NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5903 | 1i5t | 5026 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H GLY 1 H1 GLY 1 15.117 3.161 6.807 2 2H GLY 1 H2 GLY 1 13.495 3.153 6.607 3 3H GLY 1 H3 GLY 1 14.325 1.699 6.635 4 1HA GLY 1 HA2 GLY 1 15.511 2.408 4.642 5 2HA GLY 1 HA1 GLY 1 13.753 2.288 4.409 6 H ASP 2 HN ASP 2 15.241 3.936 2.758 7 HA ASP 2 HA ASP 2 15.242 6.699 3.799 8 1HB ASP 2 HB2 ASP 2 16.987 5.541 2.102 9 2HB ASP 2 HB3 ASP 2 15.821 6.029 0.934 10 H VAL 3 HN VAL 3 13.447 7.981 3.621 11 HA VAL 3 HA VAL 3 11.223 7.365 1.994 12 HB VAL 3 HB VAL 3 10.619 8.685 3.715 13 1HG1 VAL 3 HG11 VAL 3 13.034 10.404 3.351 14 2HG1 VAL 3 HG12 VAL 3 11.648 10.773 4.421 15 3HG1 VAL 3 HG13 VAL 3 12.593 9.313 4.707 16 1HG2 VAL 3 HG21 VAL 3 9.823 9.779 1.498 17 2HG2 VAL 3 HG22 VAL 3 9.819 10.824 2.922 18 3HG2 VAL 3 HG23 VAL 3 11.124 10.952 1.729 19 H GLU 4 HN GLU 4 14.288 9.074 1.117 20 HA GLU 4 HA GLU 4 13.008 10.218 -1.239 21 1HB GLU 4 HB2 GLU 4 15.946 9.810 -0.496 22 2HB GLU 4 HB3 GLU 4 15.403 10.457 -2.051 23 1HG GLU 4 HG2 GLU 4 14.082 12.221 -0.737 24 2HG GLU 4 HG3 GLU 4 14.980 11.681 0.695 25 H LYS 5 HN LYS 5 14.997 7.332 -0.682 26 HA LYS 5 HA LYS 5 14.711 6.260 -3.328 27 1HB LYS 5 HB2 LYS 5 15.049 4.947 -0.573 28 2HB LYS 5 HB3 LYS 5 14.870 3.992 -2.035 29 1HG LYS 5 HG2 LYS 5 16.982 6.165 -1.903 30 2HG LYS 5 HG3 LYS 5 17.239 4.604 -1.107 31 1HD LYS 5 HD2 LYS 5 16.854 3.377 -3.158 32 2HD LYS 5 HD3 LYS 5 16.464 4.865 -4.048 33 1HE LYS 5 HE2 LYS 5 18.747 5.707 -3.750 34 2HE LYS 5 HE3 LYS 5 19.158 4.346 -2.692 35 1HZ LYS 5 HZ1 LYS 5 18.449 4.099 -5.540 36 2HZ LYS 5 HZ2 LYS 5 19.971 4.028 -4.919 37 3HZ LYS 5 HZ3 LYS 5 18.874 2.867 -4.534 38 H GLY 6 HN GLY 6 12.676 6.190 -0.468 39 1HA GLY 6 HA1 GLY 6 10.764 4.352 -1.400 40 2HA GLY 6 HA2 GLY 6 10.488 5.608 -0.164 41 H LYS 7 HN LYS 7 10.885 7.940 -1.721 42 HA LYS 7 HA LYS 7 8.327 8.227 -2.870 43 1HB LYS 7 HB2 LYS 7 9.902 9.855 -1.735 44 2HB LYS 7 HB3 LYS 7 10.781 9.993 -3.262 45 1HG LYS 7 HG2 LYS 7 8.790 10.933 -4.342 46 2HG LYS 7 HG3 LYS 7 7.787 10.530 -2.925 47 1HD LYS 7 HD2 LYS 7 9.250 11.917 -1.486 48 2HD LYS 7 HD3 LYS 7 10.196 12.386 -2.908 49 1HE LYS 7 HE2 LYS 7 8.103 13.392 -3.923 50 2HE LYS 7 HE3 LYS 7 7.202 12.941 -2.466 51 1HZ LYS 7 HZ1 LYS 7 9.459 14.834 -2.565 52 2HZ LYS 7 HZ2 LYS 7 7.870 15.224 -2.406 53 3HZ LYS 7 HZ3 LYS 7 8.635 14.406 -1.205 54 H LYS 8 HN LYS 8 11.592 7.804 -4.294 55 HA LYS 8 HA LYS 8 10.741 7.988 -7.044 56 1HB LYS 8 HB2 LYS 8 13.160 6.787 -5.657 57 2HB LYS 8 HB3 LYS 8 12.849 6.471 -7.372 58 1HG LYS 8 HG2 LYS 8 12.707 8.886 -7.833 59 2HG LYS 8 HG3 LYS 8 13.079 9.246 -6.133 60 1HD LYS 8 HD2 LYS 8 15.282 8.271 -6.339 61 2HD LYS 8 HD3 LYS 8 14.899 7.582 -7.935 62 1HE LYS 8 HE2 LYS 8 14.661 9.844 -8.903 63 2HE LYS 8 HE3 LYS 8 14.987 10.581 -7.325 64 1HZ LYS 8 HZ1 LYS 8 17.190 9.654 -7.408 65 2HZ LYS 8 HZ2 LYS 8 16.887 8.924 -8.856 66 3HZ LYS 8 HZ3 LYS 8 16.911 10.562 -8.746 67 H ILE 9 HN ILE 9 11.117 5.178 -4.831 68 HA ILE 9 HA ILE 9 10.285 3.228 -6.720 69 HB ILE 9 HB ILE 9 10.065 3.271 -3.709 70 1HG1 ILE 9 HG12 ILE 9 12.077 1.741 -5.410 71 2HG1 ILE 9 HG13 ILE 9 12.402 3.394 -4.930 72 1HG2 ILE 9 HG21 ILE 9 8.886 1.365 -5.542 73 2HG2 ILE 9 HG22 ILE 9 10.265 0.600 -4.729 74 3HG2 ILE 9 HG23 ILE 9 8.983 1.313 -3.780 75 1HD1 ILE 9 HD11 ILE 9 12.154 2.828 -2.551 76 2HD1 ILE 9 HD12 ILE 9 11.758 1.160 -2.986 77 3HD1 ILE 9 HD13 ILE 9 13.381 1.814 -3.325 78 H PHE 10 HN PHE 10 8.369 5.249 -4.451 79 HA PHE 10 HA PHE 10 5.816 4.102 -5.070 80 1HB PHE 10 HB2 PHE 10 6.269 5.540 -3.137 81 2HB PHE 10 HB3 PHE 10 6.478 6.904 -4.187 82 HD1 PHE 10 HD1 PHE 10 4.505 8.034 -5.167 83 HD2 PHE 10 HD2 PHE 10 4.066 4.475 -2.794 84 HE1 PHE 10 HE1 PHE 10 2.056 8.445 -4.989 85 HE2 PHE 10 HE2 PHE 10 1.641 4.916 -2.565 86 HZ PHE 10 HZ PHE 10 0.620 6.865 -3.721 87 H VAL 11 HN VAL 11 7.482 6.957 -6.490 88 HA VAL 11 HA VAL 11 5.485 7.583 -8.392 89 HB VAL 11 HB VAL 11 8.465 8.011 -8.348 90 1HG1 VAL 11 HG11 VAL 11 8.050 9.745 -10.106 91 2HG1 VAL 11 HG12 VAL 11 7.812 8.095 -10.696 92 3HG1 VAL 11 HG13 VAL 11 6.402 9.106 -10.301 93 1HG2 VAL 11 HG21 VAL 11 7.041 9.184 -6.608 94 2HG2 VAL 11 HG22 VAL 11 7.848 10.293 -7.722 95 3HG2 VAL 11 HG23 VAL 11 6.123 9.923 -7.924 96 H GLN 12 HN GLN 12 8.338 5.390 -8.667 97 HA GLN 12 HA GLN 12 7.691 4.707 -11.385 98 1HB GLN 12 HB2 GLN 12 9.586 3.397 -9.401 99 2HB GLN 12 HB3 GLN 12 9.391 2.925 -11.099 100 1HG GLN 12 HG2 GLN 12 9.848 5.401 -11.678 101 2HG GLN 12 HG3 GLN 12 10.453 5.559 -10.025 102 1HE2 GLN 12 HE21 GLN 12 11.721 5.513 -12.897 103 2HE2 GLN 12 HE22 GLN 12 13.052 4.390 -12.700 104 H LYS 13 HN LYS 13 6.796 3.084 -8.287 105 HA LYS 13 HA LYS 13 5.021 1.367 -9.917 106 1HB LYS 13 HB2 LYS 13 5.784 -0.693 -8.880 107 2HB LYS 13 HB3 LYS 13 6.967 0.047 -9.946 108 1HG LYS 13 HG2 LYS 13 7.224 0.579 -7.009 109 2HG LYS 13 HG3 LYS 13 7.440 -1.083 -7.562 110 1HD LYS 13 HD2 LYS 13 9.101 -0.069 -9.357 111 2HD LYS 13 HD3 LYS 13 9.064 1.342 -8.301 112 1HE LYS 13 HE2 LYS 13 10.848 0.242 -7.311 113 2HE LYS 13 HE3 LYS 13 9.531 -0.540 -6.412 114 1HZ LYS 13 HZ1 LYS 13 11.043 -2.085 -7.097 115 2HZ LYS 13 HZ2 LYS 13 9.638 -2.375 -7.903 116 3HZ LYS 13 HZ3 LYS 13 10.930 -1.696 -8.692 117 H CYS 14 HN CYS 14 4.372 3.478 -7.858 118 HA CYS 14 HA CYS 14 2.130 1.727 -6.949 119 1HB CYS 14 HB2 CYS 14 3.223 3.968 -5.298 120 2HB CYS 14 HB3 CYS 14 1.825 2.965 -4.901 121 H ALA 15 HN ALA 15 3.259 5.082 -7.373 122 HA ALA 15 HA ALA 15 0.968 6.453 -7.008 123 1HB ALA 15 HB1 ALA 15 2.025 8.279 -8.255 124 2HB ALA 15 HB2 ALA 15 3.246 7.405 -7.311 125 3HB ALA 15 HB3 ALA 15 3.114 7.129 -9.059 126 H GLN 16 HN GLN 16 1.407 4.433 -9.729 127 HA GLN 16 HA GLN 16 0.090 5.768 -11.818 128 1HB GLN 16 HB2 GLN 16 1.380 3.541 -11.862 129 2HB GLN 16 HB3 GLN 16 -0.015 2.779 -11.092 130 1HG GLN 16 HG2 GLN 16 -1.394 3.582 -13.123 131 2HG GLN 16 HG3 GLN 16 0.162 4.049 -13.827 132 1HE2 GLN 16 HE21 GLN 16 -1.951 1.349 -13.055 133 2HE2 GLN 16 HE22 GLN 16 -0.942 0.136 -13.830 134 H CYS 17 HN CYS 17 -1.184 3.627 -9.295 135 HA CYS 17 HA CYS 17 -4.027 4.317 -10.026 136 1HB CYS 17 HB2 CYS 17 -4.396 1.957 -9.261 137 2HB CYS 17 HB3 CYS 17 -3.675 2.235 -10.864 138 H HIS 18 HN HIS 18 -1.873 5.103 -7.679 139 HA HIS 18 HA HIS 18 -4.067 5.237 -5.647 140 1HB HIS 18 HB2 HIS 18 -1.200 4.284 -5.227 141 2HB HIS 18 HB3 HIS 18 -2.203 4.885 -3.915 142 HD1 HIS 18 HD1 HIS 18 -4.466 3.411 -3.322 143 HD2 HIS 18 HD2 HIS 18 -1.293 1.704 -5.493 144 HE1 HIS 18 HE1 HIS 18 -4.467 0.897 -2.818 145 H THR 19 HN THR 19 -3.430 6.754 -3.888 146 HA THR 19 HA THR 19 -1.720 9.020 -4.583 147 HB THR 19 HB THR 19 -3.713 10.544 -3.975 148 HG1 THR 19 HG1 THR 19 -5.727 9.707 -4.268 149 1HG2 THR 19 HG21 THR 19 -4.535 10.675 -6.271 150 2HG2 THR 19 HG22 THR 19 -2.811 10.305 -6.332 151 3HG2 THR 19 HG23 THR 19 -4.048 9.028 -6.585 152 H VAL 20 HN VAL 20 -1.096 10.016 -2.679 153 HA VAL 20 HA VAL 20 -2.145 8.968 -0.089 154 HB VAL 20 HB VAL 20 0.166 9.625 0.830 155 1HG1 VAL 20 HG11 VAL 20 0.128 7.498 -1.341 156 2HG1 VAL 20 HG12 VAL 20 1.358 7.674 -0.073 157 3HG1 VAL 20 HG13 VAL 20 -0.306 7.290 0.374 158 1HG2 VAL 20 HG21 VAL 20 0.967 11.155 -0.828 159 2HG2 VAL 20 HG22 VAL 20 1.998 9.702 -0.854 160 3HG2 VAL 20 HG23 VAL 20 0.828 9.942 -2.133 161 H GLU 21 HN GLU 21 -1.948 11.674 -2.110 162 HA GLU 21 HA GLU 21 -1.793 13.795 -0.142 163 1HB GLU 21 HB2 GLU 21 -2.333 15.089 -2.355 164 2HB GLU 21 HB3 GLU 21 -0.763 14.300 -2.226 165 1HG GLU 21 HG2 GLU 21 -1.387 12.515 -3.694 166 2HG GLU 21 HG3 GLU 21 -3.121 12.895 -3.516 167 H LYS 22 HN LYS 22 -3.545 15.331 0.162 168 HA LYS 22 HA LYS 22 -6.292 14.324 -0.014 169 1HB LYS 22 HB2 LYS 22 -5.191 17.100 0.491 170 2HB LYS 22 HB3 LYS 22 -6.907 16.662 0.427 171 1HG LYS 22 HG2 LYS 22 -6.326 14.835 2.206 172 2HG LYS 22 HG3 LYS 22 -4.821 15.750 2.435 173 1HD LYS 22 HD2 LYS 22 -6.240 17.803 2.729 174 2HD LYS 22 HD3 LYS 22 -7.692 16.783 2.663 175 1HE LYS 22 HE2 LYS 22 -6.825 15.471 4.631 176 2HE LYS 22 HE3 LYS 22 -5.454 16.584 4.749 177 1HZ LYS 22 HZ1 LYS 22 -8.301 17.299 5.047 178 2HZ LYS 22 HZ2 LYS 22 -7.037 18.351 5.172 179 3HZ LYS 22 HZ3 LYS 22 -7.213 17.136 6.267 180 H GLY 23 HN GLY 23 -7.866 15.067 -1.589 181 1HA GLY 23 HA1 GLY 23 -8.595 16.011 -3.576 182 2HA GLY 23 HA2 GLY 23 -7.002 16.723 -3.850 183 H GLY 24 HN GLY 24 -5.450 14.280 -3.676 184 1HA GLY 24 HA1 GLY 24 -5.376 13.373 -6.248 185 2HA GLY 24 HA2 GLY 24 -4.831 12.424 -4.886 186 H LYS 25 HN LYS 25 -7.050 12.735 -7.253 187 HA LYS 25 HA LYS 25 -9.372 11.516 -6.575 188 1HB LYS 25 HB2 LYS 25 -9.668 10.926 -8.947 189 2HB LYS 25 HB3 LYS 25 -8.980 12.539 -8.722 190 1HG LYS 25 HG2 LYS 25 -6.666 11.408 -9.084 191 2HG LYS 25 HG3 LYS 25 -7.568 10.016 -9.680 192 1HD LYS 25 HD2 LYS 25 -7.903 12.845 -10.780 193 2HD LYS 25 HD3 LYS 25 -6.681 11.718 -11.383 194 1HE LYS 25 HE2 LYS 25 -8.406 10.092 -12.038 195 2HE LYS 25 HE3 LYS 25 -9.683 11.136 -11.393 196 1HZ LYS 25 HZ1 LYS 25 -9.116 12.772 -13.037 197 2HZ LYS 25 HZ2 LYS 25 -7.876 11.855 -13.613 198 3HZ LYS 25 HZ3 LYS 25 -9.426 11.338 -13.775 199 H HIS 26 HN HIS 26 -10.206 9.532 -6.226 200 HA HIS 26 HA HIS 26 -8.736 7.120 -5.790 201 1HB HIS 26 HB2 HIS 26 -11.582 7.997 -6.015 202 2HB HIS 26 HB3 HIS 26 -11.284 6.400 -6.671 203 HD1 HIS 26 HD1 HIS 26 -10.498 8.142 -3.259 204 HD2 HIS 26 HD2 HIS 26 -11.591 4.507 -5.062 205 HE1 HIS 26 HE1 HIS 26 -10.869 6.465 -1.360 206 H LYS 27 HN LYS 27 -7.742 5.891 -7.295 207 HA LYS 27 HA LYS 27 -8.435 6.140 -10.196 208 1HB LYS 27 HB2 LYS 27 -5.941 5.385 -8.669 209 2HB LYS 27 HB3 LYS 27 -6.082 5.248 -10.425 210 1HG LYS 27 HG2 LYS 27 -5.944 7.500 -10.805 211 2HG LYS 27 HG3 LYS 27 -6.546 7.940 -9.193 212 1HD LYS 27 HD2 LYS 27 -4.538 7.255 -8.109 213 2HD LYS 27 HD3 LYS 27 -3.920 6.477 -9.572 214 1HE LYS 27 HE2 LYS 27 -3.651 8.638 -10.691 215 2HE LYS 27 HE3 LYS 27 -4.266 9.468 -9.244 216 1HZ LYS 27 HZ1 LYS 27 -2.363 8.377 -8.038 217 2HZ LYS 27 HZ2 LYS 27 -1.897 9.480 -9.178 218 3HZ LYS 27 HZ3 LYS 27 -1.768 7.870 -9.446 219 H THR 28 HN THR 28 -6.882 3.533 -10.546 220 HA THR 28 HA THR 28 -8.931 1.677 -10.075 221 HB THR 28 HB THR 28 -5.967 1.196 -10.518 222 HG1 THR 28 HG1 THR 28 -8.145 1.714 -12.214 223 1HG2 THR 28 HG21 THR 28 -8.367 -0.641 -10.882 224 2HG2 THR 28 HG22 THR 28 -6.742 -0.949 -11.535 225 3HG2 THR 28 HG23 THR 28 -6.989 -0.876 -9.788 226 H GLY 29 HN GLY 29 -6.122 2.644 -8.036 227 1HA GLY 29 HA1 GLY 29 -7.028 0.791 -5.909 228 2HA GLY 29 HA2 GLY 29 -5.481 1.640 -5.995 229 HA PRO 30 HA PRO 30 -8.834 4.376 -4.043 230 1HB PRO 30 HB2 PRO 30 -8.935 3.730 -1.411 231 2HB PRO 30 HB3 PRO 30 -9.812 2.813 -2.612 232 1HG PRO 30 HG2 PRO 30 -7.079 2.113 -1.500 233 2HG PRO 30 HG3 PRO 30 -8.522 1.063 -1.566 234 1HD PRO 30 HD2 PRO 30 -6.651 0.949 -3.520 235 2HD PRO 30 HD3 PRO 30 -8.381 0.865 -3.932 236 H ASN 31 HN ASN 31 -8.423 6.236 -2.635 237 HA ASN 31 HA ASN 31 -5.642 7.077 -2.598 238 1HB ASN 31 HB2 ASN 31 -7.487 8.619 -2.968 239 2HB ASN 31 HB3 ASN 31 -8.027 8.405 -1.292 240 1HD2 ASN 31 HD21 ASN 31 -6.920 10.841 -2.801 241 2HD2 ASN 31 HD22 ASN 31 -5.632 11.386 -1.738 242 H LEU 32 HN LEU 32 -4.228 6.682 -0.979 243 HA LEU 32 HA LEU 32 -4.829 4.934 1.332 244 1HB LEU 32 HB2 LEU 32 -2.412 6.569 0.455 245 2HB LEU 32 HB3 LEU 32 -2.393 5.384 1.750 246 HG LEU 32 HG LEU 32 -2.935 4.851 -1.204 247 1HD1 LEU 32 HD11 LEU 32 -0.823 3.533 -1.068 248 2HD1 LEU 32 HD12 LEU 32 -0.590 5.258 -0.780 249 3HD1 LEU 32 HD13 LEU 32 -0.586 4.126 0.591 250 1HD2 LEU 32 HD21 LEU 32 -4.283 3.238 -0.046 251 2HD2 LEU 32 HD22 LEU 32 -2.802 2.392 -0.496 252 3HD2 LEU 32 HD23 LEU 32 -3.020 2.959 1.165 253 H HIS 33 HN HIS 33 -4.319 8.451 0.885 254 HA HIS 33 HA HIS 33 -3.956 9.993 2.781 255 1HB HIS 33 HB2 HIS 33 -5.664 10.620 1.280 256 2HB HIS 33 HB3 HIS 33 -6.776 9.380 1.880 257 HD1 HIS 33 HD1 HIS 33 -8.622 10.403 3.310 258 HD2 HIS 33 HD2 HIS 33 -5.013 12.567 3.385 259 HE1 HIS 33 HE1 HIS 33 -9.051 12.489 4.720 260 H GLY 34 HN GLY 34 -3.060 9.026 4.585 261 1HA GLY 34 HA1 GLY 34 -3.021 8.420 6.810 262 2HA GLY 34 HA2 GLY 34 -4.767 8.679 6.894 263 H LEU 35 HN LEU 35 -2.498 6.405 5.249 264 HA LEU 35 HA LEU 35 -4.346 4.172 5.350 265 1HB LEU 35 HB2 LEU 35 -2.809 4.323 3.552 266 2HB LEU 35 HB3 LEU 35 -1.424 4.519 4.633 267 HG LEU 35 HG LEU 35 -1.789 2.110 5.396 268 1HD1 LEU 35 HD11 LEU 35 -3.760 2.066 3.084 269 2HD1 LEU 35 HD12 LEU 35 -3.095 0.652 3.921 270 3HD1 LEU 35 HD13 LEU 35 -4.118 1.797 4.798 271 1HD2 LEU 35 HD21 LEU 35 -1.229 2.584 2.445 272 2HD2 LEU 35 HD22 LEU 35 -0.063 2.837 3.748 273 3HD2 LEU 35 HD23 LEU 35 -0.698 1.215 3.431 274 H PHE 36 HN PHE 36 -1.113 4.689 6.897 275 HA PHE 36 HA PHE 36 -1.206 2.369 8.446 276 1HB PHE 36 HB2 PHE 36 0.274 4.956 8.980 277 2HB PHE 36 HB3 PHE 36 0.671 3.364 9.625 278 HD1 PHE 36 HD1 PHE 36 2.591 5.141 8.199 279 HD2 PHE 36 HD2 PHE 36 0.089 1.939 6.752 280 HE1 PHE 36 HE1 PHE 36 4.315 4.476 6.479 281 HE2 PHE 36 HE2 PHE 36 1.702 1.490 4.960 282 HZ PHE 36 HZ PHE 36 3.928 2.675 4.993 283 H GLY 37 HN GLY 37 -2.271 1.807 10.120 284 1HA GLY 37 HA1 GLY 37 -3.088 2.185 12.377 285 2HA GLY 37 HA2 GLY 37 -3.498 3.851 11.958 286 H ARG 38 HN ARG 38 -4.433 2.446 9.159 287 HA ARG 38 HA ARG 38 -7.181 1.890 10.149 288 1HB ARG 38 HB2 ARG 38 -6.128 2.448 7.341 289 2HB ARG 38 HB3 ARG 38 -7.785 2.139 7.824 290 1HG ARG 38 HG2 ARG 38 -7.380 4.141 9.518 291 2HG ARG 38 HG3 ARG 38 -6.082 4.522 8.379 292 1HD ARG 38 HD2 ARG 38 -9.086 4.261 7.819 293 2HD ARG 38 HD3 ARG 38 -8.125 5.735 7.809 294 HE ARG 38 HE ARG 38 -7.727 3.414 5.919 295 1HH1 ARG 38 HH22 ARG 38 -8.014 6.918 6.301 296 2HH1 ARG 38 HH21 ARG 38 -7.177 7.286 4.842 297 1HH2 ARG 38 HH12 ARG 38 -6.874 3.879 3.837 298 2HH2 ARG 38 HH11 ARG 38 -6.460 5.527 3.476 299 H LYS 39 HN LYS 39 -8.305 0.200 8.974 300 HA LYS 39 HA LYS 39 -6.630 -2.173 8.747 301 1HB LYS 39 HB2 LYS 39 -9.662 -1.937 8.768 302 2HB LYS 39 HB3 LYS 39 -8.730 -3.437 8.852 303 1HG LYS 39 HG2 LYS 39 -7.648 -2.557 10.980 304 2HG LYS 39 HG3 LYS 39 -8.834 -1.234 10.951 305 1HD LYS 39 HD2 LYS 39 -10.657 -3.018 10.824 306 2HD LYS 39 HD3 LYS 39 -9.382 -4.232 11.066 307 1HE LYS 39 HE2 LYS 39 -8.759 -3.085 13.224 308 2HE LYS 39 HE3 LYS 39 -10.112 -1.962 12.988 309 1HZ LYS 39 HZ1 LYS 39 -11.599 -3.863 13.056 310 2HZ LYS 39 HZ2 LYS 39 -10.330 -4.884 13.304 311 3HZ LYS 39 HZ3 LYS 39 -10.715 -3.754 14.437 312 H THR 40 HN THR 40 -7.294 -3.828 7.205 313 HA THR 40 HA THR 40 -6.957 -3.263 4.476 314 HB THR 40 HB THR 40 -8.115 -5.502 4.335 315 HG1 THR 40 HG1 THR 40 -9.322 -5.190 6.236 316 1HG2 THR 40 HG21 THR 40 -5.681 -5.430 4.493 317 2HG2 THR 40 HG22 THR 40 -5.739 -5.129 6.243 318 3HG2 THR 40 HG23 THR 40 -6.237 -6.696 5.593 319 H GLY 41 HN GLY 41 -8.276 -1.891 3.332 320 1HA GLY 41 HA1 GLY 41 -10.101 -1.371 2.084 321 2HA GLY 41 HA2 GLY 41 -10.973 -2.735 2.799 322 H GLN 42 HN GLN 42 -9.603 0.313 4.096 323 HA GLN 42 HA GLN 42 -12.256 1.050 5.304 324 1HB GLN 42 HB2 GLN 42 -9.383 1.866 5.841 325 2HB GLN 42 HB3 GLN 42 -10.751 2.787 6.474 326 1HG GLN 42 HG2 GLN 42 -10.327 -0.189 6.984 327 2HG GLN 42 HG3 GLN 42 -9.818 1.119 8.072 328 1HE2 GLN 42 HE21 GLN 42 -11.530 -0.873 9.016 329 2HE2 GLN 42 HE22 GLN 42 -13.072 -0.095 9.340 330 H ALA 43 HN ALA 43 -9.776 2.200 3.002 331 HA ALA 43 HA ALA 43 -10.438 4.895 2.926 332 1HB ALA 43 HB1 ALA 43 -9.441 4.857 0.647 333 2HB ALA 43 HB2 ALA 43 -8.460 3.997 1.852 334 3HB ALA 43 HB3 ALA 43 -9.454 3.075 0.710 335 HA PRO 44 HA PRO 44 -14.594 4.160 1.324 336 1HB PRO 44 HB2 PRO 44 -15.690 6.643 1.506 337 2HB PRO 44 HB3 PRO 44 -15.342 5.615 2.926 338 1HG PRO 44 HG2 PRO 44 -13.629 7.845 1.803 339 2HG PRO 44 HG3 PRO 44 -14.119 7.591 3.504 340 1HD PRO 44 HD2 PRO 44 -11.699 6.768 2.550 341 2HD PRO 44 HD3 PRO 44 -12.593 5.797 3.762 342 H GLY 45 HN GLY 45 -14.932 3.794 -0.790 343 1HA GLY 45 HA1 GLY 45 -15.675 5.370 -2.748 344 2HA GLY 45 HA2 GLY 45 -13.934 5.644 -2.890 345 H PHE 46 HN PHE 46 -12.590 3.504 -2.805 346 HA PHE 46 HA PHE 46 -13.483 2.028 -5.041 347 1HB PHE 46 HB2 PHE 46 -11.052 2.386 -4.405 348 2HB PHE 46 HB3 PHE 46 -11.252 1.210 -3.115 349 HD1 PHE 46 HD1 PHE 46 -10.961 -1.141 -3.615 350 HD2 PHE 46 HD2 PHE 46 -11.576 1.677 -6.833 351 HE1 PHE 46 HE1 PHE 46 -10.666 -2.957 -5.274 352 HE2 PHE 46 HE2 PHE 46 -11.310 -0.153 -8.473 353 HZ PHE 46 HZ PHE 46 -10.838 -2.471 -7.695 354 H THR 47 HN THR 47 -14.188 -0.216 -5.218 355 HA THR 47 HA THR 47 -15.677 -1.266 -2.944 356 HB THR 47 HB THR 47 -15.241 -2.473 -5.709 357 HG1 THR 47 HG1 THR 47 -17.174 -1.387 -6.184 358 1HG2 THR 47 HG21 THR 47 -17.399 -3.576 -5.250 359 2HG2 THR 47 HG22 THR 47 -16.193 -4.043 -4.043 360 3HG2 THR 47 HG23 THR 47 -17.443 -2.849 -3.630 361 H TYR 48 HN TYR 48 -14.417 -2.274 -1.338 362 HA TYR 48 HA TYR 48 -11.949 -3.568 -1.795 363 1HB TYR 48 HB2 TYR 48 -13.779 -4.395 0.461 364 2HB TYR 48 HB3 TYR 48 -12.047 -4.124 0.458 365 HD1 TYR 48 HD1 TYR 48 -11.405 -1.547 -0.234 366 HD2 TYR 48 HD2 TYR 48 -15.076 -2.835 1.630 367 HE1 TYR 48 HE1 TYR 48 -11.882 0.776 0.432 368 HE2 TYR 48 HE2 TYR 48 -15.567 -0.491 2.267 369 HH TYR 48 HH TYR 48 -13.439 2.185 1.277 370 H THR 49 HN THR 49 -11.675 -6.021 -1.109 371 HA THR 49 HA THR 49 -13.702 -7.715 -2.493 372 HB THR 49 HB THR 49 -11.816 -9.250 -2.817 373 HG1 THR 49 HG1 THR 49 -9.684 -8.184 -2.408 374 1HG2 THR 49 HG21 THR 49 -10.628 -7.956 -4.527 375 2HG2 THR 49 HG22 THR 49 -12.339 -7.497 -4.534 376 3HG2 THR 49 HG23 THR 49 -11.133 -6.427 -3.794 377 H ASP 50 HN ASP 50 -14.198 -9.751 -1.530 378 HA ASP 50 HA ASP 50 -14.728 -9.896 1.192 379 1HB ASP 50 HB2 ASP 50 -15.656 -11.513 -0.389 380 2HB ASP 50 HB3 ASP 50 -14.055 -12.185 -0.730 381 H ALA 51 HN ALA 51 -12.056 -11.500 -0.449 382 HA ALA 51 HA ALA 51 -10.571 -12.483 1.539 383 1HB ALA 51 HB1 ALA 51 -10.105 -12.792 -0.859 384 2HB ALA 51 HB2 ALA 51 -9.489 -11.131 -0.976 385 3HB ALA 51 HB3 ALA 51 -8.633 -12.345 0.013 386 H ASN 52 HN ASN 52 -10.210 -9.082 0.311 387 HA ASN 52 HA ASN 52 -8.099 -8.408 2.085 388 1HB ASN 52 HB2 ASN 52 -8.978 -7.090 0.042 389 2HB ASN 52 HB3 ASN 52 -10.233 -6.462 1.114 390 1HD2 ASN 52 HD21 ASN 52 -9.327 -4.292 0.717 391 2HD2 ASN 52 HD22 ASN 52 -7.812 -3.818 1.447 392 H LYS 53 HN LYS 53 -11.648 -8.226 2.397 393 HA LYS 53 HA LYS 53 -11.655 -7.055 5.016 394 1HB LYS 53 HB2 LYS 53 -13.541 -7.280 3.160 395 2HB LYS 53 HB3 LYS 53 -13.898 -8.803 3.992 396 1HG LYS 53 HG2 LYS 53 -14.077 -7.495 6.149 397 2HG LYS 53 HG3 LYS 53 -13.803 -6.010 5.208 398 1HD LYS 53 HD2 LYS 53 -15.806 -6.635 3.783 399 2HD LYS 53 HD3 LYS 53 -16.112 -7.981 4.901 400 1HE LYS 53 HE2 LYS 53 -16.274 -6.314 6.792 401 2HE LYS 53 HE3 LYS 53 -16.027 -5.001 5.626 402 1HZ LYS 53 HZ1 LYS 53 -18.062 -5.684 4.532 403 2HZ LYS 53 HZ2 LYS 53 -18.297 -6.881 5.639 404 3HZ LYS 53 HZ3 LYS 53 -18.336 -5.305 6.107 405 H ASN 54 HN ASN 54 -11.628 -10.409 3.822 406 HA ASN 54 HA ASN 54 -12.126 -11.797 6.232 407 1HB ASN 54 HB2 ASN 54 -11.993 -12.657 3.828 408 2HB ASN 54 HB3 ASN 54 -10.233 -12.638 3.988 409 1HD2 ASN 54 HD21 ASN 54 -12.567 -14.766 3.823 410 2HD2 ASN 54 HD22 ASN 54 -11.999 -15.953 4.991 411 H LYS 55 HN LYS 55 -9.168 -10.543 4.747 412 HA LYS 55 HA LYS 55 -7.318 -11.408 6.668 413 1HB LYS 55 HB2 LYS 55 -7.243 -10.107 4.250 414 2HB LYS 55 HB3 LYS 55 -6.780 -8.788 5.304 415 1HG LYS 55 HG2 LYS 55 -5.521 -11.562 5.388 416 2HG LYS 55 HG3 LYS 55 -4.990 -10.319 4.259 417 1HD LYS 55 HD2 LYS 55 -4.441 -8.771 5.989 418 2HD LYS 55 HD3 LYS 55 -4.994 -9.869 7.263 419 1HE LYS 55 HE2 LYS 55 -2.642 -10.168 5.348 420 2HE LYS 55 HE3 LYS 55 -2.540 -9.948 7.101 421 1HZ LYS 55 HZ1 LYS 55 -3.660 -12.160 7.249 422 2HZ LYS 55 HZ2 LYS 55 -3.463 -12.294 5.603 423 3HZ LYS 55 HZ3 LYS 55 -2.150 -12.197 6.583 424 H GLY 56 HN GLY 56 -8.838 -8.125 6.474 425 1HA GLY 56 HA1 GLY 56 -9.669 -6.805 8.150 426 2HA GLY 56 HA2 GLY 56 -9.750 -8.286 9.085 427 H ILE 57 HN ILE 57 -6.514 -7.298 8.270 428 HA ILE 57 HA ILE 57 -5.969 -6.720 11.123 429 HB ILE 57 HB ILE 57 -3.604 -6.654 10.422 430 1HG1 ILE 57 HG12 ILE 57 -4.550 -7.423 7.646 431 2HG1 ILE 57 HG13 ILE 57 -4.145 -5.765 8.061 432 1HG2 ILE 57 HG21 ILE 57 -5.102 -9.119 9.457 433 2HG2 ILE 57 HG22 ILE 57 -3.389 -9.047 9.910 434 3HG2 ILE 57 HG23 ILE 57 -4.637 -8.758 11.125 435 1HD1 ILE 57 HD11 ILE 57 -2.160 -8.036 8.304 436 2HD1 ILE 57 HD12 ILE 57 -2.272 -6.845 6.987 437 3HD1 ILE 57 HD13 ILE 57 -1.895 -6.314 8.636 438 H THR 58 HN THR 58 -4.396 -4.893 11.570 439 HA THR 58 HA THR 58 -5.187 -2.366 10.260 440 HB THR 58 HB THR 58 -3.550 -2.777 12.770 441 HG1 THR 58 HG1 THR 58 -5.527 -2.451 13.842 442 1HG2 THR 58 HG21 THR 58 -3.428 -0.509 11.730 443 2HG2 THR 58 HG22 THR 58 -5.204 -0.437 11.730 444 3HG2 THR 58 HG23 THR 58 -4.313 -0.465 13.263 445 H TRP 59 HN TRP 59 -3.653 -1.150 9.097 446 HA TRP 59 HA TRP 59 -1.177 -2.545 8.344 447 1HB TRP 59 HB2 TRP 59 -2.379 0.100 7.465 448 2HB TRP 59 HB3 TRP 59 -0.925 -0.633 6.795 449 HD1 TRP 59 HD1 TRP 59 -4.579 -0.546 6.366 450 HE1 TRP 59 HE1 TRP 59 -5.264 -2.101 4.457 451 HE3 TRP 59 HE3 TRP 59 -0.295 -3.299 5.979 452 HZ2 TRP 59 HZ2 TRP 59 -4.147 -4.455 3.064 453 HZ3 TRP 59 HZ3 TRP 59 -0.101 -5.149 4.336 454 HH2 TRP 59 HH2 TRP 59 -2.009 -5.711 2.811 455 H LYS 60 HN LYS 60 0.825 -2.044 9.015 456 HA LYS 60 HA LYS 60 1.348 0.524 10.468 457 1HB LYS 60 HB2 LYS 60 3.124 -0.986 11.725 458 2HB LYS 60 HB3 LYS 60 1.513 -0.753 12.309 459 1HG LYS 60 HG2 LYS 60 0.732 -2.887 11.507 460 2HG LYS 60 HG3 LYS 60 2.287 -3.214 10.716 461 1HD LYS 60 HD2 LYS 60 3.440 -3.087 12.893 462 2HD LYS 60 HD3 LYS 60 1.915 -2.692 13.705 463 1HE LYS 60 HE2 LYS 60 0.983 -4.903 13.129 464 2HE LYS 60 HE3 LYS 60 2.436 -5.288 12.184 465 1HZ LYS 60 HZ1 LYS 60 2.439 -4.845 15.089 466 2HZ LYS 60 HZ2 LYS 60 2.586 -6.299 14.314 467 3HZ LYS 60 HZ3 LYS 60 3.741 -5.156 14.138 468 H GLU 61 HN GLU 61 3.712 -1.951 9.945 469 HA GLU 61 HA GLU 61 4.756 -0.787 7.462 470 1HB GLU 61 HB2 GLU 61 7.042 -0.520 8.569 471 2HB GLU 61 HB3 GLU 61 5.795 0.700 8.792 472 1HG GLU 61 HG2 GLU 61 5.358 -0.626 11.094 473 2HG GLU 61 HG3 GLU 61 7.035 -1.116 10.824 474 H GLU 62 HN GLU 62 5.409 -3.057 10.137 475 HA GLU 62 HA GLU 62 6.771 -5.117 8.779 476 1HB GLU 62 HB2 GLU 62 4.508 -5.340 10.824 477 2HB GLU 62 HB3 GLU 62 5.630 -6.637 10.414 478 1HG GLU 62 HG2 GLU 62 7.479 -5.490 11.412 479 2HG GLU 62 HG3 GLU 62 6.571 -3.980 11.590 480 H THR 63 HN THR 63 3.261 -4.504 8.989 481 HA THR 63 HA THR 63 2.327 -6.778 7.653 482 HB THR 63 HB THR 63 0.304 -5.224 7.281 483 HG1 THR 63 HG1 THR 63 1.493 -3.259 7.269 484 1HG2 THR 63 HG21 THR 63 0.488 -6.663 9.250 485 2HG2 THR 63 HG22 THR 63 1.525 -5.483 10.064 486 3HG2 THR 63 HG23 THR 63 -0.166 -5.080 9.722 487 H LEU 64 HN LEU 64 3.539 -3.665 6.354 488 HA LEU 64 HA LEU 64 2.596 -4.313 3.651 489 1HB LEU 64 HB2 LEU 64 4.370 -2.083 4.535 490 2HB LEU 64 HB3 LEU 64 3.626 -2.301 2.959 491 HG LEU 64 HG LEU 64 1.446 -2.584 4.677 492 1HD1 LEU 64 HD11 LEU 64 2.774 -1.749 6.584 493 2HD1 LEU 64 HD12 LEU 64 3.163 -0.280 5.677 494 3HD1 LEU 64 HD13 LEU 64 1.484 -0.619 6.161 495 1HD2 LEU 64 HD21 LEU 64 1.444 -1.442 2.516 496 2HD2 LEU 64 HD22 LEU 64 0.697 -0.462 3.785 497 3HD2 LEU 64 HD23 LEU 64 2.344 -0.077 3.218 498 H MET 65 HN MET 65 5.659 -4.149 5.492 499 HA MET 65 HA MET 65 7.514 -5.032 3.583 500 1HB MET 65 HB2 MET 65 7.185 -5.082 6.520 501 2HB MET 65 HB3 MET 65 8.148 -6.420 5.940 502 1HG MET 65 HG2 MET 65 9.706 -4.867 4.867 503 2HG MET 65 HG3 MET 65 8.613 -3.517 5.163 504 1HE MET 65 HE1 MET 65 10.982 -6.125 6.751 505 2HE MET 65 HE2 MET 65 9.556 -6.377 7.792 506 3HE MET 65 HE3 MET 65 11.026 -5.635 8.462 507 H GLU 66 HN GLU 66 5.199 -6.970 5.475 508 HA GLU 66 HA GLU 66 6.043 -9.404 4.245 509 1HB GLU 66 HB2 GLU 66 5.071 -8.931 6.568 510 2HB GLU 66 HB3 GLU 66 3.480 -9.012 5.812 511 1HG GLU 66 HG2 GLU 66 3.912 -11.352 5.179 512 2HG GLU 66 HG3 GLU 66 5.618 -11.197 5.634 513 H TYR 67 HN TYR 67 3.298 -7.202 3.730 514 HA TYR 67 HA TYR 67 1.683 -8.873 2.023 515 1HB TYR 67 HB2 TYR 67 0.567 -7.092 3.157 516 2HB TYR 67 HB3 TYR 67 1.785 -5.936 2.668 517 HD1 TYR 67 HD1 TYR 67 1.147 -4.299 1.160 518 HD2 TYR 67 HD2 TYR 67 -0.696 -8.191 0.961 519 HE1 TYR 67 HE1 TYR 67 -0.365 -3.493 -0.632 520 HE2 TYR 67 HE2 TYR 67 -2.119 -7.392 -0.927 521 HH TYR 67 HH TYR 67 -2.028 -4.289 -2.364 522 H LEU 68 HN LEU 68 3.734 -5.984 1.398 523 HA LEU 68 HA LEU 68 3.662 -6.090 -1.429 524 1HB LEU 68 HB2 LEU 68 5.791 -5.122 0.480 525 2HB LEU 68 HB3 LEU 68 5.816 -4.813 -1.250 526 HG LEU 68 HG LEU 68 3.527 -3.920 0.562 527 1HD1 LEU 68 HD11 LEU 68 4.588 -1.691 0.520 528 2HD1 LEU 68 HD12 LEU 68 5.628 -2.884 1.311 529 3HD1 LEU 68 HD13 LEU 68 5.984 -2.368 -0.349 530 1HD2 LEU 68 HD21 LEU 68 2.926 -4.024 -1.834 531 2HD2 LEU 68 HD22 LEU 68 3.096 -2.345 -1.325 532 3HD2 LEU 68 HD23 LEU 68 4.396 -3.118 -2.252 533 H GLU 69 HN GLU 69 5.280 -8.269 0.846 534 HA GLU 69 HA GLU 69 7.162 -9.162 -1.233 535 1HB GLU 69 HB2 GLU 69 7.650 -9.406 1.194 536 2HB GLU 69 HB3 GLU 69 6.428 -10.676 1.296 537 1HG GLU 69 HG2 GLU 69 7.621 -12.124 -0.164 538 2HG GLU 69 HG3 GLU 69 8.627 -10.826 -0.806 539 H ASN 70 HN ASN 70 3.950 -10.182 -0.055 540 HA ASN 70 HA ASN 70 3.452 -11.777 -2.480 541 1HB ASN 70 HB2 ASN 70 4.138 -13.082 0.138 542 2HB ASN 70 HB3 ASN 70 2.726 -13.688 -0.725 543 1HD2 ASN 70 HD21 ASN 70 6.227 -13.532 -0.870 544 2HD2 ASN 70 HD22 ASN 70 6.351 -14.655 -2.208 545 HA PRO 71 HA PRO 71 -0.138 -9.545 -0.813 546 1HB PRO 71 HB2 PRO 71 -1.576 -9.443 -3.186 547 2HB PRO 71 HB3 PRO 71 -0.329 -8.259 -2.702 548 1HG PRO 71 HG2 PRO 71 -0.006 -10.647 -4.517 549 2HG PRO 71 HG3 PRO 71 0.576 -8.981 -4.777 550 1HD PRO 71 HD2 PRO 71 2.196 -10.896 -3.874 551 2HD PRO 71 HD3 PRO 71 2.333 -9.255 -3.181 552 H LYS 72 HN LYS 72 -0.024 -12.430 -2.945 553 HA LYS 72 HA LYS 72 -2.554 -13.436 -2.233 554 1HB LYS 72 HB2 LYS 72 -1.815 -15.492 -3.162 555 2HB LYS 72 HB3 LYS 72 -1.359 -14.147 -4.208 556 1HG LYS 72 HG2 LYS 72 0.990 -14.303 -3.438 557 2HG LYS 72 HG3 LYS 72 0.549 -15.582 -2.289 558 1HD LYS 72 HD2 LYS 72 -0.204 -17.021 -4.142 559 2HD LYS 72 HD3 LYS 72 0.256 -15.762 -5.311 560 1HE LYS 72 HE2 LYS 72 2.616 -15.905 -4.574 561 2HE LYS 72 HE3 LYS 72 2.185 -17.088 -3.330 562 1HZ LYS 72 HZ1 LYS 72 1.534 -18.601 -5.078 563 2HZ LYS 72 HZ2 LYS 72 1.940 -17.501 -6.236 564 3HZ LYS 72 HZ3 LYS 72 3.100 -18.135 -5.259 565 H LYS 73 HN LYS 73 0.520 -13.577 -0.436 566 HA LYS 73 HA LYS 73 -0.377 -15.904 1.146 567 1HB LYS 73 HB2 LYS 73 2.032 -15.554 0.704 568 2HB LYS 73 HB3 LYS 73 1.979 -14.017 1.598 569 1HG LYS 73 HG2 LYS 73 1.338 -15.204 3.656 570 2HG LYS 73 HG3 LYS 73 1.237 -16.737 2.771 571 1HD LYS 73 HD2 LYS 73 3.661 -16.607 2.269 572 2HD LYS 73 HD3 LYS 73 3.759 -15.053 3.130 573 1HE LYS 73 HE2 LYS 73 3.009 -16.166 5.233 574 2HE LYS 73 HE3 LYS 73 2.896 -17.716 4.382 575 1HZ LYS 73 HZ1 LYS 73 5.273 -17.598 4.008 576 2HZ LYS 73 HZ2 LYS 73 5.365 -16.158 4.807 577 3HZ LYS 73 HZ3 LYS 73 4.928 -17.518 5.613 578 H TYR 74 HN TYR 74 -0.082 -12.359 1.448 579 HA TYR 74 HA TYR 74 -1.160 -12.341 4.131 580 1HB TYR 74 HB2 TYR 74 -0.160 -10.387 2.194 581 2HB TYR 74 HB3 TYR 74 -1.671 -9.823 2.880 582 HD1 TYR 74 HD1 TYR 74 1.087 -11.867 4.446 583 HD2 TYR 74 HD2 TYR 74 -1.080 -8.132 4.453 584 HE1 TYR 74 HE1 TYR 74 1.731 -11.476 6.782 585 HE2 TYR 74 HE2 TYR 74 -0.050 -7.569 6.638 586 HH TYR 74 HH TYR 74 2.278 -9.698 8.225 587 H ILE 75 HN ILE 75 -2.636 -11.665 0.966 588 HA ILE 75 HA ILE 75 -5.357 -11.980 2.160 589 HB ILE 75 HB ILE 75 -4.351 -10.260 -0.115 590 1HG1 ILE 75 HG12 ILE 75 -5.729 -9.210 2.364 591 2HG1 ILE 75 HG13 ILE 75 -3.990 -9.533 2.405 592 1HG2 ILE 75 HG21 ILE 75 -6.643 -11.110 -0.585 593 2HG2 ILE 75 HG22 ILE 75 -7.145 -10.622 1.042 594 3HG2 ILE 75 HG23 ILE 75 -6.714 -9.397 -0.165 595 1HD1 ILE 75 HD11 ILE 75 -3.578 -8.089 0.551 596 2HD1 ILE 75 HD12 ILE 75 -5.299 -7.683 0.396 597 3HD1 ILE 75 HD13 ILE 75 -4.397 -7.211 1.853 598 HA PRO 76 HA PRO 76 -4.560 -15.437 -0.802 599 1HB PRO 76 HB2 PRO 76 -6.357 -17.256 0.161 600 2HB PRO 76 HB3 PRO 76 -4.755 -16.949 0.888 601 1HG PRO 76 HG2 PRO 76 -7.423 -15.833 1.759 602 2HG PRO 76 HG3 PRO 76 -6.135 -16.552 2.778 603 1HD PRO 76 HD2 PRO 76 -6.442 -13.865 2.479 604 2HD PRO 76 HD3 PRO 76 -4.814 -14.597 2.632 605 H GLY 77 HN GLY 77 -5.274 -14.127 -2.486 606 1HA GLY 77 HA1 GLY 77 -6.635 -14.882 -4.436 607 2HA GLY 77 HA2 GLY 77 -8.071 -14.793 -3.416 608 H THR 78 HN THR 78 -5.252 -12.659 -4.257 609 HA THR 78 HA THR 78 -6.947 -10.258 -4.314 610 HB THR 78 HB THR 78 -4.587 -9.287 -4.803 611 HG1 THR 78 HG1 THR 78 -3.482 -10.992 -5.545 612 1HG2 THR 78 HG21 THR 78 -3.784 -9.724 -2.474 613 2HG2 THR 78 HG22 THR 78 -5.094 -10.901 -2.299 614 3HG2 THR 78 HG23 THR 78 -5.476 -9.190 -2.567 615 H LYS 79 HN LYS 79 -6.271 -8.765 -6.247 616 HA LYS 79 HA LYS 79 -6.225 -10.061 -8.870 617 1HB LYS 79 HB2 LYS 79 -5.578 -7.292 -7.807 618 2HB LYS 79 HB3 LYS 79 -5.276 -7.720 -9.494 619 1HG LYS 79 HG2 LYS 79 -8.013 -8.220 -8.266 620 2HG LYS 79 HG3 LYS 79 -7.558 -6.601 -8.796 621 1HD LYS 79 HD2 LYS 79 -7.082 -7.383 -11.056 622 2HD LYS 79 HD3 LYS 79 -7.411 -9.068 -10.598 623 1HE LYS 79 HE2 LYS 79 -9.758 -8.559 -10.150 624 2HE LYS 79 HE3 LYS 79 -9.482 -6.828 -10.406 625 1HZ LYS 79 HZ1 LYS 79 -9.203 -8.908 -12.477 626 2HZ LYS 79 HZ2 LYS 79 -10.468 -7.872 -12.316 627 3HZ LYS 79 HZ3 LYS 79 -8.980 -7.290 -12.696 628 H MET 80 HN MET 80 -4.160 -9.785 -10.209 629 HA MET 80 HA MET 80 -2.709 -11.808 -9.022 630 1HB MET 80 HB3 MET 80 -3.351 -11.836 -11.258 631 2HB MET 80 HB2 MET 80 -2.356 -10.482 -11.704 632 1HG MET 80 HG2 MET 80 -0.351 -12.010 -10.871 633 2HG MET 80 HG3 MET 80 -1.551 -13.299 -10.861 634 1HE MET 80 HE1 MET 80 -2.473 -13.452 -14.712 635 2HE MET 80 HE2 MET 80 -2.887 -14.037 -13.083 636 3HE MET 80 HE3 MET 80 -3.275 -12.363 -13.562 637 H ILE 81 HN ILE 81 0.454 -9.274 -8.840 638 HA ILE 81 HA ILE 81 -0.424 -9.799 -11.480 639 HB ILE 81 HB ILE 81 -2.253 -8.217 -10.831 640 1HG1 ILE 81 HG12 ILE 81 -0.363 -7.033 -12.904 641 2HG1 ILE 81 HG13 ILE 81 -1.288 -8.518 -13.159 642 1HG2 ILE 81 HG21 ILE 81 -0.114 -6.057 -10.661 643 2HG2 ILE 81 HG22 ILE 81 -1.855 -5.889 -10.408 644 3HG2 ILE 81 HG23 ILE 81 -0.893 -6.800 -9.243 645 1HD1 ILE 81 HD11 ILE 81 -2.487 -5.775 -12.623 646 2HD1 ILE 81 HD12 ILE 81 -3.405 -7.294 -12.773 647 3HD1 ILE 81 HD13 ILE 81 -2.478 -6.671 -14.151 648 H PHE 82 HN PHE 82 1.286 -7.492 -9.413 649 HA PHE 82 HA PHE 82 3.739 -8.199 -10.942 650 1HB PHE 82 HB2 PHE 82 4.893 -6.519 -9.923 651 2HB PHE 82 HB3 PHE 82 3.372 -5.749 -10.314 652 HD1 PHE 82 HD1 PHE 82 5.826 -6.190 -7.818 653 HD2 PHE 82 HD2 PHE 82 1.567 -5.654 -8.324 654 HE1 PHE 82 HE1 PHE 82 5.661 -5.231 -5.564 655 HE2 PHE 82 HE2 PHE 82 1.406 -4.806 -6.004 656 HZ PHE 82 HZ PHE 82 3.449 -4.585 -4.617 657 H ALA 83 HN ALA 83 5.341 -9.364 -9.649 658 HA ALA 83 HA ALA 83 4.141 -11.447 -8.136 659 1HB ALA 83 HB1 ALA 83 7.078 -10.639 -8.341 660 2HB ALA 83 HB2 ALA 83 6.460 -12.187 -7.727 661 3HB ALA 83 HB3 ALA 83 6.209 -11.745 -9.427 662 H GLY 84 HN GLY 84 6.328 -8.806 -7.084 663 1HA GLY 84 HA1 GLY 84 5.048 -7.908 -4.841 664 2HA GLY 84 HA2 GLY 84 6.003 -9.295 -4.268 665 H ILE 85 HN ILE 85 6.671 -6.693 -3.434 666 HA ILE 85 HA ILE 85 8.949 -5.702 -5.037 667 HB ILE 85 HB ILE 85 8.136 -5.043 -2.212 668 1HG1 ILE 85 HG12 ILE 85 6.333 -4.329 -3.671 669 2HG1 ILE 85 HG13 ILE 85 7.181 -2.976 -2.949 670 1HG2 ILE 85 HG21 ILE 85 10.509 -4.535 -2.703 671 2HG2 ILE 85 HG22 ILE 85 10.054 -3.668 -4.163 672 3HG2 ILE 85 HG23 ILE 85 9.595 -3.027 -2.571 673 1HD1 ILE 85 HD11 ILE 85 8.339 -2.451 -5.014 674 2HD1 ILE 85 HD12 ILE 85 7.695 -3.909 -5.807 675 3HD1 ILE 85 HD13 ILE 85 6.608 -2.592 -5.337 676 H LYS 86 HN LYS 86 10.036 -7.672 -5.241 677 HA LYS 86 HA LYS 86 10.749 -9.439 -3.247 678 1HB LYS 86 HB2 LYS 86 11.038 -9.522 -5.820 679 2HB LYS 86 HB3 LYS 86 12.624 -8.781 -5.552 680 1HG LYS 86 HG2 LYS 86 13.245 -10.709 -4.095 681 2HG LYS 86 HG3 LYS 86 11.610 -11.373 -4.290 682 1HD LYS 86 HD2 LYS 86 11.978 -11.496 -6.768 683 2HD LYS 86 HD3 LYS 86 13.654 -10.960 -6.518 684 1HE LYS 86 HE2 LYS 86 14.070 -12.963 -5.083 685 2HE LYS 86 HE3 LYS 86 12.387 -13.473 -5.299 686 1HZ LYS 86 HZ1 LYS 86 13.848 -14.650 -6.759 687 2HZ LYS 86 HZ2 LYS 86 12.821 -13.726 -7.645 688 3HZ LYS 86 HZ3 LYS 86 14.390 -13.262 -7.450 689 H LYS 87 HN LYS 87 12.331 -6.373 -4.060 690 HA LYS 87 HA LYS 87 14.633 -6.800 -2.329 691 1HB LYS 87 HB2 LYS 87 13.561 -4.552 -4.007 692 2HB LYS 87 HB3 LYS 87 14.805 -4.216 -2.796 693 1HG LYS 87 HG2 LYS 87 16.395 -5.639 -3.776 694 2HG LYS 87 HG3 LYS 87 15.184 -6.496 -4.759 695 1HD LYS 87 HD2 LYS 87 14.770 -4.565 -6.111 696 2HD LYS 87 HD3 LYS 87 15.769 -3.527 -5.075 697 1HE LYS 87 HE2 LYS 87 17.797 -4.555 -5.778 698 2HE LYS 87 HE3 LYS 87 16.954 -5.906 -6.561 699 1HZ LYS 87 HZ1 LYS 87 16.671 -3.102 -7.413 700 2HZ LYS 87 HZ2 LYS 87 17.731 -4.169 -8.104 701 3HZ LYS 87 HZ3 LYS 87 16.107 -4.430 -8.186 702 H LYS 88 HN LYS 88 14.084 -7.146 -0.261 703 HA LYS 88 HA LYS 88 12.283 -5.927 1.406 704 1HB LYS 88 HB2 LYS 88 13.771 -7.756 2.009 705 2HB LYS 88 HB3 LYS 88 15.172 -6.668 2.014 706 1HG LYS 88 HG2 LYS 88 14.303 -5.443 3.922 707 2HG LYS 88 HG3 LYS 88 12.742 -6.271 3.820 708 1HD LYS 88 HD2 LYS 88 13.774 -8.416 4.369 709 2HD LYS 88 HD3 LYS 88 15.397 -7.686 4.336 710 1HE LYS 88 HE2 LYS 88 14.884 -6.260 6.241 711 2HE LYS 88 HE3 LYS 88 13.188 -6.755 6.230 712 1HZ LYS 88 HZ1 LYS 88 14.412 -7.864 7.922 713 2HZ LYS 88 HZ2 LYS 88 13.920 -8.979 6.818 714 3HZ LYS 88 HZ3 LYS 88 15.493 -8.478 6.847 715 H THR 89 HN THR 89 15.452 -4.532 0.398 716 HA THR 89 HA THR 89 15.310 -2.182 1.971 717 HB THR 89 HB THR 89 17.240 -1.819 1.028 718 HG1 THR 89 HG1 THR 89 16.150 -0.254 -0.276 719 1HG2 THR 89 HG21 THR 89 18.164 -2.992 -0.920 720 2HG2 THR 89 HG22 THR 89 16.578 -3.693 -1.268 721 3HG2 THR 89 HG23 THR 89 17.451 -4.122 0.235 722 H GLU 90 HN GLU 90 13.975 -2.797 -1.297 723 HA GLU 90 HA GLU 90 13.131 -0.129 -1.744 724 1HB GLU 90 HB2 GLU 90 12.230 -2.814 -2.912 725 2HB GLU 90 HB3 GLU 90 11.495 -1.290 -3.358 726 1HG GLU 90 HG2 GLU 90 13.676 -0.435 -4.157 727 2HG GLU 90 HG3 GLU 90 14.426 -1.979 -3.750 728 H ARG 91 HN ARG 91 11.592 -2.988 -0.298 729 HA ARG 91 HA ARG 91 9.061 -1.792 0.215 730 1HB ARG 91 HB2 ARG 91 10.618 -3.949 1.699 731 2HB ARG 91 HB3 ARG 91 8.931 -3.509 2.078 732 1HG ARG 91 HG2 ARG 91 8.441 -3.939 -0.384 733 2HG ARG 91 HG3 ARG 91 10.043 -4.712 -0.485 734 1HD ARG 91 HD2 ARG 91 7.718 -5.516 1.293 735 2HD ARG 91 HD3 ARG 91 8.256 -6.389 -0.130 736 HE ARG 91 HE ARG 91 9.532 -6.142 2.544 737 1HH1 ARG 91 HH22 ARG 91 9.864 -7.756 -0.657 738 2HH1 ARG 91 HH21 ARG 91 10.174 -9.309 0.163 739 1HH2 ARG 91 HH12 ARG 91 9.885 -8.277 3.402 740 2HH2 ARG 91 HH11 ARG 91 10.331 -9.533 2.251 741 H GLU 92 HN GLU 92 11.871 -2.086 2.525 742 HA GLU 92 HA GLU 92 10.620 -0.603 4.574 743 1HB GLU 92 HB2 GLU 92 13.573 -0.935 3.873 744 2HB GLU 92 HB3 GLU 92 12.948 -0.247 5.382 745 1HG GLU 92 HG2 GLU 92 11.711 -2.332 5.842 746 2HG GLU 92 HG3 GLU 92 12.365 -3.075 4.385 747 H ASP 93 HN ASP 93 12.741 0.514 1.947 748 HA ASP 93 HA ASP 93 12.947 3.258 2.551 749 1HB ASP 93 HB2 ASP 93 12.962 1.706 -0.083 750 2HB ASP 93 HB3 ASP 93 13.446 3.384 0.090 751 H LEU 94 HN LEU 94 10.715 1.608 0.334 752 HA LEU 94 HA LEU 94 9.021 3.759 -0.268 753 1HB LEU 94 HB2 LEU 94 9.078 1.501 -1.359 754 2HB LEU 94 HB3 LEU 94 8.324 0.831 0.071 755 HG LEU 94 HG LEU 94 6.367 2.367 -0.273 756 1HD1 LEU 94 HD11 LEU 94 7.278 4.151 -1.593 757 2HD1 LEU 94 HD12 LEU 94 7.820 3.024 -2.860 758 3HD1 LEU 94 HD13 LEU 94 6.093 3.274 -2.581 759 1HD2 LEU 94 HD21 LEU 94 5.575 1.102 -2.250 760 2HD2 LEU 94 HD22 LEU 94 7.226 0.579 -2.607 761 3HD2 LEU 94 HD23 LEU 94 6.436 0.013 -1.114 762 H ILE 95 HN ILE 95 8.595 1.343 2.349 763 HA ILE 95 HA ILE 95 6.199 2.426 3.373 764 HB ILE 95 HB ILE 95 8.400 0.740 4.580 765 1HG1 ILE 95 HG12 ILE 95 5.542 -0.041 3.837 766 2HG1 ILE 95 HG13 ILE 95 6.824 -0.041 2.634 767 1HG2 ILE 95 HG21 ILE 95 5.712 1.430 5.840 768 2HG2 ILE 95 HG22 ILE 95 6.813 0.156 6.387 769 3HG2 ILE 95 HG23 ILE 95 7.320 1.838 6.481 770 1HD1 ILE 95 HD11 ILE 95 8.173 -1.576 4.048 771 2HD1 ILE 95 HD12 ILE 95 6.797 -1.720 5.161 772 3HD1 ILE 95 HD13 ILE 95 6.645 -2.263 3.480 773 H ALA 96 HN ALA 96 9.603 3.133 4.280 774 HA ALA 96 HA ALA 96 9.066 4.997 6.335 775 1HB ALA 96 HB1 ALA 96 11.293 5.889 5.873 776 2HB ALA 96 HB2 ALA 96 11.312 4.114 5.826 777 3HB ALA 96 HB3 ALA 96 11.349 5.048 4.315 778 H TYR 97 HN TYR 97 9.365 5.530 2.762 779 HA TYR 97 HA TYR 97 8.732 8.304 2.881 780 1HB TYR 97 HB2 TYR 97 9.431 7.630 0.773 781 2HB TYR 97 HB3 TYR 97 8.444 6.226 0.749 782 HD1 TYR 97 HD1 TYR 97 7.501 9.825 1.401 783 HD2 TYR 97 HD2 TYR 97 6.681 6.301 -0.823 784 HE1 TYR 97 HE1 TYR 97 6.089 11.168 -0.115 785 HE2 TYR 97 HE2 TYR 97 4.877 7.555 -1.969 786 HH TYR 97 HH TYR 97 4.087 9.605 -2.596 787 H LEU 98 HN LEU 98 6.495 5.510 2.326 788 HA LEU 98 HA LEU 98 4.224 7.061 2.134 789 1HB LEU 98 HB2 LEU 98 4.245 4.368 3.558 790 2HB LEU 98 HB3 LEU 98 2.844 5.132 2.849 791 HG LEU 98 HG LEU 98 5.222 4.135 1.232 792 1HD1 LEU 98 HD11 LEU 98 4.061 2.293 2.431 793 2HD1 LEU 98 HD12 LEU 98 2.519 2.841 1.747 794 3HD1 LEU 98 HD13 LEU 98 3.800 2.220 0.683 795 1HD2 LEU 98 HD21 LEU 98 3.926 5.843 0.017 796 2HD2 LEU 98 HD22 LEU 98 3.627 4.206 -0.621 797 3HD2 LEU 98 HD23 LEU 98 2.420 4.978 0.426 798 H LYS 99 HN LYS 99 5.808 5.917 5.113 799 HA LYS 99 HA LYS 99 3.906 6.724 7.036 800 1HB LYS 99 HB2 LYS 99 6.712 5.925 7.021 801 2HB LYS 99 HB3 LYS 99 6.558 7.394 7.980 802 1HG LYS 99 HG2 LYS 99 4.623 6.237 9.205 803 2HG LYS 99 HG3 LYS 99 5.132 4.753 8.393 804 1HD LYS 99 HD2 LYS 99 7.347 4.876 9.318 805 2HD LYS 99 HD3 LYS 99 6.954 6.375 10.193 806 1HE LYS 99 HE2 LYS 99 5.376 5.254 11.625 807 2HE LYS 99 HE3 LYS 99 5.246 3.870 10.528 808 1HZ LYS 99 HZ1 LYS 99 7.576 4.402 12.246 809 2HZ LYS 99 HZ2 LYS 99 6.494 3.123 12.261 810 3HZ LYS 99 HZ3 LYS 99 7.471 3.238 11.049 811 H LYS 100 HN LYS 100 6.458 8.579 5.414 812 HA LYS 100 HA LYS 100 5.739 11.063 6.670 813 1HB LYS 100 HB2 LYS 100 7.721 10.099 4.745 814 2HB LYS 100 HB3 LYS 100 6.947 11.544 4.099 815 1HG LYS 100 HG2 LYS 100 8.032 11.349 6.932 816 2HG LYS 100 HG3 LYS 100 9.005 11.905 5.558 817 1HD LYS 100 HD2 LYS 100 7.454 13.713 5.054 818 2HD LYS 100 HD3 LYS 100 6.295 13.149 6.256 819 1HE LYS 100 HE2 LYS 100 7.879 13.657 8.073 820 2HE LYS 100 HE3 LYS 100 9.035 14.293 6.892 821 1HZ LYS 100 HZ1 LYS 100 7.515 15.982 6.308 822 2HZ LYS 100 HZ2 LYS 100 7.479 15.959 7.950 823 3HZ LYS 100 HZ3 LYS 100 6.236 15.310 7.038 824 H ALA 101 HN ALA 101 5.123 9.787 3.356 825 HA ALA 101 HA ALA 101 3.799 11.935 2.345 826 1HB ALA 101 HB1 ALA 101 2.810 9.198 1.556 827 2HB ALA 101 HB2 ALA 101 3.340 10.587 0.570 828 3HB ALA 101 HB3 ALA 101 4.526 9.544 1.375 829 H THR 102 HN THR 102 2.301 9.191 4.079 830 HA THR 102 HA THR 102 -0.369 10.141 3.568 831 HB THR 102 HB THR 102 -1.043 8.343 5.148 832 HG1 THR 102 HG1 THR 102 1.733 7.778 5.313 833 1HG2 THR 102 HG21 THR 102 -0.241 6.467 3.748 834 2HG2 THR 102 HG22 THR 102 -0.725 7.854 2.754 835 3HG2 THR 102 HG23 THR 102 0.996 7.506 3.025 836 H ASN 103 HN ASN 103 2.007 11.098 5.925 837 HA ASN 103 HA ASN 103 0.002 12.292 7.760 838 1HB ASN 103 HB2 ASN 103 2.996 11.738 7.846 839 2HB ASN 103 HB3 ASN 103 2.251 12.953 8.858 840 1HD2 ASN 103 HD21 ASN 103 2.522 9.490 8.273 841 2HD2 ASN 103 HD22 ASN 103 1.672 9.003 9.740 842 H GLU 104 HN GLU 104 2.547 13.004 5.433 843 HA GLU 104 HA GLU 104 3.155 14.686 4.211 844 1HB GLU 104 HB2 GLU 104 0.635 15.106 4.240 845 2HB GLU 104 HB3 GLU 104 0.978 16.402 5.376 846 1HG GLU 104 HG2 GLU 104 2.347 17.509 3.604 847 2HG GLU 104 HG3 GLU 104 2.087 16.117 2.530 848 HHA HEC 110 HGM HIS 18 -5.864 -2.376 -1.589 849 HHB HEC 110 HDM HIS 18 -0.012 -0.220 -0.295 850 HHC HEC 110 HAM HIS 18 1.356 -0.470 -6.544 851 HHD HEC 110 HBM HIS 18 -4.727 -1.640 -7.811 852 1HMA HEC 110 HM81 HIS 18 -1.102 -1.876 1.637 853 2HMA HEC 110 HM83 HIS 18 -2.613 -1.241 2.306 854 3HMA HEC 110 HM82 HIS 18 -1.417 -0.117 1.647 855 1HAA HEC 110 HP71 HIS 18 -5.422 -2.935 0.395 856 2HAA HEC 110 HP72 HIS 18 -4.159 -2.834 1.581 857 1HBA HEC 110 HP74 HIS 18 -4.899 -0.639 2.317 858 2HBA HEC 110 HP73 HIS 18 -6.233 -1.807 2.291 859 1HMB HEC 110 HM11 HIS 18 1.887 1.481 -0.972 860 2HMB HEC 110 HM13 HIS 18 3.320 0.848 -1.795 861 3HMB HEC 110 HM12 HIS 18 2.430 -0.185 -0.660 862 HAB HEC 110 HT2A HIS 18 3.018 0.081 -5.572 863 1HBB HEC 110 HT23 HIS 18 3.768 -1.840 -4.386 864 2HBB HEC 110 HT22 HIS 18 4.472 -0.797 -3.127 865 3HBB HEC 110 HT21 HIS 18 5.057 -0.705 -4.814 866 1HMC HEC 110 HM31 HIS 18 1.295 -1.265 -8.569 867 2HMC HEC 110 HM33 HIS 18 0.463 0.104 -9.348 868 3HMC HEC 110 HM32 HIS 18 0.131 -1.572 -9.839 869 HAC HEC 110 HT4A HIS 18 -3.835 -0.341 -9.342 870 1HBC HEC 110 HT41 HIS 18 -1.406 -0.673 -11.138 871 2HBC HEC 110 HT43 HIS 18 -3.101 -0.496 -11.584 872 3HBC HEC 110 HT42 HIS 18 -2.544 -2.014 -10.852 873 1HMD HEC 110 HM51 HIS 18 -7.948 -3.037 -6.395 874 2HMD HEC 110 HM53 HIS 18 -6.588 -3.083 -7.510 875 3HMD HEC 110 HM52 HIS 18 -7.387 -1.533 -7.123 876 1HAD HEC 110 HP61 HIS 18 -7.797 -2.405 -2.703 877 2HAD HEC 110 HP62 HIS 18 -8.471 -2.712 -4.280 878 1HBD HEC 110 HP64 HIS 18 -8.539 -4.630 -2.648 879 2HBD HEC 110 HP63 HIS 18 -6.783 -4.745 -2.774
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