.296 558 HB ILE 75 HB ILE 75 3.211 -4.189 -8.277 559 1HG1 ILE 75 HG12 ILE 75 0.862 -3.863 -6.364 560 2HG1 ILE 75 HG13 ILE 75 1.604 -2.625 -7.389 561 1HG2 ILE 75 HG21 ILE 75 1.815 -6.261 -6.482 562 2HG2 ILE 75 HG22 ILE 75 1.765 -6.251 -8.258 563 3HG2 ILE 75 HG23 ILE 75 3.272 -6.581 -7.444 564 1HD1 ILE 75 HD11 ILE 75 -0.092 -4.991 -8.211 565 2HD1 ILE 75 HD12 ILE 75 -0.357 -3.273 -8.548 566 3HD1 ILE 75 HD13 ILE 75 0.947 -4.140 -9.384 567 H ILE 76 HN ILE 76 4.095 -5.164 -3.992 568 HA ILE 76 HA ILE 76 6.581 -6.519 -5.018 569 HB ILE 76 HB ILE 76 7.068 -6.903 -2.601 570 1HG1 ILE 76 HG12 ILE 76 5.102 -4.662 -2.016 571 2HG1 ILE 76 HG13 ILE 76 4.608 -6.356 -1.900 572 1HG2 ILE 76 HG21 ILE 76 8.183 -5.193 -3.965 573 2HG2 ILE 76 HG22 ILE 76 6.911 -4.023 -3.581 574 3HG2 ILE 76 HG23 ILE 76 7.986 -4.627 -2.306 575 1HD1 ILE 76 HD11 ILE 76 6.939 -5.136 -0.363 576 2HD1 ILE 76 HD12 ILE 76 5.328 -5.491 0.278 577 3HD1 ILE 76 HD13 ILE 76 6.377 -6.815 -0.260 578 H GLY 77 HN GLY 77 3.262 -7.170 -4.181 579 1HA GLY 77 HA1 GLY 77 3.539 -9.846 -5.022 580 2HA GLY 77 HA2 GLY 77 3.508 -9.799 -3.242 581 H GLU 78 HN GLU 78 1.507 -11.139 -4.098 582 HA GLU 78 HA GLU 78 -0.864 -9.340 -4.175 583 1HB GLU 78 HB2 GLU 78 -0.695 -12.269 -4.823 584 2HB GLU 78 HB3 GLU 78 -2.165 -11.344 -4.589 585 1HG GLU 78 HG2 GLU 78 -0.739 -9.881 -6.539 586 2HG GLU 78 HG3 GLU 78 -0.587 -11.578 -6.982 587 H LEU 79 HN LEU 79 -2.687 -10.023 -2.760 588 HA LEU 79 HA LEU 79 -1.965 -10.679 -0.043 589 1HB LEU 79 HB2 LEU 79 -3.917 -9.278 -0.728 590 2HB LEU 79 HB3 LEU 79 -4.593 -10.670 -1.588 591 HG LEU 79 HG LEU 79 -4.817 -11.888 0.591 592 1HD1 LEU 79 HD11 LEU 79 -3.923 -9.181 1.669 593 2HD1 LEU 79 HD12 LEU 79 -4.702 -10.433 2.659 594 3HD1 LEU 79 HD13 LEU 79 -3.112 -10.743 1.941 595 1HD2 LEU 79 HD21 LEU 79 -6.151 -9.164 0.432 596 2HD2 LEU 79 HD22 LEU 79 -6.669 -10.626 -0.437 597 3HD2 LEU 79 HD23 LEU 79 -6.752 -10.574 1.334 598 H HIS 80 HN HIS 80 -1.753 -12.786 0.812 599 HA HIS 80 HA HIS 80 -1.722 -15.010 -0.826 600 1HB HIS 80 HB2 HIS 80 -0.939 -14.609 1.680 601 2HB HIS 80 HB3 HIS 80 -2.464 -15.384 2.081 602 HD1 HIS 80 HD1 HIS 80 -2.537 -18.103 1.407 603 HD2 HIS 80 HD2 HIS 80 1.006 -15.980 0.508 604 HE1 HIS 80 HE1 HIS 80 -0.910 -19.776 0.652 605 HA PRO 81 HA PRO 81 -5.957 -15.792 -1.689 606 1HB PRO 81 HB2 PRO 81 -5.990 -18.576 -2.029 607 2HB PRO 81 HB3 PRO 81 -5.552 -17.334 -3.232 608 1HG PRO 81 HG2 PRO 81 -3.715 -18.915 -1.394 609 2HG PRO 81 HG3 PRO 81 -3.498 -18.621 -3.146 610 1HD PRO 81 HD2 PRO 81 -2.165 -17.150 -1.354 611 2HD PRO 81 HD3 PRO 81 -2.913 -16.335 -2.752 612 H ASP 82 HN ASP 82 -4.453 -17.973 0.809 613 HA ASP 82 HA ASP 82 -6.689 -18.732 2.167 614 1HB ASP 82 HB2 ASP 82 -4.078 -17.742 3.383 615 2HB ASP 82 HB3 ASP 82 -5.248 -18.829 4.142 616 H ASP 83 HN ASP 83 -5.449 -15.424 1.967 617 HA ASP 83 HA ASP 83 -7.185 -14.479 4.189 618 1HB ASP 83 HB2 ASP 83 -4.972 -13.178 2.552 619 2HB ASP 83 HB3 ASP 83 -5.948 -12.338 3.760 620 H ARG 84 HN ARG 84 -7.563 -15.066 0.838 621 HA ARG 84 HA ARG 84 -8.620 -12.374 0.248 622 1HB ARG 84 HB2 ARG 84 -6.881 -13.542 -1.101 623 2HB ARG 84 HB3 ARG 84 -8.130 -14.691 -1.635 624 1HG ARG 84 HG2 ARG 84 -9.495 -12.756 -2.477 625 2HG ARG 84 HG3 ARG 84 -8.192 -11.656 -2.019 626 1HD ARG 84 HD2 ARG 84 -8.096 -13.861 -4.118 627 2HD ARG 84 HD3 ARG 84 -8.113 -12.108 -4.397 628 HE ARG 84 HE ARG 84 -5.887 -13.162 -2.758 629 1HH1 ARG 84 HH22 ARG 84 -6.778 -12.113 -6.097 630 2HH1 ARG 84 HH21 ARG 84 -5.048 -12.020 -6.506 631 1HH2 ARG 84 HH12 ARG 84 -3.742 -13.093 -3.545 632 2HH2 ARG 84 HH11 ARG 84 -3.521 -12.638 -5.248 633 HHA HEM 201 HGM HEM 201 -2.500 12.916 -4.000 634 HHB HEM 201 HDM HEM 201 0.929 7.991 -6.392 635 HHC HEM 201 HAM HEM 201 -1.544 4.125 -1.881 636 HHD HEM 201 HBM HEM 201 -4.520 9.149 0.849 637 1HMA HEM 201 HM81 HEM 201 1.400 11.650 -7.330 638 2HMA HEM 201 HM82 HEM 201 1.738 9.926 -7.242 639 3HMA HEM 201 HM83 HEM 201 0.392 10.516 -8.247 640 1HAA HEM 201 HP72 HEM 201 -0.520 12.988 -7.281 641 2HAA HEM 201 HP71 HEM 201 -1.168 13.666 -5.806 642 1HBA HEM 201 HP74 HEM 201 -3.204 11.892 -6.593 643 2HBA HEM 201 HP73 HEM 201 -3.188 13.634 -6.872 644 1HMB HEM 201 HM11 HEM 201 1.652 4.227 -6.015 645 2HMB HEM 201 HM13 HEM 201 2.326 5.861 -6.023 646 3HMB HEM 201 HM12 HEM 201 0.967 5.446 -7.092 647 HAB HEM 201 HT2A HEM 201 0.758 3.163 -3.119 648 1HBB HEM 201 HV2T HEM 201 -0.859 1.546 -3.650 649 2HBB HEM 201 HV2C HEM 201 -1.496 2.610 -5.035 650 1HMC HEM 201 HM32 HEM 201 -3.315 4.076 1.541 651 2HMC HEM 201 HM33 HEM 201 -3.543 3.443 -0.100 652 3HMC HEM 201 HM31 HEM 201 -1.906 3.748 0.524 653 HAC HEM 201 HT4A HEM 201 -3.510 7.391 2.590 654 1HBC HEM 201 HV4C HEM 201 -5.546 5.233 1.899 655 2HBC HEM 201 HV4T HEM 201 -5.527 6.334 3.410 656 1HMD HEM 201 HM51 HEM 201 -5.365 12.873 0.478 657 2HMD HEM 201 HM52 HEM 201 -5.703 11.187 0.862 658 3HMD HEM 201 HM53 HEM 201 -4.221 11.952 1.484 659 1HAD HEM 201 HP62 HEM 201 -3.029 14.220 -2.195 660 2HAD HEM 201 HP61 HEM 201 -3.930 14.183 -0.701 661 1HBD HEM 201 HP63 HEM 201 -5.099 13.837 -3.488 662 2HBD HEM 201 HP64 HEM 201 -6.023 13.702 -1.979
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