NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599096 | 2n8h | 26674 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -15.396 5.841 -2.232 2 H2 GLY 1 2HT GLY 1 -15.698 6.411 -3.796 3 H3 GLY 1 3HT GLY 1 -15.091 7.460 -2.618 4 HA2 GLY 1 1HA GLY 1 -13.667 5.118 -3.759 5 HA3 GLY 1 2HA GLY 1 -13.349 6.800 -4.158 6 H TRP 2 H TRP 2 -12.759 4.231 -1.981 7 HA TRP 2 HA TRP 2 -11.422 5.953 -0.028 8 HB2 TRP 2 2HB TRP 2 -12.012 2.982 -0.001 9 HB3 TRP 2 1HB TRP 2 -11.140 3.828 1.272 10 HD1 TRP 2 HD TRP 2 -12.553 5.443 2.873 11 HE1 TRP 2 1HE TRP 2 -15.068 5.573 3.396 12 HE3 TRP 2 3HE TRP 2 -14.357 2.687 -1.050 13 HZ2 TRP 2 2HZ TRP 2 -17.491 4.639 2.300 14 HZ3 TRP 2 3HZ TRP 2 -16.787 2.356 -1.234 15 HH2 TRP 2 HH TRP 2 -18.320 3.312 0.408 16 H CYS 3 H CYS 3 -9.246 5.488 0.667 17 HA CYS 3 HA CYS 3 -7.582 4.150 -1.362 18 HB2 CYS 3 2HB CYS 3 -7.391 6.591 -1.608 19 HB3 CYS 3 1HB CYS 3 -6.940 6.733 0.085 20 H GLY 4 H GLY 4 -5.574 3.281 -0.593 21 HA2 GLY 4 2HA GLY 4 -5.794 2.218 2.107 22 HA3 GLY 4 1HA GLY 4 -4.650 1.714 0.873 23 H ASP 5 H ASP 5 -4.701 2.862 3.819 24 HA ASP 5 HA ASP 5 -2.774 5.029 3.584 25 HB2 ASP 5 2HB ASP 5 -4.208 3.742 5.902 26 HB3 ASP 5 1HB ASP 5 -2.905 4.896 6.152 27 HA HYP 6 HA HYP 6 1.015 2.719 4.052 28 HB2 HYP 6 2HB HYP 6 2.221 4.127 6.159 29 HB3 HYP 6 1HB HYP 6 2.355 4.525 4.435 30 HG HYP 6 2HG HYP 6 0.611 5.737 6.523 31 HD22 HYP 6 1HD HYP 6 -0.233 5.802 3.639 32 HD23 HYP 6 2HD HYP 6 -1.222 5.955 5.105 33 HD1 HYP 6 1HG HYP 6 2.193 7.038 5.583 34 H GLY 7 H GLY 7 1.469 0.858 5.007 35 HA2 GLY 7 2HA GLY 7 2.022 -0.371 7.045 36 HA3 GLY 7 1HA GLY 7 0.682 0.454 7.826 37 H ALA 8 H ALA 8 -0.420 -0.206 4.828 38 HA ALA 8 HA ALA 8 -1.837 -2.605 5.718 39 HB1 ALA 8 1HB ALA 8 -2.352 -0.815 3.341 40 HB2 ALA 8 2HB ALA 8 -3.170 -0.719 4.900 41 HB3 ALA 8 3HB ALA 8 -3.378 -2.144 3.882 42 H THR 9 H THR 9 -2.057 -4.454 4.359 43 HA THR 9 HA THR 9 0.364 -5.118 2.944 44 HB THR 9 HB THR 9 -0.529 -6.818 4.388 45 HG1 THR 9 1HG THR 9 -0.757 -8.543 2.802 46 HG21 THR 9 3HG2 THR 9 -2.678 -7.961 3.918 47 HG22 THR 9 1HG2 THR 9 -3.032 -6.737 2.698 48 HG23 THR 9 2HG2 THR 9 -2.890 -6.277 4.394 49 H CYS 10 H CYS 10 0.718 -4.920 0.849 50 HA CYS 10 HA CYS 10 -1.579 -4.597 -0.970 51 HB2 CYS 10 2HB CYS 10 -0.080 -2.627 -0.782 52 HB3 CYS 10 1HB CYS 10 1.262 -3.619 -1.339 53 H GLY 11 H GLY 11 -1.840 -5.954 -2.639 54 HA2 GLY 11 2HA GLY 11 -0.368 -7.226 -4.361 55 HA3 GLY 11 1HA GLY 11 0.112 -8.132 -2.935 56 H LYS 12 H LYS 12 -1.748 -9.068 -1.654 57 HA LYS 12 HA LYS 12 -3.583 -10.377 -3.523 58 HB2 LYS 12 2HB LYS 12 -2.659 -11.067 -0.740 59 HB3 LYS 12 1HB LYS 12 -3.993 -11.905 -1.517 60 HG2 LYS 12 2HG LYS 12 -2.512 -12.617 -3.318 61 HG3 LYS 12 1HG LYS 12 -1.170 -11.758 -2.559 62 HD2 LYS 12 2HD LYS 12 -1.380 -13.191 -0.580 63 HD3 LYS 12 1HD LYS 12 -2.715 -14.053 -1.350 64 HE2 LYS 12 2HE LYS 12 -1.216 -14.766 -3.146 65 HE3 LYS 12 1HE LYS 12 0.116 -13.897 -2.385 66 HZ1 LYS 12 3HZ LYS 12 -1.367 -16.177 -1.190 67 HZ2 LYS 12 1HZ LYS 12 -0.085 -15.346 -0.462 68 HZ3 LYS 12 2HZ LYS 12 0.182 -16.254 -1.864 69 H LEU 13 H LEU 13 -3.595 -7.944 -1.145 70 HA LEU 13 HA LEU 13 -6.420 -8.274 -0.478 71 HB2 LEU 13 2HB LEU 13 -4.506 -7.630 1.158 72 HB3 LEU 13 1HB LEU 13 -4.663 -6.028 0.468 73 HG LEU 13 HG LEU 13 -7.215 -6.378 1.112 74 HD11 LEU 13 1HD1 LEU 13 -6.953 -8.666 1.902 75 HD12 LEU 13 2HD1 LEU 13 -7.440 -7.597 3.218 76 HD13 LEU 13 3HD1 LEU 13 -5.764 -8.129 3.091 77 HD21 LEU 13 3HD2 LEU 13 -5.059 -5.660 3.093 78 HD22 LEU 13 1HD2 LEU 13 -6.765 -5.232 3.223 79 HD23 LEU 13 2HD2 LEU 13 -5.788 -4.574 1.910 80 H ARG 14 H ARG 14 -7.817 -6.299 -0.537 81 HA ARG 14 HA ARG 14 -7.797 -5.157 -3.178 82 HB2 ARG 14 2HB ARG 14 -9.677 -4.958 -0.828 83 HB3 ARG 14 1HB ARG 14 -9.915 -4.007 -2.286 84 HG2 ARG 14 2HG ARG 14 -10.054 -6.069 -3.603 85 HG3 ARG 14 1HG ARG 14 -9.838 -7.014 -2.127 86 HD2 ARG 14 2HD ARG 14 -11.892 -6.059 -1.212 87 HD3 ARG 14 1HD ARG 14 -12.104 -5.099 -2.676 88 HE ARG 14 HE ARG 14 -11.895 -7.832 -3.345 89 HH11 ARG 14 1HH1 ARG 14 -14.171 -5.589 -1.887 90 HH12 ARG 14 2HH1 ARG 14 -15.558 -6.511 -2.361 91 HH21 ARG 14 1HH2 ARG 14 -13.726 -9.020 -3.957 92 HH22 ARG 14 2HH2 ARG 14 -15.305 -8.450 -3.532 93 H LEU 15 H LEU 15 -8.705 -2.665 -3.089 94 HA LEU 15 HA LEU 15 -8.235 -0.465 -2.865 95 HB2 LEU 15 2HB LEU 15 -7.266 -1.473 -0.243 96 HB3 LEU 15 1HB LEU 15 -6.720 0.117 -0.737 97 HG LEU 15 HG LEU 15 -9.648 -0.549 -0.754 98 HD11 LEU 15 1HD1 LEU 15 -8.932 -1.152 1.462 99 HD12 LEU 15 2HD1 LEU 15 -9.769 0.401 1.530 100 HD13 LEU 15 3HD1 LEU 15 -8.007 0.343 1.610 101 HD21 LEU 15 3HD2 LEU 15 -8.958 1.513 -1.842 102 HD22 LEU 15 1HD2 LEU 15 -8.086 2.008 -0.390 103 HD23 LEU 15 2HD2 LEU 15 -9.844 1.870 -0.360 104 H TYR 16 H TYR 16 -6.724 1.015 -3.499 105 HA TYR 16 HA TYR 16 -4.109 -0.100 -4.262 106 HB2 TYR 16 2HB TYR 16 -5.800 2.071 -5.513 107 HB3 TYR 16 1HB TYR 16 -4.125 1.782 -5.970 108 HD1 TYR 16 2HD TYR 16 -3.504 -0.206 -7.229 109 HD2 TYR 16 1HD TYR 16 -7.551 0.502 -6.124 110 HE1 TYR 16 2HE TYR 16 -4.235 -1.921 -8.832 111 HE2 TYR 16 1HE TYR 16 -8.293 -1.213 -7.724 112 HH TYR 16 HH TYR 16 -6.163 -3.406 -9.188 113 H CYS 17 H CYS 17 -2.361 1.626 -4.491 114 HA CYS 17 HA CYS 17 -2.096 3.002 -1.965 115 HB2 CYS 17 2HB CYS 17 -0.334 1.870 -3.874 116 HB3 CYS 17 1HB CYS 17 0.063 3.579 -3.755 117 H CYS 18 H CYS 18 -2.059 5.158 -1.592 118 HA CYS 18 HA CYS 18 -3.405 6.922 -3.340 119 HB2 CYS 18 2HB CYS 18 -2.043 7.140 -0.714 120 HB3 CYS 18 1HB CYS 18 -2.267 8.635 -1.614 121 H SER 19 H SER 19 0.017 6.367 -2.727 122 HA SER 19 HA SER 19 0.811 8.574 -4.467 123 HB2 SER 19 2HB SER 19 2.484 6.618 -2.870 124 HB3 SER 19 1HB SER 19 3.113 7.991 -3.780 125 HG SER 19 HG SER 19 2.388 9.332 -2.293 126 H GLY 20 H GLY 20 0.554 5.099 -4.477 127 HA2 GLY 20 2HA GLY 20 0.363 3.820 -6.460 128 HA3 GLY 20 1HA GLY 20 1.253 5.065 -7.322 129 H PHE 21 H PHE 21 2.201 3.511 -4.276 130 HA PHE 21 HA PHE 21 4.276 1.997 -5.671 131 HB2 PHE 21 2HB PHE 21 5.479 3.990 -5.129 132 HB3 PHE 21 1HB PHE 21 4.802 4.048 -3.510 133 HD1 PHE 21 2HD PHE 21 6.818 1.657 -5.597 134 HD2 PHE 21 1HD PHE 21 6.225 3.498 -1.800 135 HE1 PHE 21 2HE PHE 21 8.782 0.466 -4.709 136 HE2 PHE 21 1HE PHE 21 8.187 2.309 -0.918 137 HZ PHE 21 HZ PHE 21 9.464 0.797 -2.368 138 H CYS 22 H CYS 22 4.037 -0.013 -5.099 139 HA CYS 22 HA CYS 22 3.334 -0.668 -2.316 140 HB2 CYS 22 2HB CYS 22 2.612 -2.002 -4.913 141 HB3 CYS 22 1HB CYS 22 2.618 -2.918 -3.409 142 H ASP 23 H ASP 23 4.925 -1.540 -1.176 143 HA ASP 23 HA ASP 23 7.360 -2.426 -2.443 144 HB2 ASP 23 2HB ASP 23 6.636 -1.415 0.101 145 HB3 ASP 23 1HB ASP 23 7.316 -3.020 0.366 146 H SER 24 H SER 24 7.801 -4.407 -3.067 147 HA SER 24 HA SER 24 6.055 -6.619 -2.362 148 HB2 SER 24 2HB SER 24 6.773 -6.179 -4.721 149 HB3 SER 24 1HB SER 24 8.417 -6.610 -4.252 150 HG SER 24 HG SER 24 7.301 -8.390 -5.145 151 H TYR 25 H TYR 25 8.897 -5.333 -1.126 152 HA TYR 25 HA TYR 25 10.263 -7.761 -0.420 153 HB2 TYR 25 2HB TYR 25 11.174 -5.303 -0.655 154 HB3 TYR 25 1HB TYR 25 10.697 -5.175 1.033 155 HD1 TYR 25 2HD TYR 25 13.015 -6.746 -1.329 156 HD2 TYR 25 1HD TYR 25 11.875 -6.418 2.757 157 HE1 TYR 25 2HE TYR 25 15.134 -7.799 -0.660 158 HE2 TYR 25 1HE TYR 25 13.992 -7.469 3.437 159 HH TYR 25 HH TYR 25 16.600 -7.897 1.309 160 H THR 26 H THR 26 7.649 -5.972 0.884 161 HA THR 26 HA THR 26 7.537 -7.749 3.215 162 HB THR 26 HB THR 26 6.678 -5.795 4.585 163 HG1 THR 26 1HG THR 26 7.443 -3.716 3.812 164 HG21 THR 26 3HG2 THR 26 9.555 -5.686 3.666 165 HG22 THR 26 1HG2 THR 26 8.911 -6.721 4.942 166 HG23 THR 26 2HG2 THR 26 8.922 -4.970 5.149 167 H LYS 27 H LYS 27 6.072 -6.602 0.500 168 HA LYS 27 HA LYS 27 3.994 -6.605 -0.398 169 HB2 LYS 27 2HB LYS 27 3.561 -8.608 1.822 170 HB3 LYS 27 1HB LYS 27 2.318 -8.231 0.639 171 HG2 LYS 27 2HG LYS 27 3.802 -8.967 -1.158 172 HG3 LYS 27 1HG LYS 27 5.051 -9.345 0.030 173 HD2 LYS 27 2HD LYS 27 3.562 -10.988 1.069 174 HD3 LYS 27 1HD LYS 27 2.313 -10.608 -0.117 175 HE2 LYS 27 2HE LYS 27 3.799 -11.356 -1.914 176 HE3 LYS 27 1HE LYS 27 5.043 -11.739 -0.725 177 HZ1 LYS 27 3HZ LYS 27 3.556 -13.373 0.252 178 HZ2 LYS 27 1HZ LYS 27 3.813 -13.708 -1.386 179 HZ3 LYS 27 2HZ LYS 27 2.359 -13.003 -0.885 180 H THR 28 H THR 28 4.373 -4.358 0.868 181 HA THR 28 HA THR 28 1.760 -3.736 2.055 182 HB THR 28 HB THR 28 2.943 -2.169 3.680 183 HG1 THR 28 1HG THR 28 5.060 -2.845 2.424 184 HG21 THR 28 3HG2 THR 28 3.258 -5.152 4.030 185 HG22 THR 28 1HG2 THR 28 1.855 -4.180 4.474 186 HG23 THR 28 2HG2 THR 28 3.382 -3.966 5.329 187 H CYS 29 H CYS 29 1.289 -1.408 2.094 188 HA CYS 29 HA CYS 29 2.163 -0.143 -0.365 189 HB2 CYS 29 2HB CYS 29 -0.192 -0.108 1.240 190 HB3 CYS 29 1HB CYS 29 0.414 1.541 1.135 191 H LYS 30 H LYS 30 3.653 1.397 -0.517 192 HA LYS 30 HA LYS 30 4.361 2.967 1.871 193 HB2 LYS 30 2HB LYS 30 6.264 1.548 0.005 194 HB3 LYS 30 1HB LYS 30 6.773 2.823 1.102 195 HG2 LYS 30 2HG LYS 30 5.779 1.372 2.959 196 HG3 LYS 30 1HG LYS 30 5.753 0.082 1.754 197 HD2 LYS 30 2HD LYS 30 8.160 0.346 1.416 198 HD3 LYS 30 1HD LYS 30 8.190 1.643 2.612 199 HE2 LYS 30 2HE LYS 30 7.429 0.074 4.329 200 HE3 LYS 30 1HE LYS 30 7.396 -1.221 3.132 201 HZ1 LYS 30 3HZ LYS 30 9.413 -1.294 4.451 202 HZ2 LYS 30 1HZ LYS 30 9.810 0.284 3.986 203 HZ3 LYS 30 2HZ LYS 30 9.781 -0.955 2.835 204 H ASP 31 H ASP 31 5.457 4.987 1.413 205 HA ASP 31 HA ASP 31 4.454 6.241 -1.015 206 HB2 ASP 31 2HB ASP 31 5.745 7.347 1.483 207 HB3 ASP 31 1HB ASP 31 5.339 8.349 0.093 208 H LYS 32 H LYS 32 5.707 7.201 -2.587 209 HA LYS 32 HA LYS 32 8.468 6.262 -2.747 210 HB2 LYS 32 2HB LYS 32 6.360 6.795 -4.642 211 HB3 LYS 32 1HB LYS 32 7.814 7.675 -5.088 212 HG2 LYS 32 2HG LYS 32 9.094 5.594 -5.029 213 HG3 LYS 32 1HG LYS 32 7.631 4.711 -4.584 214 HD2 LYS 32 2HD LYS 32 6.586 5.345 -6.690 215 HD3 LYS 32 1HD LYS 32 8.008 6.293 -7.129 216 HE2 LYS 32 2HE LYS 32 8.127 3.341 -6.555 217 HE3 LYS 32 1HE LYS 32 7.819 3.986 -8.166 218 HZ1 LYS 32 3HZ LYS 32 10.234 4.522 -6.521 219 HZ2 LYS 32 1HZ LYS 32 9.940 5.144 -8.067 220 HZ3 LYS 32 2HZ LYS 32 10.158 3.481 -7.852 221 H SER 33 H SER 33 10.231 7.600 -3.110 222 HA SER 33 HA SER 33 9.872 10.375 -2.233 223 HB2 SER 33 2HB SER 33 12.358 10.302 -1.864 224 HB3 SER 33 1HB SER 33 11.450 9.146 -0.892 225 HG SER 33 HG SER 33 12.123 8.027 -3.235 226 H SER 34 H SER 34 10.668 12.114 -3.371 227 HA SER 34 HA SER 34 11.199 11.619 -6.213 228 HB2 SER 34 2HB SER 34 10.654 14.058 -6.472 229 HB3 SER 34 1HB SER 34 9.326 13.086 -5.840 230 HG SER 34 HG SER 34 11.113 14.478 -4.148 231 H ALA 35 H ALA 35 13.046 12.211 -7.193 232 HA ALA 35 HA ALA 35 15.204 13.235 -5.492 233 HB1 ALA 35 1HB ALA 35 15.601 11.091 -6.608 234 HB2 ALA 35 2HB ALA 35 16.733 12.327 -7.159 235 HB3 ALA 35 3HB ALA 35 15.367 11.864 -8.176 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -15.589 3.685 -4.110 2 H2 GLY 1 2HT GLY 1 -15.502 4.846 -2.883 3 H3 GLY 1 3HT GLY 1 -15.086 3.239 -2.557 4 HA2 GLY 1 1HA GLY 1 -13.201 3.388 -4.062 5 HA3 GLY 1 2HA GLY 1 -13.631 5.057 -4.399 6 H TRP 2 H TRP 2 -12.243 2.847 -2.108 7 HA TRP 2 HA TRP 2 -11.637 4.997 -0.215 8 HB2 TRP 2 2HB TRP 2 -11.239 2.000 -0.030 9 HB3 TRP 2 1HB TRP 2 -10.758 3.140 1.219 10 HD1 TRP 2 HD TRP 2 -13.839 1.486 -0.300 11 HE1 TRP 2 1HE TRP 2 -15.852 1.881 1.252 12 HE3 TRP 2 3HE TRP 2 -11.718 4.802 2.980 13 HZ2 TRP 2 2HZ TRP 2 -16.465 3.390 3.553 14 HZ3 TRP 2 3HZ TRP 2 -13.093 5.670 4.826 15 HH2 TRP 2 HH TRP 2 -15.417 4.979 5.105 16 H CYS 3 H CYS 3 -9.468 5.296 0.583 17 HA CYS 3 HA CYS 3 -7.427 4.762 -1.469 18 HB2 CYS 3 2HB CYS 3 -8.056 7.169 -0.799 19 HB3 CYS 3 1HB CYS 3 -7.203 6.837 0.703 20 H GLY 4 H GLY 4 -5.378 4.015 -0.862 21 HA2 GLY 4 2HA GLY 4 -5.378 2.455 1.608 22 HA3 GLY 4 1HA GLY 4 -4.260 2.276 0.267 23 H ASP 5 H ASP 5 -4.492 3.167 3.391 24 HA ASP 5 HA ASP 5 -2.570 5.358 3.346 25 HB2 ASP 5 2HB ASP 5 -4.143 4.001 5.532 26 HB3 ASP 5 1HB ASP 5 -2.861 5.150 5.894 27 HA HYP 6 HA HYP 6 1.162 2.995 3.968 28 HB2 HYP 6 2HB HYP 6 2.296 4.360 6.133 29 HB3 HYP 6 1HB HYP 6 2.489 4.795 4.424 30 HG HYP 6 2HG HYP 6 0.677 5.966 6.477 31 HD22 HYP 6 1HD HYP 6 -0.055 6.117 3.567 32 HD23 HYP 6 2HD HYP 6 -1.101 6.227 4.998 33 HD1 HYP 6 1HG HYP 6 2.463 7.122 5.466 34 H GLY 7 H GLY 7 1.459 1.088 4.880 35 HA2 GLY 7 2HA GLY 7 1.934 -0.199 6.900 36 HA3 GLY 7 1HA GLY 7 0.632 0.680 7.687 37 H ALA 8 H ALA 8 -0.215 -0.075 4.528 38 HA ALA 8 HA ALA 8 -1.913 -2.286 5.437 39 HB1 ALA 8 1HB ALA 8 -2.110 -0.599 2.942 40 HB2 ALA 8 2HB ALA 8 -3.042 -0.366 4.420 41 HB3 ALA 8 3HB ALA 8 -3.266 -1.827 3.458 42 H THR 9 H THR 9 -2.159 -4.184 4.162 43 HA THR 9 HA THR 9 0.313 -5.063 2.920 44 HB THR 9 HB THR 9 -2.105 -6.825 3.013 45 HG1 THR 9 1HG THR 9 -1.174 -7.272 5.293 46 HG21 THR 9 3HG2 THR 9 0.821 -7.288 3.621 47 HG22 THR 9 1HG2 THR 9 0.003 -7.688 2.110 48 HG23 THR 9 2HG2 THR 9 -0.434 -8.527 3.598 49 H CYS 10 H CYS 10 0.693 -5.012 0.813 50 HA CYS 10 HA CYS 10 -1.565 -4.694 -1.051 51 HB2 CYS 10 2HB CYS 10 0.085 -2.847 -1.021 52 HB3 CYS 10 1HB CYS 10 1.352 -3.988 -1.456 53 H GLY 11 H GLY 11 -1.998 -6.232 -2.494 54 HA2 GLY 11 2HA GLY 11 -0.676 -7.742 -4.149 55 HA3 GLY 11 1HA GLY 11 -0.177 -8.532 -2.663 56 H LYS 12 H LYS 12 -2.379 -8.727 -1.175 57 HA LYS 12 HA LYS 12 -4.071 -10.520 -2.755 58 HB2 LYS 12 2HB LYS 12 -3.563 -10.253 0.201 59 HB3 LYS 12 1HB LYS 12 -4.881 -11.230 -0.431 60 HG2 LYS 12 2HG LYS 12 -3.269 -12.588 -1.679 61 HG3 LYS 12 1HG LYS 12 -1.952 -11.614 -1.025 62 HD2 LYS 12 2HD LYS 12 -2.566 -12.304 1.241 63 HD3 LYS 12 1HD LYS 12 -3.892 -13.270 0.589 64 HE2 LYS 12 2HE LYS 12 -2.280 -14.641 -0.643 65 HE3 LYS 12 1HE LYS 12 -0.959 -13.677 0.013 66 HZ1 LYS 12 3HZ LYS 12 -1.584 -14.402 2.233 67 HZ2 LYS 12 1HZ LYS 12 -1.247 -15.731 1.244 68 HZ3 LYS 12 2HZ LYS 12 -2.850 -15.328 1.602 69 H LEU 13 H LEU 13 -4.193 -7.455 -1.193 70 HA LEU 13 HA LEU 13 -7.104 -7.435 -1.008 71 HB2 LEU 13 2HB LEU 13 -4.990 -5.434 -0.224 72 HB3 LEU 13 1HB LEU 13 -6.706 -5.089 -0.130 73 HG LEU 13 HG LEU 13 -6.734 -7.291 1.335 74 HD11 LEU 13 1HD1 LEU 13 -4.711 -7.454 2.722 75 HD12 LEU 13 2HD1 LEU 13 -3.910 -6.289 1.668 76 HD13 LEU 13 3HD1 LEU 13 -4.399 -7.860 1.034 77 HD21 LEU 13 3HD2 LEU 13 -6.473 -5.886 3.327 78 HD22 LEU 13 1HD2 LEU 13 -7.452 -5.100 2.090 79 HD23 LEU 13 2HD2 LEU 13 -5.775 -4.612 2.328 80 H ARG 14 H ARG 14 -8.388 -5.775 -1.994 81 HA ARG 14 HA ARG 14 -7.540 -5.190 -4.714 82 HB2 ARG 14 2HB ARG 14 -10.180 -4.982 -3.274 83 HB3 ARG 14 1HB ARG 14 -9.951 -4.348 -4.897 84 HG2 ARG 14 2HG ARG 14 -9.387 -6.565 -5.711 85 HG3 ARG 14 1HG ARG 14 -9.532 -7.218 -4.080 86 HD2 ARG 14 2HD ARG 14 -11.561 -7.746 -5.156 87 HD3 ARG 14 1HD ARG 14 -11.923 -6.377 -4.106 88 HE ARG 14 HE ARG 14 -11.259 -5.375 -6.627 89 HH11 ARG 14 1HH1 ARG 14 -13.831 -7.279 -5.178 90 HH12 ARG 14 2HH1 ARG 14 -15.022 -6.747 -6.316 91 HH21 ARG 14 1HH2 ARG 14 -12.836 -4.693 -8.107 92 HH22 ARG 14 2HH2 ARG 14 -14.458 -5.285 -7.973 93 H LEU 15 H LEU 15 -7.265 -3.619 -1.816 94 HA LEU 15 HA LEU 15 -7.783 -0.929 -2.799 95 HB2 LEU 15 2HB LEU 15 -8.449 -1.554 -0.511 96 HB3 LEU 15 1HB LEU 15 -6.784 -1.903 -0.114 97 HG LEU 15 HG LEU 15 -6.247 0.519 -0.437 98 HD11 LEU 15 1HD1 LEU 15 -9.241 0.809 -0.671 99 HD12 LEU 15 2HD1 LEU 15 -8.047 1.182 -1.916 100 HD13 LEU 15 3HD1 LEU 15 -8.100 2.134 -0.433 101 HD21 LEU 15 3HD2 LEU 15 -6.611 -0.333 1.779 102 HD22 LEU 15 1HD2 LEU 15 -8.359 -0.187 1.590 103 HD23 LEU 15 2HD2 LEU 15 -7.354 1.261 1.649 104 H TYR 16 H TYR 16 -6.297 0.412 -3.564 105 HA TYR 16 HA TYR 16 -3.519 -0.487 -3.710 106 HB2 TYR 16 2HB TYR 16 -5.144 0.492 -5.639 107 HB3 TYR 16 1HB TYR 16 -4.359 1.981 -5.120 108 HD1 TYR 16 2HD TYR 16 -1.966 2.312 -5.467 109 HD2 TYR 16 1HD TYR 16 -3.889 -1.263 -6.740 110 HE1 TYR 16 2HE TYR 16 -0.009 1.757 -6.850 111 HE2 TYR 16 1HE TYR 16 -1.938 -1.827 -8.125 112 HH TYR 16 HH TYR 16 1.042 -0.235 -7.840 113 H CYS 17 H CYS 17 -1.849 1.353 -3.680 114 HA CYS 17 HA CYS 17 -1.986 2.647 -1.113 115 HB2 CYS 17 2HB CYS 17 0.184 2.933 -3.191 116 HB3 CYS 17 1HB CYS 17 0.314 3.210 -1.458 117 H CYS 18 H CYS 18 -2.153 4.783 -0.644 118 HA CYS 18 HA CYS 18 -3.551 6.524 -2.317 119 HB2 CYS 18 2HB CYS 18 -1.972 6.925 0.203 120 HB3 CYS 18 1HB CYS 18 -2.687 8.299 -0.632 121 H SER 19 H SER 19 -0.098 6.063 -1.961 122 HA SER 19 HA SER 19 0.539 8.430 -3.539 123 HB2 SER 19 2HB SER 19 2.915 7.721 -3.131 124 HB3 SER 19 1HB SER 19 1.991 8.028 -1.661 125 HG SER 19 HG SER 19 2.470 6.073 -1.102 126 H GLY 20 H GLY 20 0.302 4.969 -3.886 127 HA2 GLY 20 2HA GLY 20 -0.044 3.910 -5.976 128 HA3 GLY 20 1HA GLY 20 0.786 5.241 -6.763 129 H PHE 21 H PHE 21 1.969 3.423 -3.965 130 HA PHE 21 HA PHE 21 3.907 2.017 -5.641 131 HB2 PHE 21 2HB PHE 21 5.175 3.961 -5.090 132 HB3 PHE 21 1HB PHE 21 4.629 3.940 -3.422 133 HD1 PHE 21 2HD PHE 21 6.418 1.586 -5.748 134 HD2 PHE 21 1HD PHE 21 6.228 3.380 -1.889 135 HE1 PHE 21 2HE PHE 21 8.444 0.361 -5.076 136 HE2 PHE 21 1HE PHE 21 8.255 2.161 -1.222 137 HZ PHE 21 HZ PHE 21 9.359 0.652 -2.809 138 H CYS 22 H CYS 22 3.953 -0.026 -5.125 139 HA CYS 22 HA CYS 22 3.259 -0.867 -2.388 140 HB2 CYS 22 2HB CYS 22 2.747 -2.158 -5.061 141 HB3 CYS 22 1HB CYS 22 2.754 -3.110 -3.583 142 H ASP 23 H ASP 23 4.849 -1.749 -1.244 143 HA ASP 23 HA ASP 23 7.354 -2.455 -2.543 144 HB2 ASP 23 2HB ASP 23 6.637 -1.405 -0.010 145 HB3 ASP 23 1HB ASP 23 7.394 -2.969 0.282 146 H SER 24 H SER 24 7.827 -4.430 -3.153 147 HA SER 24 HA SER 24 6.181 -6.682 -2.376 148 HB2 SER 24 2HB SER 24 7.555 -7.909 -4.078 149 HB3 SER 24 1HB SER 24 6.723 -6.489 -4.711 150 HG SER 24 HG SER 24 9.337 -7.026 -4.712 151 H TYR 25 H TYR 25 8.958 -5.290 -1.127 152 HA TYR 25 HA TYR 25 10.434 -7.636 -0.402 153 HB2 TYR 25 2HB TYR 25 11.193 -5.124 -0.569 154 HB3 TYR 25 1HB TYR 25 10.661 -5.056 1.107 155 HD1 TYR 25 2HD TYR 25 11.857 -6.271 2.844 156 HD2 TYR 25 1HD TYR 25 13.149 -6.415 -1.207 157 HE1 TYR 25 2HE TYR 25 14.016 -7.197 3.572 158 HE2 TYR 25 1HE TYR 25 15.311 -7.343 -0.491 159 HH TYR 25 HH TYR 25 15.855 -8.537 2.637 160 H THR 26 H THR 26 7.761 -5.906 0.949 161 HA THR 26 HA THR 26 7.600 -7.825 3.159 162 HB THR 26 HB THR 26 6.794 -5.944 4.662 163 HG1 THR 26 1HG THR 26 8.193 -3.973 3.570 164 HG21 THR 26 3HG2 THR 26 9.059 -5.226 5.283 165 HG22 THR 26 1HG2 THR 26 9.677 -5.855 3.754 166 HG23 THR 26 2HG2 THR 26 9.000 -6.958 4.953 167 H LYS 27 H LYS 27 6.176 -6.531 0.514 168 HA LYS 27 HA LYS 27 4.097 -6.420 -0.383 169 HB2 LYS 27 2HB LYS 27 3.584 -8.474 1.773 170 HB3 LYS 27 1HB LYS 27 2.357 -8.010 0.603 171 HG2 LYS 27 2HG LYS 27 3.818 -8.745 -1.217 172 HG3 LYS 27 1HG LYS 27 5.042 -9.218 -0.038 173 HD2 LYS 27 2HD LYS 27 3.480 -10.829 0.937 174 HD3 LYS 27 1HD LYS 27 2.251 -10.351 -0.236 175 HE2 LYS 27 2HE LYS 27 3.703 -11.102 -2.058 176 HE3 LYS 27 1HE LYS 27 4.929 -11.579 -0.886 177 HZ1 LYS 27 3HZ LYS 27 2.196 -12.722 -1.091 178 HZ2 LYS 27 1HZ LYS 27 3.370 -13.178 0.038 179 HZ3 LYS 27 2HZ LYS 27 3.620 -13.472 -1.608 180 H THR 28 H THR 28 4.541 -4.222 0.904 181 HA THR 28 HA THR 28 1.993 -3.575 2.224 182 HB THR 28 HB THR 28 3.282 -2.019 3.770 183 HG1 THR 28 1HG THR 28 5.330 -1.976 3.073 184 HG21 THR 28 3HG2 THR 28 2.236 -4.072 4.580 185 HG22 THR 28 1HG2 THR 28 3.773 -3.790 5.398 186 HG23 THR 28 2HG2 THR 28 3.665 -4.996 4.115 187 H CYS 29 H CYS 29 1.535 -1.269 2.319 188 HA CYS 29 HA CYS 29 2.170 0.016 -0.192 189 HB2 CYS 29 2HB CYS 29 0.151 0.340 1.949 190 HB3 CYS 29 1HB CYS 29 0.599 1.801 1.084 191 H LYS 30 H LYS 30 3.653 1.532 -0.496 192 HA LYS 30 HA LYS 30 4.578 3.154 1.777 193 HB2 LYS 30 2HB LYS 30 6.332 1.636 -0.160 194 HB3 LYS 30 1HB LYS 30 6.929 2.936 0.862 195 HG2 LYS 30 2HG LYS 30 5.975 1.528 2.808 196 HG3 LYS 30 1HG LYS 30 5.980 0.210 1.633 197 HD2 LYS 30 2HD LYS 30 8.369 0.558 1.247 198 HD3 LYS 30 1HD LYS 30 8.367 1.881 2.415 199 HE2 LYS 30 2HE LYS 30 7.693 0.321 4.177 200 HE3 LYS 30 1HE LYS 30 7.697 -1.000 3.009 201 HZ1 LYS 30 3HZ LYS 30 9.734 -0.955 4.303 202 HZ2 LYS 30 1HZ LYS 30 10.060 0.624 3.786 203 HZ3 LYS 30 2HZ LYS 30 10.063 -0.650 2.673 204 H ASP 31 H ASP 31 5.718 5.122 1.127 205 HA ASP 31 HA ASP 31 4.516 6.303 -1.244 206 HB2 ASP 31 2HB ASP 31 6.095 7.469 1.052 207 HB3 ASP 31 1HB ASP 31 5.579 8.423 -0.335 208 H LYS 32 H LYS 32 5.629 7.152 -2.977 209 HA LYS 32 HA LYS 32 8.316 6.086 -3.392 210 HB2 LYS 32 2HB LYS 32 6.222 6.046 -5.035 211 HB3 LYS 32 1HB LYS 32 6.864 7.612 -5.507 212 HG2 LYS 32 2HG LYS 32 9.010 6.570 -6.049 213 HG3 LYS 32 1HG LYS 32 8.364 4.998 -5.574 214 HD2 LYS 32 2HD LYS 32 6.661 5.174 -7.331 215 HD3 LYS 32 1HD LYS 32 7.315 6.742 -7.805 216 HE2 LYS 32 2HE LYS 32 8.215 5.183 -9.329 217 HE3 LYS 32 1HE LYS 32 9.516 5.555 -8.199 218 HZ1 LYS 32 3HZ LYS 32 7.775 3.148 -8.101 219 HZ2 LYS 32 1HZ LYS 32 9.023 3.505 -7.014 220 HZ3 LYS 32 2HZ LYS 32 9.379 3.186 -8.637 221 H SER 33 H SER 33 10.115 7.306 -3.718 222 HA SER 33 HA SER 33 9.907 10.164 -3.095 223 HB2 SER 33 2HB SER 33 12.309 8.321 -3.051 224 HB3 SER 33 1HB SER 33 12.322 10.022 -2.591 225 HG SER 33 HG SER 33 11.945 8.135 -0.962 226 H SER 34 H SER 34 10.745 11.741 -4.398 227 HA SER 34 HA SER 34 11.810 10.917 -7.017 228 HB2 SER 34 2HB SER 34 9.407 11.645 -7.141 229 HB3 SER 34 1HB SER 34 9.914 13.235 -6.574 230 HG SER 34 HG SER 34 10.085 13.531 -8.675 231 H ALA 35 H ALA 35 13.391 12.209 -7.912 232 HA ALA 35 HA ALA 35 14.665 14.095 -6.063 233 HB1 ALA 35 1HB ALA 35 16.691 13.763 -7.375 234 HB2 ALA 35 2HB ALA 35 15.806 12.744 -8.510 235 HB3 ALA 35 3HB ALA 35 16.031 12.217 -6.842 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -12.893 5.581 -5.370 2 H2 GLY 1 2HT GLY 1 -14.091 6.574 -4.705 3 H3 GLY 1 3HT GLY 1 -14.522 5.302 -5.733 4 HA2 GLY 1 1HA GLY 1 -14.980 4.713 -3.443 5 HA3 GLY 1 2HA GLY 1 -13.735 3.682 -4.134 6 H TRP 2 H TRP 2 -12.972 3.177 -2.051 7 HA TRP 2 HA TRP 2 -11.784 5.346 -0.482 8 HB2 TRP 2 2HB TRP 2 -12.223 2.419 0.142 9 HB3 TRP 2 1HB TRP 2 -11.389 3.534 1.217 10 HD1 TRP 2 HD TRP 2 -12.847 5.085 2.723 11 HE1 TRP 2 1HE TRP 2 -15.376 5.327 3.128 12 HE3 TRP 2 3HE TRP 2 -14.582 2.230 -1.161 13 HZ2 TRP 2 2HZ TRP 2 -17.783 4.432 1.965 14 HZ3 TRP 2 3HZ TRP 2 -17.013 1.977 -1.439 15 HH2 TRP 2 HH TRP 2 -18.579 3.056 0.092 16 H CYS 3 H CYS 3 -9.610 5.373 0.124 17 HA CYS 3 HA CYS 3 -7.827 3.819 -1.630 18 HB2 CYS 3 2HB CYS 3 -7.821 6.318 -1.900 19 HB3 CYS 3 1HB CYS 3 -7.210 6.441 -0.254 20 H GLY 4 H GLY 4 -5.754 3.154 -0.753 21 HA2 GLY 4 2HA GLY 4 -6.027 2.168 1.972 22 HA3 GLY 4 1HA GLY 4 -4.798 1.699 0.810 23 H ASP 5 H ASP 5 -4.843 2.718 3.700 24 HA ASP 5 HA ASP 5 -3.217 5.127 3.523 25 HB2 ASP 5 2HB ASP 5 -4.365 3.563 5.836 26 HB3 ASP 5 1HB ASP 5 -3.251 4.906 6.070 27 HA HYP 6 HA HYP 6 0.827 3.241 3.859 28 HB2 HYP 6 2HB HYP 6 1.446 4.870 6.264 29 HB3 HYP 6 1HB HYP 6 2.289 4.796 4.704 30 HG HYP 6 2HG HYP 6 0.837 6.927 5.349 31 HD22 HYP 6 1HD HYP 6 -1.385 6.248 3.962 32 HD23 HYP 6 2HD HYP 6 -1.274 6.023 5.721 33 HD1 HYP 6 1HG HYP 6 1.225 7.272 3.286 34 H GLY 7 H GLY 7 1.540 1.389 4.684 35 HA2 GLY 7 2HA GLY 7 2.211 -0.033 6.488 36 HA3 GLY 7 1HA GLY 7 0.993 0.728 7.498 37 H ALA 8 H ALA 8 -0.160 0.052 4.394 38 HA ALA 8 HA ALA 8 -1.690 -2.238 5.399 39 HB1 ALA 8 1HB ALA 8 -2.970 -0.332 4.543 40 HB2 ALA 8 2HB ALA 8 -3.242 -1.780 3.574 41 HB3 ALA 8 3HB ALA 8 -2.180 -0.506 2.976 42 H THR 9 H THR 9 -1.999 -4.109 4.095 43 HA THR 9 HA THR 9 0.380 -4.952 2.701 44 HB THR 9 HB THR 9 -2.095 -6.635 2.708 45 HG1 THR 9 1HG THR 9 -1.043 -5.528 4.942 46 HG21 THR 9 3HG2 THR 9 0.820 -7.234 3.244 47 HG22 THR 9 1HG2 THR 9 -0.029 -7.508 1.723 48 HG23 THR 9 2HG2 THR 9 -0.476 -8.427 3.160 49 H CYS 10 H CYS 10 0.706 -5.119 0.561 50 HA CYS 10 HA CYS 10 -1.417 -4.202 -1.238 51 HB2 CYS 10 2HB CYS 10 0.784 -3.055 -1.313 52 HB3 CYS 10 1HB CYS 10 1.538 -4.574 -1.783 53 H GLY 11 H GLY 11 -2.475 -5.550 -2.525 54 HA2 GLY 11 2HA GLY 11 -1.244 -7.900 -3.655 55 HA3 GLY 11 1HA GLY 11 -2.457 -8.265 -2.440 56 H LYS 12 H LYS 12 -4.311 -8.820 -3.332 57 HA LYS 12 HA LYS 12 -5.253 -7.345 -5.704 58 HB2 LYS 12 2HB LYS 12 -5.424 -10.294 -5.107 59 HB3 LYS 12 1HB LYS 12 -6.468 -9.518 -6.290 60 HG2 LYS 12 2HG LYS 12 -4.507 -8.817 -7.566 61 HG3 LYS 12 1HG LYS 12 -3.457 -9.586 -6.375 62 HD2 LYS 12 2HD LYS 12 -4.472 -11.755 -6.887 63 HD3 LYS 12 1HD LYS 12 -5.520 -10.984 -8.078 64 HE2 LYS 12 2HE LYS 12 -3.553 -10.292 -9.357 65 HE3 LYS 12 1HE LYS 12 -2.506 -11.061 -8.166 66 HZ1 LYS 12 3HZ LYS 12 -2.834 -12.475 -10.092 67 HZ2 LYS 12 1HZ LYS 12 -4.510 -12.452 -9.859 68 HZ3 LYS 12 2HZ LYS 12 -3.507 -13.191 -8.716 69 H LEU 13 H LEU 13 -6.171 -9.096 -2.769 70 HA LEU 13 HA LEU 13 -8.932 -8.186 -2.954 71 HB2 LEU 13 2HB LEU 13 -7.498 -9.937 -0.960 72 HB3 LEU 13 1HB LEU 13 -9.182 -9.478 -0.804 73 HG LEU 13 HG LEU 13 -9.336 -10.528 -3.236 74 HD11 LEU 13 1HD1 LEU 13 -7.013 -12.001 -2.000 75 HD12 LEU 13 2HD1 LEU 13 -6.954 -10.993 -3.446 76 HD13 LEU 13 3HD1 LEU 13 -7.891 -12.487 -3.450 77 HD21 LEU 13 3HD2 LEU 13 -10.621 -11.257 -1.309 78 HD22 LEU 13 1HD2 LEU 13 -9.224 -12.133 -0.685 79 HD23 LEU 13 2HD2 LEU 13 -9.988 -12.649 -2.189 80 H ARG 14 H ARG 14 -6.027 -7.058 -1.648 81 HA ARG 14 HA ARG 14 -7.271 -5.560 0.528 82 HB2 ARG 14 2HB ARG 14 -4.406 -5.949 -0.342 83 HB3 ARG 14 1HB ARG 14 -4.858 -4.783 0.893 84 HG2 ARG 14 2HG ARG 14 -5.725 -7.623 1.186 85 HG3 ARG 14 1HG ARG 14 -4.058 -7.182 1.553 86 HD2 ARG 14 2HD ARG 14 -4.857 -5.505 3.151 87 HD3 ARG 14 1HD ARG 14 -6.524 -5.945 2.781 88 HE ARG 14 HE ARG 14 -5.108 -8.239 3.592 89 HH11 ARG 14 1HH1 ARG 14 -6.412 -5.281 4.965 90 HH12 ARG 14 2HH1 ARG 14 -6.626 -5.971 6.540 91 HH21 ARG 14 2HH2 ARG 14 -5.398 -9.120 5.660 92 HH22 ARG 14 1HH2 ARG 14 -6.051 -8.143 6.931 93 H LEU 15 H LEU 15 -6.458 -3.197 0.740 94 HA LEU 15 HA LEU 15 -7.389 -1.747 -1.548 95 HB2 LEU 15 2HB LEU 15 -6.574 -1.098 1.228 96 HB3 LEU 15 1HB LEU 15 -6.457 0.199 0.055 97 HG LEU 15 HG LEU 15 -9.018 -1.334 0.255 98 HD11 LEU 15 1HD1 LEU 15 -9.786 0.279 1.973 99 HD12 LEU 15 2HD1 LEU 15 -8.119 0.830 2.152 100 HD13 LEU 15 3HD1 LEU 15 -8.547 -0.832 2.560 101 HD21 LEU 15 3HD2 LEU 15 -9.955 0.855 -0.355 102 HD22 LEU 15 1HD2 LEU 15 -8.758 0.302 -1.527 103 HD23 LEU 15 2HD2 LEU 15 -8.331 1.543 -0.348 104 H TYR 16 H TYR 16 -6.270 -0.051 -2.647 105 HA TYR 16 HA TYR 16 -3.505 -0.734 -3.239 106 HB2 TYR 16 2HB TYR 16 -5.502 1.106 -4.564 107 HB3 TYR 16 1HB TYR 16 -3.827 0.984 -5.087 108 HD1 TYR 16 1HD TYR 16 -3.019 -1.015 -6.216 109 HD2 TYR 16 2HD TYR 16 -7.070 -0.707 -4.955 110 HE1 TYR 16 1HE TYR 16 -3.600 -2.935 -7.637 111 HE2 TYR 16 2HE TYR 16 -7.663 -2.628 -6.373 112 HH TYR 16 HH TYR 16 -6.803 -3.780 -8.367 113 H CYS 17 H CYS 17 -1.950 1.100 -3.650 114 HA CYS 17 HA CYS 17 -1.777 2.746 -1.280 115 HB2 CYS 17 2HB CYS 17 0.132 2.811 -3.608 116 HB3 CYS 17 1HB CYS 17 0.455 3.182 -1.920 117 H CYS 18 H CYS 18 -1.962 4.926 -1.128 118 HA CYS 18 HA CYS 18 -3.429 6.324 -3.145 119 HB2 CYS 18 2HB CYS 18 -2.160 7.331 -0.593 120 HB3 CYS 18 1HB CYS 18 -3.273 8.250 -1.599 121 H SER 19 H SER 19 -0.093 5.871 -2.577 122 HA SER 19 HA SER 19 0.680 8.264 -4.081 123 HB2 SER 19 2HB SER 19 2.380 6.233 -2.614 124 HB3 SER 19 1HB SER 19 2.989 7.679 -3.417 125 HG SER 19 HG SER 19 1.183 8.626 -1.893 126 H GLY 20 H GLY 20 0.494 4.790 -4.333 127 HA2 GLY 20 2HA GLY 20 0.350 3.636 -6.389 128 HA3 GLY 20 1HA GLY 20 1.181 4.967 -7.173 129 H PHE 21 H PHE 21 2.245 3.290 -4.238 130 HA PHE 21 HA PHE 21 4.334 1.908 -5.743 131 HB2 PHE 21 2HB PHE 21 5.469 3.937 -5.157 132 HB3 PHE 21 1HB PHE 21 4.856 3.888 -3.514 133 HD1 PHE 21 1HD PHE 21 6.774 1.514 -5.717 134 HD2 PHE 21 2HD PHE 21 6.491 3.506 -1.962 135 HE1 PHE 21 1HE PHE 21 8.827 0.385 -4.960 136 HE2 PHE 21 2HE PHE 21 8.542 2.383 -1.210 137 HZ PHE 21 HZ PHE 21 9.709 0.827 -2.704 138 H CYS 22 H CYS 22 4.350 -0.119 -5.192 139 HA CYS 22 HA CYS 22 3.567 -0.915 -2.465 140 HB2 CYS 22 2HB CYS 22 3.173 -2.265 -5.130 141 HB3 CYS 22 1HB CYS 22 3.138 -3.189 -3.633 142 H ASP 23 H ASP 23 5.167 -1.669 -1.251 143 HA ASP 23 HA ASP 23 7.701 -2.422 -2.460 144 HB2 ASP 23 2HB ASP 23 6.927 -1.245 -0.003 145 HB3 ASP 23 1HB ASP 23 7.686 -2.787 0.389 146 H SER 24 H SER 24 8.241 -4.418 -2.924 147 HA SER 24 HA SER 24 6.581 -6.650 -2.128 148 HB2 SER 24 2HB SER 24 9.023 -6.532 -3.910 149 HB3 SER 24 1HB SER 24 7.996 -7.948 -3.687 150 HG SER 24 HG SER 24 7.665 -6.101 -5.458 151 H TYR 25 H TYR 25 9.257 -5.156 -0.771 152 HA TYR 25 HA TYR 25 10.706 -7.436 0.175 153 HB2 TYR 25 2HB TYR 25 11.430 -4.914 -0.054 154 HB3 TYR 25 1HB TYR 25 10.784 -4.789 1.577 155 HD1 TYR 25 1HD TYR 25 13.443 -6.199 -0.507 156 HD2 TYR 25 2HD TYR 25 11.887 -5.898 3.441 157 HE1 TYR 25 1HE TYR 25 15.569 -7.052 0.389 158 HE2 TYR 25 2HE TYR 25 14.009 -6.749 4.348 159 HH TYR 25 HH TYR 25 16.838 -6.989 2.491 160 H THR 26 H THR 26 7.909 -5.709 1.232 161 HA THR 26 HA THR 26 7.612 -7.520 3.518 162 HB THR 26 HB THR 26 6.661 -5.587 4.859 163 HG1 THR 26 1HG THR 26 8.115 -3.646 3.775 164 HG21 THR 26 3HG2 THR 26 8.858 -4.796 5.619 165 HG22 THR 26 1HG2 THR 26 9.603 -5.482 4.175 166 HG23 THR 26 2HG2 THR 26 8.854 -6.541 5.370 167 H LYS 27 H LYS 27 6.377 -6.364 0.713 168 HA LYS 27 HA LYS 27 4.374 -6.329 -0.346 169 HB2 LYS 27 2HB LYS 27 3.734 -8.315 1.839 170 HB3 LYS 27 1HB LYS 27 2.593 -7.921 0.562 171 HG2 LYS 27 2HG LYS 27 4.205 -8.688 -1.112 172 HG3 LYS 27 1HG LYS 27 5.343 -9.089 0.175 173 HD2 LYS 27 2HD LYS 27 3.743 -10.700 1.088 174 HD3 LYS 27 1HD LYS 27 2.599 -10.293 -0.193 175 HE2 LYS 27 2HE LYS 27 4.203 -11.077 -1.868 176 HE3 LYS 27 1HE LYS 27 5.344 -11.482 -0.586 177 HZ1 LYS 27 3HZ LYS 27 4.133 -13.429 -1.336 178 HZ2 LYS 27 1HZ LYS 27 2.657 -12.694 -0.955 179 HZ3 LYS 27 2HZ LYS 27 3.751 -13.084 0.275 180 H THR 28 H THR 28 4.697 -4.084 0.937 181 HA THR 28 HA THR 28 2.019 -3.418 1.954 182 HB THR 28 HB THR 28 3.119 -1.866 3.646 183 HG1 THR 28 1HG THR 28 5.224 -1.863 3.673 184 HG21 THR 28 3HG2 THR 28 3.382 -3.634 5.330 185 HG22 THR 28 1HG2 THR 28 3.426 -4.845 4.048 186 HG23 THR 28 2HG2 THR 28 1.958 -3.907 4.324 187 H CYS 29 H CYS 29 1.587 -1.101 2.009 188 HA CYS 29 HA CYS 29 2.472 0.166 -0.425 189 HB2 CYS 29 2HB CYS 29 0.388 0.725 1.650 190 HB3 CYS 29 1HB CYS 29 0.865 2.000 0.541 191 H LYS 30 H LYS 30 3.965 1.703 -0.632 192 HA LYS 30 HA LYS 30 4.807 3.241 1.728 193 HB2 LYS 30 2HB LYS 30 6.624 1.741 -0.161 194 HB3 LYS 30 1HB LYS 30 7.197 3.016 0.905 195 HG2 LYS 30 2HG LYS 30 6.138 1.595 2.788 196 HG3 LYS 30 1HG LYS 30 6.171 0.294 1.595 197 HD2 LYS 30 2HD LYS 30 8.580 0.609 1.314 198 HD3 LYS 30 1HD LYS 30 8.550 1.913 2.504 199 HE2 LYS 30 2HE LYS 30 7.778 0.337 4.209 200 HE3 LYS 30 1HE LYS 30 7.805 -0.964 3.020 201 HZ1 LYS 30 3HZ LYS 30 10.190 -0.649 2.785 202 HZ2 LYS 30 1HZ LYS 30 9.788 -0.984 4.393 203 HZ3 LYS 30 2HZ LYS 30 10.163 0.598 3.927 204 H ASP 31 H ASP 31 5.997 5.208 1.204 205 HA ASP 31 HA ASP 31 4.950 6.481 -1.195 206 HB2 ASP 31 2HB ASP 31 6.392 7.554 1.234 207 HB3 ASP 31 1HB ASP 31 5.973 8.557 -0.150 208 H LYS 32 H LYS 32 6.217 7.507 -2.761 209 HA LYS 32 HA LYS 32 8.860 6.334 -3.133 210 HB2 LYS 32 2HB LYS 32 6.862 7.670 -4.899 211 HB3 LYS 32 1HB LYS 32 8.551 7.731 -5.379 212 HG2 LYS 32 2HG LYS 32 7.419 5.093 -4.617 213 HG3 LYS 32 1HG LYS 32 6.942 5.788 -6.168 214 HD2 LYS 32 2HD LYS 32 9.326 6.026 -6.763 215 HD3 LYS 32 1HD LYS 32 9.766 5.263 -5.233 216 HE2 LYS 32 2HE LYS 32 8.568 3.237 -5.903 217 HE3 LYS 32 1HE LYS 32 8.128 4.001 -7.430 218 HZ1 LYS 32 3HZ LYS 32 10.896 3.418 -6.523 219 HZ2 LYS 32 1HZ LYS 32 10.475 4.151 -7.989 220 HZ3 LYS 32 2HZ LYS 32 10.035 2.546 -7.689 221 H SER 33 H SER 33 7.363 9.543 -2.878 222 HA SER 33 HA SER 33 10.042 10.747 -2.666 223 HB2 SER 33 2HB SER 33 7.405 12.049 -3.385 224 HB3 SER 33 1HB SER 33 8.952 12.884 -3.262 225 HG SER 33 HG SER 33 9.701 11.419 -4.927 226 H SER 34 H SER 34 10.571 12.010 -0.935 227 HA SER 34 HA SER 34 8.585 12.252 1.227 228 HB2 SER 34 2HB SER 34 11.509 11.522 1.535 229 HB3 SER 34 1HB SER 34 10.388 11.820 2.864 230 HG SER 34 HG SER 34 9.290 10.035 1.227 231 H ALA 35 H ALA 35 11.596 13.508 -0.168 232 HA ALA 35 HA ALA 35 11.233 16.033 1.277 233 HB1 ALA 35 1HB ALA 35 13.599 15.068 -0.329 234 HB2 ALA 35 2HB ALA 35 13.439 14.982 1.426 235 HB3 ALA 35 3HB ALA 35 13.523 16.550 0.624 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -13.525 7.123 -5.012 2 H2 GLY 1 2HT GLY 1 -14.036 5.910 -6.072 3 H3 GLY 1 3HT GLY 1 -12.399 6.041 -5.665 4 HA2 GLY 1 1HA GLY 1 -14.601 5.328 -3.804 5 HA3 GLY 1 2HA GLY 1 -13.435 4.203 -4.483 6 H TRP 2 H TRP 2 -12.778 3.604 -2.387 7 HA TRP 2 HA TRP 2 -11.441 5.631 -0.754 8 HB2 TRP 2 2HB TRP 2 -12.148 2.741 -0.191 9 HB3 TRP 2 1HB TRP 2 -11.250 3.764 0.924 10 HD1 TRP 2 HD TRP 2 -12.602 5.770 2.114 11 HE1 TRP 2 1HE TRP 2 -15.111 6.084 2.583 12 HE3 TRP 2 3HE TRP 2 -14.491 2.278 -1.124 13 HZ2 TRP 2 2HZ TRP 2 -17.562 5.003 1.705 14 HZ3 TRP 2 3HZ TRP 2 -16.930 1.985 -1.243 15 HH2 TRP 2 HH TRP 2 -18.433 3.319 0.143 16 H CYS 3 H CYS 3 -9.300 5.349 0.012 17 HA CYS 3 HA CYS 3 -7.637 3.453 -1.495 18 HB2 CYS 3 2HB CYS 3 -5.911 5.128 -1.819 19 HB3 CYS 3 1HB CYS 3 -7.422 5.690 -2.521 20 H GLY 4 H GLY 4 -5.751 2.737 -0.436 21 HA2 GLY 4 2HA GLY 4 -6.027 2.569 2.430 22 HA3 GLY 4 1HA GLY 4 -4.827 1.757 1.444 23 H ASP 5 H ASP 5 -4.574 3.168 4.002 24 HA ASP 5 HA ASP 5 -2.984 5.534 3.395 25 HB2 ASP 5 2HB ASP 5 -3.952 4.255 5.947 26 HB3 ASP 5 1HB ASP 5 -2.766 5.553 5.964 27 HA HYP 6 HA HYP 6 1.090 3.709 3.469 28 HB2 HYP 6 2HB HYP 6 2.348 5.317 5.403 29 HB3 HYP 6 1HB HYP 6 2.259 5.658 3.665 30 HG HYP 6 2HG HYP 6 0.612 6.753 5.890 31 HD22 HYP 6 1HD HYP 6 -0.525 6.592 3.111 32 HD23 HYP 6 2HD HYP 6 -1.372 6.714 4.667 33 HD1 HYP 6 1HG HYP 6 1.973 7.624 3.658 34 H GLY 7 H GLY 7 1.620 1.846 4.342 35 HA2 GLY 7 2HA GLY 7 2.585 0.667 6.251 36 HA3 GLY 7 1HA GLY 7 1.416 1.495 7.269 37 H ALA 8 H ALA 8 0.105 0.509 4.307 38 HA ALA 8 HA ALA 8 -1.357 -1.668 5.610 39 HB1 ALA 8 1HB ALA 8 -2.957 -1.445 3.783 40 HB2 ALA 8 2HB ALA 8 -1.918 -0.253 3.003 41 HB3 ALA 8 3HB ALA 8 -2.671 0.116 4.554 42 H THR 9 H THR 9 -1.679 -3.691 4.551 43 HA THR 9 HA THR 9 0.677 -4.699 3.244 44 HB THR 9 HB THR 9 -1.808 -6.356 3.410 45 HG1 THR 9 1HG THR 9 -1.970 -5.672 5.447 46 HG21 THR 9 3HG2 THR 9 -0.205 -8.092 4.078 47 HG22 THR 9 1HG2 THR 9 1.096 -6.901 4.055 48 HG23 THR 9 2HG2 THR 9 0.271 -7.335 2.558 49 H CYS 10 H CYS 10 1.054 -4.738 1.136 50 HA CYS 10 HA CYS 10 -1.167 -4.306 -0.735 51 HB2 CYS 10 2HB CYS 10 0.783 -2.739 -0.779 52 HB3 CYS 10 1HB CYS 10 1.804 -4.089 -1.262 53 H GLY 11 H GLY 11 -1.490 -5.602 -2.529 54 HA2 GLY 11 2HA GLY 11 -0.017 -7.618 -3.601 55 HA3 GLY 11 1HA GLY 11 -0.758 -8.372 -2.197 56 H LYS 12 H LYS 12 -2.528 -9.470 -2.666 57 HA LYS 12 HA LYS 12 -4.127 -8.683 -4.995 58 HB2 LYS 12 2HB LYS 12 -3.892 -11.282 -3.479 59 HB3 LYS 12 1HB LYS 12 -5.175 -10.994 -4.645 60 HG2 LYS 12 2HG LYS 12 -3.507 -10.644 -6.398 61 HG3 LYS 12 1HG LYS 12 -2.219 -10.930 -5.226 62 HD2 LYS 12 2HD LYS 12 -3.067 -13.196 -4.849 63 HD3 LYS 12 1HD LYS 12 -4.355 -12.909 -6.021 64 HE2 LYS 12 2HE LYS 12 -2.681 -12.573 -7.774 65 HE3 LYS 12 1HE LYS 12 -1.395 -12.857 -6.603 66 HZ1 LYS 12 3HZ LYS 12 -3.473 -14.825 -7.399 67 HZ2 LYS 12 1HZ LYS 12 -2.237 -15.098 -6.276 68 HZ3 LYS 12 2HZ LYS 12 -1.858 -14.836 -7.903 69 H LEU 13 H LEU 13 -5.189 -6.955 -4.001 70 HA LEU 13 HA LEU 13 -7.437 -7.748 -2.291 71 HB2 LEU 13 2HB LEU 13 -5.586 -5.416 -1.766 72 HB3 LEU 13 1HB LEU 13 -7.148 -5.606 -0.997 73 HG LEU 13 HG LEU 13 -6.065 -7.971 -0.331 74 HD11 LEU 13 1HD1 LEU 13 -3.722 -7.657 0.286 75 HD12 LEU 13 2HD1 LEU 13 -3.726 -6.074 -0.493 76 HD13 LEU 13 3HD1 LEU 13 -3.950 -7.534 -1.459 77 HD21 LEU 13 3HD2 LEU 13 -5.616 -5.353 1.096 78 HD22 LEU 13 1HD2 LEU 13 -5.499 -6.952 1.828 79 HD23 LEU 13 2HD2 LEU 13 -7.048 -6.376 1.213 80 H ARG 14 H ARG 14 -9.164 -6.062 -2.236 81 HA ARG 14 HA ARG 14 -9.633 -5.039 -4.907 82 HB2 ARG 14 2HB ARG 14 -11.326 -5.190 -2.419 83 HB3 ARG 14 1HB ARG 14 -11.864 -4.346 -3.863 84 HG2 ARG 14 2HG ARG 14 -11.680 -6.418 -5.147 85 HG3 ARG 14 1HG ARG 14 -11.140 -7.266 -3.696 86 HD2 ARG 14 2HD ARG 14 -13.266 -6.747 -2.603 87 HD3 ARG 14 1HD ARG 14 -13.804 -5.895 -4.049 88 HE ARG 14 HE ARG 14 -13.088 -8.494 -4.786 89 HH11 ARG 14 1HH1 ARG 14 -15.574 -6.914 -2.873 90 HH12 ARG 14 2HH1 ARG 14 -16.745 -8.158 -3.158 91 HH21 ARG 14 1HH2 ARG 14 -14.637 -10.110 -5.145 92 HH22 ARG 14 2HH2 ARG 14 -16.214 -9.965 -4.442 93 H LEU 15 H LEU 15 -8.777 -3.782 -1.774 94 HA LEU 15 HA LEU 15 -9.196 -1.017 -2.627 95 HB2 LEU 15 2HB LEU 15 -10.038 -1.419 -0.452 96 HB3 LEU 15 1HB LEU 15 -8.622 -2.322 0.025 97 HG LEU 15 HG LEU 15 -7.319 -0.263 0.198 98 HD11 LEU 15 1HD1 LEU 15 -8.315 1.083 -1.543 99 HD12 LEU 15 2HD1 LEU 15 -8.407 1.934 -0.001 100 HD13 LEU 15 3HD1 LEU 15 -9.841 1.147 -0.661 101 HD21 LEU 15 3HD2 LEU 15 -8.246 0.531 2.175 102 HD22 LEU 15 1HD2 LEU 15 -8.884 -1.108 2.043 103 HD23 LEU 15 2HD2 LEU 15 -9.900 0.273 1.617 104 H TYR 16 H TYR 16 -7.620 0.152 -3.447 105 HA TYR 16 HA TYR 16 -4.867 -0.825 -3.330 106 HB2 TYR 16 2HB TYR 16 -6.226 1.239 -5.069 107 HB3 TYR 16 1HB TYR 16 -4.488 0.962 -5.091 108 HD1 TYR 16 2HD TYR 16 -3.564 -1.072 -6.055 109 HD2 TYR 16 1HD TYR 16 -7.765 -0.397 -6.000 110 HE1 TYR 16 2HE TYR 16 -3.871 -2.882 -7.692 111 HE2 TYR 16 1HE TYR 16 -8.083 -2.204 -7.636 112 HH TYR 16 HH TYR 16 -6.782 -3.378 -9.361 113 H CYS 17 H CYS 17 -3.107 0.600 -2.857 114 HA CYS 17 HA CYS 17 -3.667 2.352 -0.634 115 HB2 CYS 17 2HB CYS 17 -1.105 1.408 -1.908 116 HB3 CYS 17 1HB CYS 17 -1.141 2.545 -0.564 117 H CYS 18 H CYS 18 -3.418 4.502 -0.486 118 HA CYS 18 HA CYS 18 -3.661 6.102 -2.825 119 HB2 CYS 18 2HB CYS 18 -4.085 6.392 -0.038 120 HB3 CYS 18 1HB CYS 18 -3.000 7.687 -0.531 121 H SER 19 H SER 19 -0.902 4.791 -1.466 122 HA SER 19 HA SER 19 0.874 7.038 -1.926 123 HB2 SER 19 2HB SER 19 1.472 4.170 -1.171 124 HB3 SER 19 1HB SER 19 2.657 5.476 -1.224 125 HG SER 19 HG SER 19 0.322 5.529 0.383 126 H GLY 20 H GLY 20 -0.145 4.149 -3.620 127 HA2 GLY 20 2HA GLY 20 0.029 3.776 -5.922 128 HA3 GLY 20 1HA GLY 20 1.208 5.070 -6.024 129 H PHE 21 H PHE 21 3.063 4.162 -4.117 130 HA PHE 21 HA PHE 21 4.324 2.032 -5.642 131 HB2 PHE 21 2HB PHE 21 5.778 3.853 -5.247 132 HB3 PHE 21 1HB PHE 21 5.305 3.981 -3.562 133 HD1 PHE 21 2HD PHE 21 6.844 1.389 -5.812 134 HD2 PHE 21 1HD PHE 21 6.899 3.369 -2.040 135 HE1 PHE 21 2HE PHE 21 8.809 0.066 -5.144 136 HE2 PHE 21 1HE PHE 21 8.866 2.052 -1.376 137 HZ PHE 21 HZ PHE 21 9.817 0.401 -2.921 138 H CYS 22 H CYS 22 4.404 -0.001 -5.064 139 HA CYS 22 HA CYS 22 3.741 -0.751 -2.297 140 HB2 CYS 22 2HB CYS 22 3.080 -2.030 -4.927 141 HB3 CYS 22 1HB CYS 22 3.179 -3.018 -3.475 142 H ASP 23 H ASP 23 5.248 -1.756 -1.154 143 HA ASP 23 HA ASP 23 7.722 -2.582 -2.465 144 HB2 ASP 23 2HB ASP 23 7.100 -1.377 0.027 145 HB3 ASP 23 1HB ASP 23 7.802 -2.954 0.378 146 H SER 24 H SER 24 8.032 -4.603 -3.027 147 HA SER 24 HA SER 24 6.333 -6.732 -2.031 148 HB2 SER 24 2HB SER 24 6.898 -6.463 -4.459 149 HB3 SER 24 1HB SER 24 8.559 -6.907 -4.071 150 HG SER 24 HG SER 24 7.974 -8.926 -3.930 151 H TYR 25 H TYR 25 9.269 -5.413 -1.083 152 HA TYR 25 HA TYR 25 10.643 -7.814 -0.299 153 HB2 TYR 25 2HB TYR 25 11.580 -5.405 -0.784 154 HB3 TYR 25 1HB TYR 25 11.224 -5.137 0.918 155 HD1 TYR 25 1HD TYR 25 13.344 -6.939 -1.466 156 HD2 TYR 25 2HD TYR 25 12.498 -6.270 2.650 157 HE1 TYR 25 1HE TYR 25 15.487 -7.984 -0.862 158 HE2 TYR 25 2HE TYR 25 14.637 -7.313 3.265 159 HH TYR 25 HH TYR 25 17.084 -7.964 1.006 160 H THR 26 H THR 26 8.159 -5.874 1.043 161 HA THR 26 HA THR 26 8.183 -7.468 3.505 162 HB THR 26 HB THR 26 7.463 -5.391 4.778 163 HG1 THR 26 1HG THR 26 8.827 -3.725 3.085 164 HG21 THR 26 3HG2 THR 26 9.762 -4.595 5.124 165 HG22 THR 26 1HG2 THR 26 10.272 -5.442 3.662 166 HG23 THR 26 2HG2 THR 26 9.692 -6.356 5.054 167 H LYS 27 H LYS 27 6.549 -6.582 0.818 168 HA LYS 27 HA LYS 27 4.409 -6.631 0.071 169 HB2 LYS 27 2HB LYS 27 4.096 -8.323 2.553 170 HB3 LYS 27 1HB LYS 27 2.774 -8.055 1.426 171 HG2 LYS 27 2HG LYS 27 4.098 -9.060 -0.367 172 HG3 LYS 27 1HG LYS 27 5.424 -9.327 0.766 173 HD2 LYS 27 2HD LYS 27 3.979 -10.776 2.112 174 HD3 LYS 27 1HD LYS 27 2.654 -10.507 0.977 175 HE2 LYS 27 2HE LYS 27 3.982 -11.526 -0.809 176 HE3 LYS 27 1HE LYS 27 5.304 -11.793 0.325 177 HZ1 LYS 27 3HZ LYS 27 2.590 -12.985 0.521 178 HZ2 LYS 27 1HZ LYS 27 3.857 -13.241 1.612 179 HZ3 LYS 27 2HZ LYS 27 3.988 -13.792 0.019 180 H THR 28 H THR 28 5.105 -4.295 1.349 181 HA THR 28 HA THR 28 2.523 -3.428 2.480 182 HB THR 28 HB THR 28 3.838 -1.805 3.931 183 HG1 THR 28 1HG THR 28 5.994 -3.353 4.240 184 HG21 THR 28 3HG2 THR 28 4.093 -4.756 4.532 185 HG22 THR 28 1HG2 THR 28 2.690 -3.744 4.877 186 HG23 THR 28 2HG2 THR 28 4.214 -3.451 5.714 187 H CYS 29 H CYS 29 2.083 -1.161 2.275 188 HA CYS 29 HA CYS 29 2.994 -0.130 -0.273 189 HB2 CYS 29 2HB CYS 29 0.891 0.885 1.643 190 HB3 CYS 29 1HB CYS 29 1.203 1.536 0.040 191 H LYS 30 H LYS 30 4.444 1.405 -0.559 192 HA LYS 30 HA LYS 30 5.156 3.180 1.682 193 HB2 LYS 30 2HB LYS 30 7.045 1.681 -0.140 194 HB3 LYS 30 1HB LYS 30 7.551 3.012 0.889 195 HG2 LYS 30 2HG LYS 30 6.596 1.621 2.822 196 HG3 LYS 30 1HG LYS 30 6.607 0.280 1.672 197 HD2 LYS 30 2HD LYS 30 9.001 0.600 1.313 198 HD3 LYS 30 1HD LYS 30 8.997 1.954 2.445 199 HE2 LYS 30 2HE LYS 30 8.292 0.446 4.239 200 HE3 LYS 30 1HE LYS 30 8.297 -0.906 3.106 201 HZ1 LYS 30 3HZ LYS 30 10.670 -0.579 2.787 202 HZ2 LYS 30 1HZ LYS 30 10.321 -0.845 4.420 203 HZ3 LYS 30 2HZ LYS 30 10.664 0.718 3.872 204 H ASP 31 H ASP 31 6.486 5.092 0.910 205 HA ASP 31 HA ASP 31 5.201 6.255 -1.427 206 HB2 ASP 31 2HB ASP 31 6.984 7.407 0.724 207 HB3 ASP 31 1HB ASP 31 6.436 8.342 -0.664 208 H LYS 32 H LYS 32 6.292 7.107 -3.210 209 HA LYS 32 HA LYS 32 8.826 5.793 -3.815 210 HB2 LYS 32 2HB LYS 32 6.635 6.018 -5.319 211 HB3 LYS 32 1HB LYS 32 7.428 7.507 -5.813 212 HG2 LYS 32 2HG LYS 32 9.396 6.241 -6.504 213 HG3 LYS 32 1HG LYS 32 8.615 4.743 -5.991 214 HD2 LYS 32 2HD LYS 32 6.830 5.121 -7.630 215 HD3 LYS 32 1HD LYS 32 7.625 6.610 -8.146 216 HE2 LYS 32 2HE LYS 32 9.585 5.325 -8.841 217 HE3 LYS 32 1HE LYS 32 8.800 3.837 -8.313 218 HZ1 LYS 32 3HZ LYS 32 7.067 4.213 -9.959 219 HZ2 LYS 32 1HZ LYS 32 8.588 4.143 -10.695 220 HZ3 LYS 32 2HZ LYS 32 7.827 5.635 -10.469 221 H SER 33 H SER 33 7.461 9.054 -3.579 222 HA SER 33 HA SER 33 10.062 10.260 -4.155 223 HB2 SER 33 2HB SER 33 7.353 11.537 -3.705 224 HB3 SER 33 1HB SER 33 8.824 12.402 -4.151 225 HG SER 33 HG SER 33 8.626 11.720 -6.143 226 H SER 34 H SER 34 11.376 11.025 -2.646 227 HA SER 34 HA SER 34 10.339 11.515 0.066 228 HB2 SER 34 2HB SER 34 11.554 9.317 -0.089 229 HB3 SER 34 1HB SER 34 13.005 10.212 -0.538 230 HG SER 34 HG SER 34 13.274 10.238 1.560 231 H ALA 35 H ALA 35 11.347 13.151 1.237 232 HA ALA 35 HA ALA 35 12.868 15.057 -0.392 233 HB1 ALA 35 1HB ALA 35 12.185 16.742 1.230 234 HB2 ALA 35 2HB ALA 35 11.408 15.500 2.212 235 HB3 ALA 35 3HB ALA 35 10.784 15.872 0.604 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -10.668 2.989 -5.195 2 H2 GLY 1 2HT GLY 1 -10.267 4.495 -5.852 3 H3 GLY 1 3HT GLY 1 -11.518 3.582 -6.533 4 HA2 GLY 1 1HA GLY 1 -12.425 5.383 -5.217 5 HA3 GLY 1 2HA GLY 1 -12.839 3.818 -4.533 6 H TRP 2 H TRP 2 -11.546 3.038 -2.729 7 HA TRP 2 HA TRP 2 -10.778 5.240 -0.961 8 HB2 TRP 2 2HB TRP 2 -11.385 2.330 -0.398 9 HB3 TRP 2 1HB TRP 2 -10.863 3.478 0.828 10 HD1 TRP 2 HD TRP 2 -13.858 2.685 -1.438 11 HE1 TRP 2 1HE TRP 2 -15.949 3.827 -0.468 12 HE3 TRP 2 3HE TRP 2 -11.654 5.403 2.305 13 HZ2 TRP 2 2HZ TRP 2 -16.585 5.634 1.600 14 HZ3 TRP 2 3HZ TRP 2 -13.081 6.811 3.730 15 HH2 TRP 2 HH TRP 2 -15.494 6.923 3.383 16 H CYS 3 H CYS 3 -8.820 5.315 0.135 17 HA CYS 3 HA CYS 3 -6.704 3.557 -0.922 18 HB2 CYS 3 2HB CYS 3 -6.582 6.484 -0.197 19 HB3 CYS 3 1HB CYS 3 -5.151 5.498 -0.473 20 H GLY 4 H GLY 4 -5.077 2.873 0.466 21 HA2 GLY 4 2HA GLY 4 -5.869 2.758 3.278 22 HA3 GLY 4 1HA GLY 4 -4.665 1.749 2.493 23 H ASP 5 H ASP 5 -4.371 3.081 4.992 24 HA ASP 5 HA ASP 5 -2.672 5.388 4.584 25 HB2 ASP 5 2HB ASP 5 -3.526 3.840 7.031 26 HB3 ASP 5 1HB ASP 5 -2.366 5.161 7.113 27 HA HYP 6 HA HYP 6 1.349 3.441 4.343 28 HB2 HYP 6 2HB HYP 6 2.283 5.006 6.698 29 HB3 HYP 6 1HB HYP 6 2.949 4.935 5.054 30 HG HYP 6 2HG HYP 6 1.629 7.089 5.877 31 HD22 HYP 6 1HD HYP 6 -0.748 6.468 4.729 32 HD23 HYP 6 2HD HYP 6 -0.453 6.250 6.466 33 HD1 HYP 6 1HG HYP 6 2.370 6.393 3.622 34 H GLY 7 H GLY 7 1.790 1.450 4.945 35 HA2 GLY 7 2HA GLY 7 2.735 -0.021 6.650 36 HA3 GLY 7 1HA GLY 7 1.642 0.724 7.806 37 H ALA 8 H ALA 8 0.184 0.229 4.795 38 HA ALA 8 HA ALA 8 -1.404 -1.986 5.842 39 HB1 ALA 8 1HB ALA 8 -2.574 -0.030 4.931 40 HB2 ALA 8 2HB ALA 8 -2.944 -1.491 4.015 41 HB3 ALA 8 3HB ALA 8 -1.811 -0.306 3.366 42 H THR 9 H THR 9 -1.825 -3.888 4.598 43 HA THR 9 HA THR 9 0.508 -4.886 3.230 44 HB THR 9 HB THR 9 -2.015 -6.482 3.280 45 HG1 THR 9 1HG THR 9 -2.126 -5.758 5.355 46 HG21 THR 9 3HG2 THR 9 -0.458 -8.292 3.851 47 HG22 THR 9 1HG2 THR 9 0.869 -7.133 3.918 48 HG23 THR 9 2HG2 THR 9 0.052 -7.450 2.388 49 H CYS 10 H CYS 10 0.870 -4.947 1.126 50 HA CYS 10 HA CYS 10 -1.377 -4.525 -0.736 51 HB2 CYS 10 2HB CYS 10 0.201 -2.611 -0.643 52 HB3 CYS 10 1HB CYS 10 1.510 -3.691 -1.108 53 H GLY 11 H GLY 11 -1.759 -6.090 -2.151 54 HA2 GLY 11 2HA GLY 11 0.112 -7.581 -3.578 55 HA3 GLY 11 1HA GLY 11 -0.296 -8.519 -2.149 56 H LYS 12 H LYS 12 -2.947 -8.085 -1.830 57 HA LYS 12 HA LYS 12 -4.081 -9.474 -4.134 58 HB2 LYS 12 2HB LYS 12 -5.015 -9.058 -1.298 59 HB3 LYS 12 1HB LYS 12 -6.076 -9.717 -2.536 60 HG2 LYS 12 2HG LYS 12 -4.499 -11.562 -2.892 61 HG3 LYS 12 1HG LYS 12 -3.464 -10.906 -1.621 62 HD2 LYS 12 2HD LYS 12 -5.264 -11.197 0.005 63 HD3 LYS 12 1HD LYS 12 -6.317 -11.825 -1.263 64 HE2 LYS 12 2HE LYS 12 -5.486 -13.717 -0.129 65 HE3 LYS 12 1HE LYS 12 -4.571 -13.622 -1.633 66 HZ1 LYS 12 3HZ LYS 12 -2.751 -12.593 -0.419 67 HZ2 LYS 12 1HZ LYS 12 -3.134 -14.102 0.245 68 HZ3 LYS 12 2HZ LYS 12 -3.629 -12.685 1.024 69 H LEU 13 H LEU 13 -6.197 -8.871 -4.975 70 HA LEU 13 HA LEU 13 -6.426 -5.989 -5.261 71 HB2 LEU 13 2HB LEU 13 -7.784 -8.280 -6.681 72 HB3 LEU 13 1HB LEU 13 -8.148 -6.597 -7.004 73 HG LEU 13 HG LEU 13 -5.532 -6.469 -7.428 74 HD11 LEU 13 1HD1 LEU 13 -6.187 -9.347 -8.052 75 HD12 LEU 13 2HD1 LEU 13 -5.073 -8.780 -6.808 76 HD13 LEU 13 3HD1 LEU 13 -4.708 -8.502 -8.510 77 HD21 LEU 13 3HD2 LEU 13 -5.979 -6.854 -9.807 78 HD22 LEU 13 1HD2 LEU 13 -7.246 -5.890 -9.047 79 HD23 LEU 13 2HD2 LEU 13 -7.523 -7.598 -9.391 80 H ARG 14 H ARG 14 -7.300 -5.236 -3.396 81 HA ARG 14 HA ARG 14 -10.154 -5.725 -3.006 82 HB2 ARG 14 2HB ARG 14 -8.063 -6.024 -0.848 83 HB3 ARG 14 1HB ARG 14 -9.753 -5.709 -0.479 84 HG2 ARG 14 2HG ARG 14 -10.371 -7.782 -1.659 85 HG3 ARG 14 1HG ARG 14 -8.662 -8.104 -1.946 86 HD2 ARG 14 2HD ARG 14 -9.231 -9.381 -0.052 87 HD3 ARG 14 1HD ARG 14 -8.363 -7.979 0.571 88 HE ARG 14 HE ARG 14 -11.039 -7.306 0.630 89 HH11 ARG 14 2HH1 ARG 14 -9.038 -9.775 2.124 90 HH12 ARG 14 1HH1 ARG 14 -10.041 -9.899 3.531 91 HH21 ARG 14 1HH2 ARG 14 -12.337 -7.485 2.480 92 HH22 ARG 14 2HH2 ARG 14 -11.907 -8.602 3.731 93 H LEU 15 H LEU 15 -7.307 -3.849 -2.007 94 HA LEU 15 HA LEU 15 -8.926 -1.400 -2.128 95 HB2 LEU 15 2HB LEU 15 -8.311 -2.363 0.259 96 HB3 LEU 15 1HB LEU 15 -6.753 -1.639 -0.082 97 HG LEU 15 HG LEU 15 -9.243 0.023 -0.311 98 HD11 LEU 15 1HD1 LEU 15 -7.730 -0.496 2.244 99 HD12 LEU 15 2HD1 LEU 15 -9.354 -1.081 1.880 100 HD13 LEU 15 3HD1 LEU 15 -9.051 0.650 2.021 101 HD21 LEU 15 3HD2 LEU 15 -6.398 0.669 0.468 102 HD22 LEU 15 1HD2 LEU 15 -7.717 1.827 0.289 103 HD23 LEU 15 2HD2 LEU 15 -7.120 0.946 -1.118 104 H TYR 16 H TYR 16 -7.894 0.383 -2.953 105 HA TYR 16 HA TYR 16 -5.251 -0.100 -4.152 106 HB2 TYR 16 2HB TYR 16 -7.481 1.792 -4.920 107 HB3 TYR 16 1HB TYR 16 -5.880 1.843 -5.647 108 HD1 TYR 16 2HD TYR 16 -9.021 -0.022 -5.412 109 HD2 TYR 16 1HD TYR 16 -5.153 0.095 -7.177 110 HE1 TYR 16 2HE TYR 16 -9.721 -1.726 -7.041 111 HE2 TYR 16 1HE TYR 16 -5.841 -1.608 -8.812 112 HH TYR 16 HH TYR 16 -7.522 -3.388 -9.020 113 H CYS 17 H CYS 17 -3.540 1.115 -3.614 114 HA CYS 17 HA CYS 17 -3.829 3.043 -1.461 115 HB2 CYS 17 2HB CYS 17 -1.452 1.731 -2.767 116 HB3 CYS 17 1HB CYS 17 -1.268 3.051 -1.617 117 H CYS 18 H CYS 18 -3.451 5.192 -1.568 118 HA CYS 18 HA CYS 18 -3.593 6.469 -4.130 119 HB2 CYS 18 2HB CYS 18 -3.659 7.361 -1.290 120 HB3 CYS 18 1HB CYS 18 -3.269 8.558 -2.519 121 H SER 19 H SER 19 -0.981 5.224 -2.523 122 HA SER 19 HA SER 19 0.910 7.334 -3.202 123 HB2 SER 19 2HB SER 19 1.084 6.020 -1.063 124 HB3 SER 19 1HB SER 19 1.495 4.606 -2.032 125 HG SER 19 HG SER 19 3.383 5.534 -2.612 126 H GLY 20 H GLY 20 -0.155 4.222 -4.399 127 HA2 GLY 20 2HA GLY 20 0.099 3.376 -6.551 128 HA3 GLY 20 1HA GLY 20 1.245 4.657 -6.897 129 H PHE 21 H PHE 21 2.948 4.015 -4.583 130 HA PHE 21 HA PHE 21 4.404 1.814 -5.815 131 HB2 PHE 21 2HB PHE 21 5.759 3.726 -5.470 132 HB3 PHE 21 1HB PHE 21 5.165 3.959 -3.835 133 HD1 PHE 21 1HD PHE 21 7.000 1.354 -5.821 134 HD2 PHE 21 2HD PHE 21 6.586 3.422 -2.119 135 HE1 PHE 21 1HE PHE 21 8.947 0.143 -4.924 136 HE2 PHE 21 2HE PHE 21 8.534 2.217 -1.228 137 HZ PHE 21 HZ PHE 21 9.711 0.579 -2.624 138 H CYS 22 H CYS 22 4.283 -0.160 -5.105 139 HA CYS 22 HA CYS 22 3.610 -0.672 -2.285 140 HB2 CYS 22 2HB CYS 22 2.871 -2.130 -4.804 141 HB3 CYS 22 1HB CYS 22 2.928 -2.992 -3.270 142 H ASP 23 H ASP 23 5.149 -1.568 -1.094 143 HA ASP 23 HA ASP 23 7.601 -2.489 -2.333 144 HB2 ASP 23 2HB ASP 23 6.906 -1.307 0.146 145 HB3 ASP 23 1HB ASP 23 7.592 -2.889 0.508 146 H SER 24 H SER 24 8.025 -4.510 -2.827 147 HA SER 24 HA SER 24 6.286 -6.662 -1.942 148 HB2 SER 24 2HB SER 24 8.577 -6.651 -3.919 149 HB3 SER 24 1HB SER 24 7.501 -8.015 -3.617 150 HG SER 24 HG SER 24 7.073 -5.711 -5.061 151 H TYR 25 H TYR 25 9.187 -5.309 -0.887 152 HA TYR 25 HA TYR 25 10.526 -7.691 0.000 153 HB2 TYR 25 2HB TYR 25 11.483 -5.294 -0.482 154 HB3 TYR 25 1HB TYR 25 11.041 -4.988 1.193 155 HD1 TYR 25 1HD TYR 25 13.283 -6.836 -1.039 156 HD2 TYR 25 2HD TYR 25 12.228 -6.077 3.012 157 HE1 TYR 25 1HE TYR 25 15.394 -7.860 -0.304 158 HE2 TYR 25 2HE TYR 25 14.337 -7.098 3.758 159 HH TYR 25 HH TYR 25 16.004 -8.699 2.928 160 H THR 26 H THR 26 7.981 -5.744 1.206 161 HA THR 26 HA THR 26 7.913 -7.296 3.694 162 HB THR 26 HB THR 26 7.113 -5.211 4.898 163 HG1 THR 26 1HG THR 26 7.426 -3.262 3.952 164 HG21 THR 26 3HG2 THR 26 9.380 -4.363 5.317 165 HG22 THR 26 1HG2 THR 26 9.963 -5.224 3.891 166 HG23 THR 26 2HG2 THR 26 9.347 -6.126 5.277 167 H LYS 27 H LYS 27 6.382 -6.396 0.924 168 HA LYS 27 HA LYS 27 4.276 -6.456 0.089 169 HB2 LYS 27 2HB LYS 27 3.884 -8.233 2.501 170 HB3 LYS 27 1HB LYS 27 2.619 -7.961 1.312 171 HG2 LYS 27 2HG LYS 27 4.041 -8.894 -0.433 172 HG3 LYS 27 1HG LYS 27 5.333 -9.140 0.743 173 HD2 LYS 27 2HD LYS 27 3.880 -10.661 2.006 174 HD3 LYS 27 1HD LYS 27 2.602 -10.423 0.813 175 HE2 LYS 27 2HE LYS 27 4.050 -11.361 -0.922 176 HE3 LYS 27 1HE LYS 27 5.328 -11.596 0.270 177 HZ1 LYS 27 3HZ LYS 27 4.102 -13.637 -0.137 178 HZ2 LYS 27 1HZ LYS 27 2.656 -12.891 0.329 179 HZ3 LYS 27 2HZ LYS 27 3.890 -13.125 1.462 180 H THR 28 H THR 28 4.754 -4.113 1.210 181 HA THR 28 HA THR 28 2.162 -3.343 2.357 182 HB THR 28 HB THR 28 3.390 -1.696 3.860 183 HG1 THR 28 1HG THR 28 5.555 -2.664 4.447 184 HG21 THR 28 3HG2 THR 28 2.253 -3.666 4.752 185 HG22 THR 28 1HG2 THR 28 3.742 -3.347 5.642 186 HG23 THR 28 2HG2 THR 28 3.689 -4.644 4.448 187 H CYS 29 H CYS 29 1.652 -1.096 2.156 188 HA CYS 29 HA CYS 29 2.547 0.002 -0.358 189 HB2 CYS 29 2HB CYS 29 0.350 0.573 1.574 190 HB3 CYS 29 1HB CYS 29 0.831 1.846 0.463 191 H LYS 30 H LYS 30 4.054 1.490 -0.636 192 HA LYS 30 HA LYS 30 4.792 3.254 1.605 193 HB2 LYS 30 2HB LYS 30 6.649 1.663 -0.165 194 HB3 LYS 30 1HB LYS 30 7.194 3.026 0.801 195 HG2 LYS 30 2HG LYS 30 6.214 1.755 2.798 196 HG3 LYS 30 1HG LYS 30 6.176 0.363 1.713 197 HD2 LYS 30 2HD LYS 30 8.577 0.592 1.325 198 HD3 LYS 30 1HD LYS 30 8.621 1.993 2.397 199 HE2 LYS 30 2HE LYS 30 7.887 0.591 4.260 200 HE3 LYS 30 1HE LYS 30 7.831 -0.809 3.189 201 HZ1 LYS 30 3HZ LYS 30 10.260 0.758 3.875 202 HZ2 LYS 30 1HZ LYS 30 10.214 -0.571 2.828 203 HZ3 LYS 30 2HZ LYS 30 9.869 -0.777 4.470 204 H ASP 31 H ASP 31 6.002 5.192 0.927 205 HA ASP 31 HA ASP 31 4.888 6.300 -1.522 206 HB2 ASP 31 2HB ASP 31 6.408 7.527 0.782 207 HB3 ASP 31 1HB ASP 31 5.949 8.439 -0.652 208 H LYS 32 H LYS 32 6.059 7.063 -3.252 209 HA LYS 32 HA LYS 32 8.761 5.982 -3.527 210 HB2 LYS 32 2HB LYS 32 6.710 5.834 -5.227 211 HB3 LYS 32 1HB LYS 32 7.375 7.364 -5.776 212 HG2 LYS 32 2HG LYS 32 9.529 6.289 -6.186 213 HG3 LYS 32 1HG LYS 32 8.869 4.752 -5.623 214 HD2 LYS 32 2HD LYS 32 7.225 4.795 -7.436 215 HD3 LYS 32 1HD LYS 32 7.879 6.337 -7.994 216 HE2 LYS 32 2HE LYS 32 10.036 5.265 -8.420 217 HE3 LYS 32 1HE LYS 32 9.387 3.727 -7.853 218 HZ1 LYS 32 3HZ LYS 32 9.364 3.846 -10.258 219 HZ2 LYS 32 1HZ LYS 32 8.427 5.254 -10.213 220 HZ3 LYS 32 2HZ LYS 32 7.781 3.790 -9.667 221 H SER 33 H SER 33 10.546 7.207 -4.077 222 HA SER 33 HA SER 33 10.250 10.134 -3.962 223 HB2 SER 33 2HB SER 33 11.113 9.187 -1.804 224 HB3 SER 33 1HB SER 33 12.514 8.582 -2.686 225 HG SER 33 HG SER 33 12.361 11.081 -3.349 226 H SER 34 H SER 34 12.293 7.412 -4.974 227 HA SER 34 HA SER 34 13.631 9.134 -6.940 228 HB2 SER 34 2HB SER 34 15.022 7.736 -5.380 229 HB3 SER 34 1HB SER 34 14.348 6.301 -6.151 230 HG SER 34 HG SER 34 15.830 6.544 -7.603 231 H ALA 35 H ALA 35 13.515 8.767 -9.106 232 HA ALA 35 HA ALA 35 11.455 6.881 -10.003 233 HB1 ALA 35 1HB ALA 35 11.322 8.233 -12.027 234 HB2 ALA 35 2HB ALA 35 12.650 9.242 -11.454 235 HB3 ALA 35 3HB ALA 35 11.113 9.234 -10.590 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -12.718 3.656 -7.003 2 H2 GLY 1 2HT GLY 1 -11.293 3.877 -6.120 3 H3 GLY 1 3HT GLY 1 -12.525 5.032 -6.038 4 HA2 GLY 1 1HA GLY 1 -13.996 3.434 -4.974 5 HA3 GLY 1 2HA GLY 1 -12.714 2.236 -5.058 6 H TRP 2 H TRP 2 -11.948 1.891 -3.093 7 HA TRP 2 HA TRP 2 -11.773 4.092 -1.171 8 HB2 TRP 2 2HB TRP 2 -11.534 1.096 -0.852 9 HB3 TRP 2 1HB TRP 2 -11.236 2.234 0.458 10 HD1 TRP 2 HD TRP 2 -14.062 0.766 -1.654 11 HE1 TRP 2 1HE TRP 2 -16.310 1.283 -0.514 12 HE3 TRP 2 3HE TRP 2 -12.412 3.914 2.037 13 HZ2 TRP 2 2HZ TRP 2 -17.261 2.815 1.653 14 HZ3 TRP 2 3HZ TRP 2 -14.061 4.859 3.598 15 HH2 TRP 2 HH TRP 2 -16.434 4.321 3.408 16 H CYS 3 H CYS 3 -9.907 4.921 -0.440 17 HA CYS 3 HA CYS 3 -7.416 3.937 -1.644 18 HB2 CYS 3 2HB CYS 3 -8.251 6.384 -1.850 19 HB3 CYS 3 1HB CYS 3 -7.705 6.551 -0.186 20 H GLY 4 H GLY 4 -5.725 3.237 -0.443 21 HA2 GLY 4 2HA GLY 4 -6.221 2.810 2.415 22 HA3 GLY 4 1HA GLY 4 -5.042 1.956 1.432 23 H ASP 5 H ASP 5 -4.879 3.436 4.032 24 HA ASP 5 HA ASP 5 -3.182 5.717 3.523 25 HB2 ASP 5 2HB ASP 5 -4.070 4.294 6.032 26 HB3 ASP 5 1HB ASP 5 -2.918 5.623 6.070 27 HA HYP 6 HA HYP 6 0.887 3.849 3.473 28 HB2 HYP 6 2HB HYP 6 1.709 5.516 5.800 29 HB3 HYP 6 1HB HYP 6 2.440 5.389 4.187 30 HG HYP 6 2HG HYP 6 1.058 7.552 4.861 31 HD22 HYP 6 1HD HYP 6 -1.270 6.837 3.666 32 HD23 HYP 6 2HD HYP 6 -1.028 6.706 5.421 33 HD1 HYP 6 1HG HYP 6 0.121 7.118 2.464 34 H GLY 7 H GLY 7 1.543 1.948 4.192 35 HA2 GLY 7 2HA GLY 7 2.428 0.549 5.950 36 HA3 GLY 7 1HA GLY 7 1.297 1.306 7.060 37 H ALA 8 H ALA 8 -0.081 0.622 4.040 38 HA ALA 8 HA ALA 8 -1.610 -1.597 5.174 39 HB1 ALA 8 1HB ALA 8 -2.846 0.292 4.222 40 HB2 ALA 8 2HB ALA 8 -3.178 -1.205 3.351 41 HB3 ALA 8 3HB ALA 8 -2.089 -0.003 2.657 42 H THR 9 H THR 9 -1.998 -3.530 3.997 43 HA THR 9 HA THR 9 0.326 -4.516 2.592 44 HB THR 9 HB THR 9 -2.202 -6.109 2.935 45 HG1 THR 9 1HG THR 9 -1.103 -6.669 5.063 46 HG21 THR 9 3HG2 THR 9 -0.622 -7.958 3.281 47 HG22 THR 9 1HG2 THR 9 0.729 -6.835 3.127 48 HG23 THR 9 2HG2 THR 9 -0.322 -7.146 1.744 49 H CYS 10 H CYS 10 0.509 -5.028 0.464 50 HA CYS 10 HA CYS 10 -1.586 -4.055 -1.333 51 HB2 CYS 10 2HB CYS 10 1.274 -4.859 -1.907 52 HB3 CYS 10 1HB CYS 10 0.154 -4.177 -3.080 53 H GLY 11 H GLY 11 -2.307 -5.269 -3.143 54 HA2 GLY 11 2HA GLY 11 -1.641 -7.841 -3.878 55 HA3 GLY 11 1HA GLY 11 -2.799 -8.027 -2.570 56 H LYS 12 H LYS 12 -4.135 -9.091 -4.168 57 HA LYS 12 HA LYS 12 -5.354 -7.344 -6.179 58 HB2 LYS 12 2HB LYS 12 -5.392 -10.327 -5.758 59 HB3 LYS 12 1HB LYS 12 -6.503 -9.535 -6.868 60 HG2 LYS 12 2HG LYS 12 -4.600 -8.648 -8.129 61 HG3 LYS 12 1HG LYS 12 -3.496 -9.468 -7.024 62 HD2 LYS 12 2HD LYS 12 -4.427 -11.628 -7.682 63 HD3 LYS 12 1HD LYS 12 -5.560 -10.817 -8.765 64 HE2 LYS 12 2HE LYS 12 -3.799 -11.576 -10.135 65 HE3 LYS 12 1HE LYS 12 -3.536 -9.847 -9.935 66 HZ1 LYS 12 3HZ LYS 12 -1.886 -10.332 -8.235 67 HZ2 LYS 12 1HZ LYS 12 -1.479 -11.085 -9.694 68 HZ3 LYS 12 2HZ LYS 12 -2.139 -11.992 -8.429 69 H LEU 13 H LEU 13 -6.255 -9.409 -3.431 70 HA LEU 13 HA LEU 13 -8.997 -8.406 -3.485 71 HB2 LEU 13 2HB LEU 13 -7.631 -10.508 -1.803 72 HB3 LEU 13 1HB LEU 13 -9.297 -10.020 -1.565 73 HG LEU 13 HG LEU 13 -9.488 -10.660 -4.133 74 HD11 LEU 13 1HD1 LEU 13 -7.124 -11.173 -4.426 75 HD12 LEU 13 2HD1 LEU 13 -8.115 -12.611 -4.664 76 HD13 LEU 13 3HD1 LEU 13 -7.223 -12.397 -3.159 77 HD21 LEU 13 3HD2 LEU 13 -9.438 -12.655 -1.873 78 HD22 LEU 13 1HD2 LEU 13 -10.219 -12.896 -3.435 79 HD23 LEU 13 2HD2 LEU 13 -10.801 -11.640 -2.342 80 H ARG 14 H ARG 14 -6.124 -7.387 -2.249 81 HA ARG 14 HA ARG 14 -7.134 -6.372 0.293 82 HB2 ARG 14 2HB ARG 14 -4.415 -6.416 -1.011 83 HB3 ARG 14 1HB ARG 14 -4.730 -5.466 0.435 84 HG2 ARG 14 2HG ARG 14 -5.063 -7.349 1.754 85 HG3 ARG 14 1HG ARG 14 -5.383 -8.385 0.362 86 HD2 ARG 14 2HD ARG 14 -3.070 -8.316 -0.287 87 HD3 ARG 14 1HD ARG 14 -2.710 -7.129 0.964 88 HE ARG 14 HE ARG 14 -3.715 -9.252 2.339 89 HH11 ARG 14 1HH1 ARG 14 -1.067 -8.905 0.058 90 HH12 ARG 14 2HH1 ARG 14 -0.145 -10.194 0.755 91 HH21 ARG 14 1HH2 ARG 14 -2.490 -10.936 3.236 92 HH22 ARG 14 2HH2 ARG 14 -0.952 -11.342 2.553 93 H LEU 15 H LEU 15 -6.406 -4.010 0.796 94 HA LEU 15 HA LEU 15 -7.758 -2.287 -1.058 95 HB2 LEU 15 2HB LEU 15 -7.282 -2.260 1.656 96 HB3 LEU 15 1HB LEU 15 -6.226 -0.990 1.075 97 HG LEU 15 HG LEU 15 -9.126 -1.025 0.291 98 HD11 LEU 15 1HD1 LEU 15 -9.082 -1.214 2.720 99 HD12 LEU 15 2HD1 LEU 15 -9.618 0.389 2.217 100 HD13 LEU 15 3HD1 LEU 15 -7.974 0.156 2.813 101 HD21 LEU 15 3HD2 LEU 15 -7.056 1.150 0.604 102 HD22 LEU 15 1HD2 LEU 15 -8.754 1.426 0.214 103 HD23 LEU 15 2HD2 LEU 15 -7.726 0.534 -0.906 104 H TYR 16 H TYR 16 -6.912 -0.408 -2.065 105 HA TYR 16 HA TYR 16 -4.253 -0.765 -3.141 106 HB2 TYR 16 2HB TYR 16 -6.458 1.217 -3.721 107 HB3 TYR 16 1HB TYR 16 -4.889 1.269 -4.519 108 HD1 TYR 16 2HD TYR 16 -4.264 -0.424 -6.149 109 HD2 TYR 16 1HD TYR 16 -8.055 -0.544 -4.223 110 HE1 TYR 16 2HE TYR 16 -5.058 -2.040 -7.825 111 HE2 TYR 16 1HE TYR 16 -8.859 -2.161 -5.892 112 HH TYR 16 HH TYR 16 -8.331 -2.850 -8.192 113 H CYS 17 H CYS 17 -2.705 1.013 -3.298 114 HA CYS 17 HA CYS 17 -2.437 2.401 -0.745 115 HB2 CYS 17 2HB CYS 17 -0.451 2.143 -3.008 116 HB3 CYS 17 1HB CYS 17 -0.120 2.760 -1.395 117 H CYS 18 H CYS 18 -2.382 4.578 -0.491 118 HA CYS 18 HA CYS 18 -3.553 6.227 -2.515 119 HB2 CYS 18 2HB CYS 18 -2.465 6.784 0.236 120 HB3 CYS 18 1HB CYS 18 -3.054 8.073 -0.807 121 H SER 19 H SER 19 -0.340 5.332 -1.834 122 HA SER 19 HA SER 19 0.832 7.728 -3.030 123 HB2 SER 19 2HB SER 19 2.147 5.284 -1.820 124 HB3 SER 19 1HB SER 19 2.998 6.712 -2.411 125 HG SER 19 HG SER 19 0.974 6.928 -0.460 126 H GLY 20 H GLY 20 0.151 4.384 -3.778 127 HA2 GLY 20 2HA GLY 20 -0.069 3.576 -5.991 128 HA3 GLY 20 1HA GLY 20 0.996 4.857 -6.542 129 H PHE 21 H PHE 21 2.881 4.103 -4.244 130 HA PHE 21 HA PHE 21 4.274 2.013 -5.736 131 HB2 PHE 21 2HB PHE 21 5.644 3.919 -5.358 132 HB3 PHE 21 1HB PHE 21 5.182 4.017 -3.669 133 HD1 PHE 21 1HD PHE 21 6.774 1.476 -5.944 134 HD2 PHE 21 2HD PHE 21 6.817 3.457 -2.173 135 HE1 PHE 21 1HE PHE 21 8.778 0.204 -5.294 136 HE2 PHE 21 2HE PHE 21 8.821 2.191 -1.529 137 HZ PHE 21 HZ PHE 21 9.799 0.566 -3.082 138 H CYS 22 H CYS 22 4.294 0.005 -5.122 139 HA CYS 22 HA CYS 22 3.698 -0.689 -2.321 140 HB2 CYS 22 2HB CYS 22 2.958 -1.997 -4.917 141 HB3 CYS 22 1HB CYS 22 3.129 -2.985 -3.471 142 H ASP 23 H ASP 23 5.290 -1.610 -1.207 143 HA ASP 23 HA ASP 23 7.704 -2.475 -2.588 144 HB2 ASP 23 2HB ASP 23 7.165 -1.272 -0.080 145 HB3 ASP 23 1HB ASP 23 7.861 -2.855 0.254 146 H SER 24 H SER 24 8.179 -4.507 -3.005 147 HA SER 24 HA SER 24 6.400 -6.637 -2.199 148 HB2 SER 24 2HB SER 24 7.309 -6.406 -4.521 149 HB3 SER 24 1HB SER 24 8.903 -6.815 -3.889 150 HG SER 24 HG SER 24 7.457 -8.561 -4.792 151 H TYR 25 H TYR 25 9.139 -5.283 -0.821 152 HA TYR 25 HA TYR 25 10.485 -7.609 0.140 153 HB2 TYR 25 2HB TYR 25 11.274 -5.102 -0.026 154 HB3 TYR 25 1HB TYR 25 10.594 -4.991 1.592 155 HD1 TYR 25 1HD TYR 25 13.262 -6.443 -0.457 156 HD2 TYR 25 2HD TYR 25 11.631 -6.143 3.461 157 HE1 TYR 25 1HE TYR 25 15.345 -7.362 0.474 158 HE2 TYR 25 2HE TYR 25 13.709 -7.061 4.403 159 HH TYR 25 HH TYR 25 15.606 -8.447 3.676 160 H THR 26 H THR 26 7.754 -5.760 1.216 161 HA THR 26 HA THR 26 7.303 -7.649 3.410 162 HB THR 26 HB THR 26 6.479 -5.721 4.840 163 HG1 THR 26 1HG THR 26 6.407 -4.097 3.262 164 HG21 THR 26 3HG2 THR 26 9.429 -5.789 4.183 165 HG22 THR 26 1HG2 THR 26 8.595 -6.855 5.314 166 HG23 THR 26 2HG2 THR 26 8.716 -5.130 5.657 167 H LYS 27 H LYS 27 6.187 -6.313 0.648 168 HA LYS 27 HA LYS 27 4.203 -6.082 -0.422 169 HB2 LYS 27 2HB LYS 27 3.385 -8.080 1.692 170 HB3 LYS 27 1HB LYS 27 2.294 -7.557 0.416 171 HG2 LYS 27 2HG LYS 27 3.858 -8.398 -1.266 172 HG3 LYS 27 1HG LYS 27 4.948 -8.927 0.017 173 HD2 LYS 27 2HD LYS 27 3.216 -10.433 0.867 174 HD3 LYS 27 1HD LYS 27 2.124 -9.901 -0.413 175 HE2 LYS 27 2HE LYS 27 3.684 -10.757 -2.094 176 HE3 LYS 27 1HE LYS 27 4.773 -11.289 -0.814 177 HZ1 LYS 27 3HZ LYS 27 3.049 -12.785 -0.019 178 HZ2 LYS 27 1HZ LYS 27 3.424 -13.111 -1.637 179 HZ3 LYS 27 2HZ LYS 27 2.006 -12.275 -1.249 180 H THR 28 H THR 28 4.675 -3.903 0.898 181 HA THR 28 HA THR 28 2.061 -3.079 1.967 182 HB THR 28 HB THR 28 3.287 -1.647 3.680 183 HG1 THR 28 1HG THR 28 5.374 -2.059 4.079 184 HG21 THR 28 3HG2 THR 28 3.443 -3.471 5.317 185 HG22 THR 28 1HG2 THR 28 3.387 -4.649 4.007 186 HG23 THR 28 2HG2 THR 28 1.993 -3.617 4.324 187 H CYS 29 H CYS 29 1.865 -0.699 2.169 188 HA CYS 29 HA CYS 29 2.674 0.558 -0.291 189 HB2 CYS 29 2HB CYS 29 1.164 1.772 2.026 190 HB3 CYS 29 1HB CYS 29 1.212 2.348 0.370 191 H LYS 30 H LYS 30 4.273 1.989 -0.605 192 HA LYS 30 HA LYS 30 5.482 3.355 1.693 193 HB2 LYS 30 2HB LYS 30 6.970 1.663 -0.315 194 HB3 LYS 30 1HB LYS 30 7.768 2.883 0.666 195 HG2 LYS 30 2HG LYS 30 6.703 1.607 2.661 196 HG3 LYS 30 1HG LYS 30 6.543 0.291 1.494 197 HD2 LYS 30 2HD LYS 30 8.946 0.388 1.052 198 HD3 LYS 30 1HD LYS 30 9.109 1.707 2.213 199 HE2 LYS 30 2HE LYS 30 8.319 0.232 3.998 200 HE3 LYS 30 1HE LYS 30 8.153 -1.085 2.837 201 HZ1 LYS 30 3HZ LYS 30 10.693 0.280 3.556 202 HZ2 LYS 30 1HZ LYS 30 10.536 -0.984 2.441 203 HZ3 LYS 30 2HZ LYS 30 10.215 -1.257 4.079 204 H ASP 31 H ASP 31 6.781 5.208 1.124 205 HA ASP 31 HA ASP 31 5.766 6.586 -1.233 206 HB2 ASP 31 2HB ASP 31 7.369 7.513 1.154 207 HB3 ASP 31 1HB ASP 31 6.996 8.559 -0.213 208 H LYS 32 H LYS 32 7.069 7.498 -2.844 209 HA LYS 32 HA LYS 32 9.621 6.132 -3.245 210 HB2 LYS 32 2HB LYS 32 7.670 7.514 -5.028 211 HB3 LYS 32 1HB LYS 32 9.350 7.437 -5.539 212 HG2 LYS 32 2HG LYS 32 9.283 4.990 -5.326 213 HG3 LYS 32 1HG LYS 32 7.582 5.093 -4.874 214 HD2 LYS 32 2HD LYS 32 6.993 5.977 -7.015 215 HD3 LYS 32 1HD LYS 32 8.690 6.167 -7.463 216 HE2 LYS 32 2HE LYS 32 8.979 3.743 -7.405 217 HE3 LYS 32 1HE LYS 32 7.291 3.546 -6.938 218 HZ1 LYS 32 3HZ LYS 32 6.631 4.537 -9.042 219 HZ2 LYS 32 1HZ LYS 32 7.602 3.175 -9.302 220 HZ3 LYS 32 2HZ LYS 32 8.251 4.725 -9.489 221 H SER 33 H SER 33 8.310 9.427 -3.088 222 HA SER 33 HA SER 33 11.031 10.522 -3.125 223 HB2 SER 33 2HB SER 33 9.863 12.728 -3.410 224 HB3 SER 33 1HB SER 33 9.572 11.584 -4.719 225 HG SER 33 HG SER 33 7.836 12.484 -2.711 226 H SER 34 H SER 34 11.881 11.654 -1.446 227 HA SER 34 HA SER 34 10.249 11.927 0.991 228 HB2 SER 34 2HB SER 34 11.842 9.990 1.118 229 HB3 SER 34 1HB SER 34 13.171 11.135 0.950 230 HG SER 34 HG SER 34 11.396 10.760 3.091 231 H ALA 35 H ALA 35 13.109 13.051 -0.787 232 HA ALA 35 HA ALA 35 12.812 15.678 0.519 233 HB1 ALA 35 1HB ALA 35 15.221 15.991 0.345 234 HB2 ALA 35 2HB ALA 35 15.389 14.399 -0.393 235 HB3 ALA 35 3HB ALA 35 14.846 14.543 1.279 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -16.380 5.357 -4.388 2 H2 GLY 1 2HT GLY 1 -15.935 6.575 -3.301 3 H3 GLY 1 3HT GLY 1 -16.059 4.974 -2.772 4 HA2 GLY 1 1HA GLY 1 -14.214 4.325 -4.191 5 HA3 GLY 1 2HA GLY 1 -14.084 5.989 -4.741 6 H TRP 2 H TRP 2 -13.284 3.721 -2.301 7 HA TRP 2 HA TRP 2 -12.197 5.766 -0.510 8 HB2 TRP 2 2HB TRP 2 -12.456 2.765 -0.189 9 HB3 TRP 2 1HB TRP 2 -11.733 3.832 1.008 10 HD1 TRP 2 HD TRP 2 -13.347 5.239 2.538 11 HE1 TRP 2 1HE TRP 2 -15.890 5.196 2.931 12 HE3 TRP 2 3HE TRP 2 -14.753 2.351 -1.454 13 HZ2 TRP 2 2HZ TRP 2 -18.183 4.092 1.718 14 HZ3 TRP 2 3HZ TRP 2 -17.141 1.852 -1.759 15 HH2 TRP 2 HH TRP 2 -18.819 2.705 -0.205 16 H CYS 3 H CYS 3 -10.018 5.753 0.167 17 HA CYS 3 HA CYS 3 -8.169 4.448 -1.721 18 HB2 CYS 3 2HB CYS 3 -8.233 6.944 -1.858 19 HB3 CYS 3 1HB CYS 3 -7.688 7.012 -0.186 20 H GLY 4 H GLY 4 -6.182 3.659 -0.910 21 HA2 GLY 4 2HA GLY 4 -6.387 2.591 1.788 22 HA3 GLY 4 1HA GLY 4 -5.206 2.143 0.571 23 H ASP 5 H ASP 5 -5.157 3.070 3.499 24 HA ASP 5 HA ASP 5 -3.514 5.463 3.380 25 HB2 ASP 5 2HB ASP 5 -4.545 3.760 5.650 26 HB3 ASP 5 1HB ASP 5 -3.428 5.094 5.907 27 HA HYP 6 HA HYP 6 0.533 3.555 3.423 28 HB2 HYP 6 2HB HYP 6 1.298 5.080 5.852 29 HB3 HYP 6 1HB HYP 6 2.037 5.085 4.238 30 HG HYP 6 2HG HYP 6 0.624 7.175 5.087 31 HD22 HYP 6 1HD HYP 6 -1.674 6.562 3.800 32 HD23 HYP 6 2HD HYP 6 -1.458 6.239 5.534 33 HD1 HYP 6 1HG HYP 6 0.682 7.677 3.002 34 H GLY 7 H GLY 7 1.122 1.610 4.080 35 HA2 GLY 7 2HA GLY 7 1.943 0.175 5.869 36 HA3 GLY 7 1HA GLY 7 0.684 0.839 6.898 37 H ALA 8 H ALA 8 -0.377 0.261 3.729 38 HA ALA 8 HA ALA 8 -1.969 -2.018 4.609 39 HB1 ALA 8 1HB ALA 8 -3.283 -1.639 2.599 40 HB2 ALA 8 2HB ALA 8 -2.119 -0.437 2.042 41 HB3 ALA 8 3HB ALA 8 -3.080 -0.129 3.488 42 H THR 9 H THR 9 -2.144 -3.959 3.387 43 HA THR 9 HA THR 9 0.386 -4.845 2.275 44 HB THR 9 HB THR 9 -1.990 -6.653 2.303 45 HG1 THR 9 1HG THR 9 -0.969 -6.856 4.702 46 HG21 THR 9 3HG2 THR 9 0.897 -7.000 3.129 47 HG22 THR 9 1HG2 THR 9 0.191 -7.498 1.591 48 HG23 THR 9 2HG2 THR 9 -0.319 -8.276 3.090 49 H CYS 10 H CYS 10 0.823 -5.282 0.188 50 HA CYS 10 HA CYS 10 -1.255 -4.666 -1.798 51 HB2 CYS 10 2HB CYS 10 1.748 -4.818 -2.151 52 HB3 CYS 10 1HB CYS 10 0.587 -4.304 -3.371 53 H GLY 11 H GLY 11 -2.090 -6.207 -3.043 54 HA2 GLY 11 2HA GLY 11 -1.757 -8.109 -4.519 55 HA3 GLY 11 1HA GLY 11 -0.611 -8.745 -3.351 56 H LYS 12 H LYS 12 -2.301 -8.182 -1.039 57 HA LYS 12 HA LYS 12 -4.044 -10.509 -1.255 58 HB2 LYS 12 2HB LYS 12 -3.024 -8.904 1.080 59 HB3 LYS 12 1HB LYS 12 -4.281 -10.117 1.267 60 HG2 LYS 12 2HG LYS 12 -2.757 -11.823 0.387 61 HG3 LYS 12 1HG LYS 12 -1.494 -10.601 0.228 62 HD2 LYS 12 2HD LYS 12 -1.563 -10.214 2.642 63 HD3 LYS 12 1HD LYS 12 -2.836 -11.426 2.803 64 HE2 LYS 12 2HE LYS 12 -1.306 -13.136 1.944 65 HE3 LYS 12 1HE LYS 12 -0.036 -11.923 1.794 66 HZ1 LYS 12 3HZ LYS 12 -1.340 -12.752 4.330 67 HZ2 LYS 12 1HZ LYS 12 -0.117 -11.591 4.185 68 HZ3 LYS 12 2HZ LYS 12 0.206 -13.212 3.820 69 H LEU 13 H LEU 13 -4.272 -7.050 -0.542 70 HA LEU 13 HA LEU 13 -7.174 -7.233 -0.253 71 HB2 LEU 13 2HB LEU 13 -5.160 -5.063 0.269 72 HB3 LEU 13 1HB LEU 13 -6.860 -4.678 0.144 73 HG LEU 13 HG LEU 13 -6.213 -4.827 2.466 74 HD11 LEU 13 1HD1 LEU 13 -8.465 -5.695 1.719 75 HD12 LEU 13 2HD1 LEU 13 -7.904 -6.208 3.310 76 HD13 LEU 13 3HD1 LEU 13 -7.804 -7.315 1.941 77 HD21 LEU 13 3HD2 LEU 13 -5.321 -7.647 1.887 78 HD22 LEU 13 1HD2 LEU 13 -5.426 -6.912 3.488 79 HD23 LEU 13 2HD2 LEU 13 -4.286 -6.280 2.300 80 H ARG 14 H ARG 14 -8.605 -5.894 -1.462 81 HA ARG 14 HA ARG 14 -7.807 -5.618 -4.248 82 HB2 ARG 14 2HB ARG 14 -10.467 -5.491 -2.834 83 HB3 ARG 14 1HB ARG 14 -10.292 -5.073 -4.532 84 HG2 ARG 14 2HG ARG 14 -9.463 -7.316 -5.011 85 HG3 ARG 14 1HG ARG 14 -9.609 -7.738 -3.304 86 HD2 ARG 14 2HD ARG 14 -12.023 -7.333 -3.416 87 HD3 ARG 14 1HD ARG 14 -11.871 -6.921 -5.125 88 HE ARG 14 HE ARG 14 -10.785 -9.456 -4.794 89 HH11 ARG 14 1HH1 ARG 14 -13.945 -7.960 -4.462 90 HH12 ARG 14 2HH1 ARG 14 -14.802 -9.418 -4.833 91 HH21 ARG 14 1HH2 ARG 14 -11.927 -11.353 -5.278 92 HH22 ARG 14 2HH2 ARG 14 -13.659 -11.337 -5.296 93 H LEU 15 H LEU 15 -7.903 -3.632 -1.552 94 HA LEU 15 HA LEU 15 -8.568 -1.181 -2.975 95 HB2 LEU 15 2HB LEU 15 -9.469 -1.384 -0.759 96 HB3 LEU 15 1HB LEU 15 -7.906 -1.787 -0.092 97 HG LEU 15 HG LEU 15 -7.147 0.541 -0.500 98 HD11 LEU 15 1HD1 LEU 15 -8.640 1.084 -2.380 99 HD12 LEU 15 2HD1 LEU 15 -8.721 2.277 -1.084 100 HD13 LEU 15 3HD1 LEU 15 -10.012 1.088 -1.269 101 HD21 LEU 15 3HD2 LEU 15 -8.419 1.555 1.290 102 HD22 LEU 15 1HD2 LEU 15 -8.104 -0.141 1.657 103 HD23 LEU 15 2HD2 LEU 15 -9.699 0.361 1.092 104 H TYR 16 H TYR 16 -7.156 0.344 -3.607 105 HA TYR 16 HA TYR 16 -4.320 -0.337 -3.577 106 HB2 TYR 16 2HB TYR 16 -5.894 1.745 -5.104 107 HB3 TYR 16 1HB TYR 16 -4.145 1.580 -5.208 108 HD1 TYR 16 2HD TYR 16 -7.367 0.090 -6.108 109 HD2 TYR 16 1HD TYR 16 -3.139 -0.296 -6.379 110 HE1 TYR 16 2HE TYR 16 -7.641 -1.593 -7.880 111 HE2 TYR 16 1HE TYR 16 -3.401 -1.979 -8.153 112 HH TYR 16 HH TYR 16 -6.343 -2.526 -9.748 113 H CYS 17 H CYS 17 -2.693 1.193 -3.007 114 HA CYS 17 HA CYS 17 -3.451 2.835 -0.732 115 HB2 CYS 17 2HB CYS 17 -0.823 1.826 -1.780 116 HB3 CYS 17 1HB CYS 17 -0.896 3.069 -0.535 117 H CYS 18 H CYS 18 -3.216 4.986 -0.541 118 HA CYS 18 HA CYS 18 -3.531 6.653 -2.739 119 HB2 CYS 18 2HB CYS 18 -2.523 7.417 0.002 120 HB3 CYS 18 1HB CYS 18 -3.242 8.504 -1.180 121 H SER 19 H SER 19 -0.569 5.418 -1.440 122 HA SER 19 HA SER 19 1.115 7.522 -2.495 123 HB2 SER 19 2HB SER 19 1.827 4.828 -1.312 124 HB3 SER 19 1HB SER 19 2.981 6.099 -1.717 125 HG SER 19 HG SER 19 1.910 7.437 -0.194 126 H GLY 20 H GLY 20 -0.022 4.375 -3.533 127 HA2 GLY 20 2HA GLY 20 -0.070 3.553 -5.712 128 HA3 GLY 20 1HA GLY 20 0.988 4.862 -6.206 129 H PHE 21 H PHE 21 2.951 4.143 -4.042 130 HA PHE 21 HA PHE 21 4.356 2.112 -5.575 131 HB2 PHE 21 2HB PHE 21 5.678 4.028 -5.077 132 HB3 PHE 21 1HB PHE 21 5.206 4.011 -3.387 133 HD1 PHE 21 1HD PHE 21 6.840 1.620 -5.787 134 HD2 PHE 21 2HD PHE 21 6.876 3.438 -1.934 135 HE1 PHE 21 1HE PHE 21 8.877 0.363 -5.211 136 HE2 PHE 21 2HE PHE 21 8.914 2.187 -1.364 137 HZ PHE 21 HZ PHE 21 9.912 0.651 -2.996 138 H CYS 22 H CYS 22 4.360 0.067 -5.086 139 HA CYS 22 HA CYS 22 3.810 -0.788 -2.323 140 HB2 CYS 22 2HB CYS 22 3.059 -1.993 -4.970 141 HB3 CYS 22 1HB CYS 22 3.181 -3.006 -3.536 142 H ASP 23 H ASP 23 5.429 -1.728 -1.288 143 HA ASP 23 HA ASP 23 7.831 -2.502 -2.735 144 HB2 ASP 23 2HB ASP 23 7.300 -1.425 -0.169 145 HB3 ASP 23 1HB ASP 23 8.028 -3.009 0.083 146 H SER 24 H SER 24 8.322 -4.499 -3.267 147 HA SER 24 HA SER 24 6.621 -6.707 -2.487 148 HB2 SER 24 2HB SER 24 8.992 -6.600 -4.363 149 HB3 SER 24 1HB SER 24 7.926 -7.989 -4.149 150 HG SER 24 HG SER 24 6.554 -5.695 -4.665 151 H TYR 25 H TYR 25 9.446 -5.351 -1.252 152 HA TYR 25 HA TYR 25 10.820 -7.718 -0.410 153 HB2 TYR 25 2HB TYR 25 11.685 -5.255 -0.663 154 HB3 TYR 25 1HB TYR 25 11.108 -5.079 0.988 155 HD1 TYR 25 2HD TYR 25 12.209 -6.246 2.822 156 HD2 TYR 25 1HD TYR 25 13.609 -6.648 -1.175 157 HE1 TYR 25 2HE TYR 25 14.309 -7.211 3.661 158 HE2 TYR 25 1HE TYR 25 15.713 -7.614 -0.347 159 HH TYR 25 HH TYR 25 17.056 -7.611 1.714 160 H THR 26 H THR 26 8.141 -5.926 0.772 161 HA THR 26 HA THR 26 7.923 -7.695 3.099 162 HB THR 26 HB THR 26 7.045 -5.727 4.440 163 HG1 THR 26 1HG THR 26 6.918 -3.899 3.399 164 HG21 THR 26 3HG2 THR 26 9.249 -6.690 4.875 165 HG22 THR 26 1HG2 THR 26 9.279 -4.939 5.089 166 HG23 THR 26 2HG2 THR 26 9.956 -5.662 3.628 167 H LYS 27 H LYS 27 6.584 -6.571 0.325 168 HA LYS 27 HA LYS 27 4.538 -6.545 -0.653 169 HB2 LYS 27 2HB LYS 27 3.981 -8.491 1.590 170 HB3 LYS 27 1HB LYS 27 2.794 -8.119 0.346 171 HG2 LYS 27 2HG LYS 27 4.331 -8.929 -1.370 172 HG3 LYS 27 1HG LYS 27 5.531 -9.288 -0.128 173 HD2 LYS 27 2HD LYS 27 3.982 -10.883 0.903 174 HD3 LYS 27 1HD LYS 27 2.786 -10.525 -0.346 175 HE2 LYS 27 2HE LYS 27 4.330 -11.346 -2.057 176 HE3 LYS 27 1HE LYS 27 5.528 -11.697 -0.811 177 HZ1 LYS 27 3HZ LYS 27 3.990 -13.286 0.166 178 HZ2 LYS 27 1HZ LYS 27 4.315 -13.681 -1.448 179 HZ3 LYS 27 2HZ LYS 27 2.845 -12.952 -1.034 180 H THR 28 H THR 28 5.040 -4.346 0.892 181 HA THR 28 HA THR 28 2.341 -3.606 1.809 182 HB THR 28 HB THR 28 3.434 -2.214 3.636 183 HG1 THR 28 1HG THR 28 5.500 -2.969 4.313 184 HG21 THR 28 3HG2 THR 28 2.171 -4.243 4.142 185 HG22 THR 28 1HG2 THR 28 3.563 -4.090 5.214 186 HG23 THR 28 2HG2 THR 28 3.612 -5.221 3.861 187 H CYS 29 H CYS 29 2.016 -1.270 1.976 188 HA CYS 29 HA CYS 29 3.049 0.053 -0.364 189 HB2 CYS 29 2HB CYS 29 1.156 1.109 1.736 190 HB3 CYS 29 1HB CYS 29 1.414 1.760 0.124 191 H LYS 30 H LYS 30 4.540 1.593 -0.488 192 HA LYS 30 HA LYS 30 5.474 2.919 1.966 193 HB2 LYS 30 2HB LYS 30 7.172 1.542 -0.113 194 HB3 LYS 30 1HB LYS 30 7.828 2.736 0.997 195 HG2 LYS 30 2HG LYS 30 6.878 1.231 2.851 196 HG3 LYS 30 1HG LYS 30 6.751 0.006 1.586 197 HD2 LYS 30 2HD LYS 30 9.141 0.223 1.127 198 HD3 LYS 30 1HD LYS 30 9.272 1.460 2.381 199 HE2 LYS 30 2HE LYS 30 8.562 -0.172 4.061 200 HE3 LYS 30 1HE LYS 30 8.430 -1.406 2.808 201 HZ1 LYS 30 3HZ LYS 30 10.803 -1.174 2.390 202 HZ2 LYS 30 1HZ LYS 30 10.513 -1.596 4.003 203 HZ3 LYS 30 2HZ LYS 30 10.925 -0.005 3.606 204 H ASP 31 H ASP 31 6.725 4.902 1.542 205 HA ASP 31 HA ASP 31 5.551 6.411 -0.652 206 HB2 ASP 31 2HB ASP 31 7.203 7.222 1.744 207 HB3 ASP 31 1HB ASP 31 6.717 8.357 0.488 208 H LYS 32 H LYS 32 6.578 7.009 -2.453 209 HA LYS 32 HA LYS 32 9.350 6.167 -2.830 210 HB2 LYS 32 2HB LYS 32 7.278 5.779 -4.437 211 HB3 LYS 32 1HB LYS 32 7.714 7.379 -5.019 212 HG2 LYS 32 2HG LYS 32 9.971 6.573 -5.531 213 HG3 LYS 32 1HG LYS 32 9.519 4.966 -4.960 214 HD2 LYS 32 2HD LYS 32 7.799 4.834 -6.697 215 HD3 LYS 32 1HD LYS 32 8.244 6.445 -7.263 216 HE2 LYS 32 2HE LYS 32 10.493 5.634 -7.792 217 HE3 LYS 32 1HE LYS 32 10.043 4.024 -7.230 218 HZ1 LYS 32 3HZ LYS 32 8.374 3.923 -8.976 219 HZ2 LYS 32 1HZ LYS 32 9.910 4.193 -9.634 220 HZ3 LYS 32 2HZ LYS 32 8.806 5.468 -9.513 221 H SER 33 H SER 33 11.002 7.535 -2.811 222 HA SER 33 HA SER 33 10.519 10.401 -3.272 223 HB2 SER 33 2HB SER 33 12.250 10.872 -1.509 224 HB3 SER 33 1HB SER 33 10.759 10.166 -0.887 225 HG SER 33 HG SER 33 12.279 8.134 -1.443 226 H SER 34 H SER 34 12.176 11.553 -4.256 227 HA SER 34 HA SER 34 14.224 9.898 -5.569 228 HB2 SER 34 2HB SER 34 14.295 11.748 -7.270 229 HB3 SER 34 1HB SER 34 12.747 10.909 -7.180 230 HG SER 34 HG SER 34 12.069 12.921 -7.046 231 H ALA 35 H ALA 35 16.337 10.357 -5.365 232 HA ALA 35 HA ALA 35 17.078 12.514 -3.522 233 HB1 ALA 35 1HB ALA 35 17.782 10.248 -2.912 234 HB2 ALA 35 2HB ALA 35 19.166 11.302 -3.196 235 HB3 ALA 35 3HB ALA 35 18.688 10.125 -4.419 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -9.400 4.111 -6.497 2 H2 GLY 1 2HT GLY 1 -10.725 5.158 -6.568 3 H3 GLY 1 3HT GLY 1 -10.655 3.814 -7.591 4 HA2 GLY 1 1HA GLY 1 -12.195 3.408 -5.783 5 HA3 GLY 1 2HA GLY 1 -10.819 2.316 -5.714 6 H TRP 2 H TRP 2 -10.820 1.911 -3.556 7 HA TRP 2 HA TRP 2 -10.735 4.153 -1.675 8 HB2 TRP 2 2HB TRP 2 -10.988 1.171 -1.226 9 HB3 TRP 2 1HB TRP 2 -10.902 2.360 0.068 10 HD1 TRP 2 HD TRP 2 -13.256 1.034 -2.630 11 HE1 TRP 2 1HE TRP 2 -15.640 1.867 -2.142 12 HE3 TRP 2 3HE TRP 2 -12.229 4.285 1.194 13 HZ2 TRP 2 2HZ TRP 2 -16.918 3.658 -0.381 14 HZ3 TRP 2 3HZ TRP 2 -14.094 5.517 2.222 15 HH2 TRP 2 HH TRP 2 -16.389 5.209 1.449 16 H CYS 3 H CYS 3 -8.935 4.799 -0.678 17 HA CYS 3 HA CYS 3 -6.478 3.239 -1.108 18 HB2 CYS 3 2HB CYS 3 -6.834 6.192 -0.563 19 HB3 CYS 3 1HB CYS 3 -5.280 5.381 -0.719 20 H GLY 4 H GLY 4 -5.030 2.900 0.571 21 HA2 GLY 4 2HA GLY 4 -6.247 2.974 3.241 22 HA3 GLY 4 1HA GLY 4 -4.923 1.938 2.742 23 H ASP 5 H ASP 5 -4.268 2.871 4.946 24 HA ASP 5 HA ASP 5 -3.008 5.504 4.757 25 HB2 ASP 5 2HB ASP 5 -3.516 3.594 7.036 26 HB3 ASP 5 1HB ASP 5 -2.463 4.991 7.219 27 HA HYP 6 HA HYP 6 1.157 4.102 3.948 28 HB2 HYP 6 2HB HYP 6 2.562 5.401 6.006 29 HB3 HYP 6 1HB HYP 6 2.194 6.084 4.411 30 HG HYP 6 2HG HYP 6 0.819 6.521 7.016 31 HD22 HYP 6 1HD HYP 6 -0.702 6.841 4.442 32 HD23 HYP 6 2HD HYP 6 -1.314 6.535 6.082 33 HD1 HYP 6 1HG HYP 6 1.970 8.007 5.159 34 H GLY 7 H GLY 7 1.664 2.070 4.323 35 HA2 GLY 7 2HA GLY 7 2.941 0.528 5.704 36 HA3 GLY 7 1HA GLY 7 2.102 1.178 7.105 37 H ALA 8 H ALA 8 0.079 0.795 4.415 38 HA ALA 8 HA ALA 8 -1.350 -1.393 5.672 39 HB1 ALA 8 1HB ALA 8 -2.005 0.188 3.185 40 HB2 ALA 8 2HB ALA 8 -2.576 0.549 4.815 41 HB3 ALA 8 3HB ALA 8 -3.080 -0.938 4.014 42 H THR 9 H THR 9 -1.968 -3.325 4.581 43 HA THR 9 HA THR 9 0.144 -4.503 3.031 44 HB THR 9 HB THR 9 -2.480 -5.901 3.363 45 HG1 THR 9 1HG THR 9 -2.323 -6.006 5.492 46 HG21 THR 9 3HG2 THR 9 -1.022 -7.823 3.813 47 HG22 THR 9 1HG2 THR 9 0.394 -6.776 3.716 48 HG23 THR 9 2HG2 THR 9 -0.601 -7.049 2.285 49 H CYS 10 H CYS 10 0.342 -4.496 0.904 50 HA CYS 10 HA CYS 10 -2.023 -3.951 -0.770 51 HB2 CYS 10 2HB CYS 10 -0.237 -2.229 -0.854 52 HB3 CYS 10 1HB CYS 10 0.893 -3.455 -1.416 53 H GLY 11 H GLY 11 -2.414 -5.190 -2.590 54 HA2 GLY 11 2HA GLY 11 -0.708 -7.116 -3.702 55 HA3 GLY 11 1HA GLY 11 -1.695 -7.911 -2.486 56 H LYS 12 H LYS 12 -2.960 -9.151 -3.760 57 HA LYS 12 HA LYS 12 -4.409 -7.915 -5.978 58 HB2 LYS 12 2HB LYS 12 -5.116 -10.282 -6.499 59 HB3 LYS 12 1HB LYS 12 -3.399 -9.956 -6.637 60 HG2 LYS 12 2HG LYS 12 -3.009 -11.043 -4.480 61 HG3 LYS 12 1HG LYS 12 -4.737 -11.350 -4.317 62 HD2 LYS 12 2HD LYS 12 -3.396 -12.314 -6.788 63 HD3 LYS 12 1HD LYS 12 -3.052 -13.175 -5.287 64 HE2 LYS 12 2HE LYS 12 -5.448 -13.532 -4.942 65 HE3 LYS 12 1HE LYS 12 -5.797 -12.656 -6.432 66 HZ1 LYS 12 3HZ LYS 12 -4.242 -15.181 -6.240 67 HZ2 LYS 12 1HZ LYS 12 -4.599 -14.347 -7.669 68 HZ3 LYS 12 2HZ LYS 12 -5.844 -15.052 -6.767 69 H LEU 13 H LEU 13 -5.016 -9.602 -2.930 70 HA LEU 13 HA LEU 13 -7.896 -9.289 -3.175 71 HB2 LEU 13 2HB LEU 13 -6.142 -10.484 -1.031 72 HB3 LEU 13 1HB LEU 13 -7.885 -10.360 -0.882 73 HG LEU 13 HG LEU 13 -6.783 -11.747 -3.283 74 HD11 LEU 13 1HD1 LEU 13 -6.925 -12.983 -0.536 75 HD12 LEU 13 2HD1 LEU 13 -5.458 -12.676 -1.466 76 HD13 LEU 13 3HD1 LEU 13 -6.639 -13.853 -2.043 77 HD21 LEU 13 3HD2 LEU 13 -9.170 -12.230 -1.500 78 HD22 LEU 13 1HD2 LEU 13 -8.789 -13.115 -2.977 79 HD23 LEU 13 2HD2 LEU 13 -9.189 -11.399 -3.055 80 H ARG 14 H ARG 14 -5.343 -7.396 -2.103 81 HA ARG 14 HA ARG 14 -6.869 -5.986 -0.046 82 HB2 ARG 14 2HB ARG 14 -3.999 -5.855 -0.964 83 HB3 ARG 14 1HB ARG 14 -4.679 -4.652 0.123 84 HG2 ARG 14 2HG ARG 14 -4.525 -6.016 1.890 85 HG3 ARG 14 1HG ARG 14 -5.207 -7.377 1.000 86 HD2 ARG 14 2HD ARG 14 -2.368 -6.453 0.629 87 HD3 ARG 14 1HD ARG 14 -2.828 -7.642 1.846 88 HE ARG 14 HE ARG 14 -3.710 -8.273 -0.827 89 HH11 ARG 14 1HH1 ARG 14 -1.093 -8.646 1.486 90 HH12 ARG 14 2HH1 ARG 14 -0.456 -10.057 0.709 91 HH21 ARG 14 2HH2 ARG 14 -2.862 -10.122 -1.823 92 HH22 ARG 14 1HH2 ARG 14 -1.458 -10.891 -1.162 93 H LEU 15 H LEU 15 -6.784 -3.543 -0.109 94 HA LEU 15 HA LEU 15 -7.842 -2.638 -2.628 95 HB2 LEU 15 2HB LEU 15 -8.340 -0.552 -1.443 96 HB3 LEU 15 1HB LEU 15 -8.921 -1.951 -0.569 97 HG LEU 15 HG LEU 15 -6.539 -1.606 0.665 98 HD11 LEU 15 1HD1 LEU 15 -7.456 1.159 -0.112 99 HD12 LEU 15 2HD1 LEU 15 -5.968 0.371 -0.638 100 HD13 LEU 15 3HD1 LEU 15 -6.195 0.778 1.062 101 HD21 LEU 15 3HD2 LEU 15 -8.582 -1.837 1.867 102 HD22 LEU 15 1HD2 LEU 15 -9.180 -0.290 1.266 103 HD23 LEU 15 2HD2 LEU 15 -7.827 -0.331 2.398 104 H TYR 16 H TYR 16 -7.172 -0.406 -3.468 105 HA TYR 16 HA TYR 16 -4.300 -0.454 -3.949 106 HB2 TYR 16 2HB TYR 16 -6.195 -0.178 -5.729 107 HB3 TYR 16 1HB TYR 16 -6.195 1.504 -5.214 108 HD1 TYR 16 1HD TYR 16 -4.309 -1.114 -6.946 109 HD2 TYR 16 2HD TYR 16 -4.305 2.956 -5.707 110 HE1 TYR 16 1HE TYR 16 -2.428 -0.660 -8.463 111 HE2 TYR 16 2HE TYR 16 -2.424 3.421 -7.221 112 HH TYR 16 HH TYR 16 -1.427 1.256 -9.634 113 H CYS 17 H CYS 17 -2.911 1.256 -3.572 114 HA CYS 17 HA CYS 17 -3.778 3.135 -1.499 115 HB2 CYS 17 2HB CYS 17 -1.042 2.205 -2.373 116 HB3 CYS 17 1HB CYS 17 -1.294 3.496 -1.203 117 H CYS 18 H CYS 18 -3.660 5.313 -1.701 118 HA CYS 18 HA CYS 18 -3.670 6.440 -4.322 119 HB2 CYS 18 2HB CYS 18 -4.007 7.502 -1.550 120 HB3 CYS 18 1HB CYS 18 -3.729 8.635 -2.868 121 H SER 19 H SER 19 -1.072 5.572 -2.460 122 HA SER 19 HA SER 19 0.641 7.843 -3.018 123 HB2 SER 19 2HB SER 19 1.269 5.130 -1.828 124 HB3 SER 19 1HB SER 19 2.400 6.478 -1.930 125 HG SER 19 HG SER 19 0.019 7.168 -0.785 126 H GLY 20 H GLY 20 -0.051 4.712 -4.404 127 HA2 GLY 20 2HA GLY 20 0.400 3.986 -6.563 128 HA3 GLY 20 1HA GLY 20 1.425 5.390 -6.796 129 H PHE 21 H PHE 21 2.141 3.555 -3.974 130 HA PHE 21 HA PHE 21 4.199 2.014 -5.390 131 HB2 PHE 21 2HB PHE 21 5.302 4.049 -4.586 132 HB3 PHE 21 1HB PHE 21 4.712 3.753 -2.958 133 HD1 PHE 21 2HD PHE 21 5.585 1.777 -1.687 134 HD2 PHE 21 1HD PHE 21 7.305 3.052 -5.366 135 HE1 PHE 21 2HE PHE 21 7.616 0.492 -1.178 136 HE2 PHE 21 1HE PHE 21 9.345 1.771 -4.851 137 HZ PHE 21 HZ PHE 21 9.489 0.493 -2.744 138 H CYS 22 H CYS 22 3.830 -0.016 -4.986 139 HA CYS 22 HA CYS 22 3.050 -0.853 -2.274 140 HB2 CYS 22 2HB CYS 22 2.358 -2.031 -4.965 141 HB3 CYS 22 1HB CYS 22 2.177 -2.941 -3.470 142 H ASP 23 H ASP 23 4.806 -1.556 -1.239 143 HA ASP 23 HA ASP 23 7.088 -2.665 -2.586 144 HB2 ASP 23 2HB ASP 23 6.569 -1.538 -0.043 145 HB3 ASP 23 1HB ASP 23 7.149 -3.174 0.245 146 H SER 24 H SER 24 7.346 -4.685 -3.197 147 HA SER 24 HA SER 24 5.520 -6.764 -2.333 148 HB2 SER 24 2HB SER 24 7.766 -6.815 -4.360 149 HB3 SER 24 1HB SER 24 6.614 -8.122 -4.088 150 HG SER 24 HG SER 24 5.598 -5.574 -4.604 151 H TYR 25 H TYR 25 8.465 -5.627 -1.218 152 HA TYR 25 HA TYR 25 9.699 -8.122 -0.493 153 HB2 TYR 25 2HB TYR 25 10.766 -5.745 -0.849 154 HB3 TYR 25 1HB TYR 25 10.363 -5.526 0.848 155 HD1 TYR 25 2HD TYR 25 11.510 -6.805 2.576 156 HD2 TYR 25 1HD TYR 25 12.490 -7.315 -1.533 157 HE1 TYR 25 2HE TYR 25 13.576 -7.973 3.219 158 HE2 TYR 25 1HE TYR 25 14.559 -8.486 -0.901 159 HH TYR 25 HH TYR 25 16.079 -8.627 1.023 160 H THR 26 H THR 26 7.338 -6.027 0.899 161 HA THR 26 HA THR 26 7.129 -7.772 3.246 162 HB THR 26 HB THR 26 6.606 -5.724 4.650 163 HG1 THR 26 1HG THR 26 7.639 -3.769 3.806 164 HG21 THR 26 3HG2 THR 26 8.717 -6.937 4.886 165 HG22 THR 26 1HG2 THR 26 8.965 -5.203 5.091 166 HG23 THR 26 2HG2 THR 26 9.420 -5.986 3.578 167 H LYS 27 H LYS 27 5.664 -6.551 0.599 168 HA LYS 27 HA LYS 27 3.550 -6.305 -0.183 169 HB2 LYS 27 2HB LYS 27 2.998 -8.117 2.169 170 HB3 LYS 27 1HB LYS 27 1.735 -7.621 1.052 171 HG2 LYS 27 2HG LYS 27 2.983 -8.634 -0.798 172 HG3 LYS 27 1HG LYS 27 4.233 -9.147 0.337 173 HD2 LYS 27 2HD LYS 27 2.585 -10.507 1.534 174 HD3 LYS 27 1HD LYS 27 1.333 -9.986 0.404 175 HE2 LYS 27 2HE LYS 27 2.579 -11.018 -1.438 176 HE3 LYS 27 1HE LYS 27 3.819 -11.544 -0.301 177 HZ1 LYS 27 3HZ LYS 27 0.969 -12.382 -0.254 178 HZ2 LYS 27 1HZ LYS 27 2.166 -12.897 0.825 179 HZ3 LYS 27 2HZ LYS 27 2.261 -13.321 -0.810 180 H THR 28 H THR 28 4.382 -4.095 1.053 181 HA THR 28 HA THR 28 1.925 -3.028 2.259 182 HB THR 28 HB THR 28 3.367 -1.654 3.841 183 HG1 THR 28 1HG THR 28 5.327 -3.378 4.186 184 HG21 THR 28 3HG2 THR 28 3.487 -3.434 5.529 185 HG22 THR 28 1HG2 THR 28 3.252 -4.643 4.267 186 HG23 THR 28 2HG2 THR 28 1.968 -3.491 4.635 187 H CYS 29 H CYS 29 1.659 -0.778 2.097 188 HA CYS 29 HA CYS 29 2.802 0.339 -0.311 189 HB2 CYS 29 2HB CYS 29 0.656 1.280 1.587 190 HB3 CYS 29 1HB CYS 29 1.181 2.212 0.194 191 H LYS 30 H LYS 30 4.268 1.933 -0.469 192 HA LYS 30 HA LYS 30 5.044 3.427 1.946 193 HB2 LYS 30 2HB LYS 30 6.960 1.956 0.130 194 HB3 LYS 30 1HB LYS 30 7.463 3.130 1.325 195 HG2 LYS 30 2HG LYS 30 6.340 1.651 3.050 196 HG3 LYS 30 1HG LYS 30 6.224 0.434 1.775 197 HD2 LYS 30 2HD LYS 30 8.650 0.492 1.491 198 HD3 LYS 30 1HD LYS 30 8.773 1.719 2.755 199 HE2 LYS 30 2HE LYS 30 7.834 0.138 4.372 200 HE3 LYS 30 1HE LYS 30 7.717 -1.085 3.108 201 HZ1 LYS 30 3HZ LYS 30 9.690 -1.399 4.463 202 HZ2 LYS 30 1HZ LYS 30 10.233 0.157 4.083 203 HZ3 LYS 30 2HZ LYS 30 10.121 -1.018 2.873 204 H ASP 31 H ASP 31 6.643 5.233 1.351 205 HA ASP 31 HA ASP 31 5.562 6.687 -0.927 206 HB2 ASP 31 2HB ASP 31 7.381 7.487 1.350 207 HB3 ASP 31 1HB ASP 31 6.987 8.569 0.018 208 H LYS 32 H LYS 32 6.911 7.715 -2.514 209 HA LYS 32 HA LYS 32 9.190 6.060 -3.273 210 HB2 LYS 32 2HB LYS 32 7.593 8.169 -4.724 211 HB3 LYS 32 1HB LYS 32 9.073 7.496 -5.389 212 HG2 LYS 32 2HG LYS 32 8.065 5.253 -5.304 213 HG3 LYS 32 1HG LYS 32 6.568 5.972 -4.707 214 HD2 LYS 32 2HD LYS 32 6.379 7.290 -6.755 215 HD3 LYS 32 1HD LYS 32 7.887 6.592 -7.350 216 HE2 LYS 32 2HE LYS 32 6.868 4.368 -7.315 217 HE3 LYS 32 1HE LYS 32 5.362 5.067 -6.722 218 HZ1 LYS 32 3HZ LYS 32 6.639 5.668 -9.336 219 HZ2 LYS 32 1HZ LYS 32 5.197 6.347 -8.767 220 HZ3 LYS 32 2HZ LYS 32 5.279 4.690 -9.102 221 H SER 33 H SER 33 11.241 6.872 -3.773 222 HA SER 33 HA SER 33 11.859 9.565 -2.754 223 HB2 SER 33 2HB SER 33 12.531 7.754 -1.147 224 HB3 SER 33 1HB SER 33 13.619 7.129 -2.385 225 HG SER 33 HG SER 33 15.000 8.566 -1.759 226 H SER 34 H SER 34 12.995 10.808 -4.090 227 HA SER 34 HA SER 34 14.167 9.578 -6.495 228 HB2 SER 34 2HB SER 34 13.195 12.413 -6.055 229 HB3 SER 34 1HB SER 34 13.899 11.798 -7.551 230 HG SER 34 HG SER 34 11.408 11.245 -6.389 231 H ALA 35 H ALA 35 16.212 10.167 -7.191 232 HA ALA 35 HA ALA 35 17.938 11.316 -5.117 233 HB1 ALA 35 1HB ALA 35 18.685 9.688 -7.545 234 HB2 ALA 35 2HB ALA 35 18.512 9.070 -5.902 235 HB3 ALA 35 3HB ALA 35 19.785 10.230 -6.277 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -12.843 5.419 -4.527 2 H2 GLY 1 2HT GLY 1 -13.389 4.005 -5.279 3 H3 GLY 1 3HT GLY 1 -11.812 4.085 -4.675 4 HA2 GLY 1 1HA GLY 1 -14.299 4.170 -3.056 5 HA3 GLY 1 2HA GLY 1 -13.228 2.786 -3.208 6 H TRP 2 H TRP 2 -11.986 2.505 -1.503 7 HA TRP 2 HA TRP 2 -11.306 4.781 0.207 8 HB2 TRP 2 2HB TRP 2 -11.135 1.796 0.648 9 HB3 TRP 2 1HB TRP 2 -10.525 2.980 1.798 10 HD1 TRP 2 HD TRP 2 -13.756 1.462 0.489 11 HE1 TRP 2 1HE TRP 2 -15.706 2.191 2.001 12 HE3 TRP 2 3HE TRP 2 -11.320 4.934 3.362 13 HZ2 TRP 2 2HZ TRP 2 -16.156 3.992 4.122 14 HZ3 TRP 2 3HZ TRP 2 -12.589 6.111 5.109 15 HH2 TRP 2 HH TRP 2 -14.957 5.649 5.480 16 H CYS 3 H CYS 3 -9.201 5.273 0.822 17 HA CYS 3 HA CYS 3 -7.136 4.372 -1.056 18 HB2 CYS 3 2HB CYS 3 -7.761 6.872 -0.565 19 HB3 CYS 3 1HB CYS 3 -6.760 6.643 0.863 20 H GLY 4 H GLY 4 -5.123 3.632 -0.360 21 HA2 GLY 4 2HA GLY 4 -5.147 2.454 2.327 22 HA3 GLY 4 1HA GLY 4 -4.120 1.957 0.992 23 H ASP 5 H ASP 5 -3.993 3.224 3.930 24 HA ASP 5 HA ASP 5 -2.023 5.314 3.451 25 HB2 ASP 5 2HB ASP 5 -3.337 4.244 5.952 26 HB3 ASP 5 1HB ASP 5 -2.040 5.432 6.000 27 HA HYP 6 HA HYP 6 1.665 2.848 4.021 28 HB2 HYP 6 2HB HYP 6 2.645 4.676 6.142 29 HB3 HYP 6 1HB HYP 6 3.384 4.260 4.582 30 HG HYP 6 2HG HYP 6 2.314 6.665 4.968 31 HD22 HYP 6 1HD HYP 6 -0.052 6.184 3.762 32 HD23 HYP 6 2HD HYP 6 0.114 6.151 5.530 33 HD1 HYP 6 1HG HYP 6 2.441 6.739 2.827 34 H GLY 7 H GLY 7 2.076 1.037 5.099 35 HA2 GLY 7 2HA GLY 7 2.644 -0.062 7.205 36 HA3 GLY 7 1HA GLY 7 1.376 0.885 7.966 37 H ALA 8 H ALA 8 0.101 0.062 5.081 38 HA ALA 8 HA ALA 8 -1.342 -2.217 6.218 39 HB1 ALA 8 1HB ALA 8 -2.667 -0.332 5.390 40 HB2 ALA 8 2HB ALA 8 -2.998 -1.804 4.477 41 HB3 ALA 8 3HB ALA 8 -1.972 -0.549 3.784 42 H THR 9 H THR 9 -1.709 -4.131 5.025 43 HA THR 9 HA THR 9 0.547 -4.931 3.377 44 HB THR 9 HB THR 9 -1.716 -6.800 3.955 45 HG1 THR 9 1HG THR 9 -0.809 -5.391 5.896 46 HG21 THR 9 3HG2 THR 9 0.122 -8.403 4.260 47 HG22 THR 9 1HG2 THR 9 1.292 -7.106 4.016 48 HG23 THR 9 2HG2 THR 9 0.229 -7.594 2.697 49 H CYS 10 H CYS 10 0.524 -4.955 1.226 50 HA CYS 10 HA CYS 10 -2.071 -5.069 -0.164 51 HB2 CYS 10 2HB CYS 10 -1.167 -3.619 -1.909 52 HB3 CYS 10 1HB CYS 10 -1.085 -2.825 -0.342 53 H GLY 11 H GLY 11 -2.336 -6.760 -1.412 54 HA2 GLY 11 2HA GLY 11 -0.159 -7.860 -2.989 55 HA3 GLY 11 1HA GLY 11 -0.788 -8.929 -1.743 56 H LYS 12 H LYS 12 -3.457 -8.464 -1.808 57 HA LYS 12 HA LYS 12 -4.218 -9.589 -4.397 58 HB2 LYS 12 2HB LYS 12 -5.569 -9.495 -1.702 59 HB3 LYS 12 1HB LYS 12 -6.427 -9.999 -3.151 60 HG2 LYS 12 2HG LYS 12 -4.798 -11.804 -3.475 61 HG3 LYS 12 1HG LYS 12 -3.970 -11.307 -1.998 62 HD2 LYS 12 2HD LYS 12 -5.990 -11.767 -0.703 63 HD3 LYS 12 1HD LYS 12 -6.836 -12.237 -2.177 64 HE2 LYS 12 2HE LYS 12 -6.167 -14.254 -1.159 65 HE3 LYS 12 1HE LYS 12 -5.038 -13.994 -2.486 66 HZ1 LYS 12 3HZ LYS 12 -4.516 -13.375 0.372 67 HZ2 LYS 12 1HZ LYS 12 -3.430 -13.131 -0.903 68 HZ3 LYS 12 2HZ LYS 12 -3.897 -14.700 -0.479 69 H LEU 13 H LEU 13 -6.393 -8.905 -5.291 70 HA LEU 13 HA LEU 13 -6.421 -6.030 -5.555 71 HB2 LEU 13 2HB LEU 13 -8.057 -8.201 -6.866 72 HB3 LEU 13 1HB LEU 13 -8.268 -6.496 -7.211 73 HG LEU 13 HG LEU 13 -5.674 -6.635 -7.747 74 HD11 LEU 13 1HD1 LEU 13 -6.632 -9.446 -8.280 75 HD12 LEU 13 2HD1 LEU 13 -5.419 -8.969 -7.092 76 HD13 LEU 13 3HD1 LEU 13 -5.098 -8.759 -8.813 77 HD21 LEU 13 3HD2 LEU 13 -6.261 -7.022 -10.097 78 HD22 LEU 13 1HD2 LEU 13 -7.390 -5.920 -9.306 79 HD23 LEU 13 2HD2 LEU 13 -7.851 -7.598 -9.596 80 H ARG 14 H ARG 14 -7.095 -5.249 -3.589 81 HA ARG 14 HA ARG 14 -9.975 -5.367 -3.110 82 HB2 ARG 14 2HB ARG 14 -7.872 -6.015 -1.043 83 HB3 ARG 14 1HB ARG 14 -9.485 -5.480 -0.598 84 HG2 ARG 14 2HG ARG 14 -10.445 -7.405 -1.768 85 HG3 ARG 14 1HG ARG 14 -8.820 -7.945 -2.199 86 HD2 ARG 14 2HD ARG 14 -8.263 -8.163 0.172 87 HD3 ARG 14 1HD ARG 14 -9.883 -7.616 0.605 88 HE ARG 14 HE ARG 14 -10.087 -9.841 -1.100 89 HH11 ARG 14 2HH1 ARG 14 -9.111 -9.099 2.191 90 HH12 ARG 14 1HH1 ARG 14 -9.515 -10.674 2.788 91 HH21 ARG 14 2HH2 ARG 14 -10.610 -11.895 -0.296 92 HH22 ARG 14 1HH2 ARG 14 -10.362 -12.255 1.380 93 H LEU 15 H LEU 15 -6.873 -3.905 -2.165 94 HA LEU 15 HA LEU 15 -8.184 -1.272 -2.124 95 HB2 LEU 15 2HB LEU 15 -7.303 -2.549 0.150 96 HB3 LEU 15 1HB LEU 15 -5.926 -1.553 -0.272 97 HG LEU 15 HG LEU 15 -8.693 -0.387 -0.027 98 HD11 LEU 15 1HD1 LEU 15 -6.631 -0.620 2.159 99 HD12 LEU 15 2HD1 LEU 15 -8.137 -1.535 2.074 100 HD13 LEU 15 3HD1 LEU 15 -8.180 0.218 2.259 101 HD21 LEU 15 3HD2 LEU 15 -5.907 0.763 0.087 102 HD22 LEU 15 1HD2 LEU 15 -7.366 1.665 0.496 103 HD23 LEU 15 2HD2 LEU 15 -7.138 1.055 -1.142 104 H TYR 16 H TYR 16 -6.889 0.476 -2.761 105 HA TYR 16 HA TYR 16 -4.474 -0.288 -4.262 106 HB2 TYR 16 2HB TYR 16 -6.599 0.757 -5.378 107 HB3 TYR 16 1HB TYR 16 -5.982 2.269 -4.722 108 HD1 TYR 16 2HD TYR 16 -5.363 -0.440 -7.130 109 HD2 TYR 16 1HD TYR 16 -4.016 3.315 -5.651 110 HE1 TYR 16 2HE TYR 16 -3.880 -0.212 -9.078 111 HE2 TYR 16 1HE TYR 16 -2.530 3.555 -7.595 112 HH TYR 16 HH TYR 16 -1.420 2.115 -9.253 113 H CYS 17 H CYS 17 -2.746 1.307 -4.402 114 HA CYS 17 HA CYS 17 -2.074 2.411 -1.824 115 HB2 CYS 17 2HB CYS 17 -0.655 1.468 -4.083 116 HB3 CYS 17 1HB CYS 17 -0.210 3.155 -3.878 117 H CYS 18 H CYS 18 -1.923 4.520 -1.232 118 HA CYS 18 HA CYS 18 -3.468 6.467 -2.594 119 HB2 CYS 18 2HB CYS 18 -1.609 6.596 -0.232 120 HB3 CYS 18 1HB CYS 18 -2.405 8.035 -0.861 121 H SER 19 H SER 19 0.005 5.873 -2.428 122 HA SER 19 HA SER 19 0.569 8.218 -4.088 123 HB2 SER 19 2HB SER 19 1.965 7.720 -2.057 124 HB3 SER 19 1HB SER 19 2.536 6.266 -2.872 125 HG SER 19 HG SER 19 2.949 8.080 -4.620 126 H GLY 20 H GLY 20 0.430 4.741 -4.231 127 HA2 GLY 20 2HA GLY 20 0.095 3.561 -6.265 128 HA3 GLY 20 1HA GLY 20 0.926 4.850 -7.121 129 H PHE 21 H PHE 21 2.148 3.334 -4.188 130 HA PHE 21 HA PHE 21 4.072 1.753 -5.715 131 HB2 PHE 21 2HB PHE 21 5.370 3.709 -5.446 132 HB3 PHE 21 1HB PHE 21 4.781 3.987 -3.816 133 HD1 PHE 21 1HD PHE 21 6.787 1.494 -5.766 134 HD2 PHE 21 2HD PHE 21 6.155 3.469 -2.044 135 HE1 PHE 21 1HE PHE 21 8.788 0.396 -4.843 136 HE2 PHE 21 2HE PHE 21 8.158 2.376 -1.125 137 HZ PHE 21 HZ PHE 21 9.471 0.842 -2.520 138 H CYS 22 H CYS 22 4.066 -0.224 -4.961 139 HA CYS 22 HA CYS 22 3.522 -0.688 -2.103 140 HB2 CYS 22 2HB CYS 22 2.546 -2.030 -4.544 141 HB3 CYS 22 1HB CYS 22 3.055 -3.114 -3.254 142 H ASP 23 H ASP 23 5.128 -1.517 -0.947 143 HA ASP 23 HA ASP 23 7.593 -2.313 -2.225 144 HB2 ASP 23 2HB ASP 23 6.859 -1.245 0.297 145 HB3 ASP 23 1HB ASP 23 7.627 -2.801 0.602 146 H SER 24 H SER 24 8.159 -4.298 -2.736 147 HA SER 24 HA SER 24 6.496 -6.554 -2.001 148 HB2 SER 24 2HB SER 24 7.322 -6.184 -4.335 149 HB3 SER 24 1HB SER 24 8.954 -6.521 -3.762 150 HG SER 24 HG SER 24 8.202 -8.597 -3.126 151 H TYR 25 H TYR 25 9.193 -5.090 -0.658 152 HA TYR 25 HA TYR 25 10.636 -7.413 0.219 153 HB2 TYR 25 2HB TYR 25 11.427 -4.918 -0.043 154 HB3 TYR 25 1HB TYR 25 10.832 -4.764 1.604 155 HD1 TYR 25 1HD TYR 25 13.388 -6.267 -0.544 156 HD2 TYR 25 2HD TYR 25 11.956 -5.888 3.445 157 HE1 TYR 25 1HE TYR 25 15.512 -7.175 0.299 158 HE2 TYR 25 2HE TYR 25 14.077 -6.794 4.299 159 HH TYR 25 HH TYR 25 16.844 -7.129 2.366 160 H THR 26 H THR 26 7.891 -5.665 1.331 161 HA THR 26 HA THR 26 7.668 -7.423 3.666 162 HB THR 26 HB THR 26 6.726 -5.467 4.980 163 HG1 THR 26 1HG THR 26 7.094 -3.432 4.247 164 HG21 THR 26 3HG2 THR 26 8.943 -6.380 5.460 165 HG22 THR 26 1HG2 THR 26 8.932 -4.628 5.662 166 HG23 THR 26 2HG2 THR 26 9.649 -5.345 4.218 167 H LYS 27 H LYS 27 6.345 -6.309 0.869 168 HA LYS 27 HA LYS 27 4.315 -6.323 -0.137 169 HB2 LYS 27 2HB LYS 27 3.763 -8.299 2.081 170 HB3 LYS 27 1HB LYS 27 2.590 -7.940 0.821 171 HG2 LYS 27 2HG LYS 27 4.170 -8.704 -0.876 172 HG3 LYS 27 1HG LYS 27 5.357 -9.051 0.383 173 HD2 LYS 27 2HD LYS 27 3.823 -10.684 1.373 174 HD3 LYS 27 1HD LYS 27 2.641 -10.338 0.110 175 HE2 LYS 27 2HE LYS 27 4.227 -11.113 -1.584 176 HE3 LYS 27 1HE LYS 27 5.410 -11.455 -0.323 177 HZ1 LYS 27 3HZ LYS 27 2.753 -12.754 -0.597 178 HZ2 LYS 27 1HZ LYS 27 3.890 -13.084 0.611 179 HZ3 LYS 27 2HZ LYS 27 4.238 -13.452 -1.004 180 H THR 28 H THR 28 4.629 -4.061 1.127 181 HA THR 28 HA THR 28 1.982 -3.475 2.277 182 HB THR 28 HB THR 28 3.132 -1.783 3.794 183 HG1 THR 28 1HG THR 28 5.220 -2.141 2.609 184 HG21 THR 28 3HG2 THR 28 3.612 -4.725 4.291 185 HG22 THR 28 1HG2 THR 28 2.147 -3.824 4.683 186 HG23 THR 28 2HG2 THR 28 3.655 -3.462 5.522 187 H CYS 29 H CYS 29 1.386 -1.194 2.207 188 HA CYS 29 HA CYS 29 2.130 -0.001 -0.326 189 HB2 CYS 29 2HB CYS 29 -0.140 0.086 1.455 190 HB3 CYS 29 1HB CYS 29 0.374 1.718 1.047 191 H LYS 30 H LYS 30 3.643 1.488 -0.575 192 HA LYS 30 HA LYS 30 4.340 3.252 1.680 193 HB2 LYS 30 2HB LYS 30 6.221 1.756 -0.147 194 HB3 LYS 30 1HB LYS 30 6.736 3.117 0.839 195 HG2 LYS 30 2HG LYS 30 5.813 1.766 2.820 196 HG3 LYS 30 1HG LYS 30 5.828 0.398 1.706 197 HD2 LYS 30 2HD LYS 30 8.216 0.738 1.312 198 HD3 LYS 30 1HD LYS 30 8.205 2.117 2.413 199 HE2 LYS 30 2HE LYS 30 7.534 0.642 4.248 200 HE3 LYS 30 1HE LYS 30 7.548 -0.734 3.146 201 HZ1 LYS 30 3HZ LYS 30 9.897 0.936 3.867 202 HZ2 LYS 30 1HZ LYS 30 9.916 -0.372 2.793 203 HZ3 LYS 30 2HZ LYS 30 9.583 -0.628 4.431 204 H ASP 31 H ASP 31 5.601 5.202 0.966 205 HA ASP 31 HA ASP 31 4.334 6.371 -1.378 206 HB2 ASP 31 2HB ASP 31 6.038 7.539 0.826 207 HB3 ASP 31 1HB ASP 31 5.481 8.479 -0.555 208 H LYS 32 H LYS 32 5.402 7.203 -3.154 209 HA LYS 32 HA LYS 32 8.067 6.092 -3.637 210 HB2 LYS 32 2HB LYS 32 5.902 5.959 -5.192 211 HB3 LYS 32 1HB LYS 32 6.537 7.488 -5.780 212 HG2 LYS 32 2HG LYS 32 8.651 6.406 -6.342 213 HG3 LYS 32 1HG LYS 32 8.031 4.870 -5.731 214 HD2 LYS 32 2HD LYS 32 6.257 4.921 -7.423 215 HD3 LYS 32 1HD LYS 32 6.888 6.451 -8.035 216 HE2 LYS 32 2HE LYS 32 9.001 5.353 -8.597 217 HE3 LYS 32 1HE LYS 32 8.373 3.826 -7.980 218 HZ1 LYS 32 3HZ LYS 32 6.661 3.882 -9.682 219 HZ2 LYS 32 1HZ LYS 32 8.198 3.951 -10.385 220 HZ3 LYS 32 2HZ LYS 32 7.257 5.351 -10.272 221 H SER 33 H SER 33 6.318 9.182 -3.787 222 HA SER 33 HA SER 33 8.913 10.582 -3.840 223 HB2 SER 33 2HB SER 33 6.293 11.480 -5.066 224 HB3 SER 33 1HB SER 33 7.782 12.424 -5.039 225 HG SER 33 HG SER 33 7.795 9.832 -6.121 226 H SER 34 H SER 34 9.208 12.295 -2.472 227 HA SER 34 HA SER 34 7.032 12.908 -0.584 228 HB2 SER 34 2HB SER 34 9.957 12.520 0.100 229 HB3 SER 34 1HB SER 34 8.710 13.051 1.228 230 HG SER 34 HG SER 34 9.366 10.566 0.536 231 H ALA 35 H ALA 35 10.066 14.013 -2.052 232 HA ALA 35 HA ALA 35 9.430 16.783 -1.330 233 HB1 ALA 35 1HB ALA 35 11.678 15.983 -0.778 234 HB2 ALA 35 2HB ALA 35 11.729 17.302 -1.947 235 HB3 ALA 35 3HB ALA 35 11.973 15.639 -2.482 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -12.128 3.230 -4.408 2 H2 GLY 1 2HT GLY 1 -13.423 2.164 -4.619 3 H3 GLY 1 3HT GLY 1 -12.248 1.846 -3.443 4 HA2 GLY 1 1HA GLY 1 -14.148 4.128 -3.429 5 HA3 GLY 1 2HA GLY 1 -14.272 2.690 -2.426 6 H TRP 2 H TRP 2 -12.005 2.235 -1.299 7 HA TRP 2 HA TRP 2 -11.422 4.654 0.245 8 HB2 TRP 2 2HB TRP 2 -10.806 1.739 0.794 9 HB3 TRP 2 1HB TRP 2 -10.333 3.067 1.846 10 HD1 TRP 2 HD TRP 2 -12.236 4.228 3.305 11 HE1 TRP 2 1HE TRP 2 -14.607 3.484 3.967 12 HE3 TRP 2 3HE TRP 2 -12.885 0.436 -0.079 13 HZ2 TRP 2 2HZ TRP 2 -16.501 1.554 3.168 14 HZ3 TRP 2 3HZ TRP 2 -15.008 -0.806 -0.057 15 HH2 TRP 2 HH TRP 2 -16.777 -0.258 1.532 16 H CYS 3 H CYS 3 -9.286 5.302 0.730 17 HA CYS 3 HA CYS 3 -7.329 4.543 -1.324 18 HB2 CYS 3 2HB CYS 3 -8.126 7.021 -0.727 19 HB3 CYS 3 1HB CYS 3 -6.855 6.867 0.481 20 H GLY 4 H GLY 4 -5.513 3.494 -0.802 21 HA2 GLY 4 2HA GLY 4 -5.188 2.509 1.888 22 HA3 GLY 4 1HA GLY 4 -4.207 2.088 0.496 23 H ASP 5 H ASP 5 -4.119 3.452 3.440 24 HA ASP 5 HA ASP 5 -2.163 5.544 2.869 25 HB2 ASP 5 2HB ASP 5 -3.630 4.669 5.352 26 HB3 ASP 5 1HB ASP 5 -2.280 5.793 5.433 27 HA HYP 6 HA HYP 6 1.543 3.190 3.682 28 HB2 HYP 6 2HB HYP 6 2.825 4.836 5.550 29 HB3 HYP 6 1HB HYP 6 2.937 4.997 3.787 30 HG HYP 6 2HG HYP 6 1.250 6.518 5.719 31 HD22 HYP 6 1HD HYP 6 0.414 6.239 2.843 32 HD23 HYP 6 2HD HYP 6 -0.572 6.626 4.268 33 HD1 HYP 6 1HG HYP 6 2.971 7.534 4.549 34 H GLY 7 H GLY 7 1.921 1.467 4.897 35 HA2 GLY 7 2HA GLY 7 2.442 0.495 7.063 36 HA3 GLY 7 1HA GLY 7 1.202 1.525 7.761 37 H ALA 8 H ALA 8 0.071 0.394 4.852 38 HA ALA 8 HA ALA 8 -1.553 -1.658 6.170 39 HB1 ALA 8 1HB ALA 8 -3.073 -1.415 4.277 40 HB2 ALA 8 2HB ALA 8 -1.952 -0.290 3.509 41 HB3 ALA 8 3HB ALA 8 -2.743 0.148 5.024 42 H THR 9 H THR 9 -1.939 -3.693 5.164 43 HA THR 9 HA THR 9 0.406 -4.789 3.862 44 HB THR 9 HB THR 9 -2.044 -6.450 4.295 45 HG1 THR 9 1HG THR 9 -0.379 -6.142 6.507 46 HG21 THR 9 3HG2 THR 9 -0.381 -8.122 4.983 47 HG22 THR 9 1HG2 THR 9 0.901 -6.925 4.794 48 HG23 THR 9 2HG2 THR 9 -0.010 -7.470 3.386 49 H CYS 10 H CYS 10 0.651 -4.791 1.740 50 HA CYS 10 HA CYS 10 -1.717 -4.723 -0.001 51 HB2 CYS 10 2HB CYS 10 -0.095 -2.858 -0.236 52 HB3 CYS 10 1HB CYS 10 1.153 -4.021 -0.666 53 H GLY 11 H GLY 11 -2.270 -6.499 -1.040 54 HA2 GLY 11 2HA GLY 11 -0.284 -8.656 -1.348 55 HA3 GLY 11 1HA GLY 11 -2.024 -8.887 -1.280 56 H LYS 12 H LYS 12 -3.209 -8.813 -3.119 57 HA LYS 12 HA LYS 12 -1.801 -8.128 -5.613 58 HB2 LYS 12 2HB LYS 12 -2.310 -10.661 -5.016 59 HB3 LYS 12 1HB LYS 12 -3.909 -10.249 -5.618 60 HG2 LYS 12 2HG LYS 12 -2.932 -9.559 -7.750 61 HG3 LYS 12 1HG LYS 12 -1.325 -9.968 -7.145 62 HD2 LYS 12 2HD LYS 12 -2.034 -12.302 -6.869 63 HD3 LYS 12 1HD LYS 12 -3.632 -11.886 -7.491 64 HE2 LYS 12 2HE LYS 12 -1.099 -11.442 -9.055 65 HE3 LYS 12 1HE LYS 12 -2.023 -12.941 -9.139 66 HZ1 LYS 12 3HZ LYS 12 -3.938 -11.675 -9.901 67 HZ2 LYS 12 1HZ LYS 12 -2.616 -11.437 -10.932 68 HZ3 LYS 12 2HZ LYS 12 -3.051 -10.237 -9.821 69 H LEU 13 H LEU 13 -5.063 -8.714 -4.251 70 HA LEU 13 HA LEU 13 -6.002 -6.242 -5.481 71 HB2 LEU 13 2HB LEU 13 -7.280 -8.937 -5.973 72 HB3 LEU 13 1HB LEU 13 -8.081 -7.412 -6.298 73 HG LEU 13 HG LEU 13 -5.430 -7.939 -7.576 74 HD11 LEU 13 1HD1 LEU 13 -8.058 -9.062 -8.539 75 HD12 LEU 13 2HD1 LEU 13 -6.668 -9.991 -7.975 76 HD13 LEU 13 3HD1 LEU 13 -6.551 -9.041 -9.456 77 HD21 LEU 13 3HD2 LEU 13 -6.479 -5.746 -7.823 78 HD22 LEU 13 1HD2 LEU 13 -7.932 -6.506 -8.473 79 HD23 LEU 13 2HD2 LEU 13 -6.415 -6.593 -9.369 80 H ARG 14 H ARG 14 -6.175 -5.365 -3.441 81 HA ARG 14 HA ARG 14 -8.534 -6.183 -1.930 82 HB2 ARG 14 2HB ARG 14 -5.762 -5.982 -0.748 83 HB3 ARG 14 1HB ARG 14 -7.206 -5.813 0.238 84 HG2 ARG 14 2HG ARG 14 -7.917 -8.060 -0.431 85 HG3 ARG 14 1HG ARG 14 -6.453 -8.227 -1.401 86 HD2 ARG 14 2HD ARG 14 -5.090 -7.967 0.614 87 HD3 ARG 14 1HD ARG 14 -6.553 -7.793 1.583 88 HE ARG 14 HE ARG 14 -6.650 -10.214 0.141 89 HH11 ARG 14 2HH1 ARG 14 -4.976 -8.792 2.881 90 HH12 ARG 14 1HH1 ARG 14 -4.709 -10.317 3.656 91 HH21 ARG 14 2HH2 ARG 14 -6.289 -12.200 1.174 92 HH22 ARG 14 1HH2 ARG 14 -5.452 -12.244 2.690 93 H LEU 15 H LEU 15 -5.803 -3.874 -1.783 94 HA LEU 15 HA LEU 15 -7.639 -1.634 -2.028 95 HB2 LEU 15 2HB LEU 15 -7.515 -2.045 0.408 96 HB3 LEU 15 1HB LEU 15 -5.772 -1.916 0.344 97 HG LEU 15 HG LEU 15 -5.971 0.475 -0.250 98 HD11 LEU 15 1HD1 LEU 15 -8.933 0.031 0.094 99 HD12 LEU 15 2HD1 LEU 15 -8.100 0.522 -1.381 100 HD13 LEU 15 3HD1 LEU 15 -8.146 1.608 0.007 101 HD21 LEU 15 3HD2 LEU 15 -7.105 1.170 1.961 102 HD22 LEU 15 1HD2 LEU 15 -5.655 0.166 2.023 103 HD23 LEU 15 2HD2 LEU 15 -7.244 -0.565 2.246 104 H TYR 16 H TYR 16 -6.705 0.190 -2.888 105 HA TYR 16 HA TYR 16 -4.059 -0.192 -4.068 106 HB2 TYR 16 2HB TYR 16 -6.291 1.761 -4.653 107 HB3 TYR 16 1HB TYR 16 -4.716 1.837 -5.434 108 HD1 TYR 16 2HD TYR 16 -7.865 -0.016 -5.178 109 HD2 TYR 16 1HD TYR 16 -4.065 0.170 -7.081 110 HE1 TYR 16 2HE TYR 16 -8.640 -1.624 -6.868 111 HE2 TYR 16 1HE TYR 16 -4.829 -1.437 -8.778 112 HH TYR 16 HH TYR 16 -6.534 -3.193 -9.015 113 H CYS 17 H CYS 17 -2.528 1.574 -4.139 114 HA CYS 17 HA CYS 17 -2.274 2.894 -1.571 115 HB2 CYS 17 2HB CYS 17 -0.479 1.868 -3.494 116 HB3 CYS 17 1HB CYS 17 -0.186 3.600 -3.410 117 H CYS 18 H CYS 18 -2.342 5.038 -1.166 118 HA CYS 18 HA CYS 18 -3.804 6.753 -2.872 119 HB2 CYS 18 2HB CYS 18 -2.877 6.777 -0.194 120 HB3 CYS 18 1HB CYS 18 -2.325 8.269 -0.945 121 H SER 19 H SER 19 -0.386 6.206 -2.470 122 HA SER 19 HA SER 19 0.296 8.507 -4.154 123 HB2 SER 19 2HB SER 19 2.661 7.915 -3.544 124 HB3 SER 19 1HB SER 19 1.645 8.332 -2.165 125 HG SER 19 HG SER 19 2.327 6.486 -1.420 126 H GLY 20 H GLY 20 0.165 5.029 -4.156 127 HA2 GLY 20 2HA GLY 20 -0.060 3.770 -6.159 128 HA3 GLY 20 1HA GLY 20 0.832 5.016 -7.013 129 H PHE 21 H PHE 21 1.635 3.216 -4.032 130 HA PHE 21 HA PHE 21 3.777 1.813 -5.425 131 HB2 PHE 21 2HB PHE 21 4.887 3.866 -4.714 132 HB3 PHE 21 1HB PHE 21 4.303 3.655 -3.071 133 HD1 PHE 21 2HD PHE 21 5.175 1.715 -1.721 134 HD2 PHE 21 1HD PHE 21 6.917 2.886 -5.423 135 HE1 PHE 21 2HE PHE 21 7.219 0.475 -1.147 136 HE2 PHE 21 1HE PHE 21 8.968 1.651 -4.843 137 HZ PHE 21 HZ PHE 21 9.106 0.449 -2.690 138 H CYS 22 H CYS 22 3.465 -0.223 -4.950 139 HA CYS 22 HA CYS 22 2.770 -0.986 -2.192 140 HB2 CYS 22 2HB CYS 22 1.816 -1.975 -4.819 141 HB3 CYS 22 1HB CYS 22 2.132 -3.207 -3.602 142 H ASP 23 H ASP 23 4.477 -1.753 -1.138 143 HA ASP 23 HA ASP 23 6.802 -2.771 -2.502 144 HB2 ASP 23 2HB ASP 23 6.265 -1.656 0.040 145 HB3 ASP 23 1HB ASP 23 6.892 -3.277 0.326 146 H SER 24 H SER 24 7.063 -4.772 -3.157 147 HA SER 24 HA SER 24 5.357 -6.914 -2.178 148 HB2 SER 24 2HB SER 24 5.761 -6.551 -4.622 149 HB3 SER 24 1HB SER 24 7.443 -7.015 -4.366 150 HG SER 24 HG SER 24 6.706 -8.958 -4.700 151 H TYR 25 H TYR 25 8.393 -5.687 -1.405 152 HA TYR 25 HA TYR 25 9.730 -8.160 -0.775 153 HB2 TYR 25 2HB TYR 25 10.740 -5.800 -1.336 154 HB3 TYR 25 1HB TYR 25 10.535 -5.516 0.387 155 HD1 TYR 25 1HD TYR 25 12.373 -7.411 -2.152 156 HD2 TYR 25 2HD TYR 25 11.888 -6.711 2.016 157 HE1 TYR 25 1HE TYR 25 14.506 -8.556 -1.717 158 HE2 TYR 25 2HE TYR 25 14.019 -7.853 2.463 159 HH TYR 25 HH TYR 25 15.477 -9.516 1.387 160 H THR 26 H THR 26 7.617 -5.951 0.857 161 HA THR 26 HA THR 26 7.772 -7.585 3.302 162 HB THR 26 HB THR 26 7.174 -5.479 4.583 163 HG1 THR 26 1HG THR 26 7.430 -3.534 3.585 164 HG21 THR 26 3HG2 THR 26 9.424 -6.427 4.669 165 HG22 THR 26 1HG2 THR 26 9.491 -4.665 4.683 166 HG23 THR 26 2HG2 THR 26 9.862 -5.549 3.203 167 H LYS 27 H LYS 27 5.902 -6.674 0.753 168 HA LYS 27 HA LYS 27 3.704 -6.709 0.205 169 HB2 LYS 27 2HB LYS 27 3.614 -8.459 2.665 170 HB3 LYS 27 1HB LYS 27 2.200 -8.173 1.661 171 HG2 LYS 27 2HG LYS 27 3.364 -9.134 -0.260 172 HG3 LYS 27 1HG LYS 27 4.788 -9.416 0.744 173 HD2 LYS 27 2HD LYS 27 3.474 -10.901 2.183 174 HD3 LYS 27 1HD LYS 27 2.054 -10.619 1.175 175 HE2 LYS 27 2HE LYS 27 3.221 -11.595 -0.741 176 HE3 LYS 27 1HE LYS 27 4.644 -11.870 0.264 177 HZ1 LYS 27 3HZ LYS 27 3.322 -13.876 0.039 178 HZ2 LYS 27 1HZ LYS 27 1.968 -13.092 0.682 179 HZ3 LYS 27 2HZ LYS 27 3.330 -13.356 1.648 180 H THR 28 H THR 28 4.383 -4.366 1.255 181 HA THR 28 HA THR 28 1.954 -3.530 2.671 182 HB THR 28 HB THR 28 3.379 -1.934 4.060 183 HG1 THR 28 1HG THR 28 5.503 -3.656 4.065 184 HG21 THR 28 3HG2 THR 28 3.835 -3.611 5.793 185 HG22 THR 28 1HG2 THR 28 3.619 -4.896 4.604 186 HG23 THR 28 2HG2 THR 28 2.258 -3.866 5.047 187 H CYS 29 H CYS 29 1.496 -1.254 2.512 188 HA CYS 29 HA CYS 29 2.309 -0.147 -0.049 189 HB2 CYS 29 2HB CYS 29 -0.028 -0.051 1.571 190 HB3 CYS 29 1HB CYS 29 0.558 1.599 1.387 191 H LYS 30 H LYS 30 3.686 1.510 -0.341 192 HA LYS 30 HA LYS 30 4.416 3.203 1.953 193 HB2 LYS 30 2HB LYS 30 6.391 1.780 0.163 194 HB3 LYS 30 1HB LYS 30 6.830 3.050 1.281 195 HG2 LYS 30 2HG LYS 30 5.829 1.557 3.096 196 HG3 LYS 30 1HG LYS 30 5.862 0.278 1.878 197 HD2 LYS 30 2HD LYS 30 8.270 0.604 1.599 198 HD3 LYS 30 1HD LYS 30 8.239 1.882 2.816 199 HE2 LYS 30 2HE LYS 30 7.475 0.270 4.489 200 HE3 LYS 30 1HE LYS 30 7.499 -1.007 3.272 201 HZ1 LYS 30 3HZ LYS 30 9.486 -1.053 4.640 202 HZ2 LYS 30 1HZ LYS 30 9.860 0.538 4.201 203 HZ3 LYS 30 2HZ LYS 30 9.882 -0.690 3.037 204 H ASP 31 H ASP 31 5.821 5.096 1.215 205 HA ASP 31 HA ASP 31 4.586 6.307 -1.126 206 HB2 ASP 31 2HB ASP 31 6.359 7.405 1.062 207 HB3 ASP 31 1HB ASP 31 5.836 8.365 -0.317 208 H LYS 32 H LYS 32 5.899 7.492 -2.713 209 HA LYS 32 HA LYS 32 8.189 5.908 -3.550 210 HB2 LYS 32 2HB LYS 32 6.660 8.147 -4.883 211 HB3 LYS 32 1HB LYS 32 8.088 7.408 -5.593 212 HG2 LYS 32 2HG LYS 32 6.909 5.217 -5.519 213 HG3 LYS 32 1HG LYS 32 5.463 6.073 -4.980 214 HD2 LYS 32 2HD LYS 32 5.469 7.396 -7.029 215 HD3 LYS 32 1HD LYS 32 6.937 6.576 -7.564 216 HE2 LYS 32 2HE LYS 32 5.731 4.442 -7.574 217 HE3 LYS 32 1HE LYS 32 4.265 5.271 -7.053 218 HZ1 LYS 32 3HZ LYS 32 5.712 5.754 -9.601 219 HZ2 LYS 32 1HZ LYS 32 4.306 6.552 -9.102 220 HZ3 LYS 32 2HZ LYS 32 4.266 4.894 -9.436 221 H SER 33 H SER 33 7.503 9.268 -2.632 222 HA SER 33 HA SER 33 10.403 9.784 -2.503 223 HB2 SER 33 2HB SER 33 8.135 11.755 -2.881 224 HB3 SER 33 1HB SER 33 9.841 12.179 -2.757 225 HG SER 33 HG SER 33 9.457 10.272 -4.629 226 H SER 34 H SER 34 11.229 10.934 -0.727 227 HA SER 34 HA SER 34 9.650 10.621 1.719 228 HB2 SER 34 2HB SER 34 12.616 11.106 1.346 229 HB3 SER 34 1HB SER 34 11.812 10.859 2.897 230 HG SER 34 HG SER 34 11.060 8.805 1.840 231 H ALA 35 H ALA 35 11.539 13.051 -0.044 232 HA ALA 35 HA ALA 35 10.303 15.141 1.628 233 HB1 ALA 35 1HB ALA 35 12.721 14.986 1.994 234 HB2 ALA 35 2HB ALA 35 12.275 16.522 1.249 235 HB3 ALA 35 3HB ALA 35 12.998 15.243 0.272 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -13.598 7.299 -5.093 2 H2 GLY 1 2HT GLY 1 -12.013 7.232 -4.507 3 H3 GLY 1 3HT GLY 1 -13.194 8.088 -3.651 4 HA2 GLY 1 1HA GLY 1 -14.399 6.041 -3.202 5 HA3 GLY 1 2HA GLY 1 -13.170 5.151 -4.090 6 H TRP 2 H TRP 2 -12.672 3.882 -2.289 7 HA TRP 2 HA TRP 2 -11.559 5.219 0.065 8 HB2 TRP 2 2HB TRP 2 -12.253 2.325 -0.473 9 HB3 TRP 2 1HB TRP 2 -11.479 2.882 1.006 10 HD1 TRP 2 HD TRP 2 -14.822 3.067 -0.871 11 HE1 TRP 2 1HE TRP 2 -16.665 3.737 0.794 12 HE3 TRP 2 3HE TRP 2 -11.911 4.068 3.226 13 HZ2 TRP 2 2HZ TRP 2 -16.866 4.575 3.478 14 HZ3 TRP 2 3HZ TRP 2 -13.015 4.797 5.300 15 HH2 TRP 2 HH TRP 2 -15.440 5.046 5.421 16 H CYS 3 H CYS 3 -9.448 5.313 0.498 17 HA CYS 3 HA CYS 3 -7.603 3.759 -1.197 18 HB2 CYS 3 2HB CYS 3 -7.708 6.299 -1.558 19 HB3 CYS 3 1HB CYS 3 -6.932 6.436 0.017 20 H GLY 4 H GLY 4 -5.567 3.156 -0.236 21 HA2 GLY 4 2HA GLY 4 -5.872 2.448 2.578 22 HA3 GLY 4 1HA GLY 4 -4.676 1.805 1.465 23 H ASP 5 H ASP 5 -4.475 2.939 4.207 24 HA ASP 5 HA ASP 5 -2.836 5.324 3.816 25 HB2 ASP 5 2HB ASP 5 -3.900 3.921 6.269 26 HB3 ASP 5 1HB ASP 5 -2.739 5.239 6.372 27 HA HYP 6 HA HYP 6 1.170 3.339 4.041 28 HB2 HYP 6 2HB HYP 6 1.948 5.049 6.345 29 HB3 HYP 6 1HB HYP 6 2.718 4.878 4.754 30 HG HYP 6 2HG HYP 6 1.363 7.082 5.360 31 HD22 HYP 6 1HD HYP 6 -0.941 6.410 4.111 32 HD23 HYP 6 2HD HYP 6 -0.753 6.266 5.871 33 HD1 HYP 6 1HG HYP 6 1.769 7.269 3.278 34 H GLY 7 H GLY 7 1.812 1.476 4.884 35 HA2 GLY 7 2HA GLY 7 2.544 0.101 6.707 36 HA3 GLY 7 1HA GLY 7 1.417 0.949 7.754 37 H ALA 8 H ALA 8 0.031 0.231 4.767 38 HA ALA 8 HA ALA 8 -1.503 -1.977 5.936 39 HB1 ALA 8 1HB ALA 8 -2.106 -0.279 3.516 40 HB2 ALA 8 2HB ALA 8 -2.771 -0.042 5.131 41 HB3 ALA 8 3HB ALA 8 -3.167 -1.499 4.220 42 H THR 9 H THR 9 -1.981 -3.860 4.699 43 HA THR 9 HA THR 9 0.256 -4.834 3.169 44 HB THR 9 HB THR 9 -2.269 -6.417 3.312 45 HG1 THR 9 1HG THR 9 -0.603 -5.900 5.572 46 HG21 THR 9 3HG2 THR 9 -0.710 -8.248 3.759 47 HG22 THR 9 1HG2 THR 9 0.629 -7.103 3.835 48 HG23 THR 9 2HG2 THR 9 -0.227 -7.357 2.316 49 H CYS 10 H CYS 10 0.501 -4.716 1.042 50 HA CYS 10 HA CYS 10 -1.811 -4.031 -0.639 51 HB2 CYS 10 2HB CYS 10 0.159 -2.507 -0.674 52 HB3 CYS 10 1HB CYS 10 1.136 -3.832 -1.294 53 H GLY 11 H GLY 11 -2.244 -5.130 -2.562 54 HA2 GLY 11 2HA GLY 11 -0.732 -7.273 -3.599 55 HA3 GLY 11 1HA GLY 11 -1.959 -7.917 -2.520 56 H LYS 12 H LYS 12 -3.223 -8.922 -4.012 57 HA LYS 12 HA LYS 12 -4.251 -7.374 -6.277 58 HB2 LYS 12 2HB LYS 12 -4.264 -10.319 -5.634 59 HB3 LYS 12 1HB LYS 12 -5.242 -9.646 -6.931 60 HG2 LYS 12 2HG LYS 12 -3.227 -8.812 -8.027 61 HG3 LYS 12 1HG LYS 12 -2.242 -9.472 -6.719 62 HD2 LYS 12 2HD LYS 12 -3.027 -11.727 -7.272 63 HD3 LYS 12 1HD LYS 12 -4.006 -11.062 -8.582 64 HE2 LYS 12 2HE LYS 12 -1.979 -10.236 -9.676 65 HE3 LYS 12 1HE LYS 12 -1.002 -10.897 -8.365 66 HZ1 LYS 12 3HZ LYS 12 -1.764 -13.110 -8.959 67 HZ2 LYS 12 1HZ LYS 12 -1.024 -12.364 -10.285 68 HZ3 LYS 12 2HZ LYS 12 -2.709 -12.479 -10.210 69 H LEU 13 H LEU 13 -5.401 -9.256 -3.490 70 HA LEU 13 HA LEU 13 -8.149 -8.372 -3.941 71 HB2 LEU 13 2HB LEU 13 -6.929 -10.296 -1.961 72 HB3 LEU 13 1HB LEU 13 -8.624 -9.851 -1.948 73 HG LEU 13 HG LEU 13 -8.503 -10.677 -4.469 74 HD11 LEU 13 1HD1 LEU 13 -7.027 -12.610 -4.699 75 HD12 LEU 13 2HD1 LEU 13 -6.321 -12.263 -3.119 76 HD13 LEU 13 3HD1 LEU 13 -6.107 -11.125 -4.450 77 HD21 LEU 13 3HD2 LEU 13 -8.660 -12.505 -2.075 78 HD22 LEU 13 1HD2 LEU 13 -9.252 -12.881 -3.695 79 HD23 LEU 13 2HD2 LEU 13 -9.986 -11.572 -2.768 80 H ARG 14 H ARG 14 -5.470 -7.167 -2.435 81 HA ARG 14 HA ARG 14 -6.823 -6.014 -0.125 82 HB2 ARG 14 2HB ARG 14 -3.964 -6.065 -1.075 83 HB3 ARG 14 1HB ARG 14 -4.474 -4.999 0.227 84 HG2 ARG 14 2HG ARG 14 -4.915 -6.756 1.672 85 HG3 ARG 14 1HG ARG 14 -5.079 -7.924 0.360 86 HD2 ARG 14 2HD ARG 14 -2.468 -6.570 0.978 87 HD3 ARG 14 1HD ARG 14 -2.969 -8.052 1.792 88 HE ARG 14 HE ARG 14 -3.027 -8.144 -1.102 89 HH11 ARG 14 2HH1 ARG 14 -1.136 -8.822 1.779 90 HH12 ARG 14 1HH1 ARG 14 -0.107 -9.960 0.974 91 HH21 ARG 14 2HH2 ARG 14 -1.670 -9.641 -2.133 92 HH22 ARG 14 1HH2 ARG 14 -0.409 -10.422 -1.238 93 H LEU 15 H LEU 15 -6.156 -3.582 0.277 94 HA LEU 15 HA LEU 15 -7.429 -2.038 -1.758 95 HB2 LEU 15 2HB LEU 15 -6.933 -1.762 0.967 96 HB3 LEU 15 1HB LEU 15 -5.985 -0.484 0.235 97 HG LEU 15 HG LEU 15 -8.867 -0.790 -0.530 98 HD11 LEU 15 1HD1 LEU 15 -9.497 0.697 1.305 99 HD12 LEU 15 2HD1 LEU 15 -7.857 0.595 1.948 100 HD13 LEU 15 3HD1 LEU 15 -8.877 -0.843 1.900 101 HD21 LEU 15 3HD2 LEU 15 -6.990 1.562 -0.289 102 HD22 LEU 15 1HD2 LEU 15 -8.686 1.661 -0.764 103 HD23 LEU 15 2HD2 LEU 15 -7.535 0.798 -1.782 104 H TYR 16 H TYR 16 -6.575 -0.177 -2.842 105 HA TYR 16 HA TYR 16 -3.930 -0.632 -3.916 106 HB2 TYR 16 2HB TYR 16 -6.120 1.331 -4.602 107 HB3 TYR 16 1HB TYR 16 -4.559 1.317 -5.414 108 HD1 TYR 16 2HD TYR 16 -7.738 -0.444 -4.976 109 HD2 TYR 16 1HD TYR 16 -3.966 -0.479 -6.943 110 HE1 TYR 16 2HE TYR 16 -8.572 -2.155 -6.531 111 HE2 TYR 16 1HE TYR 16 -4.789 -2.190 -8.505 112 HH TYR 16 HH TYR 16 -8.074 -2.991 -8.789 113 H CYS 17 H CYS 17 -2.415 1.179 -4.261 114 HA CYS 17 HA CYS 17 -1.952 2.605 -1.776 115 HB2 CYS 17 2HB CYS 17 -0.325 1.488 -3.814 116 HB3 CYS 17 1HB CYS 17 0.000 3.217 -3.779 117 H CYS 18 H CYS 18 -1.976 4.775 -1.478 118 HA CYS 18 HA CYS 18 -3.499 6.396 -3.272 119 HB2 CYS 18 2HB CYS 18 -1.931 7.201 -0.815 120 HB3 CYS 18 1HB CYS 18 -3.135 8.187 -1.635 121 H SER 19 H SER 19 -0.080 5.982 -2.650 122 HA SER 19 HA SER 19 0.648 8.286 -4.290 123 HB2 SER 19 2HB SER 19 2.377 6.310 -2.784 124 HB3 SER 19 1HB SER 19 2.967 7.739 -3.633 125 HG SER 19 HG SER 19 1.580 8.971 -2.208 126 H GLY 20 H GLY 20 0.489 4.808 -4.460 127 HA2 GLY 20 2HA GLY 20 0.311 3.650 -6.528 128 HA3 GLY 20 1HA GLY 20 1.228 4.935 -7.296 129 H PHE 21 H PHE 21 2.241 3.432 -4.281 130 HA PHE 21 HA PHE 21 4.220 1.807 -5.693 131 HB2 PHE 21 2HB PHE 21 5.485 3.796 -5.303 132 HB3 PHE 21 1HB PHE 21 4.879 3.950 -3.662 133 HD1 PHE 21 1HD PHE 21 6.762 1.425 -5.712 134 HD2 PHE 21 2HD PHE 21 6.357 3.446 -1.983 135 HE1 PHE 21 1HE PHE 21 8.737 0.234 -4.850 136 HE2 PHE 21 2HE PHE 21 8.334 2.260 -1.127 137 HZ PHE 21 HZ PHE 21 9.521 0.657 -2.555 138 H CYS 22 H CYS 22 3.984 -0.167 -5.012 139 HA CYS 22 HA CYS 22 3.369 -0.679 -2.178 140 HB2 CYS 22 2HB CYS 22 2.604 -2.195 -4.671 141 HB3 CYS 22 1HB CYS 22 2.544 -2.939 -3.078 142 H ASP 23 H ASP 23 4.980 -1.527 -1.047 143 HA ASP 23 HA ASP 23 7.360 -2.511 -2.352 144 HB2 ASP 23 2HB ASP 23 6.746 -1.358 0.161 145 HB3 ASP 23 1HB ASP 23 7.407 -2.959 0.485 146 H SER 24 H SER 24 7.706 -4.522 -2.923 147 HA SER 24 HA SER 24 5.956 -6.664 -2.064 148 HB2 SER 24 2HB SER 24 8.243 -6.647 -4.045 149 HB3 SER 24 1HB SER 24 7.145 -7.999 -3.773 150 HG SER 24 HG SER 24 6.800 -5.831 -5.315 151 H TYR 25 H TYR 25 8.883 -5.403 -0.969 152 HA TYR 25 HA TYR 25 10.191 -7.825 -0.167 153 HB2 TYR 25 2HB TYR 25 11.146 -5.395 -0.510 154 HB3 TYR 25 1HB TYR 25 10.701 -5.197 1.180 155 HD1 TYR 25 2HD TYR 25 11.874 -6.421 2.928 156 HD2 TYR 25 1HD TYR 25 12.958 -6.877 -1.161 157 HE1 TYR 25 2HE TYR 25 13.981 -7.490 3.611 158 HE2 TYR 25 1HE TYR 25 15.067 -7.948 -0.489 159 HH TYR 25 HH TYR 25 15.656 -9.026 2.672 160 H THR 26 H THR 26 7.646 -5.918 1.105 161 HA THR 26 HA THR 26 7.502 -7.611 3.492 162 HB THR 26 HB THR 26 6.746 -5.582 4.816 163 HG1 THR 26 1HG THR 26 8.024 -3.663 3.703 164 HG21 THR 26 3HG2 THR 26 8.941 -6.596 5.172 165 HG22 THR 26 1HG2 THR 26 9.032 -4.841 5.328 166 HG23 THR 26 2HG2 THR 26 9.613 -5.627 3.860 167 H LYS 27 H LYS 27 6.048 -6.501 0.763 168 HA LYS 27 HA LYS 27 3.956 -6.443 -0.108 169 HB2 LYS 27 2HB LYS 27 3.474 -8.335 2.197 170 HB3 LYS 27 1HB LYS 27 2.226 -7.948 1.022 171 HG2 LYS 27 2HG LYS 27 3.645 -8.818 -0.771 172 HG3 LYS 27 1HG LYS 27 4.892 -9.212 0.414 173 HD2 LYS 27 2HD LYS 27 3.344 -10.741 1.534 174 HD3 LYS 27 1HD LYS 27 2.095 -10.344 0.352 175 HE2 LYS 27 2HE LYS 27 3.509 -11.230 -1.437 176 HE3 LYS 27 1HE LYS 27 4.757 -11.626 -0.256 177 HZ1 LYS 27 3HZ LYS 27 3.430 -13.561 -0.816 178 HZ2 LYS 27 1HZ LYS 27 2.016 -12.769 -0.326 179 HZ3 LYS 27 2HZ LYS 27 3.211 -13.150 0.809 180 H THR 28 H THR 28 4.554 -4.207 1.265 181 HA THR 28 HA THR 28 1.970 -3.436 2.457 182 HB THR 28 HB THR 28 3.281 -1.831 3.936 183 HG1 THR 28 1HG THR 28 5.468 -3.458 4.014 184 HG21 THR 28 3HG2 THR 28 3.731 -3.530 5.650 185 HG22 THR 28 1HG2 THR 28 3.610 -4.794 4.426 186 HG23 THR 28 2HG2 THR 28 2.194 -3.825 4.837 187 H CYS 29 H CYS 29 1.538 -1.115 2.401 188 HA CYS 29 HA CYS 29 2.286 0.018 -0.159 189 HB2 CYS 29 2HB CYS 29 0.061 0.227 1.653 190 HB3 CYS 29 1HB CYS 29 0.670 1.833 1.277 191 H LYS 30 H LYS 30 3.790 1.516 -0.477 192 HA LYS 30 HA LYS 30 4.661 3.201 1.771 193 HB2 LYS 30 2HB LYS 30 6.430 1.621 -0.095 194 HB3 LYS 30 1HB LYS 30 7.027 2.956 0.879 195 HG2 LYS 30 2HG LYS 30 6.104 1.659 2.885 196 HG3 LYS 30 1HG LYS 30 6.000 0.290 1.775 197 HD2 LYS 30 2HD LYS 30 8.389 0.487 1.299 198 HD3 LYS 30 1HD LYS 30 8.497 1.864 2.398 199 HE2 LYS 30 2HE LYS 30 7.806 0.431 4.257 200 HE3 LYS 30 1HE LYS 30 7.694 -0.943 3.157 201 HZ1 LYS 30 3HZ LYS 30 9.776 -0.960 4.372 202 HZ2 LYS 30 1HZ LYS 30 10.168 0.577 3.783 203 HZ3 LYS 30 2HZ LYS 30 10.064 -0.735 2.721 204 H ASP 31 H ASP 31 5.841 5.145 1.099 205 HA ASP 31 HA ASP 31 4.664 6.306 -1.295 206 HB2 ASP 31 2HB ASP 31 6.257 7.487 0.985 207 HB3 ASP 31 1HB ASP 31 5.742 8.424 -0.413 208 H LYS 32 H LYS 32 5.792 7.124 -3.031 209 HA LYS 32 HA LYS 32 8.482 6.044 -3.406 210 HB2 LYS 32 2HB LYS 32 6.392 5.924 -5.054 211 HB3 LYS 32 1HB LYS 32 7.034 7.470 -5.589 212 HG2 LYS 32 2HG LYS 32 9.179 6.418 -6.084 213 HG3 LYS 32 1HG LYS 32 8.549 4.866 -5.528 214 HD2 LYS 32 2HD LYS 32 6.845 4.933 -7.289 215 HD3 LYS 32 1HD LYS 32 7.485 6.481 -7.846 216 HE2 LYS 32 2HE LYS 32 9.628 5.414 -8.343 217 HE3 LYS 32 1HE LYS 32 8.992 3.869 -7.782 218 HZ1 LYS 32 3HZ LYS 32 8.910 4.035 -10.188 219 HZ2 LYS 32 1HZ LYS 32 7.957 5.430 -10.087 220 HZ3 LYS 32 2HZ LYS 32 7.345 3.947 -9.550 221 H SER 33 H SER 33 6.742 9.138 -3.595 222 HA SER 33 HA SER 33 9.309 10.557 -3.786 223 HB2 SER 33 2HB SER 33 7.894 12.525 -4.451 224 HB3 SER 33 1HB SER 33 7.809 11.165 -5.569 225 HG SER 33 HG SER 33 5.807 12.364 -4.389 226 H SER 34 H SER 34 9.840 12.196 -2.365 227 HA SER 34 HA SER 34 8.131 12.492 0.014 228 HB2 SER 34 2HB SER 34 11.147 12.225 -0.017 229 HB3 SER 34 1HB SER 34 10.171 12.566 1.411 230 HG SER 34 HG SER 34 9.445 10.340 -0.077 231 H ALA 35 H ALA 35 10.718 13.910 -1.959 232 HA ALA 35 HA ALA 35 11.347 16.026 -2.457 233 HB1 ALA 35 1HB ALA 35 9.011 16.256 -3.187 234 HB2 ALA 35 2HB ALA 35 9.672 17.773 -2.577 235 HB3 ALA 35 3HB ALA 35 8.573 16.825 -1.575 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -13.673 2.439 -4.333 2 H2 GLY 1 2HT GLY 1 -14.026 3.047 -5.871 3 H3 GLY 1 3HT GLY 1 -14.408 3.955 -4.496 4 HA2 GLY 1 1HA GLY 1 -11.671 3.259 -5.413 5 HA3 GLY 1 2HA GLY 1 -12.436 4.832 -5.582 6 H TRP 2 H TRP 2 -11.310 2.452 -3.229 7 HA TRP 2 HA TRP 2 -11.268 4.482 -1.121 8 HB2 TRP 2 2HB TRP 2 -10.858 1.489 -1.067 9 HB3 TRP 2 1HB TRP 2 -10.611 2.518 0.338 10 HD1 TRP 2 HD TRP 2 -13.362 1.051 -1.857 11 HE1 TRP 2 1HE TRP 2 -15.628 1.362 -0.681 12 HE3 TRP 2 3HE TRP 2 -11.876 4.051 2.021 13 HZ2 TRP 2 2HZ TRP 2 -16.654 2.694 1.581 14 HZ3 TRP 2 3HZ TRP 2 -13.568 4.797 3.644 15 HH2 TRP 2 HH TRP 2 -15.907 4.132 3.426 16 H CYS 3 H CYS 3 -9.433 5.211 -0.147 17 HA CYS 3 HA CYS 3 -6.907 4.634 -1.529 18 HB2 CYS 3 2HB CYS 3 -7.998 7.027 -1.084 19 HB3 CYS 3 1HB CYS 3 -7.142 6.855 0.443 20 H GLY 4 H GLY 4 -5.207 3.726 -0.516 21 HA2 GLY 4 2HA GLY 4 -5.625 2.743 2.209 22 HA3 GLY 4 1HA GLY 4 -4.412 2.173 1.076 23 H ASP 5 H ASP 5 -4.461 3.280 3.943 24 HA ASP 5 HA ASP 5 -2.647 5.548 3.735 25 HB2 ASP 5 2HB ASP 5 -3.967 4.158 6.068 26 HB3 ASP 5 1HB ASP 5 -2.763 5.424 6.284 27 HA HYP 6 HA HYP 6 1.213 3.342 4.238 28 HB2 HYP 6 2HB HYP 6 1.938 5.014 6.581 29 HB3 HYP 6 1HB HYP 6 2.784 4.812 5.034 30 HG HYP 6 2HG HYP 6 1.502 7.077 5.588 31 HD22 HYP 6 1HD HYP 6 -0.748 6.532 4.190 32 HD23 HYP 6 2HD HYP 6 -0.677 6.357 5.957 33 HD1 HYP 6 1HG HYP 6 0.753 6.548 3.085 34 H GLY 7 H GLY 7 1.742 1.472 5.152 35 HA2 GLY 7 2HA GLY 7 2.276 0.106 7.056 36 HA3 GLY 7 1HA GLY 7 1.069 0.987 7.979 37 H ALA 8 H ALA 8 -0.056 0.281 4.888 38 HA ALA 8 HA ALA 8 -1.721 -1.900 5.920 39 HB1 ALA 8 1HB ALA 8 -3.221 -1.401 4.063 40 HB2 ALA 8 2HB ALA 8 -2.084 -0.198 3.453 41 HB3 ALA 8 3HB ALA 8 -2.884 0.052 5.004 42 H THR 9 H THR 9 -2.110 -3.783 4.656 43 HA THR 9 HA THR 9 0.235 -4.719 3.234 44 HB THR 9 HB THR 9 -2.229 -6.401 3.459 45 HG1 THR 9 1HG THR 9 -2.232 -6.313 5.567 46 HG21 THR 9 3HG2 THR 9 -0.209 -7.314 2.413 47 HG22 THR 9 1HG2 THR 9 -0.580 -8.163 3.914 48 HG23 THR 9 2HG2 THR 9 0.713 -6.964 3.876 49 H CYS 10 H CYS 10 0.486 -4.652 1.106 50 HA CYS 10 HA CYS 10 -1.835 -4.085 -0.601 51 HB2 CYS 10 2HB CYS 10 0.112 -2.530 -0.665 52 HB3 CYS 10 1HB CYS 10 1.108 -3.853 -1.261 53 H GLY 11 H GLY 11 -2.195 -5.213 -2.538 54 HA2 GLY 11 2HA GLY 11 -0.647 -7.383 -3.467 55 HA3 GLY 11 1HA GLY 11 -1.929 -7.995 -2.435 56 H LYS 12 H LYS 12 -3.316 -8.926 -3.810 57 HA LYS 12 HA LYS 12 -4.145 -7.458 -6.217 58 HB2 LYS 12 2HB LYS 12 -4.313 -10.373 -5.465 59 HB3 LYS 12 1HB LYS 12 -5.204 -9.708 -6.827 60 HG2 LYS 12 2HG LYS 12 -3.096 -8.994 -7.849 61 HG3 LYS 12 1HG LYS 12 -2.211 -9.684 -6.488 62 HD2 LYS 12 2HD LYS 12 -3.092 -11.899 -7.036 63 HD3 LYS 12 1HD LYS 12 -3.993 -11.211 -8.387 64 HE2 LYS 12 2HE LYS 12 -2.049 -12.146 -9.334 65 HE3 LYS 12 1HE LYS 12 -1.761 -10.408 -9.283 66 HZ1 LYS 12 3HZ LYS 12 -0.449 -10.722 -7.276 67 HZ2 LYS 12 1HZ LYS 12 0.175 -11.650 -8.547 68 HZ3 LYS 12 2HZ LYS 12 -0.728 -12.389 -7.324 69 H LEU 13 H LEU 13 -5.491 -9.241 -3.448 70 HA LEU 13 HA LEU 13 -8.147 -8.132 -3.991 71 HB2 LEU 13 2HB LEU 13 -7.203 -10.282 -2.093 72 HB3 LEU 13 1HB LEU 13 -8.855 -9.698 -2.144 73 HG LEU 13 HG LEU 13 -7.634 -10.741 -4.665 74 HD11 LEU 13 1HD1 LEU 13 -8.334 -13.014 -4.074 75 HD12 LEU 13 2HD1 LEU 13 -8.713 -12.467 -2.440 76 HD13 LEU 13 3HD1 LEU 13 -7.048 -12.429 -3.019 77 HD21 LEU 13 3HD2 LEU 13 -9.941 -11.456 -5.073 78 HD22 LEU 13 1HD2 LEU 13 -9.856 -9.729 -4.721 79 HD23 LEU 13 2HD2 LEU 13 -10.410 -10.856 -3.482 80 H ARG 14 H ARG 14 -5.508 -7.073 -2.473 81 HA ARG 14 HA ARG 14 -6.747 -6.109 -0.017 82 HB2 ARG 14 2HB ARG 14 -3.941 -6.034 -1.114 83 HB3 ARG 14 1HB ARG 14 -4.402 -5.101 0.305 84 HG2 ARG 14 2HG ARG 14 -4.817 -7.020 1.575 85 HG3 ARG 14 1HG ARG 14 -4.887 -8.055 0.149 86 HD2 ARG 14 2HD ARG 14 -2.500 -7.719 -0.220 87 HD3 ARG 14 1HD ARG 14 -2.424 -6.659 1.186 88 HE ARG 14 HE ARG 14 -3.319 -8.811 2.361 89 HH11 ARG 14 1HH1 ARG 14 -0.891 -8.690 -0.174 90 HH12 ARG 14 2HH1 ARG 14 -0.088 -10.126 0.367 91 HH21 ARG 14 1HH2 ARG 14 -2.250 -10.687 3.054 92 HH22 ARG 14 2HH2 ARG 14 -0.859 -11.255 2.193 93 H LEU 15 H LEU 15 -6.006 -3.697 0.515 94 HA LEU 15 HA LEU 15 -7.451 -2.007 -1.267 95 HB2 LEU 15 2HB LEU 15 -6.791 -1.928 1.388 96 HB3 LEU 15 1HB LEU 15 -5.728 -0.704 0.726 97 HG LEU 15 HG LEU 15 -8.665 -0.633 0.102 98 HD11 LEU 15 1HD1 LEU 15 -7.353 0.486 2.575 99 HD12 LEU 15 2HD1 LEU 15 -8.517 -0.839 2.525 100 HD13 LEU 15 3HD1 LEU 15 -9.011 0.789 2.057 101 HD21 LEU 15 3HD2 LEU 15 -6.511 1.469 0.336 102 HD22 LEU 15 1HD2 LEU 15 -8.213 1.799 0.011 103 HD23 LEU 15 2HD2 LEU 15 -7.254 0.880 -1.148 104 H TYR 16 H TYR 16 -6.709 -0.142 -2.376 105 HA TYR 16 HA TYR 16 -4.171 -0.508 -3.701 106 HB2 TYR 16 2HB TYR 16 -6.461 0.267 -4.702 107 HB3 TYR 16 1HB TYR 16 -5.968 1.858 -4.138 108 HD1 TYR 16 2HD TYR 16 -5.211 -0.869 -6.488 109 HD2 TYR 16 1HD TYR 16 -4.197 3.069 -5.237 110 HE1 TYR 16 2HE TYR 16 -3.888 -0.565 -8.538 111 HE2 TYR 16 1HE TYR 16 -2.871 3.384 -7.284 112 HH TYR 16 HH TYR 16 -3.056 1.277 -9.937 113 H CYS 17 H CYS 17 -2.647 1.273 -4.023 114 HA CYS 17 HA CYS 17 -2.005 2.571 -1.509 115 HB2 CYS 17 2HB CYS 17 -0.525 1.510 -3.678 116 HB3 CYS 17 1HB CYS 17 -0.158 3.228 -3.596 117 H CYS 18 H CYS 18 -1.954 4.717 -1.107 118 HA CYS 18 HA CYS 18 -3.560 6.472 -2.665 119 HB2 CYS 18 2HB CYS 18 -1.859 6.797 -0.215 120 HB3 CYS 18 1HB CYS 18 -2.555 8.208 -1.007 121 H SER 19 H SER 19 -0.081 6.020 -2.342 122 HA SER 19 HA SER 19 0.502 8.316 -4.048 123 HB2 SER 19 2HB SER 19 1.879 7.813 -2.007 124 HB3 SER 19 1HB SER 19 2.445 6.351 -2.813 125 HG SER 19 HG SER 19 2.676 8.691 -4.272 126 H GLY 20 H GLY 20 0.349 4.836 -4.193 127 HA2 GLY 20 2HA GLY 20 0.014 3.673 -6.241 128 HA3 GLY 20 1HA GLY 20 0.871 4.955 -7.079 129 H PHE 21 H PHE 21 2.081 3.437 -4.143 130 HA PHE 21 HA PHE 21 3.982 1.843 -5.696 131 HB2 PHE 21 2HB PHE 21 5.269 3.815 -5.325 132 HB3 PHE 21 1HB PHE 21 4.727 3.952 -3.661 133 HD1 PHE 21 2HD PHE 21 6.539 1.458 -5.811 134 HD2 PHE 21 1HD PHE 21 6.263 3.425 -2.042 135 HE1 PHE 21 2HE PHE 21 8.548 0.263 -5.037 136 HE2 PHE 21 1HE PHE 21 8.271 2.234 -1.273 137 HZ PHE 21 HZ PHE 21 9.411 0.656 -2.766 138 H CYS 22 H CYS 22 3.835 -0.151 -5.041 139 HA CYS 22 HA CYS 22 3.308 -0.727 -2.202 140 HB2 CYS 22 2HB CYS 22 2.527 -2.236 -4.698 141 HB3 CYS 22 1HB CYS 22 2.493 -2.979 -3.104 142 H ASP 23 H ASP 23 4.941 -1.596 -1.121 143 HA ASP 23 HA ASP 23 7.310 -2.511 -2.503 144 HB2 ASP 23 2HB ASP 23 6.746 -1.395 0.039 145 HB3 ASP 23 1HB ASP 23 7.441 -2.990 0.326 146 H SER 24 H SER 24 7.676 -4.511 -3.099 147 HA SER 24 HA SER 24 5.968 -6.685 -2.242 148 HB2 SER 24 2HB SER 24 8.239 -6.616 -4.241 149 HB3 SER 24 1HB SER 24 7.163 -7.987 -3.974 150 HG SER 24 HG SER 24 6.677 -6.375 -5.737 151 H TYR 25 H TYR 25 8.834 -5.386 -1.089 152 HA TYR 25 HA TYR 25 10.245 -7.770 -0.371 153 HB2 TYR 25 2HB TYR 25 11.076 -5.283 -0.565 154 HB3 TYR 25 1HB TYR 25 10.575 -5.189 1.118 155 HD1 TYR 25 1HD TYR 25 11.764 -6.434 2.842 156 HD2 TYR 25 2HD TYR 25 12.986 -6.628 -1.228 157 HE1 TYR 25 1HE TYR 25 13.907 -7.418 3.540 158 HE2 TYR 25 2HE TYR 25 15.132 -7.613 -0.542 159 HH TYR 25 HH TYR 25 15.692 -8.809 2.582 160 H THR 26 H THR 26 7.647 -5.964 1.013 161 HA THR 26 HA THR 26 7.468 -7.862 3.239 162 HB THR 26 HB THR 26 6.736 -5.952 4.740 163 HG1 THR 26 1HG THR 26 8.248 -4.187 3.207 164 HG21 THR 26 3HG2 THR 26 8.919 -7.022 5.004 165 HG22 THR 26 1HG2 THR 26 9.027 -5.291 5.325 166 HG23 THR 26 2HG2 THR 26 9.606 -5.941 3.790 167 H LYS 27 H LYS 27 6.045 -6.578 0.599 168 HA LYS 27 HA LYS 27 3.960 -6.430 -0.275 169 HB2 LYS 27 2HB LYS 27 3.420 -8.413 1.937 170 HB3 LYS 27 1HB LYS 27 2.186 -7.940 0.779 171 HG2 LYS 27 2HG LYS 27 3.595 -8.757 -1.050 172 HG3 LYS 27 1HG LYS 27 4.820 -9.246 0.122 173 HD2 LYS 27 2HD LYS 27 3.221 -10.784 1.155 174 HD3 LYS 27 1HD LYS 27 1.991 -10.291 -0.012 175 HE2 LYS 27 2HE LYS 27 3.396 -11.125 -1.837 176 HE3 LYS 27 1HE LYS 27 4.618 -11.623 -0.667 177 HZ1 LYS 27 3HZ LYS 27 3.227 -13.478 -1.346 178 HZ2 LYS 27 1HZ LYS 27 1.841 -12.668 -0.811 179 HZ3 LYS 27 2HZ LYS 27 3.019 -13.152 0.301 180 H THR 28 H THR 28 4.592 -4.264 1.151 181 HA THR 28 HA THR 28 2.053 -3.506 2.452 182 HB THR 28 HB THR 28 3.436 -1.918 3.883 183 HG1 THR 28 1HG THR 28 5.650 -2.942 4.193 184 HG21 THR 28 3HG2 THR 28 2.398 -3.927 4.809 185 HG22 THR 28 1HG2 THR 28 3.974 -3.641 5.549 186 HG23 THR 28 2HG2 THR 28 3.791 -4.888 4.315 187 H CYS 29 H CYS 29 1.625 -1.179 2.456 188 HA CYS 29 HA CYS 29 2.252 -0.013 -0.125 189 HB2 CYS 29 2HB CYS 29 0.098 0.158 1.777 190 HB3 CYS 29 1HB CYS 29 0.680 1.773 1.392 191 H LYS 30 H LYS 30 3.747 1.479 -0.479 192 HA LYS 30 HA LYS 30 4.681 3.163 1.747 193 HB2 LYS 30 2HB LYS 30 6.398 1.602 -0.185 194 HB3 LYS 30 1HB LYS 30 7.018 2.932 0.782 195 HG2 LYS 30 2HG LYS 30 6.158 1.606 2.801 196 HG3 LYS 30 1HG LYS 30 6.036 0.249 1.680 197 HD2 LYS 30 2HD LYS 30 8.411 0.478 1.142 198 HD3 LYS 30 1HD LYS 30 8.535 1.840 2.257 199 HE2 LYS 30 2HE LYS 30 7.904 0.374 4.113 200 HE3 LYS 30 1HE LYS 30 7.780 -0.985 2.997 201 HZ1 LYS 30 3HZ LYS 30 9.892 -0.990 4.164 202 HZ2 LYS 30 1HZ LYS 30 10.252 0.555 3.576 203 HZ3 LYS 30 2HZ LYS 30 10.135 -0.751 2.507 204 H ASP 31 H ASP 31 5.807 5.123 1.052 205 HA ASP 31 HA ASP 31 4.562 6.269 -1.315 206 HB2 ASP 31 2HB ASP 31 6.180 7.469 0.937 207 HB3 ASP 31 1HB ASP 31 5.635 8.402 -0.453 208 H LYS 32 H LYS 32 5.641 7.108 -3.072 209 HA LYS 32 HA LYS 32 8.326 6.049 -3.523 210 HB2 LYS 32 2HB LYS 32 6.206 5.946 -5.123 211 HB3 LYS 32 1HB LYS 32 6.811 7.512 -5.639 212 HG2 LYS 32 2HG LYS 32 8.960 6.501 -6.210 213 HG3 LYS 32 1HG LYS 32 8.360 4.927 -5.683 214 HD2 LYS 32 2HD LYS 32 6.616 5.022 -7.401 215 HD3 LYS 32 1HD LYS 32 7.222 6.594 -7.928 216 HE2 LYS 32 2HE LYS 32 9.370 5.569 -8.503 217 HE3 LYS 32 1HE LYS 32 8.760 4.000 -7.979 218 HZ1 LYS 32 3HZ LYS 32 7.660 5.624 -10.210 219 HZ2 LYS 32 1HZ LYS 32 7.076 4.117 -9.708 220 HZ3 LYS 32 2HZ LYS 32 8.625 4.245 -10.376 221 H SER 33 H SER 33 6.586 9.146 -3.585 222 HA SER 33 HA SER 33 9.115 10.587 -3.939 223 HB2 SER 33 2HB SER 33 7.625 12.582 -4.280 224 HB3 SER 33 1HB SER 33 7.389 11.295 -5.462 225 HG SER 33 HG SER 33 5.610 12.374 -3.775 226 H SER 34 H SER 34 9.897 12.038 -2.467 227 HA SER 34 HA SER 34 8.482 12.251 0.107 228 HB2 SER 34 2HB SER 34 11.457 11.841 -0.288 229 HB3 SER 34 1HB SER 34 10.665 12.128 1.262 230 HG SER 34 HG SER 34 11.076 9.873 0.717 231 H ALA 35 H ALA 35 10.908 13.675 -2.056 232 HA ALA 35 HA ALA 35 11.594 15.788 -2.489 233 HB1 ALA 35 1HB ALA 35 10.017 17.620 -2.299 234 HB2 ALA 35 2HB ALA 35 8.988 16.659 -1.238 235 HB3 ALA 35 3HB ALA 35 9.206 16.183 -2.923 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -10.494 2.163 -5.405 2 H2 GLY 1 2HT GLY 1 -11.109 3.605 -6.039 3 H3 GLY 1 3HT GLY 1 -11.672 2.119 -6.618 4 HA2 GLY 1 1HA GLY 1 -13.296 3.106 -5.140 5 HA3 GLY 1 2HA GLY 1 -12.657 1.608 -4.481 6 H TRP 2 H TRP 2 -11.388 1.641 -2.648 7 HA TRP 2 HA TRP 2 -11.543 4.107 -1.080 8 HB2 TRP 2 2HB TRP 2 -11.015 1.236 -0.304 9 HB3 TRP 2 1HB TRP 2 -10.889 2.577 0.830 10 HD1 TRP 2 HD TRP 2 -13.136 3.652 1.718 11 HE1 TRP 2 1HE TRP 2 -15.594 2.904 1.622 12 HE3 TRP 2 3HE TRP 2 -12.745 -0.009 -1.844 13 HZ2 TRP 2 2HZ TRP 2 -17.162 1.020 0.230 14 HZ3 TRP 2 3HZ TRP 2 -14.777 -1.234 -2.497 15 HH2 TRP 2 HH TRP 2 -16.938 -0.730 -1.479 16 H CYS 3 H CYS 3 -9.768 4.994 -0.006 17 HA CYS 3 HA CYS 3 -7.182 4.406 -1.260 18 HB2 CYS 3 2HB CYS 3 -8.329 6.764 -1.156 19 HB3 CYS 3 1HB CYS 3 -7.678 6.797 0.477 20 H GLY 4 H GLY 4 -5.580 3.488 -0.158 21 HA2 GLY 4 2HA GLY 4 -5.962 2.935 2.697 22 HA3 GLY 4 1HA GLY 4 -4.855 2.101 1.622 23 H ASP 5 H ASP 5 -4.589 3.522 4.280 24 HA ASP 5 HA ASP 5 -2.836 5.756 3.785 25 HB2 ASP 5 2HB ASP 5 -3.664 4.268 6.278 26 HB3 ASP 5 1HB ASP 5 -2.489 5.578 6.312 27 HA HYP 6 HA HYP 6 1.154 3.737 3.554 28 HB2 HYP 6 2HB HYP 6 2.176 5.389 5.805 29 HB3 HYP 6 1HB HYP 6 2.775 5.257 4.140 30 HG HYP 6 2HG HYP 6 1.503 7.449 4.943 31 HD22 HYP 6 1HD HYP 6 -0.916 6.820 3.903 32 HD23 HYP 6 2HD HYP 6 -0.561 6.632 5.632 33 HD1 HYP 6 1HG HYP 6 0.845 7.696 2.763 34 H GLY 7 H GLY 7 1.688 1.802 4.259 35 HA2 GLY 7 2HA GLY 7 2.644 0.437 6.045 36 HA3 GLY 7 1HA GLY 7 1.515 1.208 7.149 37 H ALA 8 H ALA 8 0.135 0.520 4.131 38 HA ALA 8 HA ALA 8 -1.488 -1.609 5.266 39 HB1 ALA 8 1HB ALA 8 -1.711 -0.229 2.590 40 HB2 ALA 8 2HB ALA 8 -2.562 0.250 4.060 41 HB3 ALA 8 3HB ALA 8 -2.902 -1.311 3.312 42 H THR 9 H THR 9 -1.836 -3.632 4.210 43 HA THR 9 HA THR 9 0.586 -4.763 3.108 44 HB THR 9 HB THR 9 -1.925 -6.373 3.259 45 HG1 THR 9 1HG THR 9 -2.099 -5.361 5.217 46 HG21 THR 9 3HG2 THR 9 0.938 -6.907 4.075 47 HG22 THR 9 1HG2 THR 9 0.177 -7.424 2.570 48 HG23 THR 9 2HG2 THR 9 -0.378 -8.081 4.110 49 H CYS 10 H CYS 10 1.014 -5.255 1.058 50 HA CYS 10 HA CYS 10 -1.079 -4.812 -0.968 51 HB2 CYS 10 2HB CYS 10 1.935 -4.684 -1.211 52 HB3 CYS 10 1HB CYS 10 0.817 -4.491 -2.556 53 H GLY 11 H GLY 11 -1.281 -6.259 -2.720 54 HA2 GLY 11 2HA GLY 11 0.059 -8.395 -3.555 55 HA3 GLY 11 1HA GLY 11 -0.580 -9.008 -2.038 56 H LYS 12 H LYS 12 -3.067 -8.252 -1.849 57 HA LYS 12 HA LYS 12 -4.374 -9.493 -4.157 58 HB2 LYS 12 2HB LYS 12 -5.270 -8.994 -1.317 59 HB3 LYS 12 1HB LYS 12 -6.373 -9.549 -2.567 60 HG2 LYS 12 2HG LYS 12 -3.857 -11.074 -2.075 61 HG3 LYS 12 1HG LYS 12 -5.209 -11.250 -0.955 62 HD2 LYS 12 2HD LYS 12 -6.667 -11.886 -2.824 63 HD3 LYS 12 1HD LYS 12 -5.310 -11.714 -3.938 64 HE2 LYS 12 2HE LYS 12 -4.108 -13.481 -2.745 65 HE3 LYS 12 1HE LYS 12 -5.464 -13.650 -1.629 66 HZ1 LYS 12 3HZ LYS 12 -5.563 -14.144 -4.557 67 HZ2 LYS 12 1HZ LYS 12 -6.863 -14.308 -3.486 68 HZ3 LYS 12 2HZ LYS 12 -5.526 -15.334 -3.356 69 H LEU 13 H LEU 13 -6.293 -8.605 -5.078 70 HA LEU 13 HA LEU 13 -6.265 -5.688 -5.125 71 HB2 LEU 13 2HB LEU 13 -6.250 -7.267 -7.194 72 HB3 LEU 13 1HB LEU 13 -7.968 -7.424 -6.892 73 HG LEU 13 HG LEU 13 -6.855 -4.668 -7.122 74 HD11 LEU 13 1HD1 LEU 13 -5.775 -5.814 -8.969 75 HD12 LEU 13 2HD1 LEU 13 -7.048 -4.749 -9.563 76 HD13 LEU 13 3HD1 LEU 13 -7.322 -6.490 -9.477 77 HD21 LEU 13 3HD2 LEU 13 -9.402 -5.982 -8.073 78 HD22 LEU 13 1HD2 LEU 13 -9.019 -4.264 -8.189 79 HD23 LEU 13 2HD2 LEU 13 -9.218 -5.017 -6.608 80 H ARG 14 H ARG 14 -7.315 -5.039 -3.314 81 HA ARG 14 HA ARG 14 -10.212 -5.434 -3.255 82 HB2 ARG 14 2HB ARG 14 -8.357 -5.997 -0.940 83 HB3 ARG 14 1HB ARG 14 -10.062 -5.638 -0.709 84 HG2 ARG 14 2HG ARG 14 -10.659 -7.579 -2.070 85 HG3 ARG 14 1HG ARG 14 -8.946 -7.939 -2.301 86 HD2 ARG 14 2HD ARG 14 -8.684 -8.232 0.114 87 HD3 ARG 14 1HD ARG 14 -10.394 -7.867 0.345 88 HE ARG 14 HE ARG 14 -10.183 -9.997 -1.458 89 HH11 ARG 14 1HH1 ARG 14 -9.587 -9.377 1.947 90 HH12 ARG 14 2HH1 ARG 14 -9.874 -11.020 2.414 91 HH21 ARG 14 1HH2 ARG 14 -10.553 -12.141 -0.824 92 HH22 ARG 14 2HH2 ARG 14 -10.420 -12.583 0.846 93 H LEU 15 H LEU 15 -7.396 -3.721 -1.964 94 HA LEU 15 HA LEU 15 -9.030 -1.276 -1.764 95 HB2 LEU 15 2HB LEU 15 -8.078 -2.515 0.404 96 HB3 LEU 15 1HB LEU 15 -6.639 -1.611 -0.019 97 HG LEU 15 HG LEU 15 -9.283 -0.212 0.295 98 HD11 LEU 15 1HD1 LEU 15 -8.905 -1.530 2.334 99 HD12 LEU 15 2HD1 LEU 15 -8.759 0.203 2.625 100 HD13 LEU 15 3HD1 LEU 15 -7.310 -0.793 2.498 101 HD21 LEU 15 3HD2 LEU 15 -6.416 0.667 0.643 102 HD22 LEU 15 1HD2 LEU 15 -7.836 1.682 0.892 103 HD23 LEU 15 2HD2 LEU 15 -7.469 1.058 -0.717 104 H TYR 16 H TYR 16 -8.091 0.626 -2.459 105 HA TYR 16 HA TYR 16 -5.724 0.327 -4.151 106 HB2 TYR 16 2HB TYR 16 -7.996 1.418 -4.855 107 HB3 TYR 16 1HB TYR 16 -7.388 2.824 -3.989 108 HD1 TYR 16 1HD TYR 16 -5.489 4.087 -4.846 109 HD2 TYR 16 2HD TYR 16 -6.977 0.695 -6.938 110 HE1 TYR 16 1HE TYR 16 -4.218 4.765 -6.839 111 HE2 TYR 16 2HE TYR 16 -5.709 1.363 -8.936 112 HH TYR 16 HH TYR 16 -3.287 3.736 -8.869 113 H CYS 17 H CYS 17 -3.812 1.276 -3.730 114 HA CYS 17 HA CYS 17 -3.371 2.438 -1.134 115 HB2 CYS 17 2HB CYS 17 -1.743 1.282 -3.257 116 HB3 CYS 17 1HB CYS 17 -0.999 2.703 -2.532 117 H CYS 18 H CYS 18 -2.872 4.487 -0.595 118 HA CYS 18 HA CYS 18 -3.712 6.611 -2.293 119 HB2 CYS 18 2HB CYS 18 -2.339 6.588 0.394 120 HB3 CYS 18 1HB CYS 18 -2.858 8.063 -0.412 121 H SER 19 H SER 19 -0.584 5.222 -1.552 122 HA SER 19 HA SER 19 0.865 7.434 -2.782 123 HB2 SER 19 2HB SER 19 1.698 6.305 -0.697 124 HB3 SER 19 1HB SER 19 1.983 4.857 -1.660 125 HG SER 19 HG SER 19 3.480 7.108 -1.446 126 H GLY 20 H GLY 20 -0.166 4.175 -3.526 127 HA2 GLY 20 2HA GLY 20 -0.394 3.286 -5.684 128 HA3 GLY 20 1HA GLY 20 0.661 4.547 -6.296 129 H PHE 21 H PHE 21 2.709 3.924 -4.197 130 HA PHE 21 HA PHE 21 4.002 1.760 -5.651 131 HB2 PHE 21 2HB PHE 21 5.386 3.673 -5.378 132 HB3 PHE 21 1HB PHE 21 4.996 3.813 -3.673 133 HD1 PHE 21 2HD PHE 21 6.442 1.151 -5.905 134 HD2 PHE 21 1HD PHE 21 6.753 3.367 -2.279 135 HE1 PHE 21 2HE PHE 21 8.484 -0.093 -5.318 136 HE2 PHE 21 1HE PHE 21 8.795 2.127 -1.699 137 HZ PHE 21 HZ PHE 21 9.659 0.401 -3.211 138 H CYS 22 H CYS 22 3.969 -0.242 -5.005 139 HA CYS 22 HA CYS 22 3.534 -0.859 -2.164 140 HB2 CYS 22 2HB CYS 22 2.596 -2.193 -4.671 141 HB3 CYS 22 1HB CYS 22 2.845 -3.167 -3.226 142 H ASP 23 H ASP 23 5.176 -1.720 -1.116 143 HA ASP 23 HA ASP 23 7.491 -2.704 -2.578 144 HB2 ASP 23 2HB ASP 23 7.105 -1.341 -0.123 145 HB3 ASP 23 1HB ASP 23 7.811 -2.907 0.268 146 H SER 24 H SER 24 7.798 -4.760 -2.997 147 HA SER 24 HA SER 24 6.142 -6.809 -1.792 148 HB2 SER 24 2HB SER 24 7.267 -8.302 -3.466 149 HB3 SER 24 1HB SER 24 6.436 -6.919 -4.177 150 HG SER 24 HG SER 24 8.352 -5.967 -4.600 151 H TYR 25 H TYR 25 9.139 -5.460 -1.075 152 HA TYR 25 HA TYR 25 10.513 -7.812 -0.161 153 HB2 TYR 25 2HB TYR 25 11.450 -5.452 -0.861 154 HB3 TYR 25 1HB TYR 25 11.175 -5.064 0.833 155 HD1 TYR 25 2HD TYR 25 12.509 -6.104 2.581 156 HD2 TYR 25 1HD TYR 25 13.169 -7.042 -1.515 157 HE1 TYR 25 2HE TYR 25 14.663 -7.134 3.171 158 HE2 TYR 25 1HE TYR 25 15.325 -8.075 -0.938 159 HH TYR 25 HH TYR 25 16.219 -8.803 2.251 160 H THR 26 H THR 26 8.107 -5.746 1.126 161 HA THR 26 HA THR 26 8.243 -7.126 3.714 162 HB THR 26 HB THR 26 7.504 -4.961 4.812 163 HG1 THR 26 1HG THR 26 7.908 -3.055 3.685 164 HG21 THR 26 3HG2 THR 26 9.783 -4.061 4.987 165 HG22 THR 26 1HG2 THR 26 10.267 -5.026 3.591 166 HG23 THR 26 2HG2 THR 26 9.774 -5.822 5.087 167 H LYS 27 H LYS 27 6.492 -6.501 1.013 168 HA LYS 27 HA LYS 27 4.330 -6.672 0.350 169 HB2 LYS 27 2HB LYS 27 4.157 -8.185 2.958 170 HB3 LYS 27 1HB LYS 27 2.792 -8.043 1.861 171 HG2 LYS 27 2HG LYS 27 4.091 -9.136 0.102 172 HG3 LYS 27 1HG LYS 27 5.462 -9.275 1.203 173 HD2 LYS 27 2HD LYS 27 4.116 -10.667 2.702 174 HD3 LYS 27 1HD LYS 27 2.743 -10.525 1.600 175 HE2 LYS 27 2HE LYS 27 4.040 -11.632 -0.155 176 HE3 LYS 27 1HE LYS 27 5.412 -11.769 0.943 177 HZ1 LYS 27 3HZ LYS 27 2.752 -13.032 1.333 178 HZ2 LYS 27 1HZ LYS 27 4.068 -13.164 2.389 179 HZ3 LYS 27 2HZ LYS 27 4.159 -13.828 0.836 180 H THR 28 H THR 28 5.014 -4.233 1.477 181 HA THR 28 HA THR 28 2.410 -3.326 2.492 182 HB THR 28 HB THR 28 3.647 -1.716 4.032 183 HG1 THR 28 1HG THR 28 5.745 -1.970 4.316 184 HG21 THR 28 3HG2 THR 28 3.844 -3.358 5.847 185 HG22 THR 28 1HG2 THR 28 3.782 -4.667 4.667 186 HG23 THR 28 2HG2 THR 28 2.381 -3.619 4.895 187 H CYS 29 H CYS 29 2.090 -0.981 2.280 188 HA CYS 29 HA CYS 29 3.183 -0.036 -0.228 189 HB2 CYS 29 2HB CYS 29 0.741 0.317 1.157 190 HB3 CYS 29 1HB CYS 29 1.478 1.907 0.992 191 H LYS 30 H LYS 30 4.561 1.580 -0.553 192 HA LYS 30 HA LYS 30 5.447 3.195 1.745 193 HB2 LYS 30 2HB LYS 30 7.200 1.713 -0.219 194 HB3 LYS 30 1HB LYS 30 7.801 2.990 0.827 195 HG2 LYS 30 2HG LYS 30 6.926 1.581 2.764 196 HG3 LYS 30 1HG LYS 30 6.769 0.279 1.581 197 HD2 LYS 30 2HD LYS 30 9.147 0.465 1.052 198 HD3 LYS 30 1HD LYS 30 9.309 1.775 2.224 199 HE2 LYS 30 2HE LYS 30 8.640 0.250 4.017 200 HE3 LYS 30 1HE LYS 30 8.478 -1.058 2.845 201 HZ1 LYS 30 3HZ LYS 30 10.839 -0.864 2.360 202 HZ2 LYS 30 1HZ LYS 30 10.590 -1.170 4.006 203 HZ3 LYS 30 2HZ LYS 30 10.992 0.389 3.486 204 H ASP 31 H ASP 31 6.697 5.142 1.073 205 HA ASP 31 HA ASP 31 5.423 6.404 -1.219 206 HB2 ASP 31 2HB ASP 31 7.158 7.475 1.010 207 HB3 ASP 31 1HB ASP 31 6.609 8.468 -0.336 208 H LYS 32 H LYS 32 6.363 6.746 -3.123 209 HA LYS 32 HA LYS 32 9.144 5.929 -3.497 210 HB2 LYS 32 2HB LYS 32 7.014 5.291 -4.951 211 HB3 LYS 32 1HB LYS 32 7.407 6.797 -5.767 212 HG2 LYS 32 2HG LYS 32 9.651 5.954 -6.249 213 HG3 LYS 32 1HG LYS 32 9.256 4.443 -5.428 214 HD2 LYS 32 2HD LYS 32 7.472 4.028 -7.055 215 HD3 LYS 32 1HD LYS 32 7.867 5.540 -7.873 216 HE2 LYS 32 2HE LYS 32 8.913 3.838 -9.127 217 HE3 LYS 32 1HE LYS 32 10.197 4.603 -8.192 218 HZ1 LYS 32 3HZ LYS 32 8.831 2.057 -7.497 219 HZ2 LYS 32 1HZ LYS 32 10.064 2.790 -6.598 220 HZ3 LYS 32 2HZ LYS 32 10.386 2.197 -8.149 221 H SER 33 H SER 33 10.743 7.247 -4.278 222 HA SER 33 HA SER 33 10.111 10.102 -4.629 223 HB2 SER 33 2HB SER 33 12.496 8.944 -3.163 224 HB3 SER 33 1HB SER 33 12.235 10.658 -3.492 225 HG SER 33 HG SER 33 11.262 9.157 -1.492 226 H SER 34 H SER 34 10.988 11.072 -6.355 227 HA SER 34 HA SER 34 13.074 9.646 -7.869 228 HB2 SER 34 2HB SER 34 10.663 11.075 -9.017 229 HB3 SER 34 1HB SER 34 11.976 10.371 -9.961 230 HG SER 34 HG SER 34 10.608 8.769 -8.111 231 H ALA 35 H ALA 35 14.650 10.876 -8.806 232 HA ALA 35 HA ALA 35 14.539 13.785 -8.352 233 HB1 ALA 35 1HB ALA 35 16.914 13.771 -7.804 234 HB2 ALA 35 2HB ALA 35 16.963 12.020 -8.009 235 HB3 ALA 35 3HB ALA 35 16.012 12.728 -6.704 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -15.341 4.770 -4.645 2 H2 GLY 1 2HT GLY 1 -15.669 3.366 -3.761 3 H3 GLY 1 3HT GLY 1 -15.696 3.325 -5.452 4 HA2 GLY 1 1HA GLY 1 -13.673 2.313 -4.630 5 HA3 GLY 1 2HA GLY 1 -13.331 3.774 -5.544 6 H TRP 2 H TRP 2 -12.981 2.152 -2.583 7 HA TRP 2 HA TRP 2 -12.147 4.553 -1.131 8 HB2 TRP 2 2HB TRP 2 -12.541 1.691 -0.233 9 HB3 TRP 2 1HB TRP 2 -11.923 2.965 0.812 10 HD1 TRP 2 HD TRP 2 -15.133 1.689 -0.780 11 HE1 TRP 2 1HE TRP 2 -17.138 2.925 0.254 12 HE3 TRP 2 3HE TRP 2 -12.613 5.249 1.908 13 HZ2 TRP 2 2HZ TRP 2 -17.596 5.110 1.974 14 HZ3 TRP 2 3HZ TRP 2 -13.916 6.872 3.219 15 HH2 TRP 2 HH TRP 2 -16.356 6.803 3.250 16 H CYS 3 H CYS 3 -10.100 4.663 -0.073 17 HA CYS 3 HA CYS 3 -8.004 2.973 -1.267 18 HB2 CYS 3 2HB CYS 3 -7.961 5.189 -2.311 19 HB3 CYS 3 1HB CYS 3 -7.863 5.949 -0.727 20 H GLY 4 H GLY 4 -6.080 2.705 0.007 21 HA2 GLY 4 2HA GLY 4 -6.668 2.621 2.869 22 HA3 GLY 4 1HA GLY 4 -5.367 1.777 2.051 23 H ASP 5 H ASP 5 -4.791 2.980 4.367 24 HA ASP 5 HA ASP 5 -3.661 5.619 3.845 25 HB2 ASP 5 2HB ASP 5 -3.972 3.942 6.335 26 HB3 ASP 5 1HB ASP 5 -3.021 5.422 6.321 27 HA HYP 6 HA HYP 6 0.586 4.393 3.120 28 HB2 HYP 6 2HB HYP 6 1.485 6.032 5.438 29 HB3 HYP 6 1HB HYP 6 1.991 6.108 3.738 30 HG HYP 6 2HG HYP 6 0.427 7.998 4.751 31 HD22 HYP 6 1HD HYP 6 -1.923 7.010 3.824 32 HD23 HYP 6 2HD HYP 6 -1.419 6.817 5.515 33 HD1 HYP 6 1HG HYP 6 0.342 6.701 2.231 34 H GLY 7 H GLY 7 1.567 2.554 3.605 35 HA2 GLY 7 2HA GLY 7 2.813 1.117 5.047 36 HA3 GLY 7 1HA GLY 7 1.926 1.770 6.416 37 H ALA 8 H ALA 8 -0.043 1.101 3.743 38 HA ALA 8 HA ALA 8 -1.328 -1.105 5.114 39 HB1 ALA 8 1HB ALA 8 -2.674 0.698 4.146 40 HB2 ALA 8 2HB ALA 8 -3.073 -0.862 3.429 41 HB3 ALA 8 3HB ALA 8 -2.071 0.285 2.540 42 H THR 9 H THR 9 -1.825 -3.120 4.136 43 HA THR 9 HA THR 9 0.350 -4.269 2.648 44 HB THR 9 HB THR 9 -2.212 -5.750 3.163 45 HG1 THR 9 1HG THR 9 -2.030 -5.384 5.232 46 HG21 THR 9 3HG2 THR 9 -0.672 -7.610 3.613 47 HG22 THR 9 1HG2 THR 9 0.702 -6.534 3.363 48 HG23 THR 9 2HG2 THR 9 -0.378 -6.911 2.022 49 H CYS 10 H CYS 10 0.509 -4.498 0.516 50 HA CYS 10 HA CYS 10 -1.788 -3.843 -1.180 51 HB2 CYS 10 2HB CYS 10 1.127 -4.163 -1.927 52 HB3 CYS 10 1HB CYS 10 -0.152 -3.561 -2.975 53 H GLY 11 H GLY 11 -2.364 -5.120 -2.994 54 HA2 GLY 11 2HA GLY 11 -1.256 -7.576 -3.727 55 HA3 GLY 11 1HA GLY 11 -2.475 -7.903 -2.507 56 H LYS 12 H LYS 12 -3.735 -9.055 -4.002 57 HA LYS 12 HA LYS 12 -4.912 -7.511 -6.206 58 HB2 LYS 12 2HB LYS 12 -4.754 -10.466 -5.645 59 HB3 LYS 12 1HB LYS 12 -5.852 -9.813 -6.852 60 HG2 LYS 12 2HG LYS 12 -3.946 -8.836 -8.045 61 HG3 LYS 12 1HG LYS 12 -2.853 -9.522 -6.840 62 HD2 LYS 12 2HD LYS 12 -3.591 -11.773 -7.446 63 HD3 LYS 12 1HD LYS 12 -4.702 -11.093 -8.636 64 HE2 LYS 12 2HE LYS 12 -2.806 -11.783 -9.854 65 HE3 LYS 12 1HE LYS 12 -2.679 -10.031 -9.722 66 HZ1 LYS 12 3HZ LYS 12 -1.238 -12.001 -8.027 67 HZ2 LYS 12 1HZ LYS 12 -1.114 -10.318 -7.902 68 HZ3 LYS 12 2HZ LYS 12 -0.560 -11.106 -9.292 69 H LEU 13 H LEU 13 -5.835 -9.522 -3.423 70 HA LEU 13 HA LEU 13 -8.632 -8.717 -3.693 71 HB2 LEU 13 2HB LEU 13 -7.246 -10.687 -1.875 72 HB3 LEU 13 1HB LEU 13 -8.950 -10.301 -1.748 73 HG LEU 13 HG LEU 13 -8.943 -11.008 -4.307 74 HD11 LEU 13 1HD1 LEU 13 -6.538 -11.378 -4.445 75 HD12 LEU 13 2HD1 LEU 13 -7.422 -12.882 -4.702 76 HD13 LEU 13 3HD1 LEU 13 -6.638 -12.574 -3.153 77 HD21 LEU 13 3HD2 LEU 13 -9.578 -13.269 -3.599 78 HD22 LEU 13 1HD2 LEU 13 -10.300 -12.029 -2.573 79 HD23 LEU 13 2HD2 LEU 13 -8.909 -12.948 -1.998 80 H ARG 14 H ARG 14 -5.977 -7.363 -2.391 81 HA ARG 14 HA ARG 14 -7.159 -6.446 0.114 82 HB2 ARG 14 2HB ARG 14 -4.428 -6.174 -1.130 83 HB3 ARG 14 1HB ARG 14 -4.890 -5.245 0.290 84 HG2 ARG 14 2HG ARG 14 -5.096 -7.164 1.620 85 HG3 ARG 14 1HG ARG 14 -5.124 -8.235 0.218 86 HD2 ARG 14 2HD ARG 14 -2.796 -7.713 -0.249 87 HD3 ARG 14 1HD ARG 14 -2.759 -6.587 1.106 88 HE ARG 14 HE ARG 14 -3.410 -8.762 2.403 89 HH11 ARG 14 1HH1 ARG 14 -1.087 -8.513 -0.220 90 HH12 ARG 14 2HH1 ARG 14 -0.131 -9.840 0.348 91 HH21 ARG 14 1HH2 ARG 14 -2.140 -10.496 3.128 92 HH22 ARG 14 2HH2 ARG 14 -0.727 -10.961 2.241 93 H LEU 15 H LEU 15 -6.711 -4.002 0.590 94 HA LEU 15 HA LEU 15 -8.288 -2.473 -1.234 95 HB2 LEU 15 2HB LEU 15 -7.617 -2.319 1.451 96 HB3 LEU 15 1HB LEU 15 -6.804 -0.933 0.754 97 HG LEU 15 HG LEU 15 -9.724 -1.415 0.222 98 HD11 LEU 15 1HD1 LEU 15 -10.250 0.008 2.140 99 HD12 LEU 15 2HD1 LEU 15 -8.547 0.010 2.603 100 HD13 LEU 15 3HD1 LEU 15 -9.469 -1.494 2.638 101 HD21 LEU 15 3HD2 LEU 15 -7.933 1.011 0.228 102 HD22 LEU 15 1HD2 LEU 15 -9.690 1.095 0.112 103 HD23 LEU 15 2HD2 LEU 15 -8.763 0.283 -1.147 104 H TYR 16 H TYR 16 -7.674 -0.414 -2.191 105 HA TYR 16 HA TYR 16 -5.216 -0.582 -3.653 106 HB2 TYR 16 2HB TYR 16 -7.423 1.477 -3.586 107 HB3 TYR 16 1HB TYR 16 -6.007 1.627 -4.621 108 HD1 TYR 16 2HD TYR 16 -5.708 0.166 -6.543 109 HD2 TYR 16 1HD TYR 16 -9.133 -0.187 -4.043 110 HE1 TYR 16 2HE TYR 16 -6.814 -1.203 -8.261 111 HE2 TYR 16 1HE TYR 16 -10.248 -1.557 -5.753 112 HH TYR 16 HH TYR 16 -10.127 -1.933 -8.178 113 H CYS 17 H CYS 17 -3.567 1.005 -3.767 114 HA CYS 17 HA CYS 17 -2.981 2.232 -1.176 115 HB2 CYS 17 2HB CYS 17 -1.416 0.928 -3.226 116 HB3 CYS 17 1HB CYS 17 -0.753 2.514 -2.847 117 H CYS 18 H CYS 18 -2.644 4.358 -0.873 118 HA CYS 18 HA CYS 18 -3.550 6.187 -2.935 119 HB2 CYS 18 2HB CYS 18 -2.986 6.396 -0.005 120 HB3 CYS 18 1HB CYS 18 -3.056 7.863 -0.973 121 H SER 19 H SER 19 -0.540 5.079 -1.690 122 HA SER 19 HA SER 19 0.973 7.429 -2.474 123 HB2 SER 19 2HB SER 19 1.908 4.735 -1.460 124 HB3 SER 19 1HB SER 19 2.932 6.152 -1.695 125 HG SER 19 HG SER 19 0.721 6.664 -0.174 126 H GLY 20 H GLY 20 0.176 4.290 -3.790 127 HA2 GLY 20 2HA GLY 20 0.260 3.778 -6.092 128 HA3 GLY 20 1HA GLY 20 1.452 5.048 -6.310 129 H PHE 21 H PHE 21 3.266 4.235 -4.262 130 HA PHE 21 HA PHE 21 4.501 1.983 -5.638 131 HB2 PHE 21 2HB PHE 21 5.963 3.850 -5.373 132 HB3 PHE 21 1HB PHE 21 5.560 4.019 -3.672 133 HD1 PHE 21 1HD PHE 21 6.996 1.404 -5.957 134 HD2 PHE 21 2HD PHE 21 7.160 3.353 -2.172 135 HE1 PHE 21 1HE PHE 21 8.951 0.041 -5.338 136 HE2 PHE 21 2HE PHE 21 9.117 1.997 -1.559 137 HZ PHE 21 HZ PHE 21 10.013 0.343 -3.138 138 H CYS 22 H CYS 22 4.222 0.020 -4.960 139 HA CYS 22 HA CYS 22 3.843 -0.513 -2.091 140 HB2 CYS 22 2HB CYS 22 2.761 -1.938 -4.520 141 HB3 CYS 22 1HB CYS 22 2.785 -2.689 -2.930 142 H ASP 23 H ASP 23 5.499 -1.465 -1.133 143 HA ASP 23 HA ASP 23 7.658 -2.616 -2.671 144 HB2 ASP 23 2HB ASP 23 7.389 -1.421 -0.113 145 HB3 ASP 23 1HB ASP 23 7.973 -3.062 0.146 146 H SER 24 H SER 24 7.984 -4.689 -3.086 147 HA SER 24 HA SER 24 6.071 -6.672 -2.206 148 HB2 SER 24 2HB SER 24 8.438 -6.890 -4.076 149 HB3 SER 24 1HB SER 24 7.243 -8.158 -3.800 150 HG SER 24 HG SER 24 5.971 -5.889 -4.388 151 H TYR 25 H TYR 25 9.016 -5.557 -1.014 152 HA TYR 25 HA TYR 25 10.149 -8.007 -0.064 153 HB2 TYR 25 2HB TYR 25 11.237 -5.637 -0.406 154 HB3 TYR 25 1HB TYR 25 10.691 -5.364 1.244 155 HD1 TYR 25 1HD TYR 25 13.010 -7.232 -0.890 156 HD2 TYR 25 2HD TYR 25 11.695 -6.567 3.103 157 HE1 TYR 25 1HE TYR 25 15.019 -8.370 -0.044 158 HE2 TYR 25 2HE TYR 25 13.701 -7.703 3.959 159 HH TYR 25 HH TYR 25 16.378 -8.427 2.009 160 H THR 26 H THR 26 7.667 -5.896 1.038 161 HA THR 26 HA THR 26 7.251 -7.555 3.418 162 HB THR 26 HB THR 26 6.593 -5.465 4.694 163 HG1 THR 26 1HG THR 26 7.737 -4.322 2.386 164 HG21 THR 26 3HG2 THR 26 9.494 -5.736 3.894 165 HG22 THR 26 1HG2 THR 26 8.680 -6.649 5.165 166 HG23 THR 26 2HG2 THR 26 8.897 -4.907 5.331 167 H LYS 27 H LYS 27 6.052 -6.358 0.606 168 HA LYS 27 HA LYS 27 4.026 -6.118 -0.383 169 HB2 LYS 27 2HB LYS 27 3.259 -7.976 1.873 170 HB3 LYS 27 1HB LYS 27 2.122 -7.493 0.622 171 HG2 LYS 27 2HG LYS 27 3.574 -8.470 -1.082 172 HG3 LYS 27 1HG LYS 27 4.723 -8.945 0.171 173 HD2 LYS 27 2HD LYS 27 3.012 -10.363 1.199 174 HD3 LYS 27 1HD LYS 27 1.864 -9.887 -0.053 175 HE2 LYS 27 2HE LYS 27 3.321 -10.872 -1.757 176 HE3 LYS 27 1HE LYS 27 4.465 -11.349 -0.502 177 HZ1 LYS 27 3HZ LYS 27 2.760 -12.761 0.466 178 HZ2 LYS 27 1HZ LYS 27 3.040 -13.189 -1.148 179 HZ3 LYS 27 2HZ LYS 27 1.661 -12.303 -0.736 180 H THR 28 H THR 28 4.698 -3.924 1.004 181 HA THR 28 HA THR 28 2.102 -2.915 1.940 182 HB THR 28 HB THR 28 3.328 -1.604 3.754 183 HG1 THR 28 1HG THR 28 5.221 -3.591 3.984 184 HG21 THR 28 3HG2 THR 28 3.222 -3.452 5.367 185 HG22 THR 28 1HG2 THR 28 3.146 -4.606 4.036 186 HG23 THR 28 2HG2 THR 28 1.831 -3.457 4.284 187 H CYS 29 H CYS 29 2.035 -0.527 2.090 188 HA CYS 29 HA CYS 29 3.174 0.657 -0.263 189 HB2 CYS 29 2HB CYS 29 0.943 1.149 1.392 190 HB3 CYS 29 1HB CYS 29 1.935 2.602 1.441 191 H LYS 30 H LYS 30 4.842 1.992 -0.475 192 HA LYS 30 HA LYS 30 6.078 3.183 1.912 193 HB2 LYS 30 2HB LYS 30 7.412 1.435 -0.137 194 HB3 LYS 30 1HB LYS 30 8.331 2.633 0.762 195 HG2 LYS 30 2HG LYS 30 7.047 1.385 2.786 196 HG3 LYS 30 1HG LYS 30 7.216 0.058 1.637 197 HD2 LYS 30 2HD LYS 30 9.602 0.393 1.535 198 HD3 LYS 30 1HD LYS 30 9.479 1.827 2.557 199 HE2 LYS 30 2HE LYS 30 8.633 -0.925 3.438 200 HE3 LYS 30 1HE LYS 30 10.238 -0.263 3.716 201 HZ1 LYS 30 3HZ LYS 30 7.696 0.897 4.717 202 HZ2 LYS 30 1HZ LYS 30 9.238 1.544 4.975 203 HZ3 LYS 30 2HZ LYS 30 8.826 0.046 5.643 204 H ASP 31 H ASP 31 7.615 4.933 1.382 205 HA ASP 31 HA ASP 31 6.576 6.576 -0.784 206 HB2 ASP 31 2HB ASP 31 8.461 7.150 1.506 207 HB3 ASP 31 1HB ASP 31 8.094 8.330 0.252 208 H LYS 32 H LYS 32 7.750 7.359 -2.499 209 HA LYS 32 HA LYS 32 10.176 5.867 -3.163 210 HB2 LYS 32 2HB LYS 32 8.035 6.269 -4.676 211 HB3 LYS 32 1HB LYS 32 8.875 7.759 -5.077 212 HG2 LYS 32 2HG LYS 32 10.812 6.464 -5.826 213 HG3 LYS 32 1HG LYS 32 9.963 4.970 -5.428 214 HD2 LYS 32 2HD LYS 32 8.219 5.530 -7.054 215 HD3 LYS 32 1HD LYS 32 9.072 7.024 -7.453 216 HE2 LYS 32 2HE LYS 32 10.993 5.722 -8.222 217 HE3 LYS 32 1HE LYS 32 10.150 4.228 -7.812 218 HZ1 LYS 32 3HZ LYS 32 8.454 4.783 -9.442 219 HZ2 LYS 32 1HZ LYS 32 9.981 4.716 -10.167 220 HZ3 LYS 32 2HZ LYS 32 9.266 6.212 -9.836 221 H SER 33 H SER 33 9.022 9.209 -2.862 222 HA SER 33 HA SER 33 11.753 10.215 -3.223 223 HB2 SER 33 2HB SER 33 9.116 11.700 -3.095 224 HB3 SER 33 1HB SER 33 10.690 12.442 -3.383 225 HG SER 33 HG SER 33 10.642 10.640 -5.160 226 H SER 34 H SER 34 12.880 11.208 -1.636 227 HA SER 34 HA SER 34 11.755 11.086 1.071 228 HB2 SER 34 2HB SER 34 14.632 11.347 0.161 229 HB3 SER 34 1HB SER 34 14.099 11.217 1.838 230 HG SER 34 HG SER 34 14.651 9.180 1.178 231 H ALA 35 H ALA 35 11.799 12.828 2.465 232 HA ALA 35 HA ALA 35 12.478 15.443 1.288 233 HB1 ALA 35 1HB ALA 35 10.546 16.424 2.402 234 HB2 ALA 35 2HB ALA 35 10.102 14.844 3.049 235 HB3 ALA 35 3HB ALA 35 10.048 15.131 1.310 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -12.795 5.237 -4.693 2 H2 GLY 1 2HT GLY 1 -13.852 6.466 -4.206 3 H3 GLY 1 3HT GLY 1 -14.429 5.172 -5.130 4 HA2 GLY 1 1HA GLY 1 -15.081 4.905 -2.828 5 HA3 GLY 1 2HA GLY 1 -13.983 3.630 -3.334 6 H TRP 2 H TRP 2 -12.989 3.114 -1.474 7 HA TRP 2 HA TRP 2 -11.878 5.227 0.221 8 HB2 TRP 2 2HB TRP 2 -12.166 2.246 0.656 9 HB3 TRP 2 1HB TRP 2 -11.393 3.337 1.800 10 HD1 TRP 2 HD TRP 2 -14.839 2.468 0.360 11 HE1 TRP 2 1HE TRP 2 -16.649 3.388 1.939 12 HE3 TRP 2 3HE TRP 2 -11.860 5.121 3.574 13 HZ2 TRP 2 2HZ TRP 2 -16.800 5.017 4.235 14 HZ3 TRP 2 3HZ TRP 2 -12.923 6.330 5.434 15 HH2 TRP 2 HH TRP 2 -15.343 6.279 5.756 16 H CYS 3 H CYS 3 -9.708 5.422 0.689 17 HA CYS 3 HA CYS 3 -7.882 3.914 -1.064 18 HB2 CYS 3 2HB CYS 3 -8.064 6.386 -1.492 19 HB3 CYS 3 1HB CYS 3 -7.399 6.657 0.115 20 H GLY 4 H GLY 4 -5.931 3.160 -0.242 21 HA2 GLY 4 2HA GLY 4 -5.954 2.625 2.626 22 HA3 GLY 4 1HA GLY 4 -4.934 1.847 1.429 23 H ASP 5 H ASP 5 -4.544 3.339 4.089 24 HA ASP 5 HA ASP 5 -2.793 5.536 3.380 25 HB2 ASP 5 2HB ASP 5 -3.657 4.289 5.984 26 HB3 ASP 5 1HB ASP 5 -2.395 5.514 5.926 27 HA HYP 6 HA HYP 6 1.153 3.454 3.160 28 HB2 HYP 6 2HB HYP 6 2.651 4.992 4.975 29 HB3 HYP 6 1HB HYP 6 2.444 5.333 3.246 30 HG HYP 6 2HG HYP 6 1.051 6.534 5.587 31 HD22 HYP 6 1HD HYP 6 -0.316 6.441 2.911 32 HD23 HYP 6 2HD HYP 6 -1.024 6.607 4.531 33 HD1 HYP 6 1HG HYP 6 1.773 8.225 4.518 34 H GLY 7 H GLY 7 1.755 1.607 4.027 35 HA2 GLY 7 2HA GLY 7 2.761 0.421 5.910 36 HA3 GLY 7 1HA GLY 7 1.632 1.266 6.960 37 H ALA 8 H ALA 8 0.158 0.356 4.079 38 HA ALA 8 HA ALA 8 -1.293 -1.807 5.402 39 HB1 ALA 8 1HB ALA 8 -1.860 -0.419 2.781 40 HB2 ALA 8 2HB ALA 8 -2.570 0.009 4.337 41 HB3 ALA 8 3HB ALA 8 -2.919 -1.560 3.609 42 H THR 9 H THR 9 -1.668 -3.838 4.361 43 HA THR 9 HA THR 9 0.661 -4.905 3.063 44 HB THR 9 HB THR 9 -1.854 -6.510 3.205 45 HG1 THR 9 1HG THR 9 -1.889 -6.565 5.356 46 HG21 THR 9 3HG2 THR 9 0.224 -7.531 2.404 47 HG22 THR 9 1HG2 THR 9 -0.292 -8.264 3.923 48 HG23 THR 9 2HG2 THR 9 1.027 -7.094 3.912 49 H CYS 10 H CYS 10 1.062 -4.952 0.971 50 HA CYS 10 HA CYS 10 -1.145 -4.596 -0.940 51 HB2 CYS 10 2HB CYS 10 0.667 -2.890 -0.967 52 HB3 CYS 10 1HB CYS 10 1.819 -4.156 -1.372 53 H GLY 11 H GLY 11 -1.677 -6.177 -2.296 54 HA2 GLY 11 2HA GLY 11 -0.059 -7.973 -3.613 55 HA3 GLY 11 1HA GLY 11 -0.451 -8.754 -2.090 56 H LYS 12 H LYS 12 -3.046 -8.008 -1.684 57 HA LYS 12 HA LYS 12 -4.427 -9.522 -3.768 58 HB2 LYS 12 2HB LYS 12 -5.196 -8.698 -0.969 59 HB3 LYS 12 1HB LYS 12 -6.342 -9.428 -2.082 60 HG2 LYS 12 2HG LYS 12 -4.954 -11.426 -2.222 61 HG3 LYS 12 1HG LYS 12 -3.777 -10.691 -1.131 62 HD2 LYS 12 2HD LYS 12 -5.482 -10.577 0.625 63 HD3 LYS 12 1HD LYS 12 -6.653 -11.319 -0.467 64 HE2 LYS 12 2HE LYS 12 -5.263 -13.325 -0.599 65 HE3 LYS 12 1HE LYS 12 -4.082 -12.582 0.478 66 HZ1 LYS 12 3HZ LYS 12 -6.897 -13.228 1.173 67 HZ2 LYS 12 1HZ LYS 12 -5.772 -12.502 2.209 68 HZ3 LYS 12 2HZ LYS 12 -5.530 -14.089 1.677 69 H LEU 13 H LEU 13 -6.406 -8.804 -4.703 70 HA LEU 13 HA LEU 13 -6.485 -5.912 -5.085 71 HB2 LEU 13 2HB LEU 13 -6.475 -7.707 -6.965 72 HB3 LEU 13 1HB LEU 13 -8.173 -7.898 -6.581 73 HG LEU 13 HG LEU 13 -7.189 -5.144 -7.162 74 HD11 LEU 13 1HD1 LEU 13 -7.670 -7.236 -9.278 75 HD12 LEU 13 2HD1 LEU 13 -6.133 -6.451 -8.915 76 HD13 LEU 13 3HD1 LEU 13 -7.473 -5.509 -9.569 77 HD21 LEU 13 3HD2 LEU 13 -9.714 -6.650 -7.847 78 HD22 LEU 13 1HD2 LEU 13 -9.407 -4.944 -8.176 79 HD23 LEU 13 2HD2 LEU 13 -9.513 -5.516 -6.511 80 H ARG 14 H ARG 14 -7.491 -5.114 -3.299 81 HA ARG 14 HA ARG 14 -10.372 -5.552 -3.121 82 HB2 ARG 14 2HB ARG 14 -8.454 -5.934 -0.826 83 HB3 ARG 14 1HB ARG 14 -10.145 -5.536 -0.562 84 HG2 ARG 14 2HG ARG 14 -10.787 -7.573 -1.795 85 HG3 ARG 14 1HG ARG 14 -9.078 -7.980 -1.964 86 HD2 ARG 14 2HD ARG 14 -8.850 -8.078 0.460 87 HD3 ARG 14 1HD ARG 14 -10.544 -7.628 0.648 88 HE ARG 14 HE ARG 14 -10.217 -9.973 -0.951 89 HH11 ARG 14 1HH1 ARG 14 -10.343 -8.866 2.381 90 HH12 ARG 14 2HH1 ARG 14 -10.852 -10.404 2.992 91 HH21 ARG 14 1HH2 ARG 14 -10.886 -11.976 -0.128 92 HH22 ARG 14 2HH2 ARG 14 -11.159 -12.163 1.573 93 H LEU 15 H LEU 15 -7.558 -3.716 -1.984 94 HA LEU 15 HA LEU 15 -9.187 -1.265 -2.058 95 HB2 LEU 15 2HB LEU 15 -8.259 -2.388 0.264 96 HB3 LEU 15 1HB LEU 15 -6.966 -1.275 -0.130 97 HG LEU 15 HG LEU 15 -9.836 -0.366 -0.001 98 HD11 LEU 15 1HD1 LEU 15 -7.842 -0.377 2.259 99 HD12 LEU 15 2HD1 LEU 15 -9.252 -1.432 2.137 100 HD13 LEU 15 3HD1 LEU 15 -9.466 0.313 2.292 101 HD21 LEU 15 3HD2 LEU 15 -8.358 1.189 -1.084 102 HD22 LEU 15 1HD2 LEU 15 -7.178 1.044 0.217 103 HD23 LEU 15 2HD2 LEU 15 -8.738 1.807 0.522 104 H TYR 16 H TYR 16 -8.108 0.623 -2.692 105 HA TYR 16 HA TYR 16 -5.716 0.164 -4.299 106 HB2 TYR 16 2HB TYR 16 -7.891 1.411 -5.047 107 HB3 TYR 16 1HB TYR 16 -7.195 2.774 -4.179 108 HD1 TYR 16 1HD TYR 16 -5.187 3.882 -5.006 109 HD2 TYR 16 2HD TYR 16 -6.902 0.606 -7.111 110 HE1 TYR 16 1HE TYR 16 -3.836 4.451 -6.979 111 HE2 TYR 16 2HE TYR 16 -5.555 1.166 -9.091 112 HH TYR 16 HH TYR 16 -4.407 3.118 -10.046 113 H CYS 17 H CYS 17 -3.877 1.529 -4.191 114 HA CYS 17 HA CYS 17 -3.312 2.499 -1.492 115 HB2 CYS 17 2HB CYS 17 -1.697 1.420 -3.718 116 HB3 CYS 17 1HB CYS 17 -0.938 2.702 -2.780 117 H CYS 18 H CYS 18 -2.764 4.555 -0.999 118 HA CYS 18 HA CYS 18 -3.571 6.641 -2.783 119 HB2 CYS 18 2HB CYS 18 -2.204 6.837 -0.095 120 HB3 CYS 18 1HB CYS 18 -3.004 8.152 -0.945 121 H SER 19 H SER 19 -0.496 5.243 -1.879 122 HA SER 19 HA SER 19 1.017 7.418 -3.105 123 HB2 SER 19 2HB SER 19 3.011 6.105 -2.327 124 HB3 SER 19 1HB SER 19 1.920 6.598 -1.033 125 HG SER 19 HG SER 19 2.731 4.286 -1.182 126 H GLY 20 H GLY 20 0.029 4.129 -3.778 127 HA2 GLY 20 2HA GLY 20 -0.072 3.115 -5.878 128 HA3 GLY 20 1HA GLY 20 0.928 4.402 -6.526 129 H PHE 21 H PHE 21 2.853 3.825 -4.180 130 HA PHE 21 HA PHE 21 4.394 1.818 -5.619 131 HB2 PHE 21 2HB PHE 21 5.630 3.787 -5.103 132 HB3 PHE 21 1HB PHE 21 5.087 3.787 -3.435 133 HD1 PHE 21 2HD PHE 21 6.854 1.334 -5.676 134 HD2 PHE 21 1HD PHE 21 6.760 3.374 -1.937 135 HE1 PHE 21 2HE PHE 21 8.907 0.165 -4.984 136 HE2 PHE 21 1HE PHE 21 8.813 2.211 -1.251 137 HZ PHE 21 HZ PHE 21 9.885 0.608 -2.768 138 H CYS 22 H CYS 22 4.473 -0.216 -5.067 139 HA CYS 22 HA CYS 22 3.763 -1.014 -2.326 140 HB2 CYS 22 2HB CYS 22 3.285 -2.369 -4.970 141 HB3 CYS 22 1HB CYS 22 3.251 -3.271 -3.459 142 H ASP 23 H ASP 23 5.348 -1.807 -1.147 143 HA ASP 23 HA ASP 23 7.855 -2.601 -2.398 144 HB2 ASP 23 2HB ASP 23 7.147 -1.344 0.044 145 HB3 ASP 23 1HB ASP 23 7.906 -2.879 0.458 146 H SER 24 H SER 24 8.373 -4.625 -2.787 147 HA SER 24 HA SER 24 6.706 -6.800 -1.840 148 HB2 SER 24 2HB SER 24 8.111 -8.177 -3.397 149 HB3 SER 24 1HB SER 24 7.289 -6.824 -4.173 150 HG SER 24 HG SER 24 9.871 -6.410 -3.190 151 H TYR 25 H TYR 25 9.460 -5.286 -0.686 152 HA TYR 25 HA TYR 25 10.910 -7.559 0.300 153 HB2 TYR 25 2HB TYR 25 11.715 -5.098 -0.146 154 HB3 TYR 25 1HB TYR 25 11.161 -4.823 1.500 155 HD1 TYR 25 1HD TYR 25 12.315 -5.839 3.387 156 HD2 TYR 25 2HD TYR 25 13.659 -6.484 -0.597 157 HE1 TYR 25 1HE TYR 25 14.447 -6.705 4.254 158 HE2 TYR 25 2HE TYR 25 15.795 -7.353 0.257 159 HH TYR 25 HH TYR 25 17.170 -7.186 2.289 160 H THR 26 H THR 26 8.196 -5.743 1.372 161 HA THR 26 HA THR 26 8.058 -7.329 3.834 162 HB THR 26 HB THR 26 7.129 -5.290 5.025 163 HG1 THR 26 1HG THR 26 6.779 -3.875 3.345 164 HG21 THR 26 3HG2 THR 26 10.026 -5.195 4.167 165 HG22 THR 26 1HG2 THR 26 9.370 -6.140 5.506 166 HG23 THR 26 2HG2 THR 26 9.343 -4.378 5.575 167 H LYS 27 H LYS 27 6.651 -6.500 1.000 168 HA LYS 27 HA LYS 27 4.596 -6.632 0.052 169 HB2 LYS 27 2HB LYS 27 4.135 -8.377 2.472 170 HB3 LYS 27 1HB LYS 27 2.908 -8.149 1.233 171 HG2 LYS 27 2HG LYS 27 4.450 -9.049 -0.448 172 HG3 LYS 27 1HG LYS 27 5.660 -9.299 0.812 173 HD2 LYS 27 2HD LYS 27 4.146 -10.835 1.965 174 HD3 LYS 27 1HD LYS 27 2.926 -10.575 0.716 175 HE2 LYS 27 2HE LYS 27 4.454 -11.498 -0.961 176 HE3 LYS 27 1HE LYS 27 5.669 -11.760 0.291 177 HZ1 LYS 27 3HZ LYS 27 4.152 -13.289 1.389 178 HZ2 LYS 27 1HZ LYS 27 4.453 -13.786 -0.201 179 HZ3 LYS 27 2HZ LYS 27 2.987 -13.036 0.188 180 H THR 28 H THR 28 5.004 -4.266 1.251 181 HA THR 28 HA THR 28 2.309 -3.514 2.144 182 HB THR 28 HB THR 28 3.378 -1.891 3.794 183 HG1 THR 28 1HG THR 28 5.576 -2.522 2.826 184 HG21 THR 28 3HG2 THR 28 3.604 -4.851 4.354 185 HG22 THR 28 1HG2 THR 28 2.155 -3.864 4.542 186 HG23 THR 28 2HG2 THR 28 3.557 -3.579 5.574 187 H CYS 29 H CYS 29 1.880 -1.187 1.962 188 HA CYS 29 HA CYS 29 3.099 -0.110 -0.436 189 HB2 CYS 29 2HB CYS 29 0.539 0.056 0.765 190 HB3 CYS 29 1HB CYS 29 1.189 1.691 0.692 191 H LYS 30 H LYS 30 4.488 1.505 -0.573 192 HA LYS 30 HA LYS 30 5.052 3.134 1.817 193 HB2 LYS 30 2HB LYS 30 7.026 1.710 0.039 194 HB3 LYS 30 1HB LYS 30 7.492 3.045 1.082 195 HG2 LYS 30 2HG LYS 30 6.314 1.558 2.921 196 HG3 LYS 30 1HG LYS 30 6.704 0.269 1.780 197 HD2 LYS 30 2HD LYS 30 9.042 0.867 1.841 198 HD3 LYS 30 1HD LYS 30 8.693 2.260 2.867 199 HE2 LYS 30 2HE LYS 30 9.450 0.653 4.367 200 HE3 LYS 30 1HE LYS 30 7.698 0.553 4.504 201 HZ1 LYS 30 3HZ LYS 30 9.410 -1.262 2.892 202 HZ2 LYS 30 1HZ LYS 30 7.726 -1.357 3.024 203 HZ3 LYS 30 2HZ LYS 30 8.698 -1.639 4.379 204 H ASP 31 H ASP 31 6.238 5.152 1.322 205 HA ASP 31 HA ASP 31 5.204 6.385 -1.104 206 HB2 ASP 31 2HB ASP 31 6.562 7.513 1.349 207 HB3 ASP 31 1HB ASP 31 6.141 8.497 -0.049 208 H LYS 32 H LYS 32 6.368 6.694 -2.883 209 HA LYS 32 HA LYS 32 9.226 6.122 -2.828 210 HB2 LYS 32 2HB LYS 32 9.020 6.195 -5.349 211 HB3 LYS 32 1HB LYS 32 8.132 4.916 -4.541 212 HG2 LYS 32 2HG LYS 32 6.056 6.077 -4.850 213 HG3 LYS 32 1HG LYS 32 6.893 7.501 -5.472 214 HD2 LYS 32 2HD LYS 32 7.649 6.249 -7.404 215 HD3 LYS 32 1HD LYS 32 6.921 4.773 -6.764 216 HE2 LYS 32 2HE LYS 32 4.712 5.810 -6.897 217 HE3 LYS 32 1HE LYS 32 5.439 7.282 -7.535 218 HZ1 LYS 32 3HZ LYS 32 4.521 5.913 -9.300 219 HZ2 LYS 32 1HZ LYS 32 5.508 4.617 -8.843 220 HZ3 LYS 32 2HZ LYS 32 6.201 6.031 -9.457 221 H SER 33 H SER 33 7.042 8.717 -3.875 222 HA SER 33 HA SER 33 9.338 10.512 -4.222 223 HB2 SER 33 2HB SER 33 6.445 10.854 -5.055 224 HB3 SER 33 1HB SER 33 7.742 12.006 -5.376 225 HG SER 33 HG SER 33 8.410 10.798 -6.963 226 H SER 34 H SER 34 9.656 12.270 -2.976 227 HA SER 34 HA SER 34 7.900 12.600 -0.648 228 HB2 SER 34 2HB SER 34 10.741 13.545 -1.103 229 HB3 SER 34 1HB SER 34 9.814 13.780 0.379 230 HG SER 34 HG SER 34 9.654 11.438 0.454 231 H ALA 35 H ALA 35 7.057 14.575 -0.066 232 HA ALA 35 HA ALA 35 7.341 16.767 -2.015 233 HB1 ALA 35 1HB ALA 35 4.978 17.292 -1.740 234 HB2 ALA 35 2HB ALA 35 4.795 15.940 -0.622 235 HB3 ALA 35 3HB ALA 35 5.187 15.637 -2.315 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -14.847 2.573 -3.030 2 H2 GLY 1 2HT GLY 1 -15.137 2.817 -4.679 3 H3 GLY 1 3HT GLY 1 -15.115 4.136 -3.621 4 HA2 GLY 1 1HA GLY 1 -12.794 2.413 -4.295 5 HA3 GLY 1 2HA GLY 1 -13.072 4.036 -4.907 6 H TRP 2 H TRP 2 -11.706 2.164 -2.445 7 HA TRP 2 HA TRP 2 -11.468 4.401 -0.572 8 HB2 TRP 2 2HB TRP 2 -10.697 1.483 -0.326 9 HB3 TRP 2 1HB TRP 2 -10.383 2.688 0.916 10 HD1 TRP 2 HD TRP 2 -13.183 0.608 -0.597 11 HE1 TRP 2 1HE TRP 2 -15.273 0.795 0.890 12 HE3 TRP 2 3HE TRP 2 -11.611 4.313 2.573 13 HZ2 TRP 2 2HZ TRP 2 -16.143 2.304 3.107 14 HZ3 TRP 2 3HZ TRP 2 -13.138 5.066 4.348 15 HH2 TRP 2 HH TRP 2 -15.357 4.082 4.607 16 H CYS 3 H CYS 3 -9.440 5.106 0.222 17 HA CYS 3 HA CYS 3 -7.252 4.795 -1.710 18 HB2 CYS 3 2HB CYS 3 -8.200 7.102 -1.054 19 HB3 CYS 3 1HB CYS 3 -7.370 6.863 0.479 20 H GLY 4 H GLY 4 -5.495 3.674 -1.183 21 HA2 GLY 4 2HA GLY 4 -5.305 2.441 1.423 22 HA3 GLY 4 1HA GLY 4 -4.263 2.137 0.046 23 H ASP 5 H ASP 5 -4.338 3.285 3.096 24 HA ASP 5 HA ASP 5 -2.343 5.394 2.782 25 HB2 ASP 5 2HB ASP 5 -3.941 4.353 5.116 26 HB3 ASP 5 1HB ASP 5 -2.596 5.463 5.346 27 HA HYP 6 HA HYP 6 1.303 2.958 3.616 28 HB2 HYP 6 2HB HYP 6 2.488 4.461 5.664 29 HB3 HYP 6 1HB HYP 6 2.706 4.734 3.925 30 HG HYP 6 2HG HYP 6 0.931 6.154 5.850 31 HD22 HYP 6 1HD HYP 6 0.231 6.064 2.928 32 HD23 HYP 6 2HD HYP 6 -0.819 6.362 4.328 33 HD1 HYP 6 1HG HYP 6 2.233 7.621 4.995 34 H GLY 7 H GLY 7 1.543 1.132 4.697 35 HA2 GLY 7 2HA GLY 7 1.964 0.011 6.826 36 HA3 GLY 7 1HA GLY 7 0.684 0.994 7.521 37 H ALA 8 H ALA 8 -0.158 0.001 4.431 38 HA ALA 8 HA ALA 8 -1.940 -2.069 5.498 39 HB1 ALA 8 1HB ALA 8 -2.987 -0.202 4.304 40 HB2 ALA 8 2HB ALA 8 -3.255 -1.734 3.472 41 HB3 ALA 8 3HB ALA 8 -2.050 -0.599 2.864 42 H THR 9 H THR 9 -2.237 -4.061 4.372 43 HA THR 9 HA THR 9 0.224 -5.136 3.287 44 HB THR 9 HB THR 9 -2.271 -6.780 3.362 45 HG1 THR 9 1HG THR 9 -2.552 -6.066 5.370 46 HG21 THR 9 3HG2 THR 9 -0.711 -8.499 4.165 47 HG22 THR 9 1HG2 THR 9 0.591 -7.309 4.185 48 HG23 THR 9 2HG2 THR 9 -0.148 -7.782 2.655 49 H CYS 10 H CYS 10 0.711 -5.154 1.212 50 HA CYS 10 HA CYS 10 -1.435 -4.931 -0.789 51 HB2 CYS 10 2HB CYS 10 0.249 -3.099 -0.742 52 HB3 CYS 10 1HB CYS 10 1.508 -4.278 -1.086 53 H GLY 11 H GLY 11 -1.947 -6.754 -1.783 54 HA2 GLY 11 2HA GLY 11 -0.582 -8.336 -3.414 55 HA3 GLY 11 1HA GLY 11 -0.051 -8.974 -1.866 56 H LYS 12 H LYS 12 -2.310 -8.965 -0.359 57 HA LYS 12 HA LYS 12 -3.883 -11.062 -1.635 58 HB2 LYS 12 2HB LYS 12 -3.612 -10.122 1.213 59 HB3 LYS 12 1HB LYS 12 -4.877 -11.241 0.730 60 HG2 LYS 12 2HG LYS 12 -3.266 -12.695 1.461 61 HG3 LYS 12 1HG LYS 12 -2.873 -12.613 -0.256 62 HD2 LYS 12 2HD LYS 12 -1.131 -10.970 0.207 63 HD3 LYS 12 1HD LYS 12 -1.546 -10.996 1.922 64 HE2 LYS 12 2HE LYS 12 -0.941 -13.368 2.025 65 HE3 LYS 12 1HE LYS 12 -0.519 -13.333 0.314 66 HZ1 LYS 12 3HZ LYS 12 1.442 -13.124 1.694 67 HZ2 LYS 12 1HZ LYS 12 0.799 -11.759 2.461 68 HZ3 LYS 12 2HZ LYS 12 1.197 -11.698 0.818 69 H LEU 13 H LEU 13 -4.362 -7.883 -0.144 70 HA LEU 13 HA LEU 13 -7.206 -7.920 -0.802 71 HB2 LEU 13 2HB LEU 13 -5.501 -5.933 0.698 72 HB3 LEU 13 1HB LEU 13 -7.200 -5.682 0.355 73 HG LEU 13 HG LEU 13 -7.444 -8.016 1.589 74 HD11 LEU 13 1HD1 LEU 13 -4.921 -6.877 2.786 75 HD12 LEU 13 2HD1 LEU 13 -5.052 -8.385 1.880 76 HD13 LEU 13 3HD1 LEU 13 -5.860 -8.219 3.438 77 HD21 LEU 13 3HD2 LEU 13 -7.837 -6.785 3.674 78 HD22 LEU 13 1HD2 LEU 13 -8.516 -5.951 2.277 79 HD23 LEU 13 2HD2 LEU 13 -7.008 -5.384 2.994 80 H ARG 14 H ARG 14 -8.202 -6.413 -2.159 81 HA ARG 14 HA ARG 14 -6.444 -5.340 -4.232 82 HB2 ARG 14 2HB ARG 14 -9.400 -5.922 -4.152 83 HB3 ARG 14 1HB ARG 14 -8.675 -4.988 -5.452 84 HG2 ARG 14 2HG ARG 14 -7.213 -6.887 -5.985 85 HG3 ARG 14 1HG ARG 14 -7.985 -7.823 -4.703 86 HD2 ARG 14 2HD ARG 14 -10.133 -7.628 -5.847 87 HD3 ARG 14 1HD ARG 14 -9.376 -6.670 -7.118 88 HE ARG 14 HE ARG 14 -8.062 -9.162 -6.835 89 HH11 ARG 14 1HH1 ARG 14 -11.016 -7.781 -8.140 90 HH12 ARG 14 2HH1 ARG 14 -11.211 -9.030 -9.324 91 HH21 ARG 14 2HH2 ARG 14 -8.339 -10.786 -8.392 92 HH22 ARG 14 1HH2 ARG 14 -9.698 -10.729 -9.465 93 H LEU 15 H LEU 15 -5.657 -3.553 -3.104 94 HA LEU 15 HA LEU 15 -7.413 -1.228 -3.192 95 HB2 LEU 15 2HB LEU 15 -7.517 -2.045 -0.852 96 HB3 LEU 15 1HB LEU 15 -5.776 -1.937 -0.742 97 HG LEU 15 HG LEU 15 -5.943 0.536 -1.008 98 HD11 LEU 15 1HD1 LEU 15 -8.910 0.031 -0.849 99 HD12 LEU 15 2HD1 LEU 15 -8.028 0.750 -2.197 100 HD13 LEU 15 3HD1 LEU 15 -8.138 1.606 -0.660 101 HD21 LEU 15 3HD2 LEU 15 -7.070 0.914 1.238 102 HD22 LEU 15 1HD2 LEU 15 -5.718 -0.219 1.200 103 HD23 LEU 15 2HD2 LEU 15 -7.374 -0.823 1.250 104 H TYR 16 H TYR 16 -6.392 0.622 -3.782 105 HA TYR 16 HA TYR 16 -3.618 0.358 -4.659 106 HB2 TYR 16 2HB TYR 16 -5.782 2.364 -5.305 107 HB3 TYR 16 1HB TYR 16 -4.121 2.536 -5.859 108 HD1 TYR 16 2HD TYR 16 -7.240 0.655 -6.236 109 HD2 TYR 16 1HD TYR 16 -3.223 1.067 -7.578 110 HE1 TYR 16 2HE TYR 16 -7.752 -0.755 -8.184 111 HE2 TYR 16 1HE TYR 16 -3.725 -0.341 -9.531 112 HH TYR 16 HH TYR 16 -6.889 -1.147 -10.452 113 H CYS 17 H CYS 17 -2.092 2.081 -4.327 114 HA CYS 17 HA CYS 17 -2.159 3.110 -1.626 115 HB2 CYS 17 2HB CYS 17 -0.147 2.313 -3.437 116 HB3 CYS 17 1HB CYS 17 0.115 4.023 -3.121 117 H CYS 18 H CYS 18 -2.292 5.191 -0.980 118 HA CYS 18 HA CYS 18 -3.631 7.095 -2.542 119 HB2 CYS 18 2HB CYS 18 -2.107 7.308 0.046 120 HB3 CYS 18 1HB CYS 18 -2.924 8.691 -0.675 121 H SER 19 H SER 19 -0.205 6.567 -2.006 122 HA SER 19 HA SER 19 0.512 8.994 -3.479 123 HB2 SER 19 2HB SER 19 2.857 8.374 -2.819 124 HB3 SER 19 1HB SER 19 1.777 8.660 -1.455 125 HG SER 19 HG SER 19 2.234 6.719 -0.829 126 H GLY 20 H GLY 20 0.432 5.526 -3.794 127 HA2 GLY 20 2HA GLY 20 0.296 4.475 -5.929 128 HA3 GLY 20 1HA GLY 20 1.254 5.782 -6.601 129 H PHE 21 H PHE 21 1.855 3.702 -3.759 130 HA PHE 21 HA PHE 21 4.081 2.429 -5.156 131 HB2 PHE 21 2HB PHE 21 5.118 4.378 -4.089 132 HB3 PHE 21 1HB PHE 21 4.430 3.925 -2.538 133 HD1 PHE 21 2HD PHE 21 5.219 1.794 -1.444 134 HD2 PHE 21 1HD PHE 21 7.195 3.507 -4.800 135 HE1 PHE 21 2HE PHE 21 7.227 0.471 -0.930 136 HE2 PHE 21 1HE PHE 21 9.211 2.189 -4.283 137 HZ PHE 21 HZ PHE 21 9.214 0.671 -2.335 138 H CYS 22 H CYS 22 3.722 0.356 -4.972 139 HA CYS 22 HA CYS 22 2.801 -0.744 -2.399 140 HB2 CYS 22 2HB CYS 22 1.881 -1.201 -5.114 141 HB3 CYS 22 1HB CYS 22 2.400 -2.706 -4.364 142 H ASP 23 H ASP 23 4.469 -1.583 -1.327 143 HA ASP 23 HA ASP 23 6.867 -2.490 -2.637 144 HB2 ASP 23 2HB ASP 23 6.153 -1.643 -0.030 145 HB3 ASP 23 1HB ASP 23 6.778 -3.282 0.123 146 H SER 24 H SER 24 7.189 -4.428 -3.448 147 HA SER 24 HA SER 24 5.336 -6.594 -2.959 148 HB2 SER 24 2HB SER 24 6.659 -7.755 -4.743 149 HB3 SER 24 1HB SER 24 5.970 -6.210 -5.239 150 HG SER 24 HG SER 24 8.639 -6.906 -4.758 151 H TYR 25 H TYR 25 8.735 -5.901 -2.236 152 HA TYR 25 HA TYR 25 9.435 -8.526 -1.398 153 HB2 TYR 25 2HB TYR 25 10.911 -6.398 -0.025 154 HB3 TYR 25 1HB TYR 25 11.509 -7.702 -1.037 155 HD1 TYR 25 1HD TYR 25 11.379 -7.383 -3.580 156 HD2 TYR 25 2HD TYR 25 10.850 -4.208 -0.801 157 HE1 TYR 25 1HE TYR 25 11.863 -5.758 -5.354 158 HE2 TYR 25 2HE TYR 25 11.331 -2.574 -2.562 159 HH TYR 25 HH TYR 25 11.417 -3.388 -5.857 160 H THR 26 H THR 26 8.143 -5.724 0.284 161 HA THR 26 HA THR 26 8.096 -7.178 2.827 162 HB THR 26 HB THR 26 7.421 -5.023 3.843 163 HG1 THR 26 1HG THR 26 7.999 -3.700 1.429 164 HG21 THR 26 3HG2 THR 26 9.867 -4.706 2.096 165 HG22 THR 26 1HG2 THR 26 9.826 -5.622 3.605 166 HG23 THR 26 2HG2 THR 26 9.538 -3.882 3.621 167 H LYS 27 H LYS 27 6.113 -6.560 0.177 168 HA LYS 27 HA LYS 27 3.917 -6.811 -0.330 169 HB2 LYS 27 2HB LYS 27 4.068 -8.595 2.103 170 HB3 LYS 27 1HB LYS 27 2.619 -8.459 1.119 171 HG2 LYS 27 2HG LYS 27 3.847 -9.265 -0.825 172 HG3 LYS 27 1HG LYS 27 5.321 -9.369 0.141 173 HD2 LYS 27 2HD LYS 27 4.255 -11.024 1.591 174 HD3 LYS 27 1HD LYS 27 2.775 -10.911 0.637 175 HE2 LYS 27 2HE LYS 27 3.991 -11.710 -1.333 176 HE3 LYS 27 1HE LYS 27 5.466 -11.825 -0.374 177 HZ1 LYS 27 3HZ LYS 27 4.385 -13.476 1.022 178 HZ2 LYS 27 1HZ LYS 27 4.385 -13.972 -0.596 179 HZ3 LYS 27 2HZ LYS 27 2.970 -13.364 0.103 180 H THR 28 H THR 28 4.442 -4.436 0.888 181 HA THR 28 HA THR 28 1.891 -3.838 2.193 182 HB THR 28 HB THR 28 3.130 -2.315 3.837 183 HG1 THR 28 1HG THR 28 5.257 -3.967 2.935 184 HG21 THR 28 3HG2 THR 28 3.507 -4.149 5.455 185 HG22 THR 28 1HG2 THR 28 3.351 -5.313 4.138 186 HG23 THR 28 2HG2 THR 28 1.975 -4.309 4.594 187 H CYS 29 H CYS 29 1.420 -1.521 2.275 188 HA CYS 29 HA CYS 29 2.356 -0.168 -0.120 189 HB2 CYS 29 2HB CYS 29 -0.070 -0.246 1.337 190 HB3 CYS 29 1HB CYS 29 0.514 1.412 1.411 191 H LYS 30 H LYS 30 3.694 1.545 -0.186 192 HA LYS 30 HA LYS 30 4.311 2.989 2.303 193 HB2 LYS 30 2HB LYS 30 6.375 1.784 0.449 194 HB3 LYS 30 1HB LYS 30 6.752 2.948 1.700 195 HG2 LYS 30 2HG LYS 30 5.757 1.294 3.343 196 HG3 LYS 30 1HG LYS 30 5.769 0.130 2.016 197 HD2 LYS 30 2HD LYS 30 8.182 0.433 1.766 198 HD3 LYS 30 1HD LYS 30 8.175 1.604 3.088 199 HE2 LYS 30 2HE LYS 30 7.377 -0.134 4.617 200 HE3 LYS 30 1HE LYS 30 7.387 -1.301 3.295 201 HZ1 LYS 30 3HZ LYS 30 9.776 -1.000 3.093 202 HZ2 LYS 30 1HZ LYS 30 9.370 -1.491 4.661 203 HZ3 LYS 30 2HZ LYS 30 9.767 0.124 4.356 204 H ASP 31 H ASP 31 5.861 4.920 1.725 205 HA ASP 31 HA ASP 31 4.565 6.415 -0.409 206 HB2 ASP 31 2HB ASP 31 6.496 7.221 1.772 207 HB3 ASP 31 1HB ASP 31 5.925 8.333 0.533 208 H LYS 32 H LYS 32 5.705 7.519 -2.062 209 HA LYS 32 HA LYS 32 8.092 6.100 -2.968 210 HB2 LYS 32 2HB LYS 32 5.952 6.640 -4.376 211 HB3 LYS 32 1HB LYS 32 6.683 8.228 -4.553 212 HG2 LYS 32 2HG LYS 32 8.651 7.227 -5.579 213 HG3 LYS 32 1HG LYS 32 7.959 5.618 -5.361 214 HD2 LYS 32 2HD LYS 32 6.087 6.230 -6.817 215 HD3 LYS 32 1HD LYS 32 6.782 7.837 -7.034 216 HE2 LYS 32 2HE LYS 32 8.768 6.840 -8.056 217 HE3 LYS 32 1HE LYS 32 8.078 5.234 -7.834 218 HZ1 LYS 32 3HZ LYS 32 6.259 5.853 -9.300 219 HZ2 LYS 32 1HZ LYS 32 7.746 6.034 -10.086 220 HZ3 LYS 32 2HZ LYS 32 6.922 7.394 -9.513 221 H SER 33 H SER 33 7.013 9.408 -2.254 222 HA SER 33 HA SER 33 9.755 10.401 -2.561 223 HB2 SER 33 2HB SER 33 7.152 11.907 -2.194 224 HB3 SER 33 1HB SER 33 8.734 12.650 -2.434 225 HG SER 33 HG SER 33 7.348 10.965 -4.252 226 H SER 34 H SER 34 10.881 11.371 -0.914 227 HA SER 34 HA SER 34 9.905 10.804 1.793 228 HB2 SER 34 2HB SER 34 12.125 9.889 1.057 229 HB3 SER 34 1HB SER 34 12.713 11.546 0.936 230 HG SER 34 HG SER 34 13.168 10.455 2.966 231 H ALA 35 H ALA 35 11.305 13.419 -0.158 232 HA ALA 35 HA ALA 35 10.723 15.347 1.973 233 HB1 ALA 35 1HB ALA 35 12.125 16.902 0.727 234 HB2 ALA 35 2HB ALA 35 12.308 15.720 -0.567 235 HB3 ALA 35 3HB ALA 35 12.981 15.391 1.028 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -11.659 5.917 -5.891 2 H2 GLY 1 2HT GLY 1 -11.467 4.802 -7.149 3 H3 GLY 1 3HT GLY 1 -10.166 5.158 -6.129 4 HA2 GLY 1 1HA GLY 1 -12.681 3.801 -5.326 5 HA3 GLY 1 2HA GLY 1 -11.130 3.012 -5.574 6 H TRP 2 H TRP 2 -10.817 2.262 -3.530 7 HA TRP 2 HA TRP 2 -10.917 4.139 -1.285 8 HB2 TRP 2 2HB TRP 2 -10.586 1.132 -1.371 9 HB3 TRP 2 1HB TRP 2 -10.555 2.085 0.109 10 HD1 TRP 2 HD TRP 2 -12.953 0.861 -2.613 11 HE1 TRP 2 1HE TRP 2 -15.368 1.103 -1.761 12 HE3 TRP 2 3HE TRP 2 -12.042 3.413 1.734 13 HZ2 TRP 2 2HZ TRP 2 -16.710 2.222 0.451 14 HZ3 TRP 2 3HZ TRP 2 -13.952 4.029 3.157 15 HH2 TRP 2 HH TRP 2 -16.238 3.446 2.526 16 H CYS 3 H CYS 3 -9.169 4.476 0.108 17 HA CYS 3 HA CYS 3 -6.532 3.625 -0.881 18 HB2 CYS 3 2HB CYS 3 -6.784 5.911 -1.588 19 HB3 CYS 3 1HB CYS 3 -7.349 6.400 0.000 20 H GLY 4 H GLY 4 -5.033 3.091 0.628 21 HA2 GLY 4 2HA GLY 4 -6.002 2.842 3.392 22 HA3 GLY 4 1HA GLY 4 -4.724 1.887 2.664 23 H ASP 5 H ASP 5 -4.234 2.897 5.082 24 HA ASP 5 HA ASP 5 -2.794 5.418 4.822 25 HB2 ASP 5 2HB ASP 5 -3.431 3.636 7.176 26 HB3 ASP 5 1HB ASP 5 -2.373 5.035 7.310 27 HA HYP 6 HA HYP 6 1.312 3.723 4.291 28 HB2 HYP 6 2HB HYP 6 2.308 5.233 6.649 29 HB3 HYP 6 1HB HYP 6 2.840 5.302 4.957 30 HG HYP 6 2HG HYP 6 1.451 7.307 6.023 31 HD22 HYP 6 1HD HYP 6 -0.957 6.606 5.002 32 HD23 HYP 6 2HD HYP 6 -0.521 6.276 6.692 33 HD1 HYP 6 1HG HYP 6 0.405 6.554 3.544 34 H GLY 7 H GLY 7 1.840 1.722 4.778 35 HA2 GLY 7 2HA GLY 7 2.958 0.212 6.326 36 HA3 GLY 7 1HA GLY 7 1.976 0.899 7.612 37 H ALA 8 H ALA 8 0.244 0.453 4.735 38 HA ALA 8 HA ALA 8 -1.246 -1.772 5.882 39 HB1 ALA 8 1HB ALA 8 -2.901 -1.293 4.158 40 HB2 ALA 8 2HB ALA 8 -1.811 -0.121 3.417 41 HB3 ALA 8 3HB ALA 8 -2.467 0.180 5.026 42 H THR 9 H THR 9 -1.750 -3.683 4.694 43 HA THR 9 HA THR 9 0.471 -4.699 3.156 44 HB THR 9 HB THR 9 -2.026 -6.308 3.407 45 HG1 THR 9 1HG THR 9 -1.482 -6.784 5.609 46 HG21 THR 9 3HG2 THR 9 -0.417 -8.090 3.923 47 HG22 THR 9 1HG2 THR 9 0.897 -6.914 3.892 48 HG23 THR 9 2HG2 THR 9 -0.003 -7.270 2.418 49 H CYS 10 H CYS 10 0.592 -5.036 1.013 50 HA CYS 10 HA CYS 10 -1.681 -4.162 -0.637 51 HB2 CYS 10 2HB CYS 10 0.486 -2.952 -0.891 52 HB3 CYS 10 1HB CYS 10 1.221 -4.455 -1.437 53 H GLY 11 H GLY 11 -2.434 -5.385 -2.345 54 HA2 GLY 11 2HA GLY 11 -1.245 -7.935 -3.011 55 HA3 GLY 11 1HA GLY 11 -2.764 -8.060 -2.138 56 H LYS 12 H LYS 12 -3.768 -9.064 -3.901 57 HA LYS 12 HA LYS 12 -4.144 -7.423 -6.312 58 HB2 LYS 12 2HB LYS 12 -4.495 -10.371 -5.792 59 HB3 LYS 12 1HB LYS 12 -5.146 -9.596 -7.229 60 HG2 LYS 12 2HG LYS 12 -2.888 -8.881 -7.858 61 HG3 LYS 12 1HG LYS 12 -2.244 -9.686 -6.426 62 HD2 LYS 12 2HD LYS 12 -3.074 -11.831 -7.256 63 HD3 LYS 12 1HD LYS 12 -3.733 -11.029 -8.682 64 HE2 LYS 12 2HE LYS 12 -1.475 -10.332 -9.326 65 HE3 LYS 12 1HE LYS 12 -0.820 -11.140 -7.903 66 HZ1 LYS 12 3HZ LYS 12 -0.591 -12.508 -9.876 67 HZ2 LYS 12 1HZ LYS 12 -2.263 -12.469 -10.134 68 HZ3 LYS 12 2HZ LYS 12 -1.635 -13.245 -8.768 69 H LEU 13 H LEU 13 -5.931 -9.204 -3.823 70 HA LEU 13 HA LEU 13 -8.485 -8.186 -4.804 71 HB2 LEU 13 2HB LEU 13 -8.006 -10.586 -3.950 72 HB3 LEU 13 1HB LEU 13 -8.098 -9.881 -2.350 73 HG LEU 13 HG LEU 13 -10.431 -8.995 -3.227 74 HD11 LEU 13 1HD1 LEU 13 -11.518 -10.611 -4.705 75 HD12 LEU 13 2HD1 LEU 13 -9.985 -11.457 -4.911 76 HD13 LEU 13 3HD1 LEU 13 -10.169 -9.809 -5.508 77 HD21 LEU 13 3HD2 LEU 13 -11.476 -11.002 -2.283 78 HD22 LEU 13 1HD2 LEU 13 -10.119 -10.445 -1.304 79 HD23 LEU 13 2HD2 LEU 13 -9.927 -11.840 -2.365 80 H ARG 14 H ARG 14 -6.132 -6.832 -3.101 81 HA ARG 14 HA ARG 14 -7.722 -5.703 -0.928 82 HB2 ARG 14 2HB ARG 14 -4.799 -5.584 -1.652 83 HB3 ARG 14 1HB ARG 14 -5.486 -4.536 -0.419 84 HG2 ARG 14 2HG ARG 14 -6.119 -6.419 0.920 85 HG3 ARG 14 1HG ARG 14 -5.653 -7.541 -0.361 86 HD2 ARG 14 2HD ARG 14 -3.330 -6.838 -0.145 87 HD3 ARG 14 1HD ARG 14 -3.786 -5.683 1.107 88 HE ARG 14 HE ARG 14 -4.614 -7.817 2.301 89 HH11 ARG 14 1HH1 ARG 14 -1.744 -7.653 0.284 90 HH12 ARG 14 2HH1 ARG 14 -0.936 -8.930 1.130 91 HH21 ARG 14 1HH2 ARG 14 -3.537 -9.484 3.396 92 HH22 ARG 14 2HH2 ARG 14 -1.952 -9.966 2.890 93 H LEU 15 H LEU 15 -7.341 -3.254 -0.550 94 HA LEU 15 HA LEU 15 -8.411 -1.859 -2.809 95 HB2 LEU 15 2HB LEU 15 -8.480 0.092 -1.292 96 HB3 LEU 15 1HB LEU 15 -9.245 -1.329 -0.616 97 HG LEU 15 HG LEU 15 -6.824 -1.601 0.512 98 HD11 LEU 15 1HD1 LEU 15 -5.885 0.383 -0.533 99 HD12 LEU 15 2HD1 LEU 15 -5.990 0.588 1.215 100 HD13 LEU 15 3HD1 LEU 15 -7.169 1.373 0.163 101 HD21 LEU 15 3HD2 LEU 15 -8.806 -1.597 1.810 102 HD22 LEU 15 1HD2 LEU 15 -9.131 0.096 1.433 103 HD23 LEU 15 2HD2 LEU 15 -7.768 -0.330 2.469 104 H TYR 16 H TYR 16 -7.529 0.412 -3.345 105 HA TYR 16 HA TYR 16 -4.742 0.107 -4.144 106 HB2 TYR 16 2HB TYR 16 -6.897 2.070 -4.936 107 HB3 TYR 16 1HB TYR 16 -5.232 2.202 -5.490 108 HD1 TYR 16 1HD TYR 16 -4.329 0.619 -7.101 109 HD2 TYR 16 2HD TYR 16 -8.354 0.307 -5.758 110 HE1 TYR 16 1HE TYR 16 -4.823 -0.916 -8.958 111 HE2 TYR 16 2HE TYR 16 -8.858 -1.229 -7.610 112 HH TYR 16 HH TYR 16 -6.449 -2.675 -9.510 113 H CYS 17 H CYS 17 -3.168 1.750 -3.836 114 HA CYS 17 HA CYS 17 -3.570 3.289 -1.368 115 HB2 CYS 17 2HB CYS 17 -1.090 2.177 -2.671 116 HB3 CYS 17 1HB CYS 17 -1.017 3.370 -1.375 117 H CYS 18 H CYS 18 -3.203 5.433 -1.248 118 HA CYS 18 HA CYS 18 -3.686 7.097 -3.395 119 HB2 CYS 18 2HB CYS 18 -2.359 7.665 -0.752 120 HB3 CYS 18 1HB CYS 18 -2.781 8.930 -1.901 121 H SER 19 H SER 19 -0.568 5.926 -2.258 122 HA SER 19 HA SER 19 0.942 7.779 -3.902 123 HB2 SER 19 2HB SER 19 1.734 6.991 -1.653 124 HB3 SER 19 1HB SER 19 1.967 5.390 -2.355 125 HG SER 19 HG SER 19 3.699 7.307 -2.334 126 H GLY 20 H GLY 20 -0.195 4.474 -4.086 127 HA2 GLY 20 2HA GLY 20 -0.363 3.081 -5.922 128 HA3 GLY 20 1HA GLY 20 0.395 4.330 -6.894 129 H PHE 21 H PHE 21 2.003 3.171 -4.023 130 HA PHE 21 HA PHE 21 3.794 1.530 -5.681 131 HB2 PHE 21 2HB PHE 21 4.997 3.571 -5.339 132 HB3 PHE 21 1HB PHE 21 4.567 3.623 -3.638 133 HD1 PHE 21 2HD PHE 21 6.233 1.124 -5.906 134 HD2 PHE 21 1HD PHE 21 6.351 3.295 -2.241 135 HE1 PHE 21 2HE PHE 21 8.350 0.017 -5.316 136 HE2 PHE 21 1HE PHE 21 8.469 2.193 -1.658 137 HZ PHE 21 HZ PHE 21 9.468 0.555 -3.190 138 H CYS 22 H CYS 22 3.873 -0.466 -5.032 139 HA CYS 22 HA CYS 22 3.385 -1.106 -2.201 140 HB2 CYS 22 2HB CYS 22 2.802 -2.731 -4.683 141 HB3 CYS 22 1HB CYS 22 2.663 -3.357 -3.044 142 H ASP 23 H ASP 23 5.099 -1.782 -1.129 143 HA ASP 23 HA ASP 23 7.487 -2.651 -2.537 144 HB2 ASP 23 2HB ASP 23 6.963 -1.314 -0.092 145 HB3 ASP 23 1HB ASP 23 7.760 -2.832 0.315 146 H SER 24 H SER 24 8.007 -4.682 -2.883 147 HA SER 24 HA SER 24 6.409 -6.842 -1.816 148 HB2 SER 24 2HB SER 24 8.730 -6.863 -3.756 149 HB3 SER 24 1HB SER 24 7.721 -8.256 -3.364 150 HG SER 24 HG SER 24 6.049 -6.372 -4.010 151 H TYR 25 H TYR 25 9.167 -5.266 -0.750 152 HA TYR 25 HA TYR 25 10.673 -7.478 0.270 153 HB2 TYR 25 2HB TYR 25 11.392 -4.993 -0.201 154 HB3 TYR 25 1HB TYR 25 10.844 -4.728 1.449 155 HD1 TYR 25 2HD TYR 25 12.046 -5.698 3.331 156 HD2 TYR 25 1HD TYR 25 13.377 -6.316 -0.662 157 HE1 TYR 25 2HE TYR 25 14.214 -6.488 4.182 158 HE2 TYR 25 1HE TYR 25 15.549 -7.107 0.178 159 HH TYR 25 HH TYR 25 16.084 -7.895 3.434 160 H THR 26 H THR 26 7.949 -5.667 1.361 161 HA THR 26 HA THR 26 7.803 -7.282 3.801 162 HB THR 26 HB THR 26 6.929 -5.237 5.032 163 HG1 THR 26 1HG THR 26 6.969 -4.077 2.800 164 HG21 THR 26 3HG2 THR 26 9.826 -5.211 4.172 165 HG22 THR 26 1HG2 THR 26 9.146 -6.165 5.491 166 HG23 THR 26 2HG2 THR 26 9.168 -4.404 5.596 167 H LYS 27 H LYS 27 6.396 -6.406 0.993 168 HA LYS 27 HA LYS 27 4.331 -6.476 0.056 169 HB2 LYS 27 2HB LYS 27 4.488 -8.713 1.458 170 HB3 LYS 27 1HB LYS 27 3.217 -7.961 2.411 171 HG2 LYS 27 2HG LYS 27 1.828 -7.760 0.414 172 HG3 LYS 27 1HG LYS 27 3.107 -8.495 -0.555 173 HD2 LYS 27 2HD LYS 27 2.938 -10.540 0.785 174 HD3 LYS 27 1HD LYS 27 1.655 -9.802 1.745 175 HE2 LYS 27 2HE LYS 27 0.267 -9.610 -0.259 176 HE3 LYS 27 1HE LYS 27 1.552 -10.339 -1.221 177 HZ1 LYS 27 3HZ LYS 27 0.107 -11.655 1.015 178 HZ2 LYS 27 1HZ LYS 27 1.341 -12.356 0.094 179 HZ3 LYS 27 2HZ LYS 27 -0.135 -11.959 -0.631 180 H THR 28 H THR 28 4.839 -4.132 1.325 181 HA THR 28 HA THR 28 2.173 -3.324 2.281 182 HB THR 28 HB THR 28 3.323 -1.720 3.881 183 HG1 THR 28 1HG THR 28 5.448 -2.776 4.568 184 HG21 THR 28 3HG2 THR 28 3.574 -4.679 4.437 185 HG22 THR 28 1HG2 THR 28 2.128 -3.697 4.675 186 HG23 THR 28 2HG2 THR 28 3.566 -3.402 5.653 187 H CYS 29 H CYS 29 1.760 -1.028 2.134 188 HA CYS 29 HA CYS 29 2.754 0.053 -0.346 189 HB2 CYS 29 2HB CYS 29 0.536 0.677 1.532 190 HB3 CYS 29 1HB CYS 29 1.106 1.963 0.479 191 H LYS 30 H LYS 30 4.179 1.618 -0.636 192 HA LYS 30 HA LYS 30 5.025 3.264 1.655 193 HB2 LYS 30 2HB LYS 30 6.784 1.718 -0.242 194 HB3 LYS 30 1HB LYS 30 7.388 3.075 0.698 195 HG2 LYS 30 2HG LYS 30 6.316 1.681 2.688 196 HG3 LYS 30 1HG LYS 30 6.614 0.349 1.569 197 HD2 LYS 30 2HD LYS 30 8.955 0.934 1.437 198 HD3 LYS 30 1HD LYS 30 8.687 2.358 2.446 199 HE2 LYS 30 2HE LYS 30 9.549 0.781 3.926 200 HE3 LYS 30 1HE LYS 30 7.812 0.710 4.201 201 HZ1 LYS 30 3HZ LYS 30 8.770 -1.500 4.065 202 HZ2 LYS 30 1HZ LYS 30 9.372 -1.175 2.516 203 HZ3 LYS 30 2HZ LYS 30 7.703 -1.242 2.779 204 H ASP 31 H ASP 31 6.249 5.223 0.983 205 HA ASP 31 HA ASP 31 4.985 6.443 -1.337 206 HB2 ASP 31 2HB ASP 31 6.670 7.564 0.907 207 HB3 ASP 31 1HB ASP 31 6.123 8.536 -0.456 208 H LYS 32 H LYS 32 5.930 6.689 -3.243 209 HA LYS 32 HA LYS 32 8.772 6.047 -3.528 210 HB2 LYS 32 2HB LYS 32 6.732 5.086 -4.931 211 HB3 LYS 32 1HB LYS 32 6.994 6.544 -5.877 212 HG2 LYS 32 2HG LYS 32 9.310 5.875 -6.275 213 HG3 LYS 32 1HG LYS 32 9.053 4.415 -5.317 214 HD2 LYS 32 2HD LYS 32 7.333 3.684 -6.901 215 HD3 LYS 32 1HD LYS 32 7.594 5.144 -7.858 216 HE2 LYS 32 2HE LYS 32 9.910 4.464 -8.261 217 HE3 LYS 32 1HE LYS 32 9.650 3.007 -7.303 218 HZ1 LYS 32 3HZ LYS 32 9.469 2.554 -9.666 219 HZ2 LYS 32 1HZ LYS 32 8.231 3.696 -9.819 220 HZ3 LYS 32 2HZ LYS 32 7.982 2.296 -8.902 221 H SER 33 H SER 33 10.246 7.416 -4.486 222 HA SER 33 HA SER 33 9.364 10.171 -5.043 223 HB2 SER 33 2HB SER 33 10.497 9.958 -2.809 224 HB3 SER 33 1HB SER 33 11.951 9.432 -3.655 225 HG SER 33 HG SER 33 11.155 11.905 -3.183 226 H SER 34 H SER 34 10.399 11.242 -6.699 227 HA SER 34 HA SER 34 12.323 9.679 -8.291 228 HB2 SER 34 2HB SER 34 11.271 10.711 -10.326 229 HB3 SER 34 1HB SER 34 10.219 9.593 -9.459 230 HG SER 34 HG SER 34 9.144 11.349 -8.565 231 H ALA 35 H ALA 35 14.099 10.711 -8.987 232 HA ALA 35 HA ALA 35 14.263 13.626 -8.598 233 HB1 ALA 35 1HB ALA 35 15.471 12.465 -6.811 234 HB2 ALA 35 2HB ALA 35 16.568 13.377 -7.848 235 HB3 ALA 35 3HB ALA 35 16.446 11.626 -8.017 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -15.848 5.656 -2.792 2 H2 GLY 1 2HT GLY 1 -15.816 5.289 -4.443 3 H3 GLY 1 3HT GLY 1 -14.855 6.542 -3.836 4 HA2 GLY 1 1HA GLY 1 -14.553 3.657 -3.202 5 HA3 GLY 1 2HA GLY 1 -13.521 4.577 -4.286 6 H TRP 2 H TRP 2 -12.809 3.110 -1.876 7 HA TRP 2 HA TRP 2 -12.038 5.214 0.007 8 HB2 TRP 2 2HB TRP 2 -11.844 2.197 0.184 9 HB3 TRP 2 1HB TRP 2 -11.256 3.296 1.425 10 HD1 TRP 2 HD TRP 2 -13.049 4.467 2.988 11 HE1 TRP 2 1HE TRP 2 -15.541 4.012 3.430 12 HE3 TRP 2 3HE TRP 2 -14.048 1.405 -0.996 13 HZ2 TRP 2 2HZ TRP 2 -17.649 2.555 2.255 14 HZ3 TRP 2 3HZ TRP 2 -16.330 0.526 -1.259 15 HH2 TRP 2 HH TRP 2 -18.092 1.090 0.334 16 H CYS 3 H CYS 3 -9.857 5.438 0.731 17 HA CYS 3 HA CYS 3 -7.855 4.572 -1.254 18 HB2 CYS 3 2HB CYS 3 -8.385 7.075 -1.075 19 HB3 CYS 3 1HB CYS 3 -7.590 7.016 0.493 20 H GLY 4 H GLY 4 -5.914 3.761 -0.539 21 HA2 GLY 4 2HA GLY 4 -5.914 2.711 2.176 22 HA3 GLY 4 1HA GLY 4 -4.811 2.273 0.885 23 H ASP 5 H ASP 5 -4.691 3.347 3.811 24 HA ASP 5 HA ASP 5 -3.031 5.709 3.511 25 HB2 ASP 5 2HB ASP 5 -4.016 4.147 5.898 26 HB3 ASP 5 1HB ASP 5 -2.884 5.486 6.052 27 HA HYP 6 HA HYP 6 0.996 3.758 3.577 28 HB2 HYP 6 2HB HYP 6 1.856 5.430 5.869 29 HB3 HYP 6 1HB HYP 6 2.532 5.330 4.231 30 HG HYP 6 2HG HYP 6 1.165 7.480 5.008 31 HD22 HYP 6 1HD HYP 6 -1.178 6.814 3.836 32 HD23 HYP 6 2HD HYP 6 -0.907 6.586 5.576 33 HD1 HYP 6 1HG HYP 6 1.317 7.829 2.912 34 H GLY 7 H GLY 7 1.562 1.847 4.350 35 HA2 GLY 7 2HA GLY 7 2.425 0.541 6.223 36 HA3 GLY 7 1HA GLY 7 1.191 1.285 7.226 37 H ALA 8 H ALA 8 0.065 0.489 4.126 38 HA ALA 8 HA ALA 8 -1.546 -1.687 5.195 39 HB1 ALA 8 1HB ALA 8 -2.615 0.117 3.901 40 HB2 ALA 8 2HB ALA 8 -2.854 -1.467 3.162 41 HB3 ALA 8 3HB ALA 8 -1.665 -0.352 2.490 42 H THR 9 H THR 9 -1.747 -3.731 4.157 43 HA THR 9 HA THR 9 0.773 -4.714 3.076 44 HB THR 9 HB THR 9 -1.563 -6.538 3.461 45 HG1 THR 9 1HG THR 9 -0.297 -5.065 5.495 46 HG21 THR 9 3HG2 THR 9 0.182 -8.041 4.318 47 HG22 THR 9 1HG2 THR 9 1.376 -6.755 4.138 48 HG23 THR 9 2HG2 THR 9 0.589 -7.434 2.713 49 H CYS 10 H CYS 10 1.072 -5.593 1.080 50 HA CYS 10 HA CYS 10 -1.097 -5.211 -0.875 51 HB2 CYS 10 2HB CYS 10 1.893 -5.341 -1.328 52 HB3 CYS 10 1HB CYS 10 0.679 -5.081 -2.577 53 H GLY 11 H GLY 11 -1.527 -6.797 -2.423 54 HA2 GLY 11 2HA GLY 11 -0.262 -9.128 -3.020 55 HA3 GLY 11 1HA GLY 11 -1.100 -9.504 -1.521 56 H LYS 12 H LYS 12 -3.484 -8.582 -1.596 57 HA LYS 12 HA LYS 12 -4.710 -9.775 -3.974 58 HB2 LYS 12 2HB LYS 12 -5.690 -9.244 -1.183 59 HB3 LYS 12 1HB LYS 12 -6.820 -9.579 -2.489 60 HG2 LYS 12 2HG LYS 12 -5.743 -11.724 -2.889 61 HG3 LYS 12 1HG LYS 12 -4.578 -11.387 -1.608 62 HD2 LYS 12 2HD LYS 12 -6.378 -11.325 0.032 63 HD3 LYS 12 1HD LYS 12 -7.565 -11.609 -1.243 64 HE2 LYS 12 2HE LYS 12 -5.300 -13.509 -0.731 65 HE3 LYS 12 1HE LYS 12 -6.818 -13.617 0.159 66 HZ1 LYS 12 3HZ LYS 12 -6.524 -13.781 -2.793 67 HZ2 LYS 12 1HZ LYS 12 -7.986 -13.878 -1.945 68 HZ3 LYS 12 2HZ LYS 12 -6.816 -15.084 -1.755 69 H LEU 13 H LEU 13 -6.486 -8.751 -5.040 70 HA LEU 13 HA LEU 13 -6.229 -5.844 -5.093 71 HB2 LEU 13 2HB LEU 13 -7.551 -7.788 -6.986 72 HB3 LEU 13 1HB LEU 13 -7.625 -6.049 -7.185 73 HG LEU 13 HG LEU 13 -4.984 -6.268 -7.096 74 HD11 LEU 13 1HD1 LEU 13 -4.220 -8.304 -8.214 75 HD12 LEU 13 2HD1 LEU 13 -5.855 -8.961 -8.139 76 HD13 LEU 13 3HD1 LEU 13 -4.956 -8.664 -6.652 77 HD21 LEU 13 3HD2 LEU 13 -6.667 -6.934 -9.507 78 HD22 LEU 13 1HD2 LEU 13 -4.990 -6.392 -9.545 79 HD23 LEU 13 2HD2 LEU 13 -6.249 -5.319 -8.937 80 H ARG 14 H ARG 14 -7.397 -4.989 -3.487 81 HA ARG 14 HA ARG 14 -10.306 -5.251 -3.628 82 HB2 ARG 14 2HB ARG 14 -8.666 -5.704 -1.130 83 HB3 ARG 14 1HB ARG 14 -10.369 -5.274 -1.073 84 HG2 ARG 14 2HG ARG 14 -10.943 -7.296 -2.293 85 HG3 ARG 14 1HG ARG 14 -9.235 -7.719 -2.421 86 HD2 ARG 14 2HD ARG 14 -9.094 -7.838 0.026 87 HD3 ARG 14 1HD ARG 14 -10.809 -7.440 0.138 88 HE ARG 14 HE ARG 14 -10.680 -9.654 -1.481 89 HH11 ARG 14 2HH1 ARG 14 -9.698 -8.941 1.815 90 HH12 ARG 14 1HH1 ARG 14 -9.912 -10.572 2.353 91 HH21 ARG 14 1HH2 ARG 14 -10.953 -11.784 -0.753 92 HH22 ARG 14 2HH2 ARG 14 -10.621 -12.179 0.901 93 H LEU 15 H LEU 15 -7.566 -3.609 -2.064 94 HA LEU 15 HA LEU 15 -8.900 -1.035 -2.502 95 HB2 LEU 15 2HB LEU 15 -9.339 -1.503 -0.192 96 HB3 LEU 15 1HB LEU 15 -7.693 -2.020 0.087 97 HG LEU 15 HG LEU 15 -6.928 0.328 -0.168 98 HD11 LEU 15 1HD1 LEU 15 -8.759 1.126 -1.623 99 HD12 LEU 15 2HD1 LEU 15 -8.493 2.157 -0.218 100 HD13 LEU 15 3HD1 LEU 15 -9.858 1.038 -0.246 101 HD21 LEU 15 3HD2 LEU 15 -9.133 0.087 1.865 102 HD22 LEU 15 1HD2 LEU 15 -7.679 1.079 1.965 103 HD23 LEU 15 2HD2 LEU 15 -7.552 -0.680 2.030 104 H TYR 16 H TYR 16 -7.597 0.570 -3.187 105 HA TYR 16 HA TYR 16 -4.821 -0.119 -3.794 106 HB2 TYR 16 2HB TYR 16 -6.635 2.086 -4.788 107 HB3 TYR 16 1HB TYR 16 -4.931 1.973 -5.215 108 HD1 TYR 16 1HD TYR 16 -8.255 0.511 -5.686 109 HD2 TYR 16 2HD TYR 16 -4.140 0.245 -6.731 110 HE1 TYR 16 1HE TYR 16 -8.832 -0.991 -7.545 111 HE2 TYR 16 2HE TYR 16 -4.704 -1.258 -8.594 112 HH TYR 16 HH TYR 16 -7.878 -1.705 -9.699 113 H CYS 17 H CYS 17 -3.094 1.355 -3.388 114 HA CYS 17 HA CYS 17 -3.394 2.760 -0.858 115 HB2 CYS 17 2HB CYS 17 -0.995 1.929 -2.479 116 HB3 CYS 17 1HB CYS 17 -0.861 2.961 -1.058 117 H CYS 18 H CYS 18 -3.111 4.893 -0.522 118 HA CYS 18 HA CYS 18 -3.778 6.743 -2.484 119 HB2 CYS 18 2HB CYS 18 -2.382 7.172 0.157 120 HB3 CYS 18 1HB CYS 18 -3.060 8.462 -0.829 121 H SER 19 H SER 19 -0.613 5.521 -1.640 122 HA SER 19 HA SER 19 0.777 7.632 -3.095 123 HB2 SER 19 2HB SER 19 1.849 5.198 -1.651 124 HB3 SER 19 1HB SER 19 2.834 6.472 -2.369 125 HG SER 19 HG SER 19 2.041 7.912 -0.882 126 H GLY 20 H GLY 20 -0.209 4.302 -3.517 127 HA2 GLY 20 2HA GLY 20 -0.378 3.056 -5.454 128 HA3 GLY 20 1HA GLY 20 0.289 4.412 -6.342 129 H PHE 21 H PHE 21 1.913 2.857 -3.620 130 HA PHE 21 HA PHE 21 3.751 1.506 -5.460 131 HB2 PHE 21 2HB PHE 21 4.883 3.579 -5.010 132 HB3 PHE 21 1HB PHE 21 4.560 3.455 -3.290 133 HD1 PHE 21 1HD PHE 21 6.072 1.057 -5.765 134 HD2 PHE 21 2HD PHE 21 6.543 3.269 -2.153 135 HE1 PHE 21 1HE PHE 21 8.265 0.002 -5.400 136 HE2 PHE 21 2HE PHE 21 8.734 2.216 -1.796 137 HZ PHE 21 HZ PHE 21 9.591 0.586 -3.410 138 H CYS 22 H CYS 22 3.954 -0.526 -4.946 139 HA CYS 22 HA CYS 22 3.581 -1.370 -2.152 140 HB2 CYS 22 2HB CYS 22 2.822 -2.676 -4.745 141 HB3 CYS 22 1HB CYS 22 3.087 -3.653 -3.305 142 H ASP 23 H ASP 23 5.372 -1.962 -1.179 143 HA ASP 23 HA ASP 23 7.725 -2.729 -2.707 144 HB2 ASP 23 2HB ASP 23 7.281 -1.397 -0.245 145 HB3 ASP 23 1HB ASP 23 8.145 -2.886 0.130 146 H SER 24 H SER 24 8.332 -4.742 -3.043 147 HA SER 24 HA SER 24 6.838 -6.948 -1.920 148 HB2 SER 24 2HB SER 24 9.108 -6.907 -3.921 149 HB3 SER 24 1HB SER 24 8.155 -8.328 -3.494 150 HG SER 24 HG SER 24 6.728 -6.082 -4.272 151 H TYR 25 H TYR 25 9.565 -5.272 -0.933 152 HA TYR 25 HA TYR 25 11.176 -7.423 0.053 153 HB2 TYR 25 2HB TYR 25 11.791 -4.916 -0.441 154 HB3 TYR 25 1HB TYR 25 11.273 -4.663 1.220 155 HD1 TYR 25 1HD TYR 25 12.554 -5.584 3.078 156 HD2 TYR 25 2HD TYR 25 13.814 -6.163 -0.944 157 HE1 TYR 25 1HE TYR 25 14.769 -6.291 3.879 158 HE2 TYR 25 2HE TYR 25 16.032 -6.872 -0.154 159 HH TYR 25 HH TYR 25 17.456 -6.593 1.831 160 H THR 26 H THR 26 8.430 -5.685 1.234 161 HA THR 26 HA THR 26 8.405 -7.319 3.668 162 HB THR 26 HB THR 26 7.515 -5.311 4.940 163 HG1 THR 26 1HG THR 26 7.351 -4.115 2.781 164 HG21 THR 26 3HG2 THR 26 9.744 -4.400 5.422 165 HG22 THR 26 1HG2 THR 26 10.375 -5.180 3.970 166 HG23 THR 26 2HG2 THR 26 9.777 -6.160 5.310 167 H LYS 27 H LYS 27 6.886 -6.484 0.909 168 HA LYS 27 HA LYS 27 4.797 -6.611 0.040 169 HB2 LYS 27 2HB LYS 27 4.430 -8.361 2.473 170 HB3 LYS 27 1HB LYS 27 3.153 -8.126 1.289 171 HG2 LYS 27 2HG LYS 27 4.624 -9.024 -0.459 172 HG3 LYS 27 1HG LYS 27 5.879 -9.290 0.753 173 HD2 LYS 27 2HD LYS 27 4.403 -10.822 1.954 174 HD3 LYS 27 1HD LYS 27 3.134 -10.544 0.759 175 HE2 LYS 27 2HE LYS 27 4.587 -11.463 -0.987 176 HE3 LYS 27 1HE LYS 27 5.844 -11.752 0.215 177 HZ1 LYS 27 3HZ LYS 27 3.146 -12.995 0.203 178 HZ2 LYS 27 1HZ LYS 27 4.355 -13.277 1.353 179 HZ3 LYS 27 2HZ LYS 27 4.585 -13.758 -0.252 180 H THR 28 H THR 28 5.249 -4.247 1.214 181 HA THR 28 HA THR 28 2.593 -3.477 2.202 182 HB THR 28 HB THR 28 3.719 -1.883 3.841 183 HG1 THR 28 1HG THR 28 5.809 -2.597 4.551 184 HG21 THR 28 3HG2 THR 28 3.904 -3.582 5.604 185 HG22 THR 28 1HG2 THR 28 3.922 -4.850 4.377 186 HG23 THR 28 2HG2 THR 28 2.484 -3.852 4.592 187 H CYS 29 H CYS 29 2.135 -1.211 2.029 188 HA CYS 29 HA CYS 29 3.210 -0.084 -0.392 189 HB2 CYS 29 2HB CYS 29 0.959 0.602 1.454 190 HB3 CYS 29 1HB CYS 29 1.515 1.782 0.277 191 H LYS 30 H LYS 30 4.582 1.540 -0.634 192 HA LYS 30 HA LYS 30 5.404 3.101 1.726 193 HB2 LYS 30 2HB LYS 30 7.187 1.736 -0.293 194 HB3 LYS 30 1HB LYS 30 7.763 3.001 0.780 195 HG2 LYS 30 2HG LYS 30 6.916 1.507 2.682 196 HG3 LYS 30 1HG LYS 30 6.832 0.236 1.459 197 HD2 LYS 30 2HD LYS 30 9.203 0.544 0.966 198 HD3 LYS 30 1HD LYS 30 9.294 1.830 2.171 199 HE2 LYS 30 2HE LYS 30 8.679 0.231 3.918 200 HE3 LYS 30 1HE LYS 30 8.586 -1.053 2.714 201 HZ1 LYS 30 3HZ LYS 30 10.941 -0.737 2.256 202 HZ2 LYS 30 1HZ LYS 30 10.690 -1.102 3.889 203 HZ3 LYS 30 2HZ LYS 30 11.026 0.488 3.420 204 H ASP 31 H ASP 31 6.681 5.081 1.092 205 HA ASP 31 HA ASP 31 5.346 6.430 -1.115 206 HB2 ASP 31 2HB ASP 31 7.133 7.416 1.113 207 HB3 ASP 31 1HB ASP 31 6.557 8.459 -0.183 208 H LYS 32 H LYS 32 6.342 7.235 -2.924 209 HA LYS 32 HA LYS 32 8.970 6.139 -3.550 210 HB2 LYS 32 2HB LYS 32 6.726 7.294 -5.158 211 HB3 LYS 32 1HB LYS 32 8.342 7.250 -5.848 212 HG2 LYS 32 2HG LYS 32 8.417 4.829 -5.514 213 HG3 LYS 32 1HG LYS 32 6.788 4.878 -4.838 214 HD2 LYS 32 2HD LYS 32 5.874 5.619 -6.925 215 HD3 LYS 32 1HD LYS 32 7.484 5.835 -7.611 216 HE2 LYS 32 2HE LYS 32 6.463 3.170 -6.660 217 HE3 LYS 32 1HE LYS 32 6.223 3.747 -8.308 218 HZ1 LYS 32 3HZ LYS 32 8.622 3.905 -8.563 219 HZ2 LYS 32 1HZ LYS 32 8.169 2.329 -8.143 220 HZ3 LYS 32 2HZ LYS 32 8.852 3.351 -6.981 221 H SER 33 H SER 33 10.703 7.371 -4.334 222 HA SER 33 HA SER 33 10.746 10.132 -3.353 223 HB2 SER 33 2HB SER 33 12.472 8.498 -2.544 224 HB3 SER 33 1HB SER 33 13.091 8.411 -4.193 225 HG SER 33 HG SER 33 14.183 9.942 -2.793 226 H SER 34 H SER 34 11.506 8.204 -6.236 227 HA SER 34 HA SER 34 11.599 10.692 -7.817 228 HB2 SER 34 2HB SER 34 12.952 8.041 -8.380 229 HB3 SER 34 1HB SER 34 13.003 9.454 -9.434 230 HG SER 34 HG SER 34 14.770 9.766 -8.278 231 H ALA 35 H ALA 35 10.463 10.803 -9.732 232 HA ALA 35 HA ALA 35 8.503 8.650 -10.190 233 HB1 ALA 35 1HB ALA 35 8.172 11.599 -10.734 234 HB2 ALA 35 2HB ALA 35 7.480 10.721 -9.371 235 HB3 ALA 35 3HB ALA 35 6.962 10.346 -11.014 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -15.075 1.883 -3.883 2 H2 GLY 1 2HT GLY 1 -15.247 2.829 -2.491 3 H3 GLY 1 3HT GLY 1 -14.183 1.514 -2.493 4 HA2 GLY 1 1HA GLY 1 -12.797 2.602 -4.152 5 HA3 GLY 1 2HA GLY 1 -13.898 3.972 -4.133 6 H TRP 2 H TRP 2 -12.061 1.976 -1.823 7 HA TRP 2 HA TRP 2 -11.593 4.337 -0.159 8 HB2 TRP 2 2HB TRP 2 -11.193 1.382 0.325 9 HB3 TRP 2 1HB TRP 2 -10.606 2.613 1.439 10 HD1 TRP 2 HD TRP 2 -12.431 3.959 2.859 11 HE1 TRP 2 1HE TRP 2 -14.880 3.438 3.448 12 HE3 TRP 2 3HE TRP 2 -13.348 0.290 -0.597 13 HZ2 TRP 2 2HZ TRP 2 -16.927 1.709 2.571 14 HZ3 TRP 2 3HZ TRP 2 -15.580 -0.742 -0.650 15 HH2 TRP 2 HH TRP 2 -17.331 -0.047 0.903 16 H CYS 3 H CYS 3 -9.516 4.954 0.527 17 HA CYS 3 HA CYS 3 -7.349 4.150 -1.296 18 HB2 CYS 3 2HB CYS 3 -8.318 6.695 -0.644 19 HB3 CYS 3 1HB CYS 3 -6.807 6.548 0.242 20 H GLY 4 H GLY 4 -5.504 3.310 -0.496 21 HA2 GLY 4 2HA GLY 4 -5.445 2.666 2.349 22 HA3 GLY 4 1HA GLY 4 -4.421 1.971 1.103 23 H ASP 5 H ASP 5 -4.001 3.354 3.803 24 HA ASP 5 HA ASP 5 -2.276 5.590 3.061 25 HB2 ASP 5 2HB ASP 5 -3.290 4.511 5.686 26 HB3 ASP 5 1HB ASP 5 -2.008 5.715 5.623 27 HA HYP 6 HA HYP 6 1.647 3.466 3.162 28 HB2 HYP 6 2HB HYP 6 3.081 5.117 4.924 29 HB3 HYP 6 1HB HYP 6 2.947 5.341 3.170 30 HG HYP 6 2HG HYP 6 1.471 6.706 5.364 31 HD22 HYP 6 1HD HYP 6 0.210 6.444 2.650 32 HD23 HYP 6 2HD HYP 6 -0.560 6.716 4.227 33 HD1 HYP 6 1HG HYP 6 2.012 7.450 2.648 34 H GLY 7 H GLY 7 2.363 1.737 4.215 35 HA2 GLY 7 2HA GLY 7 3.208 0.618 6.159 36 HA3 GLY 7 1HA GLY 7 2.159 1.620 7.149 37 H ALA 8 H ALA 8 0.508 0.590 4.432 38 HA ALA 8 HA ALA 8 -0.930 -1.451 5.966 39 HB1 ALA 8 1HB ALA 8 -1.706 -0.032 3.417 40 HB2 ALA 8 2HB ALA 8 -2.240 0.400 5.041 41 HB3 ALA 8 3HB ALA 8 -2.721 -1.143 4.337 42 H THR 9 H THR 9 -1.510 -3.466 5.005 43 HA THR 9 HA THR 9 0.587 -4.649 3.438 44 HB THR 9 HB THR 9 -1.969 -6.123 3.921 45 HG1 THR 9 1HG THR 9 -1.083 -4.769 5.868 46 HG21 THR 9 3HG2 THR 9 -0.421 -7.961 4.429 47 HG22 THR 9 1HG2 THR 9 0.946 -6.864 4.234 48 HG23 THR 9 2HG2 THR 9 -0.077 -7.254 2.850 49 H CYS 10 H CYS 10 0.711 -4.712 1.305 50 HA CYS 10 HA CYS 10 -1.660 -4.109 -0.310 51 HB2 CYS 10 2HB CYS 10 0.398 -2.751 -0.639 52 HB3 CYS 10 1HB CYS 10 1.248 -4.207 -1.146 53 H GLY 11 H GLY 11 -2.663 -5.598 -1.475 54 HA2 GLY 11 2HA GLY 11 -1.401 -8.249 -1.761 55 HA3 GLY 11 1HA GLY 11 -3.134 -7.956 -1.724 56 H LYS 12 H LYS 12 -4.051 -8.285 -3.622 57 HA LYS 12 HA LYS 12 -2.666 -7.360 -6.048 58 HB2 LYS 12 2HB LYS 12 -4.047 -10.003 -5.602 59 HB3 LYS 12 1HB LYS 12 -3.781 -9.354 -7.213 60 HG2 LYS 12 2HG LYS 12 -1.365 -9.321 -6.790 61 HG3 LYS 12 1HG LYS 12 -1.647 -10.004 -5.187 62 HD2 LYS 12 2HD LYS 12 -2.634 -11.994 -6.204 63 HD3 LYS 12 1HD LYS 12 -2.378 -11.307 -7.810 64 HE2 LYS 12 2HE LYS 12 0.039 -11.291 -7.411 65 HE3 LYS 12 1HE LYS 12 -0.223 -11.984 -5.810 66 HZ1 LYS 12 3HZ LYS 12 -0.921 -13.278 -8.392 67 HZ2 LYS 12 1HZ LYS 12 -1.179 -13.943 -6.858 68 HZ3 LYS 12 2HZ LYS 12 0.397 -13.678 -7.411 69 H LEU 13 H LEU 13 -5.836 -8.473 -4.808 70 HA LEU 13 HA LEU 13 -7.101 -6.171 -6.086 71 HB2 LEU 13 2HB LEU 13 -7.959 -9.033 -6.542 72 HB3 LEU 13 1HB LEU 13 -8.962 -7.649 -6.923 73 HG LEU 13 HG LEU 13 -6.233 -7.805 -8.129 74 HD11 LEU 13 1HD1 LEU 13 -7.125 -9.110 -10.001 75 HD12 LEU 13 2HD1 LEU 13 -8.635 -9.336 -9.118 76 HD13 LEU 13 3HD1 LEU 13 -7.137 -10.031 -8.496 77 HD21 LEU 13 3HD2 LEU 13 -7.363 -6.669 -9.979 78 HD22 LEU 13 1HD2 LEU 13 -7.594 -5.803 -8.459 79 HD23 LEU 13 2HD2 LEU 13 -8.898 -6.790 -9.119 80 H ARG 14 H ARG 14 -7.104 -5.523 -3.832 81 HA ARG 14 HA ARG 14 -9.548 -6.382 -2.489 82 HB2 ARG 14 2HB ARG 14 -6.811 -6.449 -1.215 83 HB3 ARG 14 1HB ARG 14 -8.280 -6.318 -0.258 84 HG2 ARG 14 2HG ARG 14 -9.068 -8.442 -1.141 85 HG3 ARG 14 1HG ARG 14 -7.628 -8.568 -2.152 86 HD2 ARG 14 2HD ARG 14 -6.229 -8.587 -0.135 87 HD3 ARG 14 1HD ARG 14 -7.678 -8.486 0.864 88 HE ARG 14 HE ARG 14 -8.030 -10.697 -0.740 89 HH11 ARG 14 2HH1 ARG 14 -5.675 -9.717 1.674 90 HH12 ARG 14 1HH1 ARG 14 -5.323 -11.342 2.156 91 HH21 ARG 14 1HH2 ARG 14 -7.552 -12.816 -0.093 92 HH22 ARG 14 2HH2 ARG 14 -6.385 -13.095 1.156 93 H LEU 15 H LEU 15 -6.722 -4.237 -2.030 94 HA LEU 15 HA LEU 15 -8.433 -1.892 -2.073 95 HB2 LEU 15 2HB LEU 15 -8.561 -2.394 0.266 96 HB3 LEU 15 1HB LEU 15 -6.847 -2.720 0.362 97 HG LEU 15 HG LEU 15 -6.337 -0.342 0.166 98 HD11 LEU 15 1HD1 LEU 15 -8.170 0.344 -1.304 99 HD12 LEU 15 2HD1 LEU 15 -8.073 1.360 0.135 100 HD13 LEU 15 3HD1 LEU 15 -9.314 0.111 0.018 101 HD21 LEU 15 3HD2 LEU 15 -7.115 0.368 2.286 102 HD22 LEU 15 1HD2 LEU 15 -6.933 -1.384 2.374 103 HD23 LEU 15 2HD2 LEU 15 -8.538 -0.669 2.189 104 H TYR 16 H TYR 16 -7.438 -0.148 -2.892 105 HA TYR 16 HA TYR 16 -4.642 -0.447 -3.716 106 HB2 TYR 16 2HB TYR 16 -6.647 0.145 -5.298 107 HB3 TYR 16 1HB TYR 16 -6.445 1.768 -4.646 108 HD1 TYR 16 1HD TYR 16 -4.945 -0.847 -6.732 109 HD2 TYR 16 2HD TYR 16 -4.486 3.094 -5.195 110 HE1 TYR 16 1HE TYR 16 -3.156 -0.425 -8.365 111 HE2 TYR 16 2HE TYR 16 -2.695 3.527 -6.824 112 HH TYR 16 HH TYR 16 -2.083 1.493 -9.468 113 H CYS 17 H CYS 17 -3.080 1.062 -3.240 114 HA CYS 17 HA CYS 17 -3.608 2.733 -0.914 115 HB2 CYS 17 2HB CYS 17 -1.057 1.862 -2.267 116 HB3 CYS 17 1HB CYS 17 -1.091 3.002 -0.925 117 H CYS 18 H CYS 18 -3.436 4.906 -0.826 118 HA CYS 18 HA CYS 18 -3.947 6.442 -3.111 119 HB2 CYS 18 2HB CYS 18 -3.728 6.876 -0.282 120 HB3 CYS 18 1HB CYS 18 -2.942 8.190 -1.152 121 H SER 19 H SER 19 -0.926 5.399 -1.820 122 HA SER 19 HA SER 19 0.633 7.507 -3.075 123 HB2 SER 19 2HB SER 19 1.507 5.021 -1.586 124 HB3 SER 19 1HB SER 19 2.581 6.302 -2.146 125 HG SER 19 HG SER 19 0.392 6.806 -0.429 126 H GLY 20 H GLY 20 -0.328 4.207 -3.723 127 HA2 GLY 20 2HA GLY 20 -0.331 3.133 -5.791 128 HA3 GLY 20 1HA GLY 20 0.677 4.416 -6.436 129 H PHE 21 H PHE 21 2.368 3.723 -3.821 130 HA PHE 21 HA PHE 21 4.072 1.815 -5.236 131 HB2 PHE 21 2HB PHE 21 5.143 3.879 -4.486 132 HB3 PHE 21 1HB PHE 21 4.630 3.579 -2.832 133 HD1 PHE 21 2HD PHE 21 5.614 1.625 -1.595 134 HD2 PHE 21 1HD PHE 21 7.164 2.979 -5.320 135 HE1 PHE 21 2HE PHE 21 7.712 0.429 -1.148 136 HE2 PHE 21 1HE PHE 21 9.273 1.784 -4.869 137 HZ PHE 21 HZ PHE 21 9.536 0.510 -2.771 138 H CYS 22 H CYS 22 3.914 -0.243 -4.797 139 HA CYS 22 HA CYS 22 3.203 -1.112 -2.077 140 HB2 CYS 22 2HB CYS 22 2.569 -2.313 -4.763 141 HB3 CYS 22 1HB CYS 22 2.529 -3.286 -3.297 142 H ASP 23 H ASP 23 4.956 -1.753 -1.012 143 HA ASP 23 HA ASP 23 7.308 -2.744 -2.371 144 HB2 ASP 23 2HB ASP 23 6.787 -1.499 0.116 145 HB3 ASP 23 1HB ASP 23 7.460 -3.083 0.481 146 H SER 24 H SER 24 7.653 -4.777 -2.877 147 HA SER 24 HA SER 24 5.968 -6.897 -1.842 148 HB2 SER 24 2HB SER 24 8.155 -6.950 -3.932 149 HB3 SER 24 1HB SER 24 7.077 -8.292 -3.552 150 HG SER 24 HG SER 24 5.363 -6.611 -4.030 151 H TYR 25 H TYR 25 8.886 -5.543 -0.902 152 HA TYR 25 HA TYR 25 10.265 -7.927 -0.063 153 HB2 TYR 25 2HB TYR 25 11.219 -5.548 -0.618 154 HB3 TYR 25 1HB TYR 25 10.840 -5.207 1.065 155 HD1 TYR 25 2HD TYR 25 12.996 -7.101 -1.209 156 HD2 TYR 25 1HD TYR 25 12.084 -6.273 2.863 157 HE1 TYR 25 2HE TYR 25 15.128 -8.121 -0.530 158 HE2 TYR 25 1HE TYR 25 14.212 -7.290 3.554 159 HH TYR 25 HH TYR 25 16.694 -8.030 1.358 160 H THR 26 H THR 26 7.827 -5.888 1.253 161 HA THR 26 HA THR 26 7.806 -7.452 3.733 162 HB THR 26 HB THR 26 7.174 -5.340 4.989 163 HG1 THR 26 1HG THR 26 7.977 -3.385 3.983 164 HG21 THR 26 3HG2 THR 26 9.500 -4.616 5.304 165 HG22 THR 26 1HG2 THR 26 9.967 -5.492 3.846 166 HG23 THR 26 2HG2 THR 26 9.373 -6.374 5.253 167 H LYS 27 H LYS 27 6.189 -6.555 1.045 168 HA LYS 27 HA LYS 27 4.042 -6.533 0.313 169 HB2 LYS 27 2HB LYS 27 3.680 -8.160 2.832 170 HB3 LYS 27 1HB LYS 27 2.362 -7.862 1.709 171 HG2 LYS 27 2HG LYS 27 3.624 -8.960 -0.071 172 HG3 LYS 27 1HG LYS 27 4.955 -9.249 1.052 173 HD2 LYS 27 2HD LYS 27 3.467 -10.609 2.451 174 HD3 LYS 27 1HD LYS 27 2.147 -10.326 1.315 175 HE2 LYS 27 2HE LYS 27 3.434 -11.434 -0.450 176 HE3 LYS 27 1HE LYS 27 4.749 -11.719 0.690 177 HZ1 LYS 27 3HZ LYS 27 3.356 -13.677 0.429 178 HZ2 LYS 27 1HZ LYS 27 1.993 -12.805 0.926 179 HZ3 LYS 27 2HZ LYS 27 3.259 -13.086 2.012 180 H THR 28 H THR 28 4.830 -4.197 1.497 181 HA THR 28 HA THR 28 2.294 -3.176 2.580 182 HB THR 28 HB THR 28 3.637 -1.664 4.120 183 HG1 THR 28 1HG THR 28 5.729 -2.006 4.335 184 HG21 THR 28 3HG2 THR 28 3.659 -4.632 4.684 185 HG22 THR 28 1HG2 THR 28 2.316 -3.528 4.981 186 HG23 THR 28 2HG2 THR 28 3.817 -3.357 5.893 187 H CYS 29 H CYS 29 1.941 -0.942 2.297 188 HA CYS 29 HA CYS 29 3.100 0.078 -0.146 189 HB2 CYS 29 2HB CYS 29 0.835 0.987 1.614 190 HB3 CYS 29 1HB CYS 29 1.392 1.924 0.236 191 H LYS 30 H LYS 30 4.363 1.833 -0.401 192 HA LYS 30 HA LYS 30 5.111 3.422 1.959 193 HB2 LYS 30 2HB LYS 30 7.052 2.030 0.105 194 HB3 LYS 30 1HB LYS 30 7.526 3.295 1.216 195 HG2 LYS 30 2HG LYS 30 6.630 1.848 3.073 196 HG3 LYS 30 1HG LYS 30 6.471 0.561 1.876 197 HD2 LYS 30 2HD LYS 30 8.865 0.704 1.399 198 HD3 LYS 30 1HD LYS 30 9.027 1.998 2.589 199 HE2 LYS 30 2HE LYS 30 8.282 0.464 4.348 200 HE3 LYS 30 1HE LYS 30 8.128 -0.826 3.157 201 HZ1 LYS 30 3HZ LYS 30 10.650 0.569 3.875 202 HZ2 LYS 30 1HZ LYS 30 10.502 -0.673 2.736 203 HZ3 LYS 30 2HZ LYS 30 10.209 -0.985 4.373 204 H ASP 31 H ASP 31 6.733 5.249 1.132 205 HA ASP 31 HA ASP 31 5.324 6.657 -0.987 206 HB2 ASP 31 2HB ASP 31 7.458 7.503 0.977 207 HB3 ASP 31 1HB ASP 31 6.866 8.558 -0.302 208 H LYS 32 H LYS 32 6.256 7.414 -2.881 209 HA LYS 32 HA LYS 32 8.552 5.885 -3.821 210 HB2 LYS 32 2HB LYS 32 6.260 6.366 -5.052 211 HB3 LYS 32 1HB LYS 32 7.082 7.838 -5.547 212 HG2 LYS 32 2HG LYS 32 8.870 6.504 -6.551 213 HG3 LYS 32 1HG LYS 32 8.042 5.027 -6.055 214 HD2 LYS 32 2HD LYS 32 6.115 5.648 -7.436 215 HD3 LYS 32 1HD LYS 32 6.951 7.120 -7.935 216 HE2 LYS 32 2HE LYS 32 8.721 5.767 -8.949 217 HE3 LYS 32 1HE LYS 32 7.887 4.298 -8.446 218 HZ1 LYS 32 3HZ LYS 32 6.822 6.336 -10.328 219 HZ2 LYS 32 1HZ LYS 32 6.017 4.927 -9.844 220 HZ3 LYS 32 2HZ LYS 32 7.436 4.819 -10.758 221 H SER 33 H SER 33 7.599 9.264 -3.334 222 HA SER 33 HA SER 33 10.268 10.183 -4.114 223 HB2 SER 33 2HB SER 33 7.758 11.750 -3.466 224 HB3 SER 33 1HB SER 33 9.286 12.450 -4.000 225 HG SER 33 HG SER 33 8.641 12.070 -5.950 226 H SER 34 H SER 34 11.754 10.802 -2.692 227 HA SER 34 HA SER 34 10.954 11.283 0.101 228 HB2 SER 34 2HB SER 34 12.012 9.025 -0.221 229 HB3 SER 34 1HB SER 34 13.478 9.847 -0.752 230 HG SER 34 HG SER 34 13.895 9.742 1.325 231 H ALA 35 H ALA 35 12.126 12.825 1.236 232 HA ALA 35 HA ALA 35 13.658 14.681 -0.439 233 HB1 ALA 35 1HB ALA 35 13.178 16.359 1.262 234 HB2 ALA 35 2HB ALA 35 12.383 15.140 2.256 235 HB3 ALA 35 3HB ALA 35 11.692 15.594 0.699 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -13.103 6.098 -5.687 2 H2 GLY 1 2HT GLY 1 -13.568 4.733 -6.570 3 H3 GLY 1 3HT GLY 1 -11.970 4.892 -6.040 4 HA2 GLY 1 1HA GLY 1 -14.352 4.564 -4.299 5 HA3 GLY 1 2HA GLY 1 -13.177 3.311 -4.667 6 H TRP 2 H TRP 2 -12.744 3.069 -2.440 7 HA TRP 2 HA TRP 2 -11.462 5.313 -1.065 8 HB2 TRP 2 2HB TRP 2 -12.381 2.602 -0.092 9 HB3 TRP 2 1HB TRP 2 -11.500 3.745 0.915 10 HD1 TRP 2 HD TRP 2 -14.909 3.241 -0.761 11 HE1 TRP 2 1HE TRP 2 -16.616 4.816 0.345 12 HE3 TRP 2 3HE TRP 2 -11.730 5.950 2.206 13 HZ2 TRP 2 2HZ TRP 2 -16.621 6.921 2.221 14 HZ3 TRP 2 3HZ TRP 2 -12.674 7.725 3.624 15 HH2 TRP 2 HH TRP 2 -15.068 8.200 3.629 16 H CYS 3 H CYS 3 -9.359 5.316 -0.399 17 HA CYS 3 HA CYS 3 -7.670 3.087 -1.325 18 HB2 CYS 3 2HB CYS 3 -5.875 4.717 -1.721 19 HB3 CYS 3 1HB CYS 3 -7.299 5.083 -2.686 20 H GLY 4 H GLY 4 -5.827 2.564 -0.068 21 HA2 GLY 4 2HA GLY 4 -6.262 2.942 2.780 22 HA3 GLY 4 1HA GLY 4 -5.111 1.847 2.036 23 H ASP 5 H ASP 5 -4.547 3.446 4.259 24 HA ASP 5 HA ASP 5 -2.988 5.734 3.382 25 HB2 ASP 5 2HB ASP 5 -3.596 4.521 6.078 26 HB3 ASP 5 1HB ASP 5 -2.445 5.837 5.890 27 HA HYP 6 HA HYP 6 1.081 3.890 3.042 28 HB2 HYP 6 2HB HYP 6 2.085 5.681 5.206 29 HB3 HYP 6 1HB HYP 6 2.695 5.454 3.555 30 HG HYP 6 2HG HYP 6 1.364 7.657 4.187 31 HD22 HYP 6 1HD HYP 6 -1.052 6.862 3.228 32 HD23 HYP 6 2HD HYP 6 -0.673 6.865 4.962 33 HD1 HYP 6 1HG HYP 6 0.277 6.655 1.865 34 H GLY 7 H GLY 7 1.653 1.975 3.763 35 HA2 GLY 7 2HA GLY 7 2.733 0.651 5.496 36 HA3 GLY 7 1HA GLY 7 1.714 1.467 6.673 37 H ALA 8 H ALA 8 0.065 0.703 3.817 38 HA ALA 8 HA ALA 8 -1.409 -1.433 5.155 39 HB1 ALA 8 1HB ALA 8 -3.095 -1.089 3.426 40 HB2 ALA 8 2HB ALA 8 -2.033 0.053 2.604 41 HB3 ALA 8 3HB ALA 8 -2.673 0.439 4.201 42 H THR 9 H THR 9 -1.921 -3.414 4.094 43 HA THR 9 HA THR 9 0.287 -4.578 2.684 44 HB THR 9 HB THR 9 -2.329 -6.014 2.873 45 HG1 THR 9 1HG THR 9 -2.410 -5.465 4.936 46 HG21 THR 9 3HG2 THR 9 0.529 -6.827 3.433 47 HG22 THR 9 1HG2 THR 9 -0.369 -7.156 1.951 48 HG23 THR 9 2HG2 THR 9 -0.871 -7.899 3.468 49 H CYS 10 H CYS 10 0.604 -4.692 0.567 50 HA CYS 10 HA CYS 10 -1.542 -3.904 -1.264 51 HB2 CYS 10 2HB CYS 10 1.438 -4.206 -1.691 52 HB3 CYS 10 1HB CYS 10 0.298 -3.732 -2.945 53 H GLY 11 H GLY 11 -2.357 -5.197 -2.837 54 HA2 GLY 11 2HA GLY 11 -1.178 -7.602 -3.759 55 HA3 GLY 11 1HA GLY 11 -2.377 -7.966 -2.526 56 H LYS 12 H LYS 12 -3.660 -9.070 -4.032 57 HA LYS 12 HA LYS 12 -4.886 -7.457 -6.159 58 HB2 LYS 12 2HB LYS 12 -4.721 -10.434 -5.713 59 HB3 LYS 12 1HB LYS 12 -5.803 -9.723 -6.901 60 HG2 LYS 12 2HG LYS 12 -3.895 -8.731 -8.055 61 HG3 LYS 12 1HG LYS 12 -2.805 -9.426 -6.856 62 HD2 LYS 12 2HD LYS 12 -3.525 -11.675 -7.511 63 HD3 LYS 12 1HD LYS 12 -4.611 -10.974 -8.713 64 HE2 LYS 12 2HE LYS 12 -2.692 -9.987 -9.865 65 HE3 LYS 12 1HE LYS 12 -1.608 -10.685 -8.662 66 HZ1 LYS 12 3HZ LYS 12 -2.314 -12.888 -9.359 67 HZ2 LYS 12 1HZ LYS 12 -1.687 -12.024 -10.671 68 HZ3 LYS 12 2HZ LYS 12 -3.359 -12.220 -10.508 69 H LEU 13 H LEU 13 -5.687 -9.485 -3.370 70 HA LEU 13 HA LEU 13 -8.520 -8.809 -3.590 71 HB2 LEU 13 2HB LEU 13 -7.019 -10.672 -1.752 72 HB3 LEU 13 1HB LEU 13 -8.742 -10.375 -1.631 73 HG LEU 13 HG LEU 13 -7.642 -11.327 -4.241 74 HD11 LEU 13 1HD1 LEU 13 -7.870 -13.651 -3.502 75 HD12 LEU 13 2HD1 LEU 13 -8.159 -13.095 -1.854 76 HD13 LEU 13 3HD1 LEU 13 -6.597 -12.806 -2.621 77 HD21 LEU 13 3HD2 LEU 13 -10.212 -11.843 -2.742 78 HD22 LEU 13 1HD2 LEU 13 -9.822 -12.439 -4.355 79 HD23 LEU 13 2HD2 LEU 13 -9.997 -10.706 -4.073 80 H ARG 14 H ARG 14 -5.865 -7.370 -2.307 81 HA ARG 14 HA ARG 14 -7.082 -6.435 0.172 82 HB2 ARG 14 2HB ARG 14 -4.357 -6.060 -1.073 83 HB3 ARG 14 1HB ARG 14 -4.860 -5.166 0.354 84 HG2 ARG 14 2HG ARG 14 -5.013 -8.155 0.325 85 HG3 ARG 14 1HG ARG 14 -3.475 -7.345 0.620 86 HD2 ARG 14 2HD ARG 14 -4.419 -7.784 2.747 87 HD3 ARG 14 1HD ARG 14 -4.639 -6.060 2.458 88 HE ARG 14 HE ARG 14 -6.920 -7.507 1.607 89 HH11 ARG 14 1HH1 ARG 14 -5.352 -6.400 4.549 90 HH12 ARG 14 2HH1 ARG 14 -6.829 -6.351 5.452 91 HH21 ARG 14 1HH2 ARG 14 -8.839 -7.430 2.808 92 HH22 ARG 14 2HH2 ARG 14 -8.801 -6.934 4.466 93 H LEU 15 H LEU 15 -6.669 -3.968 0.602 94 HA LEU 15 HA LEU 15 -8.301 -2.500 -1.223 95 HB2 LEU 15 2HB LEU 15 -7.859 -2.296 1.401 96 HB3 LEU 15 1HB LEU 15 -6.682 -1.117 0.865 97 HG LEU 15 HG LEU 15 -9.529 -0.906 -0.066 98 HD11 LEU 15 1HD1 LEU 15 -8.448 0.150 2.544 99 HD12 LEU 15 2HD1 LEU 15 -9.636 -1.144 2.368 100 HD13 LEU 15 3HD1 LEU 15 -10.037 0.496 1.857 101 HD21 LEU 15 3HD2 LEU 15 -8.993 1.470 -0.149 102 HD22 LEU 15 1HD2 LEU 15 -7.831 0.537 -1.091 103 HD23 LEU 15 2HD2 LEU 15 -7.388 1.143 0.503 104 H TYR 16 H TYR 16 -7.758 -0.619 -2.415 105 HA TYR 16 HA TYR 16 -5.262 -0.742 -3.793 106 HB2 TYR 16 2HB TYR 16 -7.610 0.052 -4.621 107 HB3 TYR 16 1HB TYR 16 -7.122 1.609 -3.964 108 HD1 TYR 16 1HD TYR 16 -6.510 -0.879 -6.583 109 HD2 TYR 16 2HD TYR 16 -5.349 2.900 -5.012 110 HE1 TYR 16 1HE TYR 16 -5.297 -0.393 -8.666 111 HE2 TYR 16 2HE TYR 16 -4.132 3.398 -7.091 112 HH TYR 16 HH TYR 16 -4.505 1.566 -9.922 113 H CYS 17 H CYS 17 -3.642 0.866 -3.928 114 HA CYS 17 HA CYS 17 -3.189 2.269 -1.404 115 HB2 CYS 17 2HB CYS 17 -1.488 1.036 -3.453 116 HB3 CYS 17 1HB CYS 17 -0.884 2.574 -2.845 117 H CYS 18 H CYS 18 -2.946 4.413 -1.205 118 HA CYS 18 HA CYS 18 -3.701 6.088 -3.471 119 HB2 CYS 18 2HB CYS 18 -4.182 6.166 -0.677 120 HB3 CYS 18 1HB CYS 18 -3.243 7.599 -1.079 121 H SER 19 H SER 19 -0.861 5.042 -1.997 122 HA SER 19 HA SER 19 0.673 7.469 -2.483 123 HB2 SER 19 2HB SER 19 1.074 6.019 -0.473 124 HB3 SER 19 1HB SER 19 1.674 4.766 -1.560 125 HG SER 19 HG SER 19 2.741 7.382 -1.265 126 H GLY 20 H GLY 20 0.085 4.362 -3.981 127 HA2 GLY 20 2HA GLY 20 0.401 3.958 -6.287 128 HA3 GLY 20 1HA GLY 20 1.595 5.242 -6.328 129 H PHE 21 H PHE 21 3.232 4.369 -4.176 130 HA PHE 21 HA PHE 21 4.591 2.170 -5.523 131 HB2 PHE 21 2HB PHE 21 5.998 4.052 -5.080 132 HB3 PHE 21 1HB PHE 21 5.488 4.127 -3.402 133 HD1 PHE 21 2HD PHE 21 7.019 1.553 -5.677 134 HD2 PHE 21 1HD PHE 21 7.081 3.493 -1.885 135 HE1 PHE 21 2HE PHE 21 8.955 0.186 -5.007 136 HE2 PHE 21 1HE PHE 21 9.016 2.131 -1.219 137 HZ PHE 21 HZ PHE 21 9.953 0.480 -2.777 138 H CYS 22 H CYS 22 4.291 0.184 -4.939 139 HA CYS 22 HA CYS 22 3.684 -0.455 -2.134 140 HB2 CYS 22 2HB CYS 22 2.747 -1.684 -4.704 141 HB3 CYS 22 1HB CYS 22 2.804 -2.656 -3.238 142 H ASP 23 H ASP 23 5.271 -1.400 -1.070 143 HA ASP 23 HA ASP 23 7.548 -2.513 -2.467 144 HB2 ASP 23 2HB ASP 23 7.113 -1.295 0.054 145 HB3 ASP 23 1HB ASP 23 7.691 -2.929 0.370 146 H SER 24 H SER 24 7.756 -4.552 -3.006 147 HA SER 24 HA SER 24 5.902 -6.565 -2.062 148 HB2 SER 24 2HB SER 24 8.144 -6.730 -4.087 149 HB3 SER 24 1HB SER 24 6.968 -8.004 -3.767 150 HG SER 24 HG SER 24 6.629 -5.536 -5.041 151 H TYR 25 H TYR 25 8.926 -5.465 -1.059 152 HA TYR 25 HA TYR 25 10.087 -7.951 -0.216 153 HB2 TYR 25 2HB TYR 25 11.201 -5.605 -0.666 154 HB3 TYR 25 1HB TYR 25 10.823 -5.328 1.030 155 HD1 TYR 25 1HD TYR 25 11.962 -6.578 2.779 156 HD2 TYR 25 2HD TYR 25 12.877 -7.239 -1.323 157 HE1 TYR 25 1HE TYR 25 14.006 -7.778 3.435 158 HE2 TYR 25 2HE TYR 25 14.923 -8.442 -0.679 159 HH TYR 25 HH TYR 25 15.533 -9.462 2.498 160 H THR 26 H THR 26 7.709 -5.838 1.041 161 HA THR 26 HA THR 26 7.557 -7.404 3.519 162 HB THR 26 HB THR 26 6.870 -5.280 4.725 163 HG1 THR 26 1HG THR 26 6.650 -3.635 3.403 164 HG21 THR 26 3HG2 THR 26 9.712 -5.444 3.710 165 HG22 THR 26 1HG2 THR 26 9.053 -6.310 5.099 166 HG23 THR 26 2HG2 THR 26 9.180 -4.552 5.135 167 H LYS 27 H LYS 27 6.071 -6.458 0.751 168 HA LYS 27 HA LYS 27 3.963 -6.437 -0.085 169 HB2 LYS 27 2HB LYS 27 3.474 -8.107 2.386 170 HB3 LYS 27 1HB LYS 27 2.223 -7.803 1.192 171 HG2 LYS 27 2HG LYS 27 4.838 -8.926 0.297 172 HG3 LYS 27 1HG LYS 27 3.670 -9.982 1.093 173 HD2 LYS 27 2HD LYS 27 1.980 -9.353 -0.576 174 HD3 LYS 27 1HD LYS 27 3.164 -8.316 -1.376 175 HE2 LYS 27 2HE LYS 27 4.570 -10.264 -1.822 176 HE3 LYS 27 1HE LYS 27 3.399 -11.301 -1.009 177 HZ1 LYS 27 3HZ LYS 27 3.137 -11.380 -3.407 178 HZ2 LYS 27 1HZ LYS 27 2.884 -9.707 -3.462 179 HZ3 LYS 27 2HZ LYS 27 1.763 -10.707 -2.684 180 H THR 28 H THR 28 4.726 -4.149 1.339 181 HA THR 28 HA THR 28 2.102 -3.150 2.219 182 HB THR 28 HB THR 28 3.318 -1.738 3.954 183 HG1 THR 28 1HG THR 28 5.342 -2.394 4.577 184 HG21 THR 28 3HG2 THR 28 3.310 -3.524 5.642 185 HG22 THR 28 1HG2 THR 28 3.250 -4.732 4.359 186 HG23 THR 28 2HG2 THR 28 1.898 -3.622 4.588 187 H CYS 29 H CYS 29 1.949 -0.769 2.196 188 HA CYS 29 HA CYS 29 3.202 0.286 -0.182 189 HB2 CYS 29 2HB CYS 29 0.756 0.717 1.148 190 HB3 CYS 29 1HB CYS 29 1.621 2.251 1.175 191 H LYS 30 H LYS 30 4.662 1.857 -0.365 192 HA LYS 30 HA LYS 30 5.623 3.223 2.055 193 HB2 LYS 30 2HB LYS 30 7.260 1.606 0.118 194 HB3 LYS 30 1HB LYS 30 7.983 2.888 1.079 195 HG2 LYS 30 2HG LYS 30 6.730 1.534 3.027 196 HG3 LYS 30 1HG LYS 30 7.023 0.217 1.891 197 HD2 LYS 30 2HD LYS 30 9.381 0.666 1.891 198 HD3 LYS 30 1HD LYS 30 9.149 2.124 2.858 199 HE2 LYS 30 2HE LYS 30 8.418 -0.643 3.799 200 HE3 LYS 30 1HE LYS 30 9.969 0.125 4.119 201 HZ1 LYS 30 3HZ LYS 30 7.323 1.165 4.973 202 HZ2 LYS 30 1HZ LYS 30 8.816 1.901 5.283 203 HZ3 LYS 30 2HZ LYS 30 8.451 0.401 5.975 204 H ASP 31 H ASP 31 6.996 5.117 1.562 205 HA ASP 31 HA ASP 31 5.932 6.586 -0.713 206 HB2 ASP 31 2HB ASP 31 7.598 7.416 1.666 207 HB3 ASP 31 1HB ASP 31 7.188 8.517 0.356 208 H LYS 32 H LYS 32 6.989 6.964 -2.544 209 HA LYS 32 HA LYS 32 9.744 6.027 -2.810 210 HB2 LYS 32 2HB LYS 32 7.676 5.532 -4.397 211 HB3 LYS 32 1HB LYS 32 8.165 7.053 -5.130 212 HG2 LYS 32 2HG LYS 32 10.398 6.145 -5.535 213 HG3 LYS 32 1HG LYS 32 9.910 4.619 -4.795 214 HD2 LYS 32 2HD LYS 32 8.198 4.332 -6.522 215 HD3 LYS 32 1HD LYS 32 8.686 5.859 -7.260 216 HE2 LYS 32 2HE LYS 32 10.918 4.941 -7.673 217 HE3 LYS 32 1HE LYS 32 10.427 3.416 -6.936 218 HZ1 LYS 32 3HZ LYS 32 9.242 4.616 -9.381 219 HZ2 LYS 32 1HZ LYS 32 8.767 3.153 -8.675 220 HZ3 LYS 32 2HZ LYS 32 10.312 3.308 -9.343 221 H SER 33 H SER 33 7.800 8.949 -3.371 222 HA SER 33 HA SER 33 10.260 10.499 -3.797 223 HB2 SER 33 2HB SER 33 7.380 11.221 -4.393 224 HB3 SER 33 1HB SER 33 8.777 12.247 -4.722 225 HG SER 33 HG SER 33 9.224 11.089 -6.425 226 H SER 34 H SER 34 10.794 12.210 -2.517 227 HA SER 34 HA SER 34 9.276 12.490 -0.017 228 HB2 SER 34 2HB SER 34 11.397 13.515 0.862 229 HB3 SER 34 1HB SER 34 11.561 11.831 0.365 230 HG SER 34 HG SER 34 12.102 13.828 -1.516 231 H ALA 35 H ALA 35 8.564 14.443 0.711 232 HA ALA 35 HA ALA 35 8.564 16.631 -1.242 233 HB1 ALA 35 1HB ALA 35 6.783 16.205 1.157 234 HB2 ALA 35 2HB ALA 35 6.377 15.804 -0.512 235 HB3 ALA 35 3HB ALA 35 6.622 17.487 -0.045
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