NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
1428 | 1akk | 4189 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HN GLY 1 -12.396 9.510 9.502 2 2H GLY 1 2HN GLY 1 -11.784 8.021 9.866 3 3H GLY 1 3HN GLY 1 -10.763 9.232 9.280 4 1HA GLY 1 2HA GLY 1 -11.039 8.105 7.400 5 2HA GLY 1 1HA GLY 1 -12.705 7.661 7.822 6 H ASP 2 H ASP 2 -10.995 9.670 5.763 7 HA ASP 2 HA ASP 2 -13.414 10.954 5.000 8 1HB ASP 2 1HB ASP 2 -12.689 12.488 6.898 9 2HB ASP 2 2HB ASP 2 -11.245 12.876 5.942 10 H VAL 3 H VAL 3 -13.289 11.170 2.858 11 HA VAL 3 HA VAL 3 -10.982 10.336 1.354 12 HB VAL 3 HB VAL 3 -13.316 9.979 0.629 13 1HG1 VAL 3 1HG1 VAL 3 -14.263 12.212 1.359 14 2HG1 VAL 3 2HG1 VAL 3 -13.423 12.956 -0.021 15 3HG1 VAL 3 3HG1 VAL 3 -14.680 11.742 -0.294 16 1HG2 VAL 3 1HG2 VAL 3 -11.541 9.931 -1.057 17 2HG2 VAL 3 2HG2 VAL 3 -13.034 10.607 -1.727 18 3HG2 VAL 3 3HG2 VAL 3 -11.689 11.682 -1.311 19 H GLU 4 H GLU 4 -12.314 13.504 2.361 20 HA GLU 4 HA GLU 4 -10.919 15.067 0.388 21 1HB GLU 4 1HB GLU 4 -13.045 15.724 1.592 22 2HB GLU 4 2HB GLU 4 -12.119 15.892 3.085 23 1HG GLU 4 2HG GLU 4 -10.673 17.596 1.946 24 2HG GLU 4 3HG GLU 4 -11.685 17.433 0.496 25 H LYS 5 H LYS 5 -10.504 14.440 3.881 26 HA LYS 5 HA LYS 5 -7.987 15.767 4.091 27 1HB LYS 5 1HB LYS 5 -9.735 14.758 5.902 28 2HB LYS 5 2HB LYS 5 -8.556 13.436 5.909 29 1HG LYS 5 2HG LYS 5 -6.761 15.204 6.314 30 2HG LYS 5 3HG LYS 5 -8.071 16.402 6.392 31 1HD LYS 5 2HD LYS 5 -9.109 14.916 8.257 32 2HD LYS 5 3HD LYS 5 -7.606 13.999 8.221 33 1HE LYS 5 2HE LYS 5 -7.381 15.568 10.014 34 2HE LYS 5 3HE LYS 5 -6.350 16.169 8.708 35 1HZ LYS 5 3HZ LYS 5 -9.065 17.135 9.365 36 2HZ LYS 5 2HZ LYS 5 -7.659 17.916 9.699 37 3HZ LYS 5 1HZ LYS 5 -8.135 17.714 8.141 38 H GLY 6 H GLY 6 -8.870 12.322 3.540 39 1HA GLY 6 1HA GLY 6 -6.270 11.286 3.554 40 2HA GLY 6 2HA GLY 6 -7.653 10.555 2.760 41 H LYS 7 H LYS 7 -8.079 12.848 0.920 42 HA LYS 7 HA LYS 7 -6.827 12.213 -1.362 43 1HB LYS 7 1HB LYS 7 -8.621 14.006 -0.970 44 2HB LYS 7 2HB LYS 7 -7.289 15.092 -0.564 45 1HG LYS 7 2HG LYS 7 -7.705 15.582 -2.787 46 2HG LYS 7 3HG LYS 7 -6.309 14.515 -2.885 47 1HD LYS 7 2HD LYS 7 -7.460 13.254 -4.338 48 2HD LYS 7 3HD LYS 7 -8.510 12.752 -2.997 49 1HE LYS 7 2HE LYS 7 -10.014 14.687 -3.453 50 2HE LYS 7 3HE LYS 7 -8.960 15.196 -4.786 51 1HZ LYS 7 1HZ LYS 7 -9.471 13.129 -5.904 52 2HZ LYS 7 3HZ LYS 7 -10.467 12.666 -4.677 53 3HZ LYS 7 2HZ LYS 7 -10.836 13.980 -5.586 54 H LYS 8 H LYS 8 -5.368 14.328 1.106 55 HA LYS 8 HA LYS 8 -2.934 14.583 -0.602 56 1HB LYS 8 1HB LYS 8 -4.356 16.582 0.124 57 2HB LYS 8 2HB LYS 8 -3.681 16.311 1.730 58 1HG LYS 8 2HG LYS 8 -2.089 17.742 1.042 59 2HG LYS 8 3HG LYS 8 -1.371 16.362 0.222 60 1HD LYS 8 2HD LYS 8 -3.266 18.426 -1.004 61 2HD LYS 8 3HD LYS 8 -1.508 18.369 -1.195 62 1HE LYS 8 2HE LYS 8 -1.754 16.082 -2.244 63 2HE LYS 8 3HE LYS 8 -3.512 16.299 -2.223 64 1HZ LYS 8 2HZ LYS 8 -3.191 18.240 -3.633 65 2HZ LYS 8 3HZ LYS 8 -1.564 17.989 -3.658 66 3HZ LYS 8 1HZ LYS 8 -2.574 16.887 -4.332 67 H ILE 9 H ILE 9 -3.861 12.475 1.794 68 HA ILE 9 HA ILE 9 -1.569 12.893 3.564 69 HB ILE 9 HB ILE 9 -4.048 12.371 4.335 70 1HG1 ILE 9 2HG1 ILE 9 -1.483 11.087 5.388 71 2HG1 ILE 9 3HG1 ILE 9 -2.169 12.666 5.816 72 1HG2 ILE 9 3HG2 ILE 9 -4.277 10.211 2.983 73 2HG2 ILE 9 1HG2 ILE 9 -3.044 9.523 4.038 74 3HG2 ILE 9 2HG2 ILE 9 -4.597 10.057 4.694 75 1HD1 ILE 9 2HD1 ILE 9 -4.201 11.411 6.684 76 2HD1 ILE 9 3HD1 ILE 9 -3.238 9.913 6.509 77 3HD1 ILE 9 1HD1 ILE 9 -2.687 11.191 7.607 78 H PHE 10 H PHE 10 -3.095 10.515 1.369 79 HA PHE 10 HA PHE 10 -1.159 8.477 1.473 80 1HB PHE 10 1HB PHE 10 -3.096 8.044 0.163 81 2HB PHE 10 2HB PHE 10 -2.929 9.554 -0.737 82 HD1 PHE 10 HD2 PHE 10 -0.712 6.595 -0.044 83 HD2 PHE 10 HD1 PHE 10 -2.273 9.299 -3.007 84 HE1 PHE 10 HE2 PHE 10 0.862 5.693 -1.736 85 HE2 PHE 10 HE1 PHE 10 -0.627 8.446 -4.639 86 HZ PHE 10 HZ PHE 10 0.905 6.616 -4.011 87 H VAL 11 H VAL 11 -1.263 11.305 -0.825 88 HA VAL 11 HA VAL 11 1.111 10.463 -1.928 89 HB VAL 11 HB VAL 11 1.058 12.569 -3.097 90 1HG1 VAL 11 2HG1 VAL 11 -0.503 10.736 -3.796 91 2HG1 VAL 11 3HG1 VAL 11 -1.784 11.511 -2.833 92 3HG1 VAL 11 1HG1 VAL 11 -1.093 12.338 -4.240 93 1HG2 VAL 11 3HG2 VAL 11 -1.068 13.427 -1.199 94 2HG2 VAL 11 1HG2 VAL 11 0.504 14.207 -1.564 95 3HG2 VAL 11 2HG2 VAL 11 -0.765 14.168 -2.796 96 H GLN 12 H GLN 12 0.567 13.124 0.416 97 HA GLN 12 HA GLN 12 3.311 13.847 0.664 98 1HB GLN 12 1HB GLN 12 1.055 13.985 2.713 99 2HB GLN 12 2HB GLN 12 2.719 14.502 3.023 100 1HG GLN 12 2HG GLN 12 2.552 15.998 0.957 101 2HG GLN 12 3HG GLN 12 0.814 15.663 0.969 102 1HE2 GLN 12 2HE2 GLN 12 0.844 18.710 2.901 103 2HE2 GLN 12 1HE2 GLN 12 0.582 18.060 1.291 104 H LYS 13 H LYS 13 1.500 11.081 2.131 105 HA LYS 13 HA LYS 13 3.855 10.431 3.752 106 1HB LYS 13 1HB LYS 13 1.385 8.834 3.009 107 2HB LYS 13 2HB LYS 13 2.697 8.171 3.985 108 1HG LYS 13 2HG LYS 13 1.217 10.719 4.718 109 2HG LYS 13 3HG LYS 13 0.715 9.114 5.269 110 1HD LYS 13 3HD LYS 13 2.879 8.778 6.411 111 2HD LYS 13 2HD LYS 13 3.474 10.314 5.796 112 1HE LYS 13 2HE LYS 13 1.176 11.177 7.023 113 2HE LYS 13 3HE LYS 13 1.592 9.798 8.048 114 1HZ LYS 13 2HZ LYS 13 3.789 10.786 8.318 115 2HZ LYS 13 3HZ LYS 13 3.346 12.071 7.387 116 3HZ LYS 13 1HZ LYS 13 2.606 11.809 8.830 117 H CYS 14 H CYS 14 2.750 9.473 0.509 118 HA CYS 14 HA CYS 14 5.242 8.004 0.011 119 1HB CYS 14 1HB CYS 14 4.019 5.834 -0.003 120 2HB CYS 14 2HB CYS 14 4.357 6.587 1.570 121 H ALA 15 H ALA 15 3.538 9.997 -1.521 122 HA ALA 15 HA ALA 15 2.560 8.516 -3.780 123 1HB ALA 15 1HB ALA 15 3.308 11.360 -3.454 124 2HB ALA 15 2HB ALA 15 3.073 10.625 -5.067 125 3HB ALA 15 1HB ALA 15 1.763 10.532 -3.911 126 H GLN 16 H GLN 16 5.815 9.754 -2.841 127 HA GLN 16 HA GLN 16 6.862 9.977 -5.321 128 1HB GLN 16 1HB GLN 16 7.973 10.768 -3.269 129 2HB GLN 16 2HB GLN 16 8.322 9.095 -2.797 130 1HG GLN 16 2HG GLN 16 10.318 10.119 -3.716 131 2HG GLN 16 3HG GLN 16 9.755 8.829 -4.775 132 1HE2 GLN 16 2HE2 GLN 16 8.599 11.238 -7.282 133 2HE2 GLN 16 1HE2 GLN 16 8.419 9.566 -6.718 134 H CYS 17 H CYS 17 6.426 7.009 -3.517 135 HA CYS 17 HA CYS 17 7.777 5.317 -5.540 136 1HB CYS 17 1HB CYS 17 6.376 4.494 -2.996 137 2HB CYS 17 2HB CYS 17 7.451 3.541 -4.036 138 H HIS 18 H HEM 18 4.538 6.469 -4.838 139 HA HIS 18 HA HEM 18 3.407 4.099 -6.298 140 1HB HIS 18 1HB HEM 18 2.698 5.131 -3.545 141 2HB HIS 18 2HB HEM 18 1.542 4.232 -4.512 142 HD2 HIS 18 HD HEM 18 4.019 3.687 -1.934 143 HE1 HIS 18 HE HEM 18 2.859 -0.119 -3.417 144 H THR 19 H THR 19 1.381 4.311 -7.177 145 HA THR 19 HA THR 19 0.308 7.039 -7.621 146 HB THR 19 HB THR 19 0.121 4.635 -9.353 147 HG1 THR 19 1HG THR 19 2.058 5.404 -10.444 148 1HG2 THR 19 2HG2 THR 19 -1.116 6.700 -9.988 149 2HG2 THR 19 3HG2 THR 19 0.472 7.424 -10.271 150 3HG2 THR 19 1HG2 THR 19 -0.011 5.926 -11.155 151 H VAL 20 H VAL 20 -2.112 7.046 -7.802 152 HA VAL 20 HA VAL 20 -3.488 4.615 -6.762 153 HB VAL 20 HB VAL 20 -5.168 6.061 -5.967 154 1HG1 VAL 20 3HG1 VAL 20 -2.935 5.807 -4.704 155 2HG1 VAL 20 1HG1 VAL 20 -2.715 7.519 -5.145 156 3HG1 VAL 20 2HG1 VAL 20 -4.121 7.016 -4.187 157 1HG2 VAL 20 2HG2 VAL 20 -5.189 7.796 -7.782 158 2HG2 VAL 20 3HG2 VAL 20 -5.171 8.480 -6.162 159 3HG2 VAL 20 1HG2 VAL 20 -3.680 8.461 -7.122 160 H GLU 21 H GLU 21 -2.894 6.249 -9.645 161 HA GLU 21 HA GLU 21 -4.975 4.867 -11.054 162 1HB GLU 21 1HB GLU 21 -6.184 6.961 -10.140 163 2HB GLU 21 2HB GLU 21 -5.129 7.908 -11.191 164 1HG GLU 21 2HG GLU 21 -5.999 6.253 -13.075 165 2HG GLU 21 3HG GLU 21 -7.269 5.878 -11.906 166 H LYS 22 H LYS 22 -2.881 7.810 -11.402 167 HA LYS 22 HA LYS 22 -1.588 6.753 -13.856 168 1HB LYS 22 1HB LYS 22 -3.618 8.976 -13.566 169 2HB LYS 22 2HB LYS 22 -2.383 9.148 -14.799 170 1HG LYS 22 2HG LYS 22 -3.159 7.426 -16.125 171 2HG LYS 22 3HG LYS 22 -3.993 6.604 -14.792 172 1HD LYS 22 2HD LYS 22 -5.565 8.449 -14.571 173 2HD LYS 22 3HD LYS 22 -4.808 9.332 -15.899 174 1HE LYS 22 2HE LYS 22 -5.595 7.768 -17.525 175 2HE LYS 22 3HE LYS 22 -5.898 6.516 -16.305 176 1HZ LYS 22 2HZ LYS 22 -7.444 9.012 -16.487 177 2HZ LYS 22 3HZ LYS 22 -7.953 7.528 -17.005 178 3HZ LYS 22 1HZ LYS 22 -7.663 7.807 -15.414 179 H GLY 23 H GLY 23 -0.097 8.457 -14.749 180 1HA GLY 23 1HA GLY 23 1.297 10.268 -14.665 181 2HA GLY 23 2HA GLY 23 0.603 10.746 -13.109 182 H GLY 24 H GLY 24 1.131 8.953 -11.351 183 1HA GLY 24 1HA GLY 24 3.989 8.896 -10.899 184 2HA GLY 24 2HA GLY 24 2.764 8.039 -9.953 185 H LYS 25 H LYS 25 5.444 7.252 -11.282 186 HA LYS 25 HA LYS 25 4.579 5.102 -13.174 187 1HB LYS 25 1HB LYS 25 7.202 6.597 -12.838 188 2HB LYS 25 2HB LYS 25 6.923 5.320 -14.032 189 1HG LYS 25 2HG LYS 25 5.321 6.638 -15.244 190 2HG LYS 25 3HG LYS 25 5.161 7.786 -13.925 191 1HD LYS 25 2HD LYS 25 7.725 8.248 -14.320 192 2HD LYS 25 3HD LYS 25 7.391 7.565 -15.926 193 1HE LYS 25 2HE LYS 25 5.486 9.184 -16.176 194 2HE LYS 25 3HE LYS 25 5.862 9.878 -14.590 195 1HZ LYS 25 1HZ LYS 25 7.753 10.259 -15.224 196 2HZ LYS 25 2HZ LYS 25 7.509 11.293 -15.935 197 3HZ LYS 25 3HZ LYS 25 6.425 10.830 -16.359 198 H HIS 26 H HIS 26 6.023 3.173 -13.108 199 HA HIS 26 HA HIS 26 6.213 2.088 -10.441 200 1HB HIS 26 1HB HIS 26 6.948 1.085 -13.218 201 2HB HIS 26 2HB HIS 26 7.212 0.138 -11.761 202 HD1 HIS 26 HD1 HIS 26 4.979 -0.537 -10.332 203 HD2 HIS 26 HD2 HIS 26 4.360 1.285 -14.065 204 HE1 HIS 26 HE1 HIS 26 2.519 -0.840 -10.861 205 H LYS 27 H LYS 27 7.632 3.964 -9.754 206 HA LYS 27 HA LYS 27 10.505 3.802 -10.371 207 1HB LYS 27 1HB LYS 27 8.746 5.326 -8.405 208 2HB LYS 27 2HB LYS 27 10.495 5.225 -8.153 209 1HG LYS 27 2HG LYS 27 10.951 6.203 -10.313 210 2HG LYS 27 3HG LYS 27 9.214 6.297 -10.694 211 1HD LYS 27 2HD LYS 27 8.802 7.885 -8.958 212 2HD LYS 27 3HD LYS 27 10.323 7.517 -8.133 213 1HE LYS 27 2HE LYS 27 11.628 8.502 -9.993 214 2HE LYS 27 3HE LYS 27 10.125 8.924 -10.835 215 1HZ LYS 27 2HZ LYS 27 10.910 9.920 -8.162 216 2HZ LYS 27 3HZ LYS 27 11.054 10.767 -9.566 217 3HZ LYS 27 1HZ LYS 27 9.571 10.343 -8.989 218 H THR 28 H THR 28 8.580 3.335 -7.390 219 HA THR 28 HA THR 28 10.114 0.932 -6.675 220 HB THR 28 HB THR 28 10.184 3.350 -4.822 221 HG1 THR 28 1HG THR 28 11.868 2.642 -6.949 222 1HG2 THR 28 3HG2 THR 28 11.901 0.825 -4.964 223 2HG2 THR 28 1HG2 THR 28 12.129 2.177 -3.839 224 3HG2 THR 28 2HG2 THR 28 10.691 1.164 -3.712 225 H GLY 29 H GLY 29 7.084 1.963 -7.158 226 1HA GLY 29 1HA GLY 29 6.137 0.106 -5.264 227 2HA GLY 29 2HA GLY 29 5.620 1.775 -4.922 228 HA PRO 30 HA PRO 30 3.675 0.088 -8.867 229 1HB PRO 30 1HB PRO 30 1.770 -1.793 -8.271 230 2HB PRO 30 2HB PRO 30 3.505 -2.185 -8.495 231 1HG PRO 30 2HG PRO 30 2.111 -1.543 -5.908 232 2HG PRO 30 3HG PRO 30 3.116 -2.999 -6.263 233 1HD PRO 30 2HD PRO 30 4.168 -0.949 -4.961 234 2HD PRO 30 3HD PRO 30 5.069 -1.713 -6.280 235 H ASN 31 H ASN 31 1.958 0.930 -9.760 236 HA ASN 31 HA ASN 31 0.337 2.806 -8.428 237 1HB ASN 31 1HB ASN 31 0.906 3.058 -10.781 238 2HB ASN 31 2HB ASN 31 0.167 1.539 -11.188 239 1HD2 ASN 31 2HD2 ASN 31 -2.365 3.681 -12.460 240 2HD2 ASN 31 1HD2 ASN 31 -0.909 2.791 -12.865 241 H LEU 32 H LEU 32 -1.170 2.425 -7.000 242 HA LEU 32 HA LEU 32 -2.428 -0.163 -6.675 243 1HB LEU 32 1HB LEU 32 -2.700 2.494 -5.228 244 2HB LEU 32 2HB LEU 32 -3.387 0.979 -4.649 245 HG LEU 32 HG LEU 32 -0.454 0.878 -5.223 246 1HD1 LEU 32 3HD1 LEU 32 -1.549 2.521 -2.909 247 2HD1 LEU 32 1HD1 LEU 32 0.142 2.018 -3.118 248 3HD1 LEU 32 2HD1 LEU 32 -0.600 3.129 -4.282 249 1HD2 LEU 32 1HD2 LEU 32 -1.671 -1.015 -4.232 250 2HD2 LEU 32 3HD2 LEU 32 -0.426 -0.388 -3.138 251 3HD2 LEU 32 2HD2 LEU 32 -2.133 0.007 -2.847 252 H HIS 33 H HIS 33 -3.399 0.409 -9.071 253 HA HIS 33 HA HIS 33 -5.776 2.075 -8.952 254 1HB HIS 33 1HB HIS 33 -6.024 1.759 -11.192 255 2HB HIS 33 2HB HIS 33 -4.280 1.741 -10.961 256 HD1 HIS 33 HD1 HIS 33 -5.720 0.519 -13.511 257 HD2 HIS 33 HD2 HIS 33 -4.621 -1.649 -10.078 258 HE1 HIS 33 HE1 HIS 33 -5.599 -1.934 -14.202 259 H GLY 34 H GLY 34 -5.485 -0.762 -7.440 260 1HA GLY 34 1HA GLY 34 -8.315 -1.464 -7.467 261 2HA GLY 34 2HA GLY 34 -7.308 -2.582 -8.387 262 H LEU 35 H LEU 35 -8.144 -1.464 -5.170 263 HA LEU 35 HA LEU 35 -6.366 -3.574 -3.991 264 1HB LEU 35 1HB LEU 35 -6.516 -0.766 -3.366 265 2HB LEU 35 2HB LEU 35 -7.302 -1.584 -2.070 266 HG LEU 35 HG LEU 35 -5.347 -2.988 -1.677 267 1HD1 LEU 35 2HD1 LEU 35 -4.113 -1.464 -4.012 268 2HD1 LEU 35 3HD1 LEU 35 -3.171 -2.376 -2.808 269 3HD1 LEU 35 1HD1 LEU 35 -4.277 -3.226 -3.872 270 1HD2 LEU 35 1HD2 LEU 35 -5.595 -0.706 -0.640 271 2HD2 LEU 35 2HD2 LEU 35 -3.906 -1.240 -0.799 272 3HD2 LEU 35 3HD2 LEU 35 -4.581 -0.050 -1.935 273 H PHE 36 H PHE 36 -7.993 -3.321 -1.465 274 HA PHE 36 HA PHE 36 -9.833 -4.301 -0.555 275 1HB PHE 36 1HB PHE 36 -10.995 -2.350 -2.561 276 2HB PHE 36 2HB PHE 36 -11.676 -2.792 -1.012 277 HD1 PHE 36 HD2 PHE 36 -10.065 -2.406 1.109 278 HD2 PHE 36 HD1 PHE 36 -9.848 -0.290 -2.640 279 HE1 PHE 36 HE2 PHE 36 -8.619 -0.687 2.160 280 HE2 PHE 36 HE1 PHE 36 -8.406 1.406 -1.596 281 HZ PHE 36 HZ PHE 36 -7.872 1.286 0.830 282 H GLY 37 H GLY 37 -9.284 -6.399 -1.860 283 1HA GLY 37 1HA GLY 37 -11.048 -8.147 -2.512 284 2HA GLY 37 2HA GLY 37 -11.494 -7.035 -3.812 285 H ARG 38 H ARG 38 -8.939 -6.036 -4.535 286 HA ARG 38 HA ARG 38 -7.846 -8.272 -6.057 287 1HB ARG 38 1HB ARG 38 -6.964 -5.418 -5.553 288 2HB ARG 38 2HB ARG 38 -5.896 -6.566 -6.343 289 1HG ARG 38 2HG ARG 38 -8.334 -6.943 -7.703 290 2HG ARG 38 3HG ARG 38 -8.287 -5.202 -7.423 291 1HD ARG 38 2HD ARG 38 -6.191 -4.989 -8.527 292 2HD ARG 38 3HD ARG 38 -5.895 -6.734 -8.552 293 HE ARG 38 HE ARG 38 -8.045 -6.856 -9.968 294 1HH1 ARG 38 2HH2 ARG 38 -5.543 -4.398 -10.254 295 2HH1 ARG 38 1HH2 ARG 38 -5.812 -4.003 -11.896 296 1HH2 ARG 38 2HH1 ARG 38 -8.254 -6.679 -12.244 297 2HH2 ARG 38 1HH1 ARG 38 -7.296 -5.536 -13.128 298 H LYS 39 H LYS 39 -5.595 -8.944 -5.906 299 HA LYS 39 HA LYS 39 -5.336 -10.144 -3.297 300 1HB LYS 39 1HB LYS 39 -3.703 -10.469 -5.834 301 2HB LYS 39 2HB LYS 39 -3.607 -11.522 -4.414 302 1HG LYS 39 2HG LYS 39 -5.915 -12.244 -4.693 303 2HG LYS 39 3HG LYS 39 -6.167 -11.109 -6.028 304 1HD LYS 39 2HD LYS 39 -4.340 -12.237 -7.311 305 2HD LYS 39 3HD LYS 39 -4.228 -13.455 -6.023 306 1HE LYS 39 2HE LYS 39 -6.598 -14.096 -6.407 307 2HE LYS 39 3HE LYS 39 -6.768 -12.819 -7.622 308 1HZ LYS 39 1HZ LYS 39 -5.130 -13.952 -8.966 309 2HZ LYS 39 2HZ LYS 39 -4.988 -15.153 -7.850 310 3HZ LYS 39 3HZ LYS 39 -6.410 -14.932 -8.644 311 H THR 40 H THR 40 -3.087 -10.408 -2.307 312 HA THR 40 HA THR 40 -1.428 -8.118 -2.035 313 HB THR 40 HB THR 40 0.096 -10.010 -1.078 314 HG1 THR 40 1HG THR 40 -0.771 -11.804 -2.039 315 1HG2 THR 40 3HG2 THR 40 -2.684 -9.475 -0.025 316 2HG2 THR 40 1HG2 THR 40 -1.431 -10.449 0.799 317 3HG2 THR 40 2HG2 THR 40 -1.150 -8.719 0.456 318 H GLY 41 H GLY 41 0.892 -10.436 -2.825 319 1HA GLY 41 1HA GLY 41 1.959 -8.971 -4.919 320 2HA GLY 41 2HA GLY 41 2.274 -10.684 -4.591 321 H GLN 42 H GLN 42 1.582 -8.850 -6.978 322 HA GLN 42 HA GLN 42 1.070 -10.156 -9.157 323 1HB GLN 42 1HB GLN 42 -1.593 -10.179 -7.699 324 2HB GLN 42 2HB GLN 42 -1.509 -10.204 -9.451 325 1HG GLN 42 2HG GLN 42 0.172 -12.291 -8.122 326 2HG GLN 42 3HG GLN 42 -1.582 -12.449 -7.985 327 1HE2 GLN 42 2HE2 GLN 42 0.281 -13.118 -11.558 328 2HE2 GLN 42 1HE2 GLN 42 1.177 -12.470 -10.197 329 H ALA 43 H ALA 43 2.145 -7.845 -8.634 330 HA ALA 43 HA ALA 43 0.344 -5.595 -8.904 331 1HB ALA 43 1HB ALA 43 3.363 -5.829 -9.043 332 2HB ALA 43 2HB ALA 43 2.464 -4.298 -8.996 333 3HB ALA 43 1HB ALA 43 2.404 -5.403 -7.608 334 HA PRO 44 HA PRO 44 0.281 -5.765 -13.371 335 1HB PRO 44 1HB PRO 44 -0.605 -3.276 -14.031 336 2HB PRO 44 2HB PRO 44 -1.629 -4.469 -13.183 337 1HG PRO 44 2HG PRO 44 -0.039 -2.201 -11.949 338 2HG PRO 44 3HG PRO 44 -1.753 -2.612 -11.668 339 1HD PRO 44 2HD PRO 44 0.234 -3.447 -9.992 340 2HD PRO 44 3HD PRO 44 -1.174 -4.493 -10.351 341 H GLY 45 H GLY 45 2.443 -6.041 -14.002 342 1HA GLY 45 1HA GLY 45 4.372 -5.440 -15.115 343 2HA GLY 45 2HA GLY 45 3.614 -3.872 -15.440 344 H PHE 46 H PHE 46 4.942 -5.684 -12.616 345 HA PHE 46 HA PHE 46 6.763 -3.504 -11.932 346 1HB PHE 46 1HB PHE 46 4.613 -2.849 -10.874 347 2HB PHE 46 2HB PHE 46 4.503 -4.432 -10.149 348 HD1 PHE 46 HD1 PHE 46 6.806 -1.498 -10.278 349 HD2 PHE 46 HD2 PHE 46 5.420 -4.821 -7.956 350 HE1 PHE 46 HE1 PHE 46 8.095 -0.653 -8.337 351 HE2 PHE 46 HE2 PHE 46 6.901 -4.131 -6.109 352 HZ PHE 46 HZ PHE 46 8.226 -2.038 -6.277 353 H THR 47 H THR 47 7.936 -4.247 -9.878 354 HA THR 47 HA THR 47 8.590 -7.145 -10.101 355 HB THR 47 HB THR 47 10.621 -4.878 -10.109 356 HG1 THR 47 1HG THR 47 10.832 -5.478 -12.326 357 1HG2 THR 47 1HG2 THR 47 10.859 -7.872 -10.694 358 2HG2 THR 47 2HG2 THR 47 12.174 -6.685 -10.811 359 3HG2 THR 47 3HG2 THR 47 11.460 -7.060 -9.233 360 H TYR 48 H TYR 48 7.308 -7.216 -8.182 361 HA TYR 48 HA TYR 48 8.245 -5.955 -5.723 362 1HB TYR 48 1HB TYR 48 6.590 -7.650 -4.705 363 2HB TYR 48 2HB TYR 48 5.933 -6.391 -5.734 364 HD1 TYR 48 HD1 TYR 48 7.067 -9.993 -5.876 365 HD2 TYR 48 HD2 TYR 48 4.590 -6.924 -7.577 366 HE1 TYR 48 HE1 TYR 48 6.375 -11.545 -7.669 367 HE2 TYR 48 HE2 TYR 48 4.013 -8.433 -9.461 368 HH TYR 48 HH TYR 48 4.405 -10.488 -10.434 369 H THR 49 H THR 49 8.935 -7.376 -3.838 370 HA THR 49 HA THR 49 10.918 -9.375 -4.724 371 HB THR 49 HB THR 49 11.526 -9.594 -2.419 372 HG1 THR 49 1HG THR 49 9.227 -8.031 -1.861 373 1HG2 THR 49 1HG2 THR 49 12.428 -7.611 -3.553 374 2HG2 THR 49 2HG2 THR 49 11.033 -6.655 -3.022 375 3HG2 THR 49 3HG2 THR 49 12.160 -7.312 -1.821 376 H ASP 50 H ASP 50 10.886 -11.615 -4.097 377 HA ASP 50 HA ASP 50 8.512 -12.921 -4.256 378 1HB ASP 50 1HB ASP 50 11.136 -13.823 -3.055 379 2HB ASP 50 2HB ASP 50 9.748 -14.901 -3.265 380 H ALA 51 H ALA 51 9.686 -11.257 -1.402 381 HA ALA 51 HA ALA 51 8.284 -12.771 0.582 382 1HB ALA 51 2HB ALA 51 9.994 -11.127 1.142 383 2HB ALA 51 1HB ALA 51 8.958 -9.807 0.538 384 3HB ALA 51 1HB ALA 51 8.461 -10.753 1.954 385 H ASN 52 H ASN 52 7.292 -9.848 -1.349 386 HA ASN 52 HA ASN 52 4.614 -9.946 -0.258 387 1HB ASN 52 1HB ASN 52 5.540 -7.868 -1.218 388 2HB ASN 52 2HB ASN 52 5.550 -8.614 -2.824 389 1HD2 ASN 52 2HD2 ASN 52 2.288 -7.085 -3.107 390 2HD2 ASN 52 1HD2 ASN 52 3.958 -7.033 -3.660 391 H LYS 53 H LYS 53 6.159 -11.176 -3.231 392 HA LYS 53 HA LYS 53 4.030 -12.278 -4.636 393 1HB LYS 53 1HB LYS 53 6.506 -12.244 -5.151 394 2HB LYS 53 2HB LYS 53 6.602 -13.646 -4.056 395 1HG LYS 53 2HG LYS 53 5.208 -14.977 -5.569 396 2HG LYS 53 3HG LYS 53 5.176 -13.615 -6.723 397 1HD LYS 53 2HD LYS 53 7.662 -13.575 -6.760 398 2HD LYS 53 3HD LYS 53 7.706 -14.823 -5.508 399 1HE LYS 53 2HE LYS 53 6.793 -16.486 -7.017 400 2HE LYS 53 3HE LYS 53 6.726 -15.298 -8.338 401 1HZ LYS 53 2HZ LYS 53 9.208 -15.918 -6.853 402 2HZ LYS 53 3HZ LYS 53 8.793 -16.720 -8.243 403 3HZ LYS 53 1HZ LYS 53 9.091 -15.094 -8.232 404 H ASN 54 H ASN 54 5.801 -13.758 -1.870 405 HA ASN 54 HA ASN 54 4.366 -16.226 -1.785 406 1HB ASN 54 1HB ASN 54 6.070 -14.677 0.179 407 2HB ASN 54 2HB ASN 54 5.039 -15.965 0.789 408 1HD2 ASN 54 2HD2 ASN 54 8.290 -16.995 -1.479 409 2HD2 ASN 54 1HD2 ASN 54 7.711 -15.332 -1.493 410 H LYS 55 H LYS 55 3.526 -12.994 -0.591 411 HA LYS 55 HA LYS 55 1.363 -14.007 1.089 412 1HB LYS 55 1HB LYS 55 2.815 -11.797 1.340 413 2HB LYS 55 2HB LYS 55 1.674 -11.159 0.170 414 1HG LYS 55 2HG LYS 55 0.672 -10.547 2.109 415 2HG LYS 55 3HG LYS 55 -0.167 -12.073 1.861 416 1HD LYS 55 2HD LYS 55 2.368 -11.849 3.565 417 2HD LYS 55 3HD LYS 55 0.784 -11.407 4.194 418 1HE LYS 55 2HE LYS 55 -0.065 -13.713 3.673 419 2HE LYS 55 3HE LYS 55 1.592 -14.183 3.233 420 1HZ LYS 55 3HZ LYS 55 0.763 -13.182 5.866 421 2HZ LYS 55 1HZ LYS 55 1.078 -14.750 5.482 422 3HZ LYS 55 2HZ LYS 55 2.287 -13.637 5.443 423 H GLY 56 H GLY 56 -0.720 -14.262 0.433 424 1HA GLY 56 1HA GLY 56 -1.465 -13.829 -2.421 425 2HA GLY 56 2HA GLY 56 -1.202 -15.482 -1.848 426 H ILE 57 H ILE 57 -2.740 -12.488 -0.659 427 HA ILE 57 HA ILE 57 -5.308 -13.910 -0.195 428 HB ILE 57 HB ILE 57 -5.554 -12.765 1.994 429 1HG1 ILE 57 2HG1 ILE 57 -2.577 -12.359 2.207 430 2HG1 ILE 57 3HG1 ILE 57 -3.509 -11.154 1.308 431 1HG2 ILE 57 1HG2 ILE 57 -4.888 -15.133 1.917 432 2HG2 ILE 57 2HG2 ILE 57 -3.175 -14.668 1.915 433 3HG2 ILE 57 3HG2 ILE 57 -4.193 -14.301 3.319 434 1HD1 ILE 57 1HD1 ILE 57 -4.153 -11.951 4.147 435 2HD1 ILE 57 2HD1 ILE 57 -3.269 -10.499 3.607 436 3HD1 ILE 57 3HD1 ILE 57 -4.965 -10.714 3.145 437 H THR 58 H THR 58 -6.888 -11.933 0.571 438 HA THR 58 HA THR 58 -6.805 -10.041 -1.666 439 HB THR 58 HB THR 58 -8.921 -10.992 -1.011 440 HG1 THR 58 1HG THR 58 -8.690 -8.201 -0.547 441 1HG2 THR 58 1HG2 THR 58 -8.625 -11.278 1.443 442 2HG2 THR 58 2HG2 THR 58 -8.685 -9.515 1.647 443 3HG2 THR 58 3HG2 THR 58 -10.094 -10.387 1.027 444 H TRP 59 H TRP 59 -6.034 -7.946 -1.518 445 HA TRP 59 HA TRP 59 -5.246 -6.839 1.099 446 1HB TRP 59 1HB TRP 59 -5.418 -5.695 -1.702 447 2HB TRP 59 2HB TRP 59 -5.349 -4.662 -0.266 448 HD1 TRP 59 HD1 TRP 59 -3.055 -5.731 -2.712 449 HE1 TRP 59 HE1 TRP 59 -0.666 -5.976 -1.887 450 HE3 TRP 59 HE3 TRP 59 -3.947 -5.378 2.317 451 HZ2 TRP 59 HZ2 TRP 59 0.713 -5.949 0.689 452 HZ3 TRP 59 HZ3 TRP 59 -2.070 -5.425 3.926 453 HH2 TRP 59 HH2 TRP 59 0.255 -5.773 3.126 454 H LYS 60 H LYS 60 -6.493 -5.391 2.227 455 HA LYS 60 HA LYS 60 -9.091 -4.490 1.477 456 1HB LYS 60 1HB LYS 60 -8.787 -7.191 2.642 457 2HB LYS 60 2HB LYS 60 -9.575 -6.093 3.751 458 1HG LYS 60 2HG LYS 60 -11.161 -5.456 1.826 459 2HG LYS 60 3HG LYS 60 -10.505 -6.894 0.976 460 1HD LYS 60 2HD LYS 60 -10.934 -8.191 3.141 461 2HD LYS 60 3HD LYS 60 -11.668 -6.696 3.766 462 1HE LYS 60 2HE LYS 60 -13.507 -6.840 2.238 463 2HE LYS 60 3HE LYS 60 -12.847 -8.321 1.508 464 1HZ LYS 60 3HZ LYS 60 -13.202 -8.147 4.426 465 2HZ LYS 60 1HZ LYS 60 -14.501 -8.570 3.455 466 3HZ LYS 60 2HZ LYS 60 -13.112 -9.462 3.509 467 H GLU 61 H GLU 61 -10.000 -3.272 3.335 468 HA GLU 61 HA GLU 61 -8.055 -1.653 4.498 469 1HB GLU 61 1HB GLU 61 -9.937 -0.669 5.775 470 2HB GLU 61 2HB GLU 61 -10.188 -0.823 4.039 471 1HG GLU 61 3HG GLU 61 -11.466 -3.064 4.708 472 2HG GLU 61 2HG GLU 61 -11.542 -2.282 6.290 473 H GLU 62 H GLU 62 -9.882 -4.297 5.934 474 HA GLU 62 HA GLU 62 -8.889 -4.400 8.511 475 1HB GLU 62 1HB GLU 62 -9.154 -6.983 8.222 476 2HB GLU 62 2HB GLU 62 -10.548 -5.917 8.170 477 1HG GLU 62 2HG GLU 62 -10.638 -6.063 5.702 478 2HG GLU 62 3HG GLU 62 -9.224 -7.153 5.738 479 H THR 63 H THR 63 -7.254 -5.966 5.692 480 HA THR 63 HA THR 63 -4.904 -6.731 7.189 481 HB THR 63 HB THR 63 -5.057 -6.239 4.193 482 HG1 THR 63 1HG THR 63 -6.481 -8.243 5.582 483 1HG2 THR 63 2HG2 THR 63 -3.024 -7.337 5.178 484 2HG2 THR 63 3HG2 THR 63 -4.060 -8.667 5.744 485 3HG2 THR 63 1HG2 THR 63 -3.900 -8.342 4.003 486 H LEU 64 H LEU 64 -5.747 -3.866 5.168 487 HA LEU 64 HA LEU 64 -3.128 -2.836 5.054 488 1HB LEU 64 1HB LEU 64 -5.875 -1.795 4.600 489 2HB LEU 64 2HB LEU 64 -4.535 -0.635 4.683 490 HG LEU 64 HG LEU 64 -4.126 -3.069 2.973 491 1HD1 LEU 64 3HD1 LEU 64 -6.447 -2.381 2.380 492 2HD1 LEU 64 1HD1 LEU 64 -5.845 -0.760 1.994 493 3HD1 LEU 64 2HD1 LEU 64 -5.285 -2.184 1.076 494 1HD2 LEU 64 3HD2 LEU 64 -2.388 -1.286 3.248 495 2HD2 LEU 64 1HD2 LEU 64 -2.943 -1.434 1.567 496 3HD2 LEU 64 2HD2 LEU 64 -3.526 -0.099 2.576 497 H MET 65 H MET 65 -5.751 -2.346 7.620 498 HA MET 65 HA MET 65 -4.368 -0.320 8.867 499 1HB MET 65 1HB MET 65 -5.643 -0.668 10.716 500 2HB MET 65 2HB MET 65 -6.680 -0.987 9.327 501 1HG MET 65 2HG MET 65 -7.148 -3.074 9.960 502 2HG MET 65 3HG MET 65 -5.562 -3.406 10.658 503 1HE MET 65 3HE MET 65 -6.748 -4.792 12.522 504 2HE MET 65 1HE MET 65 -7.997 -4.138 13.605 505 3HE MET 65 2HE MET 65 -8.355 -4.379 11.875 506 H GLU 66 H GLU 66 -3.948 -3.771 9.430 507 HA GLU 66 HA GLU 66 -1.858 -3.760 11.335 508 1HB GLU 66 1HB GLU 66 -2.813 -5.541 9.052 509 2HB GLU 66 2HB GLU 66 -1.448 -6.036 9.991 510 1HG GLU 66 2HG GLU 66 -3.871 -5.096 11.520 511 2HG GLU 66 3HG GLU 66 -4.032 -6.609 10.623 512 H TYR 67 H TYR 67 -1.756 -3.830 7.768 513 HA TYR 67 HA TYR 67 1.047 -3.830 7.558 514 1HB TYR 67 1HB TYR 67 -0.619 -4.562 5.860 515 2HB TYR 67 2HB TYR 67 -1.012 -2.867 5.565 516 HD1 TYR 67 HD1 TYR 67 1.944 -5.200 5.618 517 HD2 TYR 67 HD2 TYR 67 0.053 -1.775 3.797 518 HE1 TYR 67 HE1 TYR 67 3.714 -5.139 3.876 519 HE2 TYR 67 HE2 TYR 67 1.797 -1.749 2.049 520 HH TYR 67 HH TYR 67 3.916 -2.445 1.619 521 H LEU 68 H LEU 68 -1.152 -1.007 7.824 522 HA LEU 68 HA LEU 68 0.910 0.909 7.071 523 1HB LEU 68 1HB LEU 68 -1.912 1.213 8.169 524 2HB LEU 68 2HB LEU 68 -0.881 2.522 7.587 525 HG LEU 68 HG LEU 68 -1.922 0.223 5.855 526 1HD1 LEU 68 3HD1 LEU 68 -3.683 1.774 6.619 527 2HD1 LEU 68 1HD1 LEU 68 -2.725 3.147 6.036 528 3HD1 LEU 68 2HD1 LEU 68 -3.372 1.950 4.882 529 1HD2 LEU 68 2HD2 LEU 68 -0.383 2.676 5.076 530 2HD2 LEU 68 3HD2 LEU 68 0.223 0.977 4.976 531 3HD2 LEU 68 1HD2 LEU 68 -1.159 1.480 3.987 532 H GLU 69 H GLU 69 -0.848 -0.137 10.064 533 HA GLU 69 HA GLU 69 0.459 1.591 11.845 534 1HB GLU 69 1HB GLU 69 -1.350 0.181 12.603 535 2HB GLU 69 2HB GLU 69 -0.433 -1.302 12.277 536 1HG GLU 69 2HG GLU 69 1.193 -0.754 14.015 537 2HG GLU 69 3HG GLU 69 0.491 0.859 14.226 538 H ASN 70 H ASN 70 1.503 -1.673 10.653 539 HA ASN 70 HA ASN 70 4.266 -0.719 10.720 540 1HB ASN 70 1HB ASN 70 3.741 -1.321 13.113 541 2HB ASN 70 2HB ASN 70 3.534 -2.992 12.602 542 1HD2 ASN 70 2HD2 ASN 70 7.052 -2.388 13.808 543 2HD2 ASN 70 1HD2 ASN 70 5.447 -2.209 14.490 544 HA PRO 71 HA PRO 71 3.416 -3.912 7.515 545 1HB PRO 71 1HB PRO 71 5.349 -3.207 5.694 546 2HB PRO 71 2HB PRO 71 3.768 -2.394 5.817 547 1HG PRO 71 2HG PRO 71 6.405 -1.517 6.938 548 2HG PRO 71 3HG PRO 71 5.104 -0.522 6.137 549 1HD PRO 71 2HD PRO 71 5.479 -0.656 8.859 550 2HD PRO 71 3HD PRO 71 3.892 -0.346 8.114 551 H LYS 72 H LYS 72 6.418 -3.149 9.190 552 HA LYS 72 HA LYS 72 7.847 -5.423 8.408 553 1HB LYS 72 1HB LYS 72 7.848 -4.031 11.103 554 2HB LYS 72 2HB LYS 72 9.069 -5.170 10.568 555 1HG LYS 72 2HG LYS 72 10.017 -3.729 9.023 556 2HG LYS 72 3HG LYS 72 8.579 -2.708 8.866 557 1HD LYS 72 2HD LYS 72 8.837 -1.742 11.004 558 2HD LYS 72 3HD LYS 72 10.041 -2.949 11.512 559 1HE LYS 72 2HE LYS 72 11.694 -2.072 9.932 560 2HE LYS 72 3HE LYS 72 10.519 -0.955 9.234 561 1HZ LYS 72 1HZ LYS 72 10.839 -0.126 12.037 562 2HZ LYS 72 3HZ LYS 72 11.451 -1.208 11.734 563 3HZ LYS 72 2HZ LYS 72 10.346 0.003 10.887 564 H LYS 73 H LYS 73 5.116 -4.999 10.599 565 HA LYS 73 HA LYS 73 5.483 -7.450 12.094 566 1HB LYS 73 1HB LYS 73 4.309 -5.300 12.807 567 2HB LYS 73 2HB LYS 73 3.008 -5.757 11.704 568 1HG LYS 73 2HG LYS 73 3.190 -8.034 13.263 569 2HG LYS 73 3HG LYS 73 3.725 -6.797 14.406 570 1HD LYS 73 2HD LYS 73 1.680 -5.450 13.870 571 2HD LYS 73 3HD LYS 73 1.186 -6.686 12.700 572 1HE LYS 73 2HE LYS 73 1.032 -8.369 14.517 573 2HE LYS 73 3HE LYS 73 1.447 -7.119 15.709 574 1HZ LYS 73 2HZ LYS 73 -0.877 -7.007 13.879 575 2HZ LYS 73 1HZ LYS 73 -0.979 -7.475 15.451 576 3HZ LYS 73 3HZ LYS 73 -0.553 -5.932 15.032 577 H TYR 74 H TYR 74 4.553 -6.906 8.824 578 HA TYR 74 HA TYR 74 2.974 -9.443 8.812 579 1HB TYR 74 1HB TYR 74 1.569 -7.316 8.745 580 2HB TYR 74 2HB TYR 74 2.272 -7.004 7.161 581 HD1 TYR 74 HD1 TYR 74 0.703 -9.863 9.078 582 HD2 TYR 74 HD2 TYR 74 0.799 -7.638 5.382 583 HE1 TYR 74 HE1 TYR 74 -0.943 -11.418 8.103 584 HE2 TYR 74 HE2 TYR 74 -0.850 -9.206 4.405 585 HH TYR 74 HH TYR 74 -2.319 -11.849 6.234 586 H ILE 75 H ILE 75 4.841 -7.158 6.742 587 HA ILE 75 HA ILE 75 5.987 -9.522 5.378 588 HB ILE 75 HB ILE 75 5.048 -7.210 3.676 589 1HG1 ILE 75 2HG1 ILE 75 3.440 -9.731 4.217 590 2HG1 ILE 75 3HG1 ILE 75 3.004 -8.073 4.677 591 1HG2 ILE 75 1HG2 ILE 75 6.853 -8.902 2.969 592 2HG2 ILE 75 2HG2 ILE 75 5.585 -10.134 2.997 593 3HG2 ILE 75 3HG2 ILE 75 5.473 -8.757 1.880 594 1HD1 ILE 75 2HD1 ILE 75 3.048 -7.418 2.259 595 2HD1 ILE 75 3HD1 ILE 75 3.207 -9.144 1.852 596 3HD1 ILE 75 1HD1 ILE 75 1.776 -8.561 2.718 597 HA PRO 76 HA PRO 76 8.898 -6.169 6.559 598 1HB PRO 76 1HB PRO 76 10.704 -7.523 8.056 599 2HB PRO 76 2HB PRO 76 9.075 -7.063 8.632 600 1HG PRO 76 2HG PRO 76 9.949 -9.754 7.523 601 2HG PRO 76 3HG PRO 76 9.047 -9.440 9.033 602 1HD PRO 76 2HD PRO 76 7.805 -10.112 6.674 603 2HD PRO 76 3HD PRO 76 7.053 -9.018 7.869 604 H GLY 77 H GLY 77 9.840 -9.371 5.216 605 1HA GLY 77 1HA GLY 77 12.402 -8.397 4.222 606 2HA GLY 77 2HA GLY 77 11.621 -9.942 3.862 607 H THR 78 H THR 78 10.469 -6.591 3.338 608 HA THR 78 HA THR 78 10.014 -7.146 0.455 609 HB THR 78 HB THR 78 8.093 -7.034 2.559 610 HG1 THR 78 1HG THR 78 7.766 -7.043 -0.248 611 1HG2 THR 78 3HG2 THR 78 8.079 -4.628 2.580 612 2HG2 THR 78 1HG2 THR 78 7.742 -4.588 0.834 613 3HG2 THR 78 2HG2 THR 78 6.562 -5.283 1.951 614 H LYS 79 H LYS 79 10.237 -5.292 -0.824 615 HA LYS 79 HA LYS 79 12.433 -3.763 0.037 616 1HB LYS 79 1HB LYS 79 11.682 -4.562 -2.287 617 2HB LYS 79 2HB LYS 79 10.644 -3.143 -2.310 618 1HG LYS 79 2HG LYS 79 12.787 -1.759 -1.964 619 2HG LYS 79 3HG LYS 79 13.672 -3.281 -2.204 620 1HD LYS 79 2HD LYS 79 12.260 -3.548 -4.373 621 2HD LYS 79 3HD LYS 79 11.796 -1.851 -4.141 622 1HE LYS 79 3HE LYS 79 14.244 -1.230 -4.191 623 2HE LYS 79 2HE LYS 79 14.639 -2.937 -4.469 624 1HZ LYS 79 1HZ LYS 79 13.352 -2.821 -6.514 625 2HZ LYS 79 2HZ LYS 79 13.078 -1.215 -6.279 626 3HZ LYS 79 3HZ LYS 79 14.608 -1.761 -6.521 627 H MET 80 H MET 80 9.104 -3.132 0.543 628 HA MET 80 HA MET 80 9.029 -0.282 0.519 629 1HB MET 80 1HB MET 80 7.094 -1.745 0.259 630 2HB MET 80 2HB MET 80 7.306 -2.402 1.872 631 1HG MET 80 2HG MET 80 6.565 -0.542 2.935 632 2HG MET 80 3HG MET 80 6.974 0.575 1.624 633 1HE MET 80 2HE MET 80 4.262 -0.270 3.651 634 2HE MET 80 3HE MET 80 4.309 1.333 2.879 635 3HE MET 80 1HE MET 80 2.926 0.258 2.608 636 H ILE 81 H ILE 81 11.123 0.133 1.729 637 HA ILE 81 HA ILE 81 11.155 -0.193 4.583 638 HB ILE 81 HB ILE 81 12.948 1.419 4.518 639 1HG1 ILE 81 2HG1 ILE 81 11.898 2.597 2.304 640 2HG1 ILE 81 3HG1 ILE 81 13.538 2.810 2.905 641 1HG2 ILE 81 1HG2 ILE 81 13.385 -0.936 4.215 642 2HG2 ILE 81 2HG2 ILE 81 13.249 -0.778 2.457 643 3HG2 ILE 81 3HG2 ILE 81 14.561 0.046 3.335 644 1HD1 ILE 81 3HD1 ILE 81 12.740 0.886 0.694 645 2HD1 ILE 81 1HD1 ILE 81 13.494 2.470 0.497 646 3HD1 ILE 81 2HD1 ILE 81 14.393 1.172 1.290 647 H PHE 82 H PHE 82 8.670 0.548 4.413 648 HA PHE 82 HA PHE 82 8.365 3.476 4.661 649 1HB PHE 82 1HB PHE 82 6.700 2.198 3.421 650 2HB PHE 82 2HB PHE 82 6.377 1.195 4.839 651 HD1 PHE 82 HD2 PHE 82 6.500 4.840 3.843 652 HD2 PHE 82 HD1 PHE 82 4.504 1.793 6.168 653 HE1 PHE 82 HE2 PHE 82 4.757 6.470 4.492 654 HE2 PHE 82 HE1 PHE 82 2.765 3.419 6.804 655 HZ PHE 82 HZ PHE 82 2.843 5.732 5.905 656 H ALA 83 H ALA 83 8.197 4.534 6.584 657 HA ALA 83 HA ALA 83 9.217 3.122 8.886 658 1HB ALA 83 1HB ALA 83 8.421 6.039 8.531 659 2HB ALA 83 2HB ALA 83 9.293 5.353 9.919 660 3HB ALA 83 1HB ALA 83 10.036 5.333 8.309 661 H GLY 84 H GLY 84 6.282 5.284 8.647 662 1HA GLY 84 1HA GLY 84 4.487 3.567 9.951 663 2HA GLY 84 2HA GLY 84 5.346 4.495 11.202 664 H ILE 85 H ILE 85 2.706 4.836 11.004 665 HA ILE 85 HA ILE 85 2.248 7.524 9.849 666 HB ILE 85 HB ILE 85 1.431 4.878 8.930 667 1HG1 ILE 85 2HG1 ILE 85 0.796 7.657 7.877 668 2HG1 ILE 85 3HG1 ILE 85 2.212 6.709 7.565 669 1HG2 ILE 85 1HG2 ILE 85 -0.469 5.215 10.455 670 2HG2 ILE 85 2HG2 ILE 85 -0.903 6.626 9.416 671 3HG2 ILE 85 3HG2 ILE 85 -0.862 4.965 8.759 672 1HD1 ILE 85 2HD1 ILE 85 0.661 4.966 6.501 673 2HD1 ILE 85 3HD1 ILE 85 -0.714 6.037 6.863 674 3HD1 ILE 85 1HD1 ILE 85 0.528 6.589 5.763 675 H LYS 86 H LYS 86 -0.280 8.037 10.681 676 HA LYS 86 HA LYS 86 0.096 9.013 13.169 677 1HB LYS 86 1HB LYS 86 -2.704 8.238 12.171 678 2HB LYS 86 2HB LYS 86 -2.303 9.314 13.464 679 1HG LYS 86 2HG LYS 86 -0.955 10.731 11.905 680 2HG LYS 86 3HG LYS 86 -1.537 9.770 10.542 681 1HD LYS 86 2HD LYS 86 -3.395 11.216 12.491 682 2HD LYS 86 3HD LYS 86 -2.692 11.994 11.070 683 1HE LYS 86 2HE LYS 86 -3.740 10.222 9.605 684 2HE LYS 86 3HE LYS 86 -4.564 9.578 11.027 685 1HZ LYS 86 1HZ LYS 86 -4.890 12.298 9.921 686 2HZ LYS 86 2HZ LYS 86 -5.960 11.079 9.794 687 3HZ LYS 86 3HZ LYS 86 -5.672 11.720 11.253 688 H LYS 87 H LYS 87 -2.266 6.357 12.966 689 HA LYS 87 HA LYS 87 -0.957 4.461 14.322 690 1HB LYS 87 1HB LYS 87 -1.641 6.420 16.334 691 2HB LYS 87 2HB LYS 87 -2.784 5.122 16.527 692 1HG LYS 87 2HG LYS 87 -0.880 3.458 16.422 693 2HG LYS 87 3HG LYS 87 0.241 4.837 16.469 694 1HD LYS 87 2HD LYS 87 -0.697 5.523 18.658 695 2HD LYS 87 3HD LYS 87 -1.891 4.203 18.566 696 1HE LYS 87 2HE LYS 87 0.003 2.540 18.448 697 2HE LYS 87 3HE LYS 87 1.151 3.871 18.671 698 1HZ LYS 87 1HZ LYS 87 0.125 4.288 20.815 699 2HZ LYS 87 3HZ LYS 87 -0.925 3.035 20.589 700 3HZ LYS 87 2HZ LYS 87 0.686 2.745 20.716 701 H LYS 88 H LYS 88 -4.115 5.953 14.759 702 HA LYS 88 HA LYS 88 -5.473 3.326 14.263 703 1HB LYS 88 1HB LYS 88 -5.081 3.909 16.621 704 2HB LYS 88 2HB LYS 88 -5.970 5.427 16.411 705 1HG LYS 88 2HG LYS 88 -8.027 4.201 15.943 706 2HG LYS 88 3HG LYS 88 -7.150 2.652 15.948 707 1HD LYS 88 2HD LYS 88 -6.520 2.928 18.285 708 2HD LYS 88 3HD LYS 88 -7.260 4.526 18.369 709 1HE LYS 88 2HE LYS 88 -8.759 1.908 17.822 710 2HE LYS 88 3HE LYS 88 -8.614 2.673 19.409 711 1HZ LYS 88 1HZ LYS 88 -9.764 4.592 18.543 712 2HZ LYS 88 3HZ LYS 88 -9.931 3.883 17.067 713 3HZ LYS 88 2HZ LYS 88 -10.679 3.238 18.380 714 H THR 89 H THR 89 -5.707 6.891 14.015 715 HA THR 89 HA THR 89 -8.285 6.820 12.676 716 HB THR 89 HB THR 89 -6.216 9.039 12.615 717 HG1 THR 89 1HG THR 89 -7.977 8.461 14.745 718 1HG2 THR 89 2HG2 THR 89 -8.311 9.377 11.325 719 2HG2 THR 89 3HG2 THR 89 -9.266 9.068 12.787 720 3HG2 THR 89 1HG2 THR 89 -8.208 10.491 12.701 721 H GLU 90 H GLU 90 -4.796 6.701 11.871 722 HA GLU 90 HA GLU 90 -4.743 7.487 9.239 723 1HB GLU 90 1HB GLU 90 -2.902 5.963 9.058 724 2HB GLU 90 2HB GLU 90 -2.791 6.978 10.487 725 1HG GLU 90 2HG GLU 90 -2.263 5.049 11.585 726 2HG GLU 90 3HG GLU 90 -3.958 4.669 11.578 727 H ARG 91 H ARG 91 -5.350 4.201 10.423 728 HA ARG 91 HA ARG 91 -5.625 2.983 7.927 729 1HB ARG 91 1HB ARG 91 -6.629 1.158 9.245 730 2HB ARG 91 2HB ARG 91 -5.087 1.716 9.921 731 1HG ARG 91 2HG ARG 91 -6.058 2.686 11.795 732 2HG ARG 91 3HG ARG 91 -7.560 3.066 10.949 733 1HD ARG 91 2HD ARG 91 -7.802 0.406 10.935 734 2HD ARG 91 3HD ARG 91 -6.810 0.583 12.408 735 HE ARG 91 HE ARG 91 -8.750 2.513 12.669 736 1HH1 ARG 91 2HH2 ARG 91 -8.798 -1.006 12.271 737 2HH1 ARG 91 1HH2 ARG 91 -10.500 -1.182 12.560 738 1HH2 ARG 91 2HH1 ARG 91 -11.089 2.332 12.827 739 2HH2 ARG 91 1HH1 ARG 91 -11.814 0.769 12.993 740 H GLU 92 H GLU 92 -7.675 5.245 9.232 741 HA GLU 92 HA GLU 92 -10.067 4.245 7.803 742 1HB GLU 92 1HB GLU 92 -9.745 5.116 10.417 743 2HB GLU 92 2HB GLU 92 -10.094 6.637 9.616 744 1HG GLU 92 2HG GLU 92 -12.233 5.569 8.758 745 2HG GLU 92 3HG GLU 92 -11.771 4.075 9.592 746 H ASP 93 H ASP 93 -7.736 6.972 8.288 747 HA ASP 93 HA ASP 93 -9.128 8.752 6.462 748 1HB ASP 93 1HB ASP 93 -6.454 8.843 7.900 749 2HB ASP 93 2HB ASP 93 -6.979 10.087 6.759 750 H LEU 94 H LEU 94 -5.983 6.932 6.256 751 HA LEU 94 HA LEU 94 -5.439 7.784 3.613 752 1HB LEU 94 1HB LEU 94 -3.948 6.822 5.431 753 2HB LEU 94 2HB LEU 94 -4.624 5.238 5.116 754 HG LEU 94 HG LEU 94 -3.759 6.605 2.621 755 1HD1 LEU 94 1HD1 LEU 94 -2.156 7.579 4.325 756 2HD1 LEU 94 2HD1 LEU 94 -1.589 5.930 4.617 757 3HD1 LEU 94 3HD1 LEU 94 -1.420 6.675 3.000 758 1HD2 LEU 94 1HD2 LEU 94 -4.245 4.116 2.929 759 2HD2 LEU 94 3HD2 LEU 94 -2.683 4.500 2.174 760 3HD2 LEU 94 2HD2 LEU 94 -2.748 4.018 3.873 761 H ILE 95 H ILE 95 -6.983 4.967 5.047 762 HA ILE 95 HA ILE 95 -7.626 3.534 2.647 763 HB ILE 95 HB ILE 95 -8.109 3.400 5.555 764 1HG1 ILE 95 2HG1 ILE 95 -8.032 1.118 3.635 765 2HG1 ILE 95 3HG1 ILE 95 -6.568 2.089 3.926 766 1HG2 ILE 95 2HG2 ILE 95 -10.493 3.410 4.946 767 2HG2 ILE 95 3HG2 ILE 95 -10.167 2.107 3.771 768 3HG2 ILE 95 1HG2 ILE 95 -9.979 1.822 5.507 769 1HD1 ILE 95 2HD1 ILE 95 -8.095 0.666 6.137 770 2HD1 ILE 95 3HD1 ILE 95 -6.623 0.087 5.364 771 3HD1 ILE 95 1HD1 ILE 95 -6.573 1.585 6.276 772 H ALA 96 H ALA 96 -9.235 6.151 4.424 773 HA ALA 96 HA ALA 96 -11.721 5.768 3.160 774 1HB ALA 96 2HB ALA 96 -10.512 8.296 4.341 775 2HB ALA 96 1HB ALA 96 -12.154 8.225 3.681 776 3HB ALA 96 1HB ALA 96 -11.730 7.237 5.074 777 H TYR 97 H TYR 97 -8.874 7.685 2.286 778 HA TYR 97 HA TYR 97 -9.951 8.679 -0.200 779 1HB TYR 97 1HB TYR 97 -8.275 9.930 0.682 780 2HB TYR 97 2HB TYR 97 -7.232 8.558 1.054 781 HD1 TYR 97 HD2 TYR 97 -8.735 10.342 -1.906 782 HD2 TYR 97 HD1 TYR 97 -5.635 7.795 -0.483 783 HE1 TYR 97 HE2 TYR 97 -7.410 10.793 -3.980 784 HE2 TYR 97 HE1 TYR 97 -4.238 8.356 -2.433 785 HH TYR 97 HH TYR 97 -5.265 10.735 -4.897 786 H LEU 98 H LEU 98 -7.532 5.971 0.371 787 HA LEU 98 HA LEU 98 -7.479 5.299 -2.350 788 1HB LEU 98 1HB LEU 98 -6.785 3.894 0.221 789 2HB LEU 98 2HB LEU 98 -6.610 3.068 -1.327 790 HG LEU 98 HG LEU 98 -5.559 5.834 -1.289 791 1HD1 LEU 98 1HD1 LEU 98 -4.164 3.667 0.316 792 2HD1 LEU 98 2HD1 LEU 98 -3.453 5.237 -0.142 793 3HD1 LEU 98 3HD1 LEU 98 -4.858 5.192 0.927 794 1HD2 LEU 98 3HD2 LEU 98 -4.362 3.225 -2.248 795 2HD2 LEU 98 1HD2 LEU 98 -5.226 4.439 -3.227 796 3HD2 LEU 98 2HD2 LEU 98 -3.653 4.838 -2.482 797 H LYS 99 H LYS 99 -9.803 4.208 0.129 798 HA LYS 99 HA LYS 99 -11.053 2.211 -1.509 799 1HB LYS 99 1HB LYS 99 -12.093 3.875 0.815 800 2HB LYS 99 2HB LYS 99 -13.094 2.724 -0.074 801 1HG LYS 99 2HG LYS 99 -11.573 0.872 0.431 802 2HG LYS 99 3HG LYS 99 -10.499 1.975 1.293 803 1HD LYS 99 2HD LYS 99 -11.849 0.733 2.859 804 2HD LYS 99 3HD LYS 99 -12.254 2.459 2.952 805 1HE LYS 99 2HE LYS 99 -14.348 2.144 1.863 806 2HE LYS 99 3HE LYS 99 -13.909 0.521 1.287 807 1HZ LYS 99 1HZ LYS 99 -13.947 0.916 4.179 808 2HZ LYS 99 3HZ LYS 99 -15.400 0.696 3.361 809 3HZ LYS 99 2HZ LYS 99 -14.152 -0.378 3.324 810 H LYS 100 H LYS 100 -11.005 5.698 -1.658 811 HA LYS 100 HA LYS 100 -13.368 5.788 -3.413 812 1HB LYS 100 1HB LYS 100 -12.548 7.725 -1.808 813 2HB LYS 100 2HB LYS 100 -11.334 8.023 -3.052 814 1HG LYS 100 2HG LYS 100 -13.120 9.438 -3.709 815 2HG LYS 100 3HG LYS 100 -13.310 8.022 -4.741 816 1HD LYS 100 2HD LYS 100 -14.944 7.125 -2.947 817 2HD LYS 100 3HD LYS 100 -14.886 8.720 -2.208 818 1HE LYS 100 2HE LYS 100 -16.140 9.687 -3.932 819 2HE LYS 100 3HE LYS 100 -15.431 8.643 -5.170 820 1HZ LYS 100 1HZ LYS 100 -16.702 6.817 -4.334 821 2HZ LYS 100 2HZ LYS 100 -17.514 7.787 -3.293 822 3HZ LYS 100 3HZ LYS 100 -17.644 8.011 -4.931 823 H ALA 101 H ALA 101 -9.805 6.209 -3.617 824 HA ALA 101 HA ALA 101 -9.709 6.721 -6.342 825 1HB ALA 101 2HB ALA 101 -7.800 7.000 -4.802 826 2HB ALA 101 1HB ALA 101 -7.592 5.232 -4.743 827 3HB ALA 101 1HB ALA 101 -7.383 6.104 -6.278 828 H THR 102 H THR 102 -9.355 3.414 -4.834 829 HA THR 102 HA THR 102 -8.981 2.370 -7.519 830 HB THR 102 HB THR 102 -8.136 0.570 -6.666 831 HG1 THR 102 1HG THR 102 -10.122 -0.135 -5.602 832 1HG2 THR 102 3HG2 THR 102 -7.136 2.584 -5.316 833 2HG2 THR 102 1HG2 THR 102 -7.962 1.768 -3.941 834 3HG2 THR 102 2HG2 THR 102 -6.733 0.921 -4.884 835 H ASN 103 H ASN 103 -11.662 3.532 -7.249 836 HA ASN 103 HA ASN 103 -13.484 1.197 -7.420 837 1HB ASN 103 1HB ASN 103 -12.799 1.124 -5.069 838 2HB ASN 103 2HB ASN 103 -13.052 2.868 -4.949 839 1HD2 ASN 103 2HD2 ASN 103 -16.249 2.351 -3.661 840 2HD2 ASN 103 1HD2 ASN 103 -14.639 3.045 -3.460 841 H GLU 104 H GLU 104 -13.379 4.619 -6.447 842 HA GLU 104 HA GLU 104 -14.693 6.334 -6.576 843 1HB GLU 104 1HB GLU 104 -15.958 4.930 -8.912 844 2HB GLU 104 2HB GLU 104 -16.869 6.197 -8.106 845 1HG GLU 104 2HG GLU 104 -14.006 6.656 -9.002 846 2HG GLU 104 3HG GLU 104 -15.414 6.960 -10.033 847 HHA HEC 1 MHG HEM 18 3.911 -3.581 -1.964 848 HHB HEC 1 MHD HEM 18 -0.275 0.710 0.271 849 HHC HEC 1 MHA HEM 18 4.761 4.499 1.636 850 HHD HEC 1 MHB HEM 18 8.448 0.861 -2.121 851 1HMA HEC 1 1HM8 HEM 18 -1.416 -1.115 -0.604 852 2HMA HEC 1 2HM8 HEM 18 -1.160 -2.808 -1.041 853 3HMA HEC 1 3HM8 HEM 18 -0.935 -2.297 0.642 854 1HAA HEC 1 1HP7 HEM 18 2.182 -4.635 -1.573 855 2HAA HEC 1 2HP7 HEM 18 0.576 -4.450 -1.077 856 1HBA HEC 1 3HP7 HEM 18 -0.155 -3.628 -3.230 857 2HBA HEC 1 4HP7 HEM 18 1.521 -3.317 -3.722 858 1HMB HEC 1 1HM1 HEM 18 -0.555 4.409 1.016 859 2HMB HEC 1 2HM1 HEM 18 -1.024 2.814 0.469 860 3HMB HEC 1 3HM1 HEM 18 -0.754 3.084 2.205 861 HAB HEC 1 AHT2 HEM 18 3.038 5.132 2.781 862 1HBB HEC 1 1HT2 HEM 18 1.222 4.319 4.092 863 2HBB HEC 1 2HT2 HEM 18 1.184 6.085 3.849 864 3HBB HEC 1 3HT2 HEM 18 0.048 5.058 2.998 865 1HMC HEC 1 1HM3 HEM 18 7.052 5.987 -0.173 866 2HMC HEC 1 2HM3 HEM 18 6.683 5.517 1.493 867 3HMC HEC 1 3HM3 HEM 18 8.313 5.318 0.883 868 HAC HEC 1 AHT4 HEM 18 9.227 2.812 -2.233 869 1HBC HEC 1 1HT4 HEM 18 10.137 3.093 0.188 870 2HBC HEC 1 2HT4 HEM 18 11.058 3.707 -1.203 871 3HBC HEC 1 3HT4 HEM 18 10.126 4.829 -0.215 872 1HMD HEC 1 1HM5 HEM 18 8.609 -1.241 -4.214 873 2HMD HEC 1 2HM5 HEM 18 9.370 -1.225 -2.614 874 3HMD HEC 1 3HM5 HEM 18 8.816 -2.754 -3.353 875 1HAD HEC 1 1HP6 HEM 18 5.493 -4.471 -2.996 876 2HAD HEC 1 2HP6 HEM 18 6.896 -3.992 -3.852 877 1HBD HEC 1 3HP6 HEM 18 7.991 -4.003 -1.390 878 2HBD HEC 1 4HP6 HEM 18 6.607 -5.069 -1.063 No H/Q in entry = 878
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