NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504465 | 2em3 | 10168 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 5.455 -19.022 5.461 2 HA2 GLY 1 1HA GLY 1 6.374 -17.064 3.954 3 HA3 GLY 1 2HA GLY 1 6.002 -18.235 2.698 4 H SER 2 H SER 2 4.874 -15.523 3.557 5 HA SER 2 HA SER 2 2.362 -15.618 4.600 6 HB2 SER 2 1HB SER 2 3.352 -13.516 3.927 7 HB3 SER 2 2HB SER 2 3.313 -13.994 2.230 8 HG SER 2 HG SER 2 1.501 -12.867 2.373 9 H SER 3 H SER 3 0.242 -15.803 3.732 10 HA SER 3 HA SER 3 0.047 -17.281 1.198 11 HB2 SER 3 1HB SER 3 -1.530 -18.848 2.166 12 HB3 SER 3 2HB SER 3 -0.051 -18.863 3.127 13 HG SER 3 HG SER 3 -2.596 -18.009 3.796 14 H GLY 4 H GLY 4 -1.559 -16.634 -0.117 15 HA2 GLY 4 1HA GLY 4 -3.079 -14.305 0.624 16 HA3 GLY 4 2HA GLY 4 -3.111 -15.122 -0.931 17 H SER 5 H SER 5 -3.810 -16.394 2.306 18 HA SER 5 HA SER 5 -6.180 -17.692 1.365 19 HB2 SER 5 1HB SER 5 -4.656 -18.538 3.210 20 HB3 SER 5 2HB SER 5 -5.364 -17.301 4.249 21 HG SER 5 HG SER 5 -7.285 -18.319 4.181 22 H SER 6 H SER 6 -8.283 -17.131 1.613 23 HA SER 6 HA SER 6 -8.961 -14.777 3.205 24 HB2 SER 6 1HB SER 6 -9.738 -15.053 0.292 25 HB3 SER 6 2HB SER 6 -10.203 -13.741 1.374 26 HG SER 6 HG SER 6 -8.327 -13.386 -0.066 27 H GLY 7 H GLY 7 -11.310 -14.523 3.497 28 HA2 GLY 7 1HA GLY 7 -12.535 -17.125 3.880 29 HA3 GLY 7 2HA GLY 7 -13.156 -15.582 4.449 30 H THR 8 H THR 8 -14.730 -17.594 3.249 31 HA THR 8 HA THR 8 -15.265 -17.561 0.604 32 HB THR 8 HB THR 8 -17.396 -17.307 2.736 33 HG1 THR 8 HG1 THR 8 -17.319 -19.673 2.532 34 HG21 THR 8 3HG2 THR 8 -18.618 -18.794 1.009 35 HG22 THR 8 1HG2 THR 8 -17.431 -18.172 -0.137 36 HG23 THR 8 2HG2 THR 8 -18.513 -17.061 0.703 37 H GLY 9 H GLY 9 -15.018 -15.786 -0.645 38 HA2 GLY 9 1HA GLY 9 -16.560 -14.030 -1.565 39 HA3 GLY 9 2HA GLY 9 -16.605 -13.400 0.075 40 H GLU 10 H GLU 10 -15.941 -11.518 -1.493 41 HA GLU 10 HA GLU 10 -13.106 -11.110 -1.037 42 HB2 GLU 10 1HB GLU 10 -14.313 -11.392 -3.748 43 HB3 GLU 10 2HB GLU 10 -13.071 -10.169 -3.522 44 HG2 GLU 10 1HG GLU 10 -12.718 -13.065 -2.798 45 HG3 GLU 10 2HG GLU 10 -12.244 -12.369 -4.346 46 H LYS 11 H LYS 11 -12.583 -8.995 -0.712 47 HA LYS 11 HA LYS 11 -14.783 -7.153 -0.392 48 HB2 LYS 11 1HB LYS 11 -11.821 -6.802 0.108 49 HB3 LYS 11 2HB LYS 11 -13.067 -5.644 0.557 50 HG2 LYS 11 1HG LYS 11 -12.742 -6.743 2.538 51 HG3 LYS 11 2HG LYS 11 -14.079 -7.671 1.853 52 HD2 LYS 11 1HD LYS 11 -12.643 -9.428 1.187 53 HD3 LYS 11 2HD LYS 11 -11.199 -8.451 1.462 54 HE2 LYS 11 1HE LYS 11 -13.081 -9.097 3.704 55 HE3 LYS 11 2HE LYS 11 -11.840 -10.244 3.204 56 HZ1 LYS 11 3HZ LYS 11 -11.460 -7.513 4.282 57 HZ2 LYS 11 1HZ LYS 11 -10.218 -8.364 3.509 58 HZ3 LYS 11 2HZ LYS 11 -10.907 -8.975 4.928 59 HA PRO 12 HA PRO 12 -14.372 -5.058 -4.241 60 HB2 PRO 12 1HB PRO 12 -15.452 -2.665 -3.550 61 HB3 PRO 12 2HB PRO 12 -16.421 -4.125 -3.782 62 HG2 PRO 12 1HG PRO 12 -15.435 -2.890 -1.239 63 HG3 PRO 12 2HG PRO 12 -17.028 -3.577 -1.605 64 HD2 PRO 12 1HD PRO 12 -15.140 -4.934 -0.217 65 HD3 PRO 12 2HD PRO 12 -16.308 -5.743 -1.282 66 H TYR 13 H TYR 13 -13.043 -3.706 -1.301 67 HA TYR 13 HA TYR 13 -11.247 -2.005 -2.895 68 HB2 TYR 13 1HB TYR 13 -11.718 -1.808 0.079 69 HB3 TYR 13 2HB TYR 13 -10.956 -0.621 -0.974 70 HD1 TYR 13 HD1 TYR 13 -12.375 0.602 -2.655 71 HD2 TYR 13 HD2 TYR 13 -14.056 -1.816 0.416 72 HE1 TYR 13 HE1 TYR 13 -14.542 1.723 -2.967 73 HE2 TYR 13 HE2 TYR 13 -16.228 -0.703 0.111 74 HH TYR 13 HH TYR 13 -17.192 0.805 -2.360 75 H GLU 14 H GLU 14 -9.235 -2.688 -3.146 76 HA GLU 14 HA GLU 14 -7.920 -4.144 -0.979 77 HB2 GLU 14 1HB GLU 14 -8.954 -5.724 -2.739 78 HB3 GLU 14 2HB GLU 14 -7.680 -5.147 -3.804 79 HG2 GLU 14 1HG GLU 14 -5.999 -5.915 -2.197 80 HG3 GLU 14 2HG GLU 14 -7.286 -6.519 -1.154 81 H CYS 15 H CYS 15 -5.717 -3.845 -0.868 82 HA CYS 15 HA CYS 15 -4.688 -1.627 -2.444 83 HB2 CYS 15 1HB CYS 15 -4.455 -2.067 0.158 84 HB3 CYS 15 2HB CYS 15 -3.056 -3.004 -0.356 85 H LYS 16 H LYS 16 -2.402 -1.745 -3.219 86 HA LYS 16 HA LYS 16 -1.919 -4.366 -4.469 87 HB2 LYS 16 1HB LYS 16 -1.209 -1.574 -5.371 88 HB3 LYS 16 2HB LYS 16 -0.585 -3.025 -6.145 89 HG2 LYS 16 1HG LYS 16 -3.511 -2.378 -5.874 90 HG3 LYS 16 2HG LYS 16 -2.534 -2.013 -7.298 91 HD2 LYS 16 1HD LYS 16 -2.054 -4.382 -7.596 92 HD3 LYS 16 2HD LYS 16 -2.977 -4.766 -6.141 93 HE2 LYS 16 1HE LYS 16 -5.010 -3.989 -7.167 94 HE3 LYS 16 2HE LYS 16 -4.125 -3.411 -8.578 95 HZ1 LYS 16 3HZ LYS 16 -4.709 -6.186 -7.775 96 HZ2 LYS 16 1HZ LYS 16 -3.399 -5.849 -8.791 97 HZ3 LYS 16 2HZ LYS 16 -4.967 -5.433 -9.268 98 H VAL 17 H VAL 17 -0.283 -1.584 -2.994 99 HA VAL 17 HA VAL 17 2.316 -2.648 -3.018 100 HB VAL 17 HB VAL 17 1.099 -0.680 -1.075 101 HG11 VAL 17 1HG1 VAL 17 3.989 -1.314 -1.661 102 HG12 VAL 17 2HG1 VAL 17 3.419 0.013 -0.647 103 HG13 VAL 17 3HG1 VAL 17 3.125 -1.657 -0.163 104 HG21 VAL 17 3HG2 VAL 17 1.438 0.956 -2.581 105 HG22 VAL 17 1HG2 VAL 17 2.945 0.247 -3.161 106 HG23 VAL 17 2HG2 VAL 17 1.399 -0.359 -3.755 107 H CYS 18 H CYS 18 0.007 -2.474 -0.301 108 HA CYS 18 HA CYS 18 1.566 -4.427 1.179 109 HB2 CYS 18 1HB CYS 18 0.078 -3.964 3.025 110 HB3 CYS 18 2HB CYS 18 0.572 -2.436 2.302 111 H SER 19 H SER 19 -1.383 -4.244 -0.665 112 HA SER 19 HA SER 19 -2.697 -5.904 -1.528 113 HB2 SER 19 1HB SER 19 -0.492 -7.226 -1.501 114 HB3 SER 19 2HB SER 19 -1.087 -7.949 -0.007 115 HG SER 19 HG SER 19 -2.032 -8.224 -2.626 116 H LYS 20 H LYS 20 -3.358 -4.522 0.831 117 HA LYS 20 HA LYS 20 -4.670 -6.565 2.485 118 HB2 LYS 20 1HB LYS 20 -3.172 -4.644 3.432 119 HB3 LYS 20 2HB LYS 20 -4.598 -3.647 3.175 120 HG2 LYS 20 1HG LYS 20 -5.843 -5.435 4.534 121 HG3 LYS 20 2HG LYS 20 -4.236 -5.965 5.035 122 HD2 LYS 20 1HD LYS 20 -4.930 -3.072 5.239 123 HD3 LYS 20 2HD LYS 20 -5.577 -4.192 6.441 124 HE2 LYS 20 1HE LYS 20 -3.318 -4.942 6.970 125 HE3 LYS 20 2HE LYS 20 -2.660 -3.859 5.744 126 HZ1 LYS 20 3HZ LYS 20 -4.026 -2.122 7.181 127 HZ2 LYS 20 1HZ LYS 20 -2.425 -2.534 7.541 128 HZ3 LYS 20 2HZ LYS 20 -3.695 -3.249 8.399 129 H ALA 21 H ALA 21 -6.880 -6.502 2.882 130 HA ALA 21 HA ALA 21 -8.424 -4.962 0.915 131 HB1 ALA 21 3HB ALA 21 -8.871 -7.571 2.293 132 HB2 ALA 21 1HB ALA 21 -10.253 -6.653 1.694 133 HB3 ALA 21 2HB ALA 21 -8.986 -7.169 0.579 134 H PHE 22 H PHE 22 -10.064 -3.611 1.507 135 HA PHE 22 HA PHE 22 -10.466 -3.212 4.400 136 HB2 PHE 22 1HB PHE 22 -10.545 -1.081 2.255 137 HB3 PHE 22 2HB PHE 22 -10.734 -0.830 3.987 138 HD1 PHE 22 HD1 PHE 22 -8.323 -2.034 1.435 139 HD2 PHE 22 HD2 PHE 22 -8.883 -0.395 5.323 140 HE1 PHE 22 HE1 PHE 22 -5.892 -1.716 1.647 141 HE2 PHE 22 HE2 PHE 22 -6.454 -0.074 5.541 142 HZ PHE 22 HZ PHE 22 -4.955 -0.734 3.702 143 H THR 23 H THR 23 -12.553 -2.478 5.062 144 HA THR 23 HA THR 23 -14.679 -3.701 3.576 145 HB THR 23 HB THR 23 -14.738 -3.823 5.992 146 HG1 THR 23 HG1 THR 23 -16.880 -2.557 6.211 147 HG21 THR 23 3HG2 THR 23 -14.290 -2.108 7.353 148 HG22 THR 23 1HG2 THR 23 -15.469 -1.071 6.552 149 HG23 THR 23 2HG2 THR 23 -13.830 -1.200 5.913 150 H GLN 24 H GLN 24 -13.535 -0.436 4.121 151 HA GLN 24 HA GLN 24 -15.538 0.519 2.192 152 HB2 GLN 24 1HB GLN 24 -14.767 1.726 4.834 153 HB3 GLN 24 2HB GLN 24 -15.412 2.725 3.538 154 HG2 GLN 24 1HG GLN 24 -17.344 1.019 3.492 155 HG3 GLN 24 2HG GLN 24 -16.752 0.548 5.084 156 HE21 GLN 24 1HE2 GLN 24 -18.723 1.249 5.987 157 HE22 GLN 24 2HE2 GLN 24 -19.044 2.928 6.238 158 H LYS 25 H LYS 25 -14.901 2.666 1.233 159 HA LYS 25 HA LYS 25 -12.230 2.461 0.221 160 HB2 LYS 25 1HB LYS 25 -12.816 4.408 -1.139 161 HB3 LYS 25 2HB LYS 25 -14.082 3.189 -1.209 162 HG2 LYS 25 1HG LYS 25 -15.450 4.450 0.315 163 HG3 LYS 25 2HG LYS 25 -14.156 5.626 0.558 164 HD2 LYS 25 1HD LYS 25 -15.356 5.071 -2.145 165 HD3 LYS 25 2HD LYS 25 -16.010 6.289 -1.047 166 HE2 LYS 25 1HE LYS 25 -14.200 7.670 -1.283 167 HE3 LYS 25 2HE LYS 25 -13.095 6.341 -1.630 168 HZ1 LYS 25 3HZ LYS 25 -13.875 7.978 -3.499 169 HZ2 LYS 25 1HZ LYS 25 -15.204 6.934 -3.574 170 HZ3 LYS 25 2HZ LYS 25 -13.642 6.335 -3.827 171 H ALA 26 H ALA 26 -13.944 4.729 2.334 172 HA ALA 26 HA ALA 26 -12.095 6.711 2.667 173 HB1 ALA 26 3HB ALA 26 -14.314 6.677 3.730 174 HB2 ALA 26 1HB ALA 26 -13.726 5.477 4.883 175 HB3 ALA 26 2HB ALA 26 -13.032 7.099 4.866 176 H HIS 27 H HIS 27 -12.114 3.535 4.229 177 HA HIS 27 HA HIS 27 -9.892 4.002 5.916 178 HB2 HIS 27 1HB HIS 27 -11.328 1.562 4.941 179 HB3 HIS 27 2HB HIS 27 -9.788 1.378 5.776 180 HD1 HIS 27 HD1 HIS 27 -10.568 0.439 7.964 181 HD2 HIS 27 HD2 HIS 27 -12.632 3.879 6.881 182 HE1 HIS 27 HE1 HIS 27 -11.971 1.039 9.963 183 H LEU 28 H LEU 28 -10.148 2.273 2.809 184 HA LEU 28 HA LEU 28 -7.431 1.691 2.516 185 HB2 LEU 28 1HB LEU 28 -8.924 0.554 1.113 186 HB3 LEU 28 2HB LEU 28 -9.672 2.050 0.556 187 HG LEU 28 HG LEU 28 -7.326 2.502 -0.495 188 HD11 LEU 28 1HD1 LEU 28 -7.296 -0.506 -0.321 189 HD12 LEU 28 2HD1 LEU 28 -6.255 0.568 0.611 190 HD13 LEU 28 3HD1 LEU 28 -6.124 0.521 -1.147 191 HD21 LEU 28 3HD2 LEU 28 -9.693 1.099 -1.398 192 HD22 LEU 28 1HD2 LEU 28 -8.254 0.605 -2.290 193 HD23 LEU 28 2HD2 LEU 28 -8.710 2.308 -2.227 194 H ALA 29 H ALA 29 -9.269 4.300 0.915 195 HA ALA 29 HA ALA 29 -7.247 5.635 -0.332 196 HB1 ALA 29 3HB ALA 29 -8.813 7.690 0.697 197 HB2 ALA 29 1HB ALA 29 -9.036 6.852 -0.839 198 HB3 ALA 29 2HB ALA 29 -9.897 6.301 0.599 199 H GLN 30 H GLN 30 -8.246 6.059 3.053 200 HA GLN 30 HA GLN 30 -6.325 8.041 3.666 201 HB2 GLN 30 1HB GLN 30 -8.115 6.253 5.243 202 HB3 GLN 30 2HB GLN 30 -6.791 7.048 6.084 203 HG2 GLN 30 1HG GLN 30 -7.677 9.137 5.802 204 HG3 GLN 30 2HG GLN 30 -8.568 8.683 4.351 205 HE21 GLN 30 1HE2 GLN 30 -8.557 8.727 7.816 206 HE22 GLN 30 2HE2 GLN 30 -10.219 8.308 8.034 207 H HIS 31 H HIS 31 -6.332 4.519 4.008 208 HA HIS 31 HA HIS 31 -3.990 4.172 5.441 209 HB2 HIS 31 1HB HIS 31 -5.129 2.191 5.148 210 HB3 HIS 31 2HB HIS 31 -5.477 2.517 3.453 211 HD1 HIS 31 HD1 HIS 31 -2.344 1.830 5.516 212 HD2 HIS 31 HD2 HIS 31 -4.040 0.912 1.836 213 HE1 HIS 31 HE1 HIS 31 -0.719 0.271 4.397 214 H GLN 32 H GLN 32 -4.377 4.314 1.904 215 HA GLN 32 HA GLN 32 -1.891 3.893 0.980 216 HB2 GLN 32 1HB GLN 32 -3.786 6.097 0.166 217 HB3 GLN 32 2HB GLN 32 -2.333 5.693 -0.739 218 HG2 GLN 32 1HG GLN 32 -3.197 3.409 -1.054 219 HG3 GLN 32 2HG GLN 32 -4.675 3.878 -0.215 220 HE21 GLN 32 1HE2 GLN 32 -5.575 6.045 -1.167 221 HE22 GLN 32 2HE2 GLN 32 -5.732 6.056 -2.887 222 H LYS 33 H LYS 33 -2.992 6.972 2.372 223 HA LYS 33 HA LYS 33 -0.893 8.620 2.052 224 HB2 LYS 33 1HB LYS 33 -2.488 8.133 4.566 225 HB3 LYS 33 2HB LYS 33 -1.341 9.456 4.410 226 HG2 LYS 33 1HG LYS 33 -2.615 10.396 2.586 227 HG3 LYS 33 2HG LYS 33 -3.728 9.027 2.624 228 HD2 LYS 33 1HD LYS 33 -4.527 9.650 4.792 229 HD3 LYS 33 2HD LYS 33 -3.276 10.886 4.954 230 HE2 LYS 33 1HE LYS 33 -5.194 12.088 4.377 231 HE3 LYS 33 2HE LYS 33 -4.310 11.936 2.859 232 HZ1 LYS 33 3HZ LYS 33 -6.764 11.467 2.764 233 HZ2 LYS 33 1HZ LYS 33 -6.459 10.056 3.645 234 HZ3 LYS 33 2HZ LYS 33 -5.766 10.264 2.117 235 H THR 34 H THR 34 -1.038 5.997 4.433 236 HA THR 34 HA THR 34 1.400 6.465 5.706 237 HB THR 34 HB THR 34 1.349 4.108 6.383 238 HG1 THR 34 HG1 THR 34 -0.649 2.962 5.529 239 HG21 THR 34 3HG2 THR 34 -1.265 4.185 7.031 240 HG22 THR 34 1HG2 THR 34 -1.014 5.870 6.576 241 HG23 THR 34 2HG2 THR 34 -0.033 5.145 7.850 242 H HIS 35 H HIS 35 0.688 4.293 2.971 243 HA HIS 35 HA HIS 35 3.142 3.207 2.501 244 HB2 HIS 35 1HB HIS 35 0.917 4.038 0.688 245 HB3 HIS 35 2HB HIS 35 2.435 3.507 -0.031 246 HD1 HIS 35 HD1 HIS 35 3.179 1.151 1.697 247 HD2 HIS 35 HD2 HIS 35 -0.712 1.893 0.445 248 HE1 HIS 35 HE1 HIS 35 2.002 -1.068 1.810 249 H THR 36 H THR 36 2.033 6.417 1.505 250 HA THR 36 HA THR 36 3.137 8.179 0.539 251 HB THR 36 HB THR 36 5.375 7.344 2.388 252 HG1 THR 36 HG1 THR 36 4.202 8.068 4.031 253 HG21 THR 36 3HG2 THR 36 6.196 9.150 1.217 254 HG22 THR 36 1HG2 THR 36 5.394 9.968 2.557 255 HG23 THR 36 2HG2 THR 36 4.600 9.863 0.985 256 H GLY 37 H GLY 37 3.373 5.871 -1.030 257 HA2 GLY 37 1HA GLY 37 6.044 6.315 -2.200 258 HA3 GLY 37 2HA GLY 37 5.412 4.687 -2.004 259 H GLU 38 H GLU 38 6.207 6.154 -4.436 260 HA GLU 38 HA GLU 38 3.622 6.152 -5.850 261 HB2 GLU 38 1HB GLU 38 4.886 8.312 -5.849 262 HB3 GLU 38 2HB GLU 38 6.184 7.502 -6.715 263 HG2 GLU 38 1HG GLU 38 3.407 7.466 -7.808 264 HG3 GLU 38 2HG GLU 38 4.428 8.887 -8.020 265 H LYS 39 H LYS 39 3.383 4.143 -6.639 266 HA LYS 39 HA LYS 39 5.577 3.067 -8.284 267 HB2 LYS 39 1HB LYS 39 3.728 1.623 -6.393 268 HB3 LYS 39 2HB LYS 39 4.601 0.783 -7.667 269 HG2 LYS 39 1HG LYS 39 6.720 1.702 -6.693 270 HG3 LYS 39 2HG LYS 39 5.758 2.281 -5.331 271 HD2 LYS 39 1HD LYS 39 5.060 0.012 -4.825 272 HD3 LYS 39 2HD LYS 39 5.934 -0.594 -6.234 273 HE2 LYS 39 1HE LYS 39 7.442 -1.021 -4.549 274 HE3 LYS 39 2HE LYS 39 7.981 0.565 -5.101 275 HZ1 LYS 39 3HZ LYS 39 5.993 0.483 -2.961 276 HZ2 LYS 39 1HZ LYS 39 7.265 1.570 -3.214 277 HZ3 LYS 39 2HZ LYS 39 7.576 0.039 -2.566 278 HA PRO 40 HA PRO 40 2.747 2.794 -11.628 279 HB2 PRO 40 1HB PRO 40 3.625 0.561 -12.897 280 HB3 PRO 40 2HB PRO 40 4.513 2.089 -12.917 281 HG2 PRO 40 1HG PRO 40 4.954 -0.337 -11.219 282 HG3 PRO 40 2HG PRO 40 6.147 0.681 -12.046 283 HD2 PRO 40 1HD PRO 40 5.623 0.908 -9.399 284 HD3 PRO 40 2HD PRO 40 6.096 2.295 -10.401 285 H SER 41 H SER 41 1.461 0.946 -12.885 286 HA SER 41 HA SER 41 -0.229 -0.285 -10.867 287 HB2 SER 41 1HB SER 41 -1.453 0.850 -12.552 288 HB3 SER 41 2HB SER 41 -0.503 0.118 -13.845 289 HG SER 41 HG SER 41 -2.215 -1.313 -12.090 290 H GLY 42 H GLY 42 0.214 -2.263 -10.167 291 HA2 GLY 42 1HA GLY 42 1.987 -4.042 -11.476 292 HA3 GLY 42 2HA GLY 42 0.957 -4.436 -10.108 293 HA PRO 43 HA PRO 43 -0.474 -6.712 -13.946 294 HB2 PRO 43 1HB PRO 43 -0.269 -9.203 -12.887 295 HB3 PRO 43 2HB PRO 43 1.068 -8.400 -13.717 296 HG2 PRO 43 1HG PRO 43 0.544 -8.659 -10.782 297 HG3 PRO 43 2HG PRO 43 2.070 -8.838 -11.665 298 HD2 PRO 43 1HD PRO 43 1.425 -6.581 -10.317 299 HD3 PRO 43 2HD PRO 43 2.409 -6.562 -11.794 300 H SER 44 H SER 44 -2.209 -8.579 -13.863 301 HA SER 44 HA SER 44 -4.380 -9.090 -13.407 302 HB2 SER 44 1HB SER 44 -3.320 -10.068 -11.390 303 HB3 SER 44 2HB SER 44 -3.551 -8.537 -10.547 304 HG SER 44 HG SER 44 -5.728 -8.836 -10.592 305 H SER 45 H SER 45 -3.980 -6.479 -14.241 306 HA SER 45 HA SER 45 -4.971 -4.417 -12.719 307 HB2 SER 45 1HB SER 45 -4.105 -3.908 -14.876 308 HB3 SER 45 2HB SER 45 -5.260 -4.978 -15.672 309 HG SER 45 HG SER 45 -6.708 -3.447 -15.616 310 H GLY 46 H GLY 46 -6.837 -6.696 -14.717 311 HA2 GLY 46 1HA GLY 46 -9.019 -7.398 -14.539 312 HA3 GLY 46 2HA GLY 46 -9.034 -6.713 -12.920 Start of MODEL 2 1 H1 GLY 1 H GLY 1 8.146 -24.080 7.939 2 HA2 GLY 1 1HA GLY 1 7.497 -21.255 7.621 3 HA3 GLY 1 2HA GLY 1 6.991 -22.565 6.565 4 H SER 2 H SER 2 5.237 -20.579 7.391 5 HA SER 2 HA SER 2 3.424 -22.119 9.129 6 HB2 SER 2 1HB SER 2 4.229 -20.234 10.420 7 HB3 SER 2 2HB SER 2 3.854 -19.122 9.103 8 HG SER 2 HG SER 2 2.270 -19.269 10.863 9 H SER 3 H SER 3 1.298 -22.215 8.526 10 HA SER 3 HA SER 3 0.391 -20.633 6.247 11 HB2 SER 3 1HB SER 3 1.385 -22.769 5.358 12 HB3 SER 3 2HB SER 3 0.145 -23.648 6.251 13 HG SER 3 HG SER 3 -0.273 -21.735 4.196 14 H GLY 4 H GLY 4 -1.407 -19.711 6.974 15 HA2 GLY 4 1HA GLY 4 -3.161 -21.261 8.765 16 HA3 GLY 4 2HA GLY 4 -3.102 -19.507 8.680 17 H SER 5 H SER 5 -4.046 -18.447 6.859 18 HA SER 5 HA SER 5 -5.729 -20.066 5.113 19 HB2 SER 5 1HB SER 5 -7.760 -18.857 5.650 20 HB3 SER 5 2HB SER 5 -7.102 -19.546 7.133 21 HG SER 5 HG SER 5 -6.622 -17.593 7.852 22 H SER 6 H SER 6 -5.259 -19.386 3.140 23 HA SER 6 HA SER 6 -4.711 -16.521 2.725 24 HB2 SER 6 1HB SER 6 -3.636 -18.992 1.394 25 HB3 SER 6 2HB SER 6 -3.614 -17.444 0.550 26 HG SER 6 HG SER 6 -2.284 -18.193 2.919 27 H GLY 7 H GLY 7 -6.799 -15.826 2.337 28 HA2 GLY 7 1HA GLY 7 -8.346 -17.162 0.244 29 HA3 GLY 7 2HA GLY 7 -8.929 -15.901 1.320 30 H THR 8 H THR 8 -9.114 -16.127 -1.603 31 HA THR 8 HA THR 8 -7.311 -14.354 -2.856 32 HB THR 8 HB THR 8 -9.070 -14.170 -4.636 33 HG1 THR 8 HG1 THR 8 -10.542 -15.401 -2.624 34 HG21 THR 8 3HG2 THR 8 -8.454 -16.167 -5.517 35 HG22 THR 8 1HG2 THR 8 -8.918 -17.068 -4.074 36 HG23 THR 8 2HG2 THR 8 -7.381 -16.203 -4.117 37 H GLY 9 H GLY 9 -10.502 -13.860 -1.388 38 HA2 GLY 9 1HA GLY 9 -11.207 -11.898 -0.309 39 HA3 GLY 9 2HA GLY 9 -9.861 -11.037 -1.042 40 H GLU 10 H GLU 10 -13.066 -11.051 -0.955 41 HA GLU 10 HA GLU 10 -13.338 -10.290 -3.789 42 HB2 GLU 10 1HB GLU 10 -14.653 -12.331 -2.869 43 HB3 GLU 10 2HB GLU 10 -15.662 -11.127 -2.082 44 HG2 GLU 10 1HG GLU 10 -15.133 -10.849 -4.992 45 HG3 GLU 10 2HG GLU 10 -16.262 -12.090 -4.450 46 H LYS 11 H LYS 11 -12.378 -8.444 -2.000 47 HA LYS 11 HA LYS 11 -14.651 -6.769 -1.231 48 HB2 LYS 11 1HB LYS 11 -11.717 -6.720 -0.571 49 HB3 LYS 11 2HB LYS 11 -12.743 -5.328 -0.253 50 HG2 LYS 11 1HG LYS 11 -12.587 -6.586 1.755 51 HG3 LYS 11 2HG LYS 11 -14.212 -6.821 1.107 52 HD2 LYS 11 1HD LYS 11 -13.596 -8.980 0.224 53 HD3 LYS 11 2HD LYS 11 -11.915 -8.735 0.704 54 HE2 LYS 11 1HE LYS 11 -12.889 -8.459 3.085 55 HE3 LYS 11 2HE LYS 11 -14.319 -9.246 2.419 56 HZ1 LYS 11 3HZ LYS 11 -11.900 -10.415 3.265 57 HZ2 LYS 11 1HZ LYS 11 -12.120 -10.741 1.620 58 HZ3 LYS 11 2HZ LYS 11 -13.314 -11.177 2.735 59 HA PRO 12 HA PRO 12 -14.261 -4.114 -4.717 60 HB2 PRO 12 1HB PRO 12 -15.277 -1.828 -3.662 61 HB3 PRO 12 2HB PRO 12 -16.280 -3.221 -4.082 62 HG2 PRO 12 1HG PRO 12 -15.219 -2.387 -1.409 63 HG3 PRO 12 2HG PRO 12 -16.834 -2.985 -1.835 64 HD2 PRO 12 1HD PRO 12 -14.948 -4.563 -0.701 65 HD3 PRO 12 2HD PRO 12 -16.153 -5.187 -1.846 66 H TYR 13 H TYR 13 -12.719 -3.404 -1.699 67 HA TYR 13 HA TYR 13 -10.889 -1.557 -3.088 68 HB2 TYR 13 1HB TYR 13 -11.490 -1.484 -0.131 69 HB3 TYR 13 2HB TYR 13 -10.619 -0.288 -1.084 70 HD1 TYR 13 HD1 TYR 13 -11.884 1.103 -2.748 71 HD2 TYR 13 HD2 TYR 13 -13.845 -1.400 0.079 72 HE1 TYR 13 HE1 TYR 13 -13.974 2.350 -3.103 73 HE2 TYR 13 HE2 TYR 13 -15.941 -0.161 -0.269 74 HH TYR 13 HH TYR 13 -16.117 2.543 -2.568 75 H GLU 14 H GLU 14 -8.987 -2.489 -3.400 76 HA GLU 14 HA GLU 14 -7.816 -4.072 -1.223 77 HB2 GLU 14 1HB GLU 14 -8.851 -5.386 -3.275 78 HB3 GLU 14 2HB GLU 14 -7.332 -4.938 -4.038 79 HG2 GLU 14 1HG GLU 14 -6.722 -6.935 -3.168 80 HG3 GLU 14 2HG GLU 14 -6.332 -5.904 -1.792 81 H CYS 15 H CYS 15 -5.737 -3.616 -0.805 82 HA CYS 15 HA CYS 15 -4.488 -1.453 -2.232 83 HB2 CYS 15 1HB CYS 15 -4.416 -2.094 0.339 84 HB3 CYS 15 2HB CYS 15 -3.022 -3.041 -0.171 85 H LYS 16 H LYS 16 -2.166 -1.604 -2.889 86 HA LYS 16 HA LYS 16 -1.710 -4.141 -4.310 87 HB2 LYS 16 1HB LYS 16 -0.882 -1.312 -4.951 88 HB3 LYS 16 2HB LYS 16 -0.206 -2.709 -5.778 89 HG2 LYS 16 1HG LYS 16 -2.160 -3.176 -6.883 90 HG3 LYS 16 2HG LYS 16 -3.165 -2.393 -5.662 91 HD2 LYS 16 1HD LYS 16 -3.294 -0.834 -7.330 92 HD3 LYS 16 2HD LYS 16 -1.866 -0.242 -6.478 93 HE2 LYS 16 1HE LYS 16 -0.407 -1.256 -8.069 94 HE3 LYS 16 2HE LYS 16 -1.740 -2.130 -8.822 95 HZ1 LYS 16 3HZ LYS 16 -1.004 0.697 -9.057 96 HZ2 LYS 16 1HZ LYS 16 -2.639 0.283 -9.184 97 HZ3 LYS 16 2HZ LYS 16 -1.512 -0.387 -10.252 98 H VAL 17 H VAL 17 -0.068 -1.558 -2.517 99 HA VAL 17 HA VAL 17 2.494 -2.699 -2.490 100 HB VAL 17 HB VAL 17 1.231 -0.915 -0.403 101 HG11 VAL 17 1HG1 VAL 17 3.176 -1.896 0.539 102 HG12 VAL 17 2HG1 VAL 17 4.094 -1.668 -0.950 103 HG13 VAL 17 3HG1 VAL 17 3.628 -0.272 0.023 104 HG21 VAL 17 3HG2 VAL 17 1.678 0.885 -1.694 105 HG22 VAL 17 1HG2 VAL 17 3.137 0.165 -2.377 106 HG23 VAL 17 2HG2 VAL 17 1.552 -0.290 -3.003 107 H CYS 18 H CYS 18 0.220 -2.579 0.259 108 HA CYS 18 HA CYS 18 1.570 -4.807 1.516 109 HB2 CYS 18 1HB CYS 18 0.080 -4.416 3.387 110 HB3 CYS 18 2HB CYS 18 0.731 -2.877 2.834 111 H SER 19 H SER 19 -1.140 -4.314 -0.527 112 HA SER 19 HA SER 19 -2.665 -5.730 -1.446 113 HB2 SER 19 1HB SER 19 -0.558 -7.619 -0.476 114 HB3 SER 19 2HB SER 19 -2.091 -8.279 -1.045 115 HG SER 19 HG SER 19 -0.251 -6.667 -2.475 116 H LYS 20 H LYS 20 -3.531 -4.612 0.806 117 HA LYS 20 HA LYS 20 -4.699 -6.779 2.415 118 HB2 LYS 20 1HB LYS 20 -3.358 -4.714 3.385 119 HB3 LYS 20 2HB LYS 20 -4.911 -3.907 3.211 120 HG2 LYS 20 1HG LYS 20 -5.908 -5.792 4.554 121 HG3 LYS 20 2HG LYS 20 -4.255 -6.308 4.894 122 HD2 LYS 20 1HD LYS 20 -3.810 -4.475 6.207 123 HD3 LYS 20 2HD LYS 20 -5.003 -3.465 5.388 124 HE2 LYS 20 1HE LYS 20 -5.703 -5.790 7.174 125 HE3 LYS 20 2HE LYS 20 -5.606 -4.120 7.729 126 HZ1 LYS 20 3HZ LYS 20 -7.325 -3.544 6.107 127 HZ2 LYS 20 1HZ LYS 20 -7.873 -4.703 7.211 128 HZ3 LYS 20 2HZ LYS 20 -7.442 -5.166 5.642 129 H ALA 21 H ALA 21 -6.954 -6.480 3.118 130 HA ALA 21 HA ALA 21 -8.554 -5.154 1.026 131 HB1 ALA 21 3HB ALA 21 -8.502 -7.813 1.506 132 HB2 ALA 21 1HB ALA 21 -9.827 -7.318 2.559 133 HB3 ALA 21 2HB ALA 21 -9.889 -6.956 0.834 134 H PHE 22 H PHE 22 -10.228 -3.855 1.623 135 HA PHE 22 HA PHE 22 -10.742 -3.560 4.507 136 HB2 PHE 22 1HB PHE 22 -10.645 -1.288 2.515 137 HB3 PHE 22 2HB PHE 22 -10.873 -1.158 4.255 138 HD1 PHE 22 HD1 PHE 22 -8.467 -1.760 1.571 139 HD2 PHE 22 HD2 PHE 22 -9.015 -1.396 5.776 140 HE1 PHE 22 HE1 PHE 22 -6.033 -1.551 1.866 141 HE2 PHE 22 HE2 PHE 22 -6.583 -1.186 6.078 142 HZ PHE 22 HZ PHE 22 -5.088 -1.262 4.122 143 H THR 23 H THR 23 -12.842 -2.731 5.063 144 HA THR 23 HA THR 23 -14.903 -3.795 3.359 145 HB THR 23 HB THR 23 -15.110 -4.087 5.761 146 HG1 THR 23 HG1 THR 23 -17.014 -3.575 4.305 147 HG21 THR 23 3HG2 THR 23 -15.265 -1.073 5.893 148 HG22 THR 23 1HG2 THR 23 -13.945 -2.071 6.499 149 HG23 THR 23 2HG2 THR 23 -15.541 -2.175 7.242 150 H GLN 24 H GLN 24 -13.873 -0.589 4.437 151 HA GLN 24 HA GLN 24 -15.746 0.590 2.492 152 HB2 GLN 24 1HB GLN 24 -14.644 1.730 5.062 153 HB3 GLN 24 2HB GLN 24 -15.539 2.677 3.881 154 HG2 GLN 24 1HG GLN 24 -17.324 0.776 4.199 155 HG3 GLN 24 2HG GLN 24 -16.492 0.564 5.738 156 HE21 GLN 24 1HE2 GLN 24 -17.772 3.172 3.699 157 HE22 GLN 24 2HE2 GLN 24 -18.457 4.083 4.998 158 H LYS 25 H LYS 25 -14.979 2.726 1.604 159 HA LYS 25 HA LYS 25 -12.373 2.355 0.459 160 HB2 LYS 25 1HB LYS 25 -14.294 3.263 -0.824 161 HB3 LYS 25 2HB LYS 25 -14.268 4.697 0.194 162 HG2 LYS 25 1HG LYS 25 -12.024 5.229 -0.603 163 HG3 LYS 25 2HG LYS 25 -12.041 3.785 -1.619 164 HD2 LYS 25 1HD LYS 25 -14.007 4.692 -2.812 165 HD3 LYS 25 2HD LYS 25 -13.894 6.159 -1.836 166 HE2 LYS 25 1HE LYS 25 -11.700 5.118 -3.624 167 HE3 LYS 25 2HE LYS 25 -12.858 6.363 -4.088 168 HZ1 LYS 25 3HZ LYS 25 -10.463 6.778 -2.855 169 HZ2 LYS 25 1HZ LYS 25 -11.582 6.940 -1.596 170 HZ3 LYS 25 2HZ LYS 25 -11.722 7.900 -2.981 171 H ALA 26 H ALA 26 -13.857 4.819 2.555 172 HA ALA 26 HA ALA 26 -11.872 6.611 2.906 173 HB1 ALA 26 3HB ALA 26 -13.017 7.315 4.706 174 HB2 ALA 26 1HB ALA 26 -14.188 6.092 4.212 175 HB3 ALA 26 2HB ALA 26 -13.004 5.724 5.467 176 H HIS 27 H HIS 27 -12.016 3.404 4.394 177 HA HIS 27 HA HIS 27 -9.747 3.666 6.036 178 HB2 HIS 27 1HB HIS 27 -11.163 1.290 4.847 179 HB3 HIS 27 2HB HIS 27 -9.715 1.096 5.831 180 HD1 HIS 27 HD1 HIS 27 -12.408 -0.068 6.751 181 HD2 HIS 27 HD2 HIS 27 -10.982 3.673 7.863 182 HE1 HIS 27 HE1 HIS 27 -13.584 0.488 8.903 183 H LEU 28 H LEU 28 -10.125 2.521 2.708 184 HA LEU 28 HA LEU 28 -7.422 1.746 2.354 185 HB2 LEU 28 1HB LEU 28 -9.190 0.904 0.926 186 HB3 LEU 28 2HB LEU 28 -9.524 2.532 0.341 187 HG LEU 28 HG LEU 28 -7.017 2.406 -0.455 188 HD11 LEU 28 1HD1 LEU 28 -6.072 0.370 -0.708 189 HD12 LEU 28 2HD1 LEU 28 -7.619 -0.444 -0.942 190 HD13 LEU 28 3HD1 LEU 28 -7.086 -0.015 0.684 191 HD21 LEU 28 3HD2 LEU 28 -7.811 1.562 -2.619 192 HD22 LEU 28 1HD2 LEU 28 -8.929 2.731 -1.917 193 HD23 LEU 28 2HD2 LEU 28 -9.298 1.008 -1.849 194 H ALA 29 H ALA 29 -9.202 4.636 1.262 195 HA ALA 29 HA ALA 29 -7.071 5.991 0.105 196 HB1 ALA 29 3HB ALA 29 -8.723 7.934 1.304 197 HB2 ALA 29 1HB ALA 29 -8.746 7.365 -0.366 198 HB3 ALA 29 2HB ALA 29 -9.764 6.586 0.846 199 H GLN 30 H GLN 30 -8.267 6.176 3.451 200 HA GLN 30 HA GLN 30 -6.314 8.032 4.322 201 HB2 GLN 30 1HB GLN 30 -8.442 7.667 5.506 202 HB3 GLN 30 2HB GLN 30 -7.919 6.045 5.940 203 HG2 GLN 30 1HG GLN 30 -6.005 7.070 7.164 204 HG3 GLN 30 2HG GLN 30 -6.723 8.649 6.850 205 HE21 GLN 30 1HE2 GLN 30 -6.893 5.739 8.688 206 HE22 GLN 30 2HE2 GLN 30 -8.145 6.239 9.768 207 H HIS 31 H HIS 31 -6.138 4.729 3.593 208 HA HIS 31 HA HIS 31 -3.879 4.225 5.366 209 HB2 HIS 31 1HB HIS 31 -5.194 2.320 5.298 210 HB3 HIS 31 2HB HIS 31 -5.600 2.533 3.597 211 HD1 HIS 31 HD1 HIS 31 -2.555 1.622 5.690 212 HD2 HIS 31 HD2 HIS 31 -4.208 0.900 1.947 213 HE1 HIS 31 HE1 HIS 31 -1.050 -0.076 4.606 214 H GLN 32 H GLN 32 -4.444 3.615 1.896 215 HA GLN 32 HA GLN 32 -1.958 3.245 0.974 216 HB2 GLN 32 1HB GLN 32 -4.149 4.915 -0.246 217 HB3 GLN 32 2HB GLN 32 -2.656 4.555 -1.103 218 HG2 GLN 32 1HG GLN 32 -3.122 2.171 -0.934 219 HG3 GLN 32 2HG GLN 32 -4.608 2.519 -0.053 220 HE21 GLN 32 1HE2 GLN 32 -3.017 2.576 -3.134 221 HE22 GLN 32 2HE2 GLN 32 -4.427 2.862 -4.089 222 H LYS 33 H LYS 33 -3.358 6.451 1.598 223 HA LYS 33 HA LYS 33 -1.494 8.181 0.766 224 HB2 LYS 33 1HB LYS 33 -2.045 9.642 2.609 225 HB3 LYS 33 2HB LYS 33 -3.496 8.786 2.103 226 HG2 LYS 33 1HG LYS 33 -3.181 7.210 3.974 227 HG3 LYS 33 2HG LYS 33 -1.788 8.157 4.502 228 HD2 LYS 33 1HD LYS 33 -4.543 9.326 4.165 229 HD3 LYS 33 2HD LYS 33 -3.965 8.644 5.687 230 HE2 LYS 33 1HE LYS 33 -2.441 10.332 6.020 231 HE3 LYS 33 2HE LYS 33 -2.298 10.688 4.299 232 HZ1 LYS 33 3HZ LYS 33 -4.932 11.204 5.078 233 HZ2 LYS 33 1HZ LYS 33 -3.761 12.308 4.557 234 HZ3 LYS 33 2HZ LYS 33 -3.915 11.953 6.203 235 H THR 34 H THR 34 -1.196 6.237 3.720 236 HA THR 34 HA THR 34 1.239 7.249 4.627 237 HB THR 34 HB THR 34 -0.401 5.549 5.739 238 HG1 THR 34 HG1 THR 34 1.262 6.170 6.990 239 HG21 THR 34 3HG2 THR 34 0.367 3.232 5.636 240 HG22 THR 34 1HG2 THR 34 1.580 3.676 4.436 241 HG23 THR 34 2HG2 THR 34 -0.135 3.794 4.041 242 H HIS 35 H HIS 35 0.586 4.526 2.440 243 HA HIS 35 HA HIS 35 3.146 3.567 2.085 244 HB2 HIS 35 1HB HIS 35 0.783 3.729 0.234 245 HB3 HIS 35 2HB HIS 35 2.306 3.032 -0.309 246 HD1 HIS 35 HD1 HIS 35 3.072 1.439 2.208 247 HD2 HIS 35 HD2 HIS 35 -0.737 1.494 0.550 248 HE1 HIS 35 HE1 HIS 35 1.967 -0.680 2.991 249 H THR 36 H THR 36 1.532 5.997 0.030 250 HA THR 36 HA THR 36 3.717 6.627 -1.569 251 HB THR 36 HB THR 36 1.516 8.511 -0.702 252 HG1 THR 36 HG1 THR 36 0.501 6.842 -1.689 253 HG21 THR 36 3HG2 THR 36 1.999 9.514 -2.982 254 HG22 THR 36 1HG2 THR 36 3.489 8.572 -2.976 255 HG23 THR 36 2HG2 THR 36 3.215 9.797 -1.737 256 H GLY 37 H GLY 37 2.693 8.056 1.515 257 HA2 GLY 37 1HA GLY 37 4.395 10.184 1.745 258 HA3 GLY 37 2HA GLY 37 3.928 9.174 3.105 259 H GLU 38 H GLU 38 6.485 10.253 1.216 260 HA GLU 38 HA GLU 38 8.275 8.129 1.203 261 HB2 GLU 38 1HB GLU 38 8.572 11.101 1.233 262 HB3 GLU 38 2HB GLU 38 10.004 10.111 1.477 263 HG2 GLU 38 1HG GLU 38 9.996 9.317 -0.655 264 HG3 GLU 38 2HG GLU 38 8.246 9.454 -0.818 265 H LYS 39 H LYS 39 9.059 6.956 2.810 266 HA LYS 39 HA LYS 39 9.463 8.244 5.431 267 HB2 LYS 39 1HB LYS 39 8.418 5.516 4.731 268 HB3 LYS 39 2HB LYS 39 9.174 5.812 6.291 269 HG2 LYS 39 1HG LYS 39 6.969 7.591 5.355 270 HG3 LYS 39 2HG LYS 39 6.597 6.004 6.032 271 HD2 LYS 39 1HD LYS 39 7.411 6.561 8.124 272 HD3 LYS 39 2HD LYS 39 8.445 7.845 7.492 273 HE2 LYS 39 1HE LYS 39 6.793 9.112 8.425 274 HE3 LYS 39 2HE LYS 39 6.118 8.895 6.812 275 HZ1 LYS 39 3HZ LYS 39 5.264 7.739 9.355 276 HZ2 LYS 39 1HZ LYS 39 5.091 6.780 7.972 277 HZ3 LYS 39 2HZ LYS 39 4.336 8.291 8.053 278 HA PRO 40 HA PRO 40 13.586 6.829 3.920 279 HB2 PRO 40 1HB PRO 40 14.924 8.972 4.915 280 HB3 PRO 40 2HB PRO 40 14.137 8.981 3.332 281 HG2 PRO 40 1HG PRO 40 13.162 10.082 5.940 282 HG3 PRO 40 2HG PRO 40 13.081 10.802 4.321 283 HD2 PRO 40 1HD PRO 40 10.964 9.569 5.474 284 HD3 PRO 40 2HD PRO 40 11.239 9.553 3.720 285 H SER 41 H SER 41 13.196 5.160 5.589 286 HA SER 41 HA SER 41 13.871 5.739 8.320 287 HB2 SER 41 1HB SER 41 13.658 3.307 8.654 288 HB3 SER 41 2HB SER 41 12.276 3.955 7.771 289 HG SER 41 HG SER 41 13.618 3.315 5.837 290 H GLY 42 H GLY 42 15.484 4.191 5.574 291 HA2 GLY 42 1HA GLY 42 17.879 4.561 5.319 292 HA3 GLY 42 2HA GLY 42 18.021 4.432 7.066 293 HA PRO 43 HA PRO 43 18.442 0.248 4.724 294 HB2 PRO 43 1HB PRO 43 21.113 0.191 4.242 295 HB3 PRO 43 2HB PRO 43 19.939 0.813 3.076 296 HG2 PRO 43 1HG PRO 43 21.682 2.313 4.992 297 HG3 PRO 43 2HG PRO 43 21.318 2.673 3.295 298 HD2 PRO 43 1HD PRO 43 20.096 3.945 5.348 299 HD3 PRO 43 2HD PRO 43 19.282 3.626 3.803 300 H SER 44 H SER 44 19.459 -1.635 5.622 301 HA SER 44 HA SER 44 20.976 -1.263 8.091 302 HB2 SER 44 1HB SER 44 18.394 -1.447 8.476 303 HB3 SER 44 2HB SER 44 18.650 -3.159 8.140 304 HG SER 44 HG SER 44 20.182 -1.743 10.050 305 H SER 45 H SER 45 22.031 -3.203 8.832 306 HA SER 45 HA SER 45 23.070 -4.757 6.692 307 HB2 SER 45 1HB SER 45 23.443 -4.726 9.665 308 HB3 SER 45 2HB SER 45 24.061 -6.088 8.731 309 HG SER 45 HG SER 45 24.640 -3.388 8.101 310 H GLY 46 H GLY 46 20.950 -5.536 9.441 311 HA2 GLY 46 1HA GLY 46 19.820 -7.729 7.862 312 HA3 GLY 46 2HA GLY 46 20.514 -8.125 9.428 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.886 -21.036 -9.718 2 HA2 GLY 1 1HA GLY 1 5.179 -21.657 -6.987 3 HA3 GLY 1 2HA GLY 1 6.756 -21.866 -7.733 4 H SER 2 H SER 2 8.159 -20.826 -6.469 5 HA SER 2 HA SER 2 7.823 -18.839 -4.686 6 HB2 SER 2 1HB SER 2 10.156 -19.152 -6.588 7 HB3 SER 2 2HB SER 2 10.179 -18.136 -5.147 8 HG SER 2 HG SER 2 10.366 -19.855 -3.933 9 H SER 3 H SER 3 8.191 -16.531 -4.694 10 HA SER 3 HA SER 3 7.776 -14.410 -5.403 11 HB2 SER 3 1HB SER 3 8.444 -15.552 -8.128 12 HB3 SER 3 2HB SER 3 8.329 -13.835 -7.740 13 HG SER 3 HG SER 3 10.478 -14.475 -7.634 14 H GLY 4 H GLY 4 5.564 -15.971 -4.975 15 HA2 GLY 4 1HA GLY 4 3.768 -15.459 -7.243 16 HA3 GLY 4 2HA GLY 4 3.428 -16.520 -5.883 17 H SER 5 H SER 5 2.174 -13.994 -7.195 18 HA SER 5 HA SER 5 1.829 -12.465 -4.701 19 HB2 SER 5 1HB SER 5 1.262 -10.548 -6.037 20 HB3 SER 5 2HB SER 5 2.747 -11.233 -6.698 21 HG SER 5 HG SER 5 1.573 -12.126 -8.365 22 H SER 6 H SER 6 -0.249 -11.873 -4.035 23 HA SER 6 HA SER 6 -2.262 -13.799 -4.456 24 HB2 SER 6 1HB SER 6 -2.265 -11.088 -3.136 25 HB3 SER 6 2HB SER 6 -3.720 -12.080 -3.229 26 HG SER 6 HG SER 6 -2.025 -13.739 -2.340 27 H GLY 7 H GLY 7 -4.630 -12.840 -4.893 28 HA2 GLY 7 1HA GLY 7 -4.921 -10.847 -6.872 29 HA3 GLY 7 2HA GLY 7 -4.802 -12.419 -7.650 30 H THR 8 H THR 8 -6.153 -13.984 -5.773 31 HA THR 8 HA THR 8 -8.833 -13.548 -6.549 32 HB THR 8 HB THR 8 -7.905 -15.299 -4.270 33 HG1 THR 8 HG1 THR 8 -7.760 -16.925 -5.920 34 HG21 THR 8 3HG2 THR 8 -10.432 -14.921 -5.727 35 HG22 THR 8 1HG2 THR 8 -10.141 -15.562 -4.111 36 HG23 THR 8 2HG2 THR 8 -9.935 -16.601 -5.521 37 H GLY 9 H GLY 9 -10.180 -12.060 -5.789 38 HA2 GLY 9 1HA GLY 9 -10.562 -11.712 -2.960 39 HA3 GLY 9 2HA GLY 9 -9.807 -10.321 -3.722 40 H GLU 10 H GLU 10 -12.623 -11.230 -2.585 41 HA GLU 10 HA GLU 10 -14.214 -10.169 -4.818 42 HB2 GLU 10 1HB GLU 10 -16.148 -11.176 -3.764 43 HB3 GLU 10 2HB GLU 10 -14.882 -12.383 -3.943 44 HG2 GLU 10 1HG GLU 10 -14.254 -11.865 -1.540 45 HG3 GLU 10 2HG GLU 10 -15.782 -10.990 -1.445 46 H LYS 11 H LYS 11 -12.697 -8.353 -3.363 47 HA LYS 11 HA LYS 11 -14.802 -6.860 -1.945 48 HB2 LYS 11 1HB LYS 11 -11.866 -6.983 -1.233 49 HB3 LYS 11 2HB LYS 11 -13.044 -5.921 -0.473 50 HG2 LYS 11 1HG LYS 11 -14.169 -7.717 0.540 51 HG3 LYS 11 2HG LYS 11 -13.356 -8.906 -0.481 52 HD2 LYS 11 1HD LYS 11 -12.270 -9.075 1.587 53 HD3 LYS 11 2HD LYS 11 -11.189 -8.082 0.607 54 HE2 LYS 11 1HE LYS 11 -11.345 -7.070 2.760 55 HE3 LYS 11 2HE LYS 11 -12.253 -6.064 1.633 56 HZ1 LYS 11 3HZ LYS 11 -13.442 -6.396 3.719 57 HZ2 LYS 11 1HZ LYS 11 -13.437 -8.071 3.475 58 HZ3 LYS 11 2HZ LYS 11 -14.294 -7.065 2.419 59 HA PRO 12 HA PRO 12 -13.965 -3.690 -4.892 60 HB2 PRO 12 1HB PRO 12 -15.092 -1.607 -3.566 61 HB3 PRO 12 2HB PRO 12 -16.043 -2.866 -4.362 62 HG2 PRO 12 1HG PRO 12 -15.333 -2.573 -1.469 63 HG3 PRO 12 2HG PRO 12 -16.882 -3.030 -2.199 64 HD2 PRO 12 1HD PRO 12 -15.173 -4.849 -1.151 65 HD3 PRO 12 2HD PRO 12 -16.223 -5.213 -2.536 66 H TYR 13 H TYR 13 -12.795 -3.630 -1.642 67 HA TYR 13 HA TYR 13 -10.857 -1.534 -2.375 68 HB2 TYR 13 1HB TYR 13 -11.790 -2.249 0.411 69 HB3 TYR 13 2HB TYR 13 -10.714 -0.928 -0.031 70 HD1 TYR 13 HD1 TYR 13 -11.680 0.887 -1.594 71 HD2 TYR 13 HD2 TYR 13 -14.086 -1.882 0.561 72 HE1 TYR 13 HE1 TYR 13 -13.613 2.388 -1.837 73 HE2 TYR 13 HE2 TYR 13 -16.027 -0.390 0.323 74 HH TYR 13 HH TYR 13 -16.563 1.876 -0.115 75 H GLU 14 H GLU 14 -9.049 -2.560 -2.970 76 HA GLU 14 HA GLU 14 -7.815 -4.379 -1.046 77 HB2 GLU 14 1HB GLU 14 -9.046 -5.730 -2.783 78 HB3 GLU 14 2HB GLU 14 -7.956 -5.055 -3.985 79 HG2 GLU 14 1HG GLU 14 -6.061 -5.989 -2.599 80 HG3 GLU 14 2HG GLU 14 -7.287 -6.873 -1.693 81 H CYS 15 H CYS 15 -5.907 -3.521 -0.593 82 HA CYS 15 HA CYS 15 -4.633 -1.581 -2.221 83 HB2 CYS 15 1HB CYS 15 -4.467 -2.102 0.373 84 HB3 CYS 15 2HB CYS 15 -3.099 -3.083 -0.145 85 H LYS 16 H LYS 16 -2.334 -1.788 -2.949 86 HA LYS 16 HA LYS 16 -1.958 -4.389 -4.275 87 HB2 LYS 16 1HB LYS 16 -2.140 -2.852 -6.000 88 HB3 LYS 16 2HB LYS 16 -1.352 -1.574 -5.084 89 HG2 LYS 16 1HG LYS 16 0.778 -2.407 -5.520 90 HG3 LYS 16 2HG LYS 16 0.164 -3.999 -5.971 91 HD2 LYS 16 1HD LYS 16 -1.053 -2.646 -7.863 92 HD3 LYS 16 2HD LYS 16 0.218 -1.463 -7.544 93 HE2 LYS 16 1HE LYS 16 1.897 -2.884 -8.244 94 HE3 LYS 16 2HE LYS 16 0.940 -4.333 -7.939 95 HZ1 LYS 16 3HZ LYS 16 0.752 -4.278 -10.172 96 HZ2 LYS 16 1HZ LYS 16 1.002 -2.608 -10.281 97 HZ3 LYS 16 2HZ LYS 16 -0.515 -3.208 -9.839 98 H VAL 17 H VAL 17 -0.099 -1.694 -2.868 99 HA VAL 17 HA VAL 17 2.395 -2.908 -2.811 100 HB VAL 17 HB VAL 17 1.247 -0.954 -0.812 101 HG11 VAL 17 1HG1 VAL 17 3.188 -2.009 0.131 102 HG12 VAL 17 2HG1 VAL 17 4.097 -1.771 -1.363 103 HG13 VAL 17 3HG1 VAL 17 3.627 -0.381 -0.385 104 HG21 VAL 17 3HG2 VAL 17 2.609 0.676 -2.203 105 HG22 VAL 17 1HG2 VAL 17 2.713 -0.602 -3.414 106 HG23 VAL 17 2HG2 VAL 17 1.140 0.045 -2.948 107 H CYS 18 H CYS 18 0.261 -2.569 0.030 108 HA CYS 18 HA CYS 18 1.623 -4.754 1.351 109 HB2 CYS 18 1HB CYS 18 0.246 -4.208 3.271 110 HB3 CYS 18 2HB CYS 18 0.913 -2.726 2.593 111 H SER 19 H SER 19 -1.066 -4.376 -0.683 112 HA SER 19 HA SER 19 -2.642 -5.821 -1.460 113 HB2 SER 19 1HB SER 19 -0.612 -7.641 -0.265 114 HB3 SER 19 2HB SER 19 -2.191 -8.329 -0.641 115 HG SER 19 HG SER 19 -1.821 -7.233 -2.779 116 H LYS 20 H LYS 20 -2.919 -4.473 1.135 117 HA LYS 20 HA LYS 20 -4.428 -6.328 2.779 118 HB2 LYS 20 1HB LYS 20 -2.956 -4.517 3.728 119 HB3 LYS 20 2HB LYS 20 -4.122 -3.343 3.131 120 HG2 LYS 20 1HG LYS 20 -5.857 -4.402 4.528 121 HG3 LYS 20 2HG LYS 20 -4.632 -5.497 5.173 122 HD2 LYS 20 1HD LYS 20 -3.375 -3.245 5.702 123 HD3 LYS 20 2HD LYS 20 -5.006 -2.574 5.630 124 HE2 LYS 20 1HE LYS 20 -4.526 -3.155 7.905 125 HE3 LYS 20 2HE LYS 20 -5.718 -4.294 7.280 126 HZ1 LYS 20 3HZ LYS 20 -4.311 -5.784 8.174 127 HZ2 LYS 20 1HZ LYS 20 -2.972 -4.751 8.106 128 HZ3 LYS 20 2HZ LYS 20 -3.466 -5.586 6.721 129 H ALA 21 H ALA 21 -6.561 -6.618 2.696 130 HA ALA 21 HA ALA 21 -8.118 -5.011 0.829 131 HB1 ALA 21 3HB ALA 21 -8.597 -7.627 2.215 132 HB2 ALA 21 1HB ALA 21 -9.899 -6.766 1.393 133 HB3 ALA 21 2HB ALA 21 -8.480 -7.293 0.487 134 H PHE 22 H PHE 22 -10.060 -3.973 1.379 135 HA PHE 22 HA PHE 22 -10.571 -3.612 4.249 136 HB2 PHE 22 1HB PHE 22 -10.501 -1.360 2.230 137 HB3 PHE 22 2HB PHE 22 -10.843 -1.212 3.951 138 HD1 PHE 22 HD1 PHE 22 -8.204 -2.219 1.546 139 HD2 PHE 22 HD2 PHE 22 -9.120 -0.857 5.473 140 HE1 PHE 22 HE1 PHE 22 -5.806 -1.888 1.987 141 HE2 PHE 22 HE2 PHE 22 -6.724 -0.522 5.920 142 HZ PHE 22 HZ PHE 22 -5.063 -1.037 4.176 143 H THR 23 H THR 23 -12.711 -2.414 4.579 144 HA THR 23 HA THR 23 -14.690 -3.646 2.798 145 HB THR 23 HB THR 23 -16.309 -3.118 4.660 146 HG1 THR 23 HG1 THR 23 -15.421 -1.655 5.964 147 HG21 THR 23 3HG2 THR 23 -15.122 -5.331 4.319 148 HG22 THR 23 1HG2 THR 23 -15.719 -5.020 5.948 149 HG23 THR 23 2HG2 THR 23 -14.005 -4.823 5.585 150 H GLN 24 H GLN 24 -13.681 -0.562 4.141 151 HA GLN 24 HA GLN 24 -15.611 0.774 2.360 152 HB2 GLN 24 1HB GLN 24 -14.627 1.605 5.088 153 HB3 GLN 24 2HB GLN 24 -15.469 2.699 3.999 154 HG2 GLN 24 1HG GLN 24 -17.477 1.629 4.249 155 HG3 GLN 24 2HG GLN 24 -16.728 0.088 4.664 156 HE21 GLN 24 1HE2 GLN 24 -18.393 2.680 5.850 157 HE22 GLN 24 2HE2 GLN 24 -18.018 2.513 7.527 158 H LYS 25 H LYS 25 -14.927 2.801 1.445 159 HA LYS 25 HA LYS 25 -12.277 2.718 0.448 160 HB2 LYS 25 1HB LYS 25 -14.455 3.771 -0.557 161 HB3 LYS 25 2HB LYS 25 -13.952 5.200 0.336 162 HG2 LYS 25 1HG LYS 25 -11.919 5.348 -0.888 163 HG3 LYS 25 2HG LYS 25 -12.186 3.771 -1.635 164 HD2 LYS 25 1HD LYS 25 -14.337 4.811 -2.581 165 HD3 LYS 25 2HD LYS 25 -13.617 6.362 -2.141 166 HE2 LYS 25 1HE LYS 25 -12.086 4.366 -3.768 167 HE3 LYS 25 2HE LYS 25 -13.258 5.439 -4.531 168 HZ1 LYS 25 3HZ LYS 25 -11.701 6.992 -4.569 169 HZ2 LYS 25 1HZ LYS 25 -10.618 6.003 -3.726 170 HZ3 LYS 25 2HZ LYS 25 -11.678 7.011 -2.877 171 H ALA 26 H ALA 26 -13.881 5.106 2.560 172 HA ALA 26 HA ALA 26 -11.923 6.832 3.156 173 HB1 ALA 26 3HB ALA 26 -13.647 5.540 5.266 174 HB2 ALA 26 1HB ALA 26 -12.869 7.121 5.361 175 HB3 ALA 26 2HB ALA 26 -14.161 6.842 4.193 176 H HIS 27 H HIS 27 -12.174 3.567 4.511 177 HA HIS 27 HA HIS 27 -9.945 3.764 6.233 178 HB2 HIS 27 1HB HIS 27 -11.533 1.507 5.080 179 HB3 HIS 27 2HB HIS 27 -10.007 1.151 5.885 180 HD1 HIS 27 HD1 HIS 27 -11.410 -0.123 7.711 181 HD2 HIS 27 HD2 HIS 27 -12.096 3.969 7.496 182 HE1 HIS 27 HE1 HIS 27 -12.617 0.470 9.837 183 H LEU 28 H LEU 28 -10.265 2.274 3.011 184 HA LEU 28 HA LEU 28 -7.532 1.632 2.738 185 HB2 LEU 28 1HB LEU 28 -9.049 0.483 1.357 186 HB3 LEU 28 2HB LEU 28 -9.776 1.979 0.775 187 HG LEU 28 HG LEU 28 -7.441 2.399 -0.286 188 HD11 LEU 28 1HD1 LEU 28 -6.060 0.588 -0.679 189 HD12 LEU 28 2HD1 LEU 28 -7.322 -0.588 -0.314 190 HD13 LEU 28 3HD1 LEU 28 -6.564 0.324 0.991 191 HD21 LEU 28 3HD2 LEU 28 -8.133 1.179 -2.296 192 HD22 LEU 28 1HD2 LEU 28 -9.483 2.039 -1.555 193 HD23 LEU 28 2HD2 LEU 28 -9.326 0.295 -1.344 194 H ALA 29 H ALA 29 -9.398 4.215 1.127 195 HA ALA 29 HA ALA 29 -7.393 5.559 -0.137 196 HB1 ALA 29 3HB ALA 29 -8.987 7.597 0.914 197 HB2 ALA 29 1HB ALA 29 -9.176 6.784 -0.640 198 HB3 ALA 29 2HB ALA 29 -10.048 6.195 0.776 199 H GLN 30 H GLN 30 -8.434 6.112 3.226 200 HA GLN 30 HA GLN 30 -6.516 8.076 3.823 201 HB2 GLN 30 1HB GLN 30 -8.559 7.602 5.171 202 HB3 GLN 30 2HB GLN 30 -7.796 6.125 5.744 203 HG2 GLN 30 1HG GLN 30 -7.439 7.654 7.455 204 HG3 GLN 30 2HG GLN 30 -5.912 7.630 6.575 205 HE21 GLN 30 1HE2 GLN 30 -6.875 9.701 8.289 206 HE22 GLN 30 2HE2 GLN 30 -7.034 11.129 7.329 207 H HIS 31 H HIS 31 -6.396 4.576 3.897 208 HA HIS 31 HA HIS 31 -3.968 4.365 5.364 209 HB2 HIS 31 1HB HIS 31 -5.136 2.377 5.403 210 HB3 HIS 31 2HB HIS 31 -5.636 2.514 3.720 211 HD1 HIS 31 HD1 HIS 31 -2.440 1.854 5.676 212 HD2 HIS 31 HD2 HIS 31 -4.237 0.905 2.053 213 HE1 HIS 31 HE1 HIS 31 -0.892 0.211 4.568 214 H GLN 32 H GLN 32 -4.647 3.877 1.894 215 HA GLN 32 HA GLN 32 -2.242 3.435 0.830 216 HB2 GLN 32 1HB GLN 32 -4.400 5.299 -0.115 217 HB3 GLN 32 2HB GLN 32 -2.934 5.067 -1.058 218 HG2 GLN 32 1HG GLN 32 -4.565 2.725 -0.168 219 HG3 GLN 32 2HG GLN 32 -5.009 3.649 -1.602 220 HE21 GLN 32 1HE2 GLN 32 -4.596 1.295 -2.334 221 HE22 GLN 32 2HE2 GLN 32 -3.013 0.987 -2.954 222 H LYS 33 H LYS 33 -3.308 6.554 2.082 223 HA LYS 33 HA LYS 33 -1.384 8.275 1.241 224 HB2 LYS 33 1HB LYS 33 -2.736 7.996 3.908 225 HB3 LYS 33 2HB LYS 33 -1.548 9.263 3.638 226 HG2 LYS 33 1HG LYS 33 -2.889 10.401 2.167 227 HG3 LYS 33 2HG LYS 33 -3.793 8.956 1.706 228 HD2 LYS 33 1HD LYS 33 -5.361 9.991 3.007 229 HD3 LYS 33 2HD LYS 33 -4.530 9.045 4.245 230 HE2 LYS 33 1HE LYS 33 -3.721 11.860 3.576 231 HE3 LYS 33 2HE LYS 33 -4.990 11.508 4.748 232 HZ1 LYS 33 3HZ LYS 33 -3.397 10.207 6.021 233 HZ2 LYS 33 1HZ LYS 33 -2.853 11.797 5.827 234 HZ3 LYS 33 2HZ LYS 33 -2.181 10.553 4.898 235 H THR 34 H THR 34 -1.079 6.073 4.019 236 HA THR 34 HA THR 34 1.437 6.741 4.898 237 HB THR 34 HB THR 34 -0.076 5.048 5.957 238 HG1 THR 34 HG1 THR 34 2.522 3.981 5.530 239 HG21 THR 34 3HG2 THR 34 1.168 2.916 4.303 240 HG22 THR 34 1HG2 THR 34 -0.179 3.811 3.601 241 HG23 THR 34 2HG2 THR 34 -0.393 2.945 5.123 242 H HIS 35 H HIS 35 0.549 4.776 2.121 243 HA HIS 35 HA HIS 35 3.186 3.850 1.566 244 HB2 HIS 35 1HB HIS 35 0.681 3.990 -0.114 245 HB3 HIS 35 2HB HIS 35 2.190 3.293 -0.696 246 HD1 HIS 35 HD1 HIS 35 3.059 1.614 1.663 247 HD2 HIS 35 HD2 HIS 35 -0.881 1.831 0.364 248 HE1 HIS 35 HE1 HIS 35 1.959 -0.487 2.499 249 H THR 36 H THR 36 4.663 5.471 1.387 250 HA THR 36 HA THR 36 4.156 7.851 -0.136 251 HB THR 36 HB THR 36 6.761 6.799 0.984 252 HG1 THR 36 HG1 THR 36 5.336 8.960 2.076 253 HG21 THR 36 3HG2 THR 36 7.735 8.456 -0.143 254 HG22 THR 36 1HG2 THR 36 6.778 9.603 0.793 255 HG23 THR 36 2HG2 THR 36 6.178 9.010 -0.756 256 H GLY 37 H GLY 37 3.587 6.878 -2.182 257 HA2 GLY 37 1HA GLY 37 5.439 5.288 -3.650 258 HA3 GLY 37 2HA GLY 37 4.023 6.099 -4.303 259 H GLU 38 H GLU 38 6.129 6.033 -5.912 260 HA GLU 38 HA GLU 38 7.516 8.604 -5.598 261 HB2 GLU 38 1HB GLU 38 8.909 6.565 -5.913 262 HB3 GLU 38 2HB GLU 38 8.158 6.333 -7.486 263 HG2 GLU 38 1HG GLU 38 10.321 7.365 -7.737 264 HG3 GLU 38 2HG GLU 38 9.053 8.487 -8.226 265 H LYS 39 H LYS 39 7.585 10.098 -7.302 266 HA LYS 39 HA LYS 39 5.378 9.812 -9.227 267 HB2 LYS 39 1HB LYS 39 6.570 12.164 -7.813 268 HB3 LYS 39 2HB LYS 39 5.794 12.406 -9.372 269 HG2 LYS 39 1HG LYS 39 4.081 12.822 -7.889 270 HG3 LYS 39 2HG LYS 39 3.809 11.131 -8.314 271 HD2 LYS 39 1HD LYS 39 5.178 10.545 -6.258 272 HD3 LYS 39 2HD LYS 39 5.043 12.246 -5.806 273 HE2 LYS 39 1HE LYS 39 2.577 10.718 -6.505 274 HE3 LYS 39 2HE LYS 39 3.316 10.480 -4.922 275 HZ1 LYS 39 3HZ LYS 39 1.557 12.235 -5.036 276 HZ2 LYS 39 1HZ LYS 39 2.610 13.154 -5.988 277 HZ3 LYS 39 2HZ LYS 39 3.037 12.753 -4.402 278 HA PRO 40 HA PRO 40 9.209 9.551 -11.794 279 HB2 PRO 40 1HB PRO 40 8.202 7.691 -13.496 280 HB3 PRO 40 2HB PRO 40 8.979 7.271 -11.966 281 HG2 PRO 40 1HG PRO 40 6.064 7.482 -12.615 282 HG3 PRO 40 2HG PRO 40 6.913 6.248 -11.665 283 HD2 PRO 40 1HD PRO 40 5.529 8.273 -10.518 284 HD3 PRO 40 2HD PRO 40 6.980 7.567 -9.777 285 H SER 41 H SER 41 5.799 9.672 -12.759 286 HA SER 41 HA SER 41 6.126 11.984 -14.337 287 HB2 SER 41 1HB SER 41 5.918 11.126 -16.567 288 HB3 SER 41 2HB SER 41 7.269 10.281 -15.810 289 HG SER 41 HG SER 41 4.960 9.281 -16.801 290 H GLY 42 H GLY 42 4.242 12.923 -13.924 291 HA2 GLY 42 1HA GLY 42 1.862 11.333 -13.453 292 HA3 GLY 42 2HA GLY 42 2.009 13.075 -13.271 293 HA PRO 43 HA PRO 43 -0.048 13.748 -17.076 294 HB2 PRO 43 1HB PRO 43 1.313 15.842 -18.142 295 HB3 PRO 43 2HB PRO 43 0.246 16.002 -16.742 296 HG2 PRO 43 1HG PRO 43 3.228 15.760 -16.834 297 HG3 PRO 43 2HG PRO 43 2.223 16.834 -15.843 298 HD2 PRO 43 1HD PRO 43 3.313 14.553 -14.873 299 HD3 PRO 43 2HD PRO 43 1.753 15.182 -14.306 300 H SER 44 H SER 44 0.213 13.875 -19.460 301 HA SER 44 HA SER 44 2.054 11.869 -20.353 302 HB2 SER 44 1HB SER 44 1.028 12.327 -22.601 303 HB3 SER 44 2HB SER 44 -0.140 11.915 -21.345 304 HG SER 44 HG SER 44 -1.037 13.775 -21.666 305 H SER 45 H SER 45 3.417 12.204 -22.315 306 HA SER 45 HA SER 45 5.130 14.488 -21.889 307 HB2 SER 45 1HB SER 45 5.763 11.998 -22.506 308 HB3 SER 45 2HB SER 45 5.540 12.579 -24.156 309 HG SER 45 HG SER 45 7.560 13.161 -23.867 310 H GLY 46 H GLY 46 3.677 16.172 -22.535 311 HA2 GLY 46 1HA GLY 46 3.085 17.797 -24.057 312 HA3 GLY 46 2HA GLY 46 3.996 16.912 -25.272 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -2.304 -22.500 -21.805 2 HA2 GLY 1 1HA GLY 1 -3.969 -23.122 -20.353 3 HA3 GLY 1 2HA GLY 1 -2.677 -23.485 -19.219 4 H SER 2 H SER 2 -5.396 -21.670 -19.689 5 HA SER 2 HA SER 2 -4.944 -19.150 -18.742 6 HB2 SER 2 1HB SER 2 -7.247 -20.957 -17.967 7 HB3 SER 2 2HB SER 2 -7.231 -19.200 -17.825 8 HG SER 2 HG SER 2 -7.893 -19.180 -19.809 9 H SER 3 H SER 3 -3.685 -18.565 -17.103 10 HA SER 3 HA SER 3 -2.924 -20.115 -14.935 11 HB2 SER 3 1HB SER 3 -2.231 -17.975 -13.872 12 HB3 SER 3 2HB SER 3 -1.710 -18.101 -15.551 13 HG SER 3 HG SER 3 -3.376 -16.297 -14.386 14 H GLY 4 H GLY 4 -4.124 -20.956 -13.370 15 HA2 GLY 4 1HA GLY 4 -6.763 -20.176 -12.785 16 HA3 GLY 4 2HA GLY 4 -5.764 -21.222 -11.787 17 H SER 5 H SER 5 -7.132 -19.994 -10.150 18 HA SER 5 HA SER 5 -6.150 -17.313 -9.576 19 HB2 SER 5 1HB SER 5 -7.943 -17.105 -8.061 20 HB3 SER 5 2HB SER 5 -8.610 -18.057 -9.387 21 HG SER 5 HG SER 5 -8.663 -19.798 -8.139 22 H SER 6 H SER 6 -5.134 -16.730 -7.636 23 HA SER 6 HA SER 6 -3.767 -18.962 -6.290 24 HB2 SER 6 1HB SER 6 -2.907 -16.065 -6.481 25 HB3 SER 6 2HB SER 6 -1.983 -17.381 -5.757 26 HG SER 6 HG SER 6 -1.268 -17.816 -7.671 27 H GLY 7 H GLY 7 -4.763 -15.615 -5.529 28 HA2 GLY 7 1HA GLY 7 -5.158 -16.395 -2.743 29 HA3 GLY 7 2HA GLY 7 -5.180 -14.756 -3.378 30 H THR 8 H THR 8 -7.102 -14.944 -1.772 31 HA THR 8 HA THR 8 -9.497 -15.382 -3.407 32 HB THR 8 HB THR 8 -9.300 -17.367 -1.991 33 HG1 THR 8 HG1 THR 8 -11.402 -16.629 -2.368 34 HG21 THR 8 3HG2 THR 8 -8.066 -15.935 -0.164 35 HG22 THR 8 1HG2 THR 8 -9.021 -17.345 0.295 36 HG23 THR 8 2HG2 THR 8 -9.699 -15.726 0.469 37 H GLY 9 H GLY 9 -11.379 -14.204 -2.659 38 HA2 GLY 9 1HA GLY 9 -12.051 -12.610 -0.761 39 HA3 GLY 9 2HA GLY 9 -10.593 -11.749 -1.234 40 H GLU 10 H GLU 10 -13.718 -11.391 -1.377 41 HA GLU 10 HA GLU 10 -13.729 -10.384 -4.147 42 HB2 GLU 10 1HB GLU 10 -16.150 -10.678 -4.158 43 HB3 GLU 10 2HB GLU 10 -15.344 -12.199 -3.801 44 HG2 GLU 10 1HG GLU 10 -15.776 -11.767 -1.380 45 HG3 GLU 10 2HG GLU 10 -16.754 -10.383 -1.865 46 H LYS 11 H LYS 11 -12.626 -8.859 -2.106 47 HA LYS 11 HA LYS 11 -14.620 -6.979 -1.171 48 HB2 LYS 11 1HB LYS 11 -12.506 -7.714 0.094 49 HB3 LYS 11 2HB LYS 11 -11.635 -6.629 -0.982 50 HG2 LYS 11 1HG LYS 11 -12.055 -5.425 1.003 51 HG3 LYS 11 2HG LYS 11 -13.175 -4.798 -0.209 52 HD2 LYS 11 1HD LYS 11 -14.466 -5.056 1.738 53 HD3 LYS 11 2HD LYS 11 -14.868 -6.453 0.736 54 HE2 LYS 11 1HE LYS 11 -13.056 -7.690 2.040 55 HE3 LYS 11 2HE LYS 11 -13.105 -6.336 3.168 56 HZ1 LYS 11 3HZ LYS 11 -14.776 -8.548 3.108 57 HZ2 LYS 11 1HZ LYS 11 -15.727 -7.229 2.642 58 HZ3 LYS 11 2HZ LYS 11 -14.896 -7.194 4.114 59 HA PRO 12 HA PRO 12 -14.374 -4.332 -4.699 60 HB2 PRO 12 1HB PRO 12 -15.529 -2.139 -3.591 61 HB3 PRO 12 2HB PRO 12 -16.449 -3.570 -4.071 62 HG2 PRO 12 1HG PRO 12 -15.475 -2.765 -1.357 63 HG3 PRO 12 2HG PRO 12 -17.047 -3.435 -1.828 64 HD2 PRO 12 1HD PRO 12 -15.096 -4.944 -0.712 65 HD3 PRO 12 2HD PRO 12 -16.248 -5.596 -1.895 66 H TYR 13 H TYR 13 -12.666 -3.925 -1.813 67 HA TYR 13 HA TYR 13 -10.979 -1.877 -3.067 68 HB2 TYR 13 1HB TYR 13 -11.721 -1.828 -0.138 69 HB3 TYR 13 2HB TYR 13 -10.776 -0.632 -1.018 70 HD1 TYR 13 HD1 TYR 13 -11.962 0.655 -2.897 71 HD2 TYR 13 HD2 TYR 13 -14.036 -1.588 0.064 72 HE1 TYR 13 HE1 TYR 13 -14.012 1.927 -3.378 73 HE2 TYR 13 HE2 TYR 13 -16.092 -0.324 -0.410 74 HH TYR 13 HH TYR 13 -16.481 1.599 -3.136 75 H GLU 14 H GLU 14 -9.129 -2.920 -3.416 76 HA GLU 14 HA GLU 14 -7.880 -4.312 -1.155 77 HB2 GLU 14 1HB GLU 14 -8.906 -5.992 -2.672 78 HB3 GLU 14 2HB GLU 14 -7.914 -5.372 -3.985 79 HG2 GLU 14 1HG GLU 14 -5.903 -5.939 -2.588 80 HG3 GLU 14 2HG GLU 14 -7.000 -6.781 -1.495 81 H CYS 15 H CYS 15 -5.862 -3.662 -0.800 82 HA CYS 15 HA CYS 15 -4.642 -1.734 -2.539 83 HB2 CYS 15 1HB CYS 15 -4.481 -1.651 -0.047 84 HB3 CYS 15 2HB CYS 15 -3.464 -3.087 -0.104 85 H LYS 16 H LYS 16 -2.387 -1.933 -3.287 86 HA LYS 16 HA LYS 16 -1.848 -4.667 -4.240 87 HB2 LYS 16 1HB LYS 16 -2.344 -2.607 -5.829 88 HB3 LYS 16 2HB LYS 16 -0.639 -2.274 -5.554 89 HG2 LYS 16 1HG LYS 16 -0.664 -3.537 -7.505 90 HG3 LYS 16 2HG LYS 16 -0.243 -4.704 -6.249 91 HD2 LYS 16 1HD LYS 16 -1.864 -5.781 -7.570 92 HD3 LYS 16 2HD LYS 16 -2.732 -5.235 -6.133 93 HE2 LYS 16 1HE LYS 16 -4.115 -4.690 -7.963 94 HE3 LYS 16 2HE LYS 16 -3.361 -3.175 -7.467 95 HZ1 LYS 16 3HZ LYS 16 -2.657 -2.949 -9.540 96 HZ2 LYS 16 1HZ LYS 16 -3.241 -4.477 -9.971 97 HZ3 LYS 16 2HZ LYS 16 -1.678 -4.315 -9.346 98 H VAL 17 H VAL 17 -0.520 -1.864 -2.653 99 HA VAL 17 HA VAL 17 2.210 -2.607 -2.753 100 HB VAL 17 HB VAL 17 0.773 -0.883 -0.730 101 HG11 VAL 17 1HG1 VAL 17 3.643 -1.556 -1.148 102 HG12 VAL 17 2HG1 VAL 17 3.219 0.076 -0.627 103 HG13 VAL 17 3HG1 VAL 17 2.747 -1.314 0.352 104 HG21 VAL 17 3HG2 VAL 17 2.494 0.165 -2.931 105 HG22 VAL 17 1HG2 VAL 17 0.831 -0.305 -3.282 106 HG23 VAL 17 2HG2 VAL 17 1.160 0.943 -2.079 107 H CYS 18 H CYS 18 -0.142 -2.833 -0.077 108 HA CYS 18 HA CYS 18 1.513 -4.983 1.070 109 HB2 CYS 18 1HB CYS 18 0.437 -4.407 3.238 110 HB3 CYS 18 2HB CYS 18 1.376 -3.082 2.560 111 H SER 19 H SER 19 -0.762 -5.000 -0.968 112 HA SER 19 HA SER 19 -2.720 -6.123 -1.391 113 HB2 SER 19 1HB SER 19 -0.876 -7.868 -1.332 114 HB3 SER 19 2HB SER 19 -1.426 -8.273 0.293 115 HG SER 19 HG SER 19 -2.640 -8.733 -2.169 116 H LYS 20 H LYS 20 -2.793 -4.476 1.010 117 HA LYS 20 HA LYS 20 -4.416 -6.004 2.884 118 HB2 LYS 20 1HB LYS 20 -2.660 -4.296 3.584 119 HB3 LYS 20 2HB LYS 20 -3.777 -3.060 3.018 120 HG2 LYS 20 1HG LYS 20 -5.468 -3.935 4.607 121 HG3 LYS 20 2HG LYS 20 -4.248 -5.048 5.230 122 HD2 LYS 20 1HD LYS 20 -2.815 -3.047 5.723 123 HD3 LYS 20 2HD LYS 20 -4.200 -2.034 5.306 124 HE2 LYS 20 1HE LYS 20 -5.477 -2.885 7.109 125 HE3 LYS 20 2HE LYS 20 -4.335 -4.197 7.393 126 HZ1 LYS 20 3HZ LYS 20 -4.329 -2.044 8.864 127 HZ2 LYS 20 1HZ LYS 20 -3.357 -1.447 7.615 128 HZ3 LYS 20 2HZ LYS 20 -2.886 -2.831 8.465 129 H ALA 21 H ALA 21 -6.522 -6.214 2.557 130 HA ALA 21 HA ALA 21 -7.927 -4.316 0.845 131 HB1 ALA 21 3HB ALA 21 -9.811 -5.980 1.079 132 HB2 ALA 21 1HB ALA 21 -8.353 -6.573 0.284 133 HB3 ALA 21 2HB ALA 21 -8.680 -7.006 1.962 134 H PHE 22 H PHE 22 -10.031 -3.475 1.484 135 HA PHE 22 HA PHE 22 -10.439 -3.266 4.380 136 HB2 PHE 22 1HB PHE 22 -10.511 -0.872 2.536 137 HB3 PHE 22 2HB PHE 22 -10.703 -0.871 4.286 138 HD1 PHE 22 HD1 PHE 22 -8.289 -1.487 1.554 139 HD2 PHE 22 HD2 PHE 22 -8.841 -0.754 5.711 140 HE1 PHE 22 HE1 PHE 22 -5.866 -1.148 1.813 141 HE2 PHE 22 HE2 PHE 22 -6.419 -0.413 5.976 142 HZ PHE 22 HZ PHE 22 -4.928 -0.610 4.025 143 H THR 23 H THR 23 -12.580 -2.672 5.002 144 HA THR 23 HA THR 23 -14.580 -3.714 3.218 145 HB THR 23 HB THR 23 -14.718 -4.211 5.605 146 HG1 THR 23 HG1 THR 23 -16.786 -4.274 5.202 147 HG21 THR 23 3HG2 THR 23 -14.933 -2.631 7.284 148 HG22 THR 23 1HG2 THR 23 -15.515 -1.385 6.181 149 HG23 THR 23 2HG2 THR 23 -13.809 -1.833 6.185 150 H GLN 24 H GLN 24 -13.742 -0.552 4.552 151 HA GLN 24 HA GLN 24 -15.752 0.664 2.776 152 HB2 GLN 24 1HB GLN 24 -14.589 1.598 5.395 153 HB3 GLN 24 2HB GLN 24 -15.460 2.680 4.316 154 HG2 GLN 24 1HG GLN 24 -16.595 0.148 5.479 155 HG3 GLN 24 2HG GLN 24 -16.848 1.763 6.140 156 HE21 GLN 24 1HE2 GLN 24 -18.813 -0.113 5.153 157 HE22 GLN 24 2HE2 GLN 24 -19.642 0.676 3.859 158 H LYS 25 H LYS 25 -15.170 2.334 1.423 159 HA LYS 25 HA LYS 25 -12.616 2.332 0.330 160 HB2 LYS 25 1HB LYS 25 -14.715 3.198 -0.749 161 HB3 LYS 25 2HB LYS 25 -14.557 4.645 0.237 162 HG2 LYS 25 1HG LYS 25 -12.188 4.788 -0.817 163 HG3 LYS 25 2HG LYS 25 -12.869 3.714 -2.040 164 HD2 LYS 25 1HD LYS 25 -13.204 5.887 -2.875 165 HD3 LYS 25 2HD LYS 25 -14.772 5.397 -2.229 166 HE2 LYS 25 1HE LYS 25 -14.421 6.688 -0.240 167 HE3 LYS 25 2HE LYS 25 -12.758 7.042 -0.705 168 HZ1 LYS 25 3HZ LYS 25 -13.404 8.617 -2.169 169 HZ2 LYS 25 1HZ LYS 25 -14.746 8.715 -1.144 170 HZ3 LYS 25 2HZ LYS 25 -14.843 7.829 -2.581 171 H ALA 26 H ALA 26 -14.068 4.703 2.553 172 HA ALA 26 HA ALA 26 -12.129 6.559 2.823 173 HB1 ALA 26 3HB ALA 26 -13.526 5.310 5.184 174 HB2 ALA 26 1HB ALA 26 -12.857 6.939 5.080 175 HB3 ALA 26 2HB ALA 26 -14.256 6.496 4.101 176 H HIS 27 H HIS 27 -12.138 3.407 4.471 177 HA HIS 27 HA HIS 27 -9.811 3.683 5.950 178 HB2 HIS 27 1HB HIS 27 -11.261 1.345 4.782 179 HB3 HIS 27 2HB HIS 27 -9.666 1.086 5.481 180 HD1 HIS 27 HD1 HIS 27 -12.564 0.118 6.581 181 HD2 HIS 27 HD2 HIS 27 -10.152 3.148 8.085 182 HE1 HIS 27 HE1 HIS 27 -13.247 0.390 8.986 183 H LEU 28 H LEU 28 -10.142 2.255 2.699 184 HA LEU 28 HA LEU 28 -7.414 1.823 2.254 185 HB2 LEU 28 1HB LEU 28 -9.013 0.753 0.857 186 HB3 LEU 28 2HB LEU 28 -9.702 2.297 0.359 187 HG LEU 28 HG LEU 28 -7.274 2.668 -0.616 188 HD11 LEU 28 1HD1 LEU 28 -6.284 0.630 -1.448 189 HD12 LEU 28 2HD1 LEU 28 -7.553 -0.332 -0.692 190 HD13 LEU 28 3HD1 LEU 28 -6.405 0.555 0.310 191 HD21 LEU 28 3HD2 LEU 28 -9.425 0.973 -1.877 192 HD22 LEU 28 1HD2 LEU 28 -8.083 1.707 -2.754 193 HD23 LEU 28 2HD2 LEU 28 -9.274 2.729 -1.950 194 H ALA 29 H ALA 29 -9.463 4.509 1.108 195 HA ALA 29 HA ALA 29 -7.576 6.032 -0.172 196 HB1 ALA 29 3HB ALA 29 -9.043 7.999 0.875 197 HB2 ALA 29 1HB ALA 29 -9.627 6.963 -0.427 198 HB3 ALA 29 2HB ALA 29 -10.105 6.639 1.240 199 H GLN 30 H GLN 30 -8.334 6.030 3.297 200 HA GLN 30 HA GLN 30 -6.408 8.028 3.949 201 HB2 GLN 30 1HB GLN 30 -8.312 7.677 5.398 202 HB3 GLN 30 2HB GLN 30 -7.850 6.001 5.665 203 HG2 GLN 30 1HG GLN 30 -6.035 6.589 7.005 204 HG3 GLN 30 2HG GLN 30 -6.035 8.255 6.430 205 HE21 GLN 30 1HE2 GLN 30 -6.126 9.090 8.506 206 HE22 GLN 30 2HE2 GLN 30 -7.557 9.014 9.471 207 H HIS 31 H HIS 31 -6.410 4.507 3.914 208 HA HIS 31 HA HIS 31 -4.006 4.059 5.270 209 HB2 HIS 31 1HB HIS 31 -5.179 2.104 4.950 210 HB3 HIS 31 2HB HIS 31 -5.632 2.520 3.300 211 HD1 HIS 31 HD1 HIS 31 -2.587 1.364 5.245 212 HD2 HIS 31 HD2 HIS 31 -4.114 1.327 1.381 213 HE1 HIS 31 HE1 HIS 31 -1.004 -0.062 3.910 214 H GLN 32 H GLN 32 -4.602 4.391 1.775 215 HA GLN 32 HA GLN 32 -2.207 3.985 0.656 216 HB2 GLN 32 1HB GLN 32 -4.029 6.337 0.137 217 HB3 GLN 32 2HB GLN 32 -2.692 5.884 -0.911 218 HG2 GLN 32 1HG GLN 32 -3.726 3.770 -1.402 219 HG3 GLN 32 2HG GLN 32 -5.014 4.092 -0.242 220 HE21 GLN 32 1HE2 GLN 32 -6.812 4.372 -1.355 221 HE22 GLN 32 2HE2 GLN 32 -7.000 5.388 -2.739 222 H LYS 33 H LYS 33 -3.083 6.931 2.425 223 HA LYS 33 HA LYS 33 -0.995 8.580 2.074 224 HB2 LYS 33 1HB LYS 33 -2.430 7.834 4.608 225 HB3 LYS 33 2HB LYS 33 -1.154 9.045 4.618 226 HG2 LYS 33 1HG LYS 33 -2.468 10.227 2.796 227 HG3 LYS 33 2HG LYS 33 -3.796 9.136 3.198 228 HD2 LYS 33 1HD LYS 33 -2.468 10.609 5.415 229 HD3 LYS 33 2HD LYS 33 -3.544 11.510 4.345 230 HE2 LYS 33 1HE LYS 33 -5.205 9.580 4.773 231 HE3 LYS 33 2HE LYS 33 -4.170 9.198 6.148 232 HZ1 LYS 33 3HZ LYS 33 -6.104 10.697 6.623 233 HZ2 LYS 33 1HZ LYS 33 -5.327 11.890 5.710 234 HZ3 LYS 33 2HZ LYS 33 -4.598 11.291 7.113 235 H THR 34 H THR 34 -0.948 5.827 4.331 236 HA THR 34 HA THR 34 1.556 6.047 5.391 237 HB THR 34 HB THR 34 1.603 3.616 5.640 238 HG1 THR 34 HG1 THR 34 0.109 2.331 4.566 239 HG21 THR 34 3HG2 THR 34 -1.267 3.977 6.029 240 HG22 THR 34 1HG2 THR 34 -0.307 5.318 6.653 241 HG23 THR 34 2HG2 THR 34 0.005 3.674 7.212 242 H HIS 35 H HIS 35 0.726 4.521 2.288 243 HA HIS 35 HA HIS 35 3.418 3.880 1.621 244 HB2 HIS 35 1HB HIS 35 0.958 4.114 -0.123 245 HB3 HIS 35 2HB HIS 35 2.501 3.447 -0.649 246 HD1 HIS 35 HD1 HIS 35 3.128 1.689 1.817 247 HD2 HIS 35 HD2 HIS 35 -0.564 1.851 -0.082 248 HE1 HIS 35 HE1 HIS 35 1.986 -0.479 2.382 249 H THR 36 H THR 36 4.557 4.760 -0.285 250 HA THR 36 HA THR 36 3.994 7.606 -0.758 251 HB THR 36 HB THR 36 5.762 7.519 0.925 252 HG1 THR 36 HG1 THR 36 7.164 8.863 -0.173 253 HG21 THR 36 3HG2 THR 36 7.735 6.319 -0.917 254 HG22 THR 36 1HG2 THR 36 6.563 5.209 -0.208 255 HG23 THR 36 2HG2 THR 36 7.594 6.187 0.836 256 H GLY 37 H GLY 37 4.636 8.412 -2.769 257 HA2 GLY 37 1HA GLY 37 4.297 7.020 -5.019 258 HA3 GLY 37 2HA GLY 37 5.469 8.327 -4.942 259 H GLU 38 H GLU 38 5.089 5.219 -5.857 260 HA GLU 38 HA GLU 38 7.570 4.105 -4.942 261 HB2 GLU 38 1HB GLU 38 5.342 2.938 -5.775 262 HB3 GLU 38 2HB GLU 38 6.148 3.027 -7.335 263 HG2 GLU 38 1HG GLU 38 8.142 1.947 -6.083 264 HG3 GLU 38 2HG GLU 38 6.922 1.496 -4.893 265 H LYS 39 H LYS 39 9.445 3.737 -6.131 266 HA LYS 39 HA LYS 39 9.685 5.237 -8.653 267 HB2 LYS 39 1HB LYS 39 11.642 5.160 -6.352 268 HB3 LYS 39 2HB LYS 39 12.025 5.807 -7.942 269 HG2 LYS 39 1HG LYS 39 9.864 6.835 -6.113 270 HG3 LYS 39 2HG LYS 39 11.456 7.564 -6.340 271 HD2 LYS 39 1HD LYS 39 10.913 7.811 -8.765 272 HD3 LYS 39 2HD LYS 39 9.277 7.256 -8.404 273 HE2 LYS 39 1HE LYS 39 8.983 9.527 -8.299 274 HE3 LYS 39 2HE LYS 39 9.364 9.174 -6.615 275 HZ1 LYS 39 3HZ LYS 39 11.275 10.303 -6.734 276 HZ2 LYS 39 1HZ LYS 39 10.616 11.020 -8.118 277 HZ3 LYS 39 2HZ LYS 39 11.669 9.705 -8.266 278 HA PRO 40 HA PRO 40 11.418 1.583 -10.369 279 HB2 PRO 40 1HB PRO 40 13.032 2.651 -12.273 280 HB3 PRO 40 2HB PRO 40 11.270 2.629 -12.409 281 HG2 PRO 40 1HG PRO 40 13.075 4.856 -11.545 282 HG3 PRO 40 2HG PRO 40 11.664 4.911 -12.618 283 HD2 PRO 40 1HD PRO 40 11.548 5.664 -10.020 284 HD3 PRO 40 2HD PRO 40 10.171 4.925 -10.862 285 H SER 41 H SER 41 13.145 3.654 -8.454 286 HA SER 41 HA SER 41 15.682 2.217 -8.817 287 HB2 SER 41 1HB SER 41 15.149 4.749 -7.244 288 HB3 SER 41 2HB SER 41 16.727 4.033 -7.572 289 HG SER 41 HG SER 41 16.302 4.390 -9.814 290 H GLY 42 H GLY 42 16.913 1.802 -6.748 291 HA2 GLY 42 1HA GLY 42 16.202 1.666 -4.215 292 HA3 GLY 42 2HA GLY 42 15.094 0.475 -4.880 293 HA PRO 43 HA PRO 43 19.549 -1.173 -4.097 294 HB2 PRO 43 1HB PRO 43 19.340 -2.029 -1.529 295 HB3 PRO 43 2HB PRO 43 19.930 -0.419 -1.960 296 HG2 PRO 43 1HG PRO 43 17.207 -1.255 -1.040 297 HG3 PRO 43 2HG PRO 43 18.165 0.157 -0.559 298 HD2 PRO 43 1HD PRO 43 16.147 0.309 -2.358 299 HD3 PRO 43 2HD PRO 43 17.582 1.350 -2.443 300 H SER 44 H SER 44 18.977 -2.839 -5.480 301 HA SER 44 HA SER 44 17.666 -5.142 -4.196 302 HB2 SER 44 1HB SER 44 17.328 -4.261 -7.074 303 HB3 SER 44 2HB SER 44 16.631 -5.714 -6.357 304 HG SER 44 HG SER 44 15.793 -3.118 -6.209 305 H SER 45 H SER 45 19.229 -6.585 -3.881 306 HA SER 45 HA SER 45 20.806 -7.464 -6.164 307 HB2 SER 45 1HB SER 45 22.050 -6.481 -3.587 308 HB3 SER 45 2HB SER 45 22.916 -7.411 -4.810 309 HG SER 45 HG SER 45 22.915 -5.723 -6.124 310 H GLY 46 H GLY 46 22.062 -9.475 -5.626 311 HA2 GLY 46 1HA GLY 46 22.030 -11.105 -3.536 312 HA3 GLY 46 2HA GLY 46 20.346 -11.212 -4.026 Start of MODEL 5 1 H1 GLY 1 H GLY 1 3.984 -19.287 -10.860 2 HA2 GLY 1 1HA GLY 1 3.620 -20.838 -13.344 3 HA3 GLY 1 2HA GLY 1 2.917 -21.261 -11.790 4 H SER 2 H SER 2 2.259 -19.978 -14.754 5 HA SER 2 HA SER 2 0.462 -17.885 -14.129 6 HB2 SER 2 1HB SER 2 -0.390 -18.239 -16.445 7 HB3 SER 2 2HB SER 2 1.366 -18.101 -16.372 8 HG SER 2 HG SER 2 0.011 -20.033 -17.458 9 H SER 3 H SER 3 -0.847 -18.624 -12.430 10 HA SER 3 HA SER 3 -2.911 -20.561 -13.250 11 HB2 SER 3 1HB SER 3 -1.416 -20.295 -10.672 12 HB3 SER 3 2HB SER 3 -3.084 -20.867 -10.632 13 HG SER 3 HG SER 3 -1.801 -22.652 -10.858 14 H GLY 4 H GLY 4 -2.352 -18.069 -10.750 15 HA2 GLY 4 1HA GLY 4 -3.695 -16.003 -10.910 16 HA3 GLY 4 2HA GLY 4 -5.048 -17.026 -11.368 17 H SER 5 H SER 5 -5.384 -15.271 -9.331 18 HA SER 5 HA SER 5 -5.625 -17.073 -7.027 19 HB2 SER 5 1HB SER 5 -4.904 -15.366 -5.481 20 HB3 SER 5 2HB SER 5 -3.655 -15.553 -6.712 21 HG SER 5 HG SER 5 -3.913 -13.426 -6.703 22 H SER 6 H SER 6 -7.688 -17.230 -6.489 23 HA SER 6 HA SER 6 -9.384 -14.839 -6.604 24 HB2 SER 6 1HB SER 6 -9.866 -16.068 -8.652 25 HB3 SER 6 2HB SER 6 -10.118 -17.552 -7.732 26 HG SER 6 HG SER 6 -11.945 -16.664 -6.828 27 H GLY 7 H GLY 7 -10.909 -14.686 -5.004 28 HA2 GLY 7 1HA GLY 7 -12.349 -15.853 -3.382 29 HA3 GLY 7 2HA GLY 7 -10.985 -16.915 -3.064 30 H THR 8 H THR 8 -10.609 -16.528 -0.950 31 HA THR 8 HA THR 8 -10.311 -15.331 1.005 32 HB THR 8 HB THR 8 -8.275 -13.865 0.859 33 HG1 THR 8 HG1 THR 8 -7.998 -13.072 -1.095 34 HG21 THR 8 3HG2 THR 8 -7.436 -15.893 1.332 35 HG22 THR 8 1HG2 THR 8 -6.973 -15.947 -0.368 36 HG23 THR 8 2HG2 THR 8 -8.479 -16.698 0.161 37 H GLY 9 H GLY 9 -12.498 -14.251 -0.389 38 HA2 GLY 9 1HA GLY 9 -13.841 -12.398 0.100 39 HA3 GLY 9 2HA GLY 9 -12.411 -11.532 0.642 40 H GLU 10 H GLU 10 -14.574 -10.673 -1.153 41 HA GLU 10 HA GLU 10 -12.902 -9.983 -3.474 42 HB2 GLU 10 1HB GLU 10 -15.857 -10.620 -3.496 43 HB3 GLU 10 2HB GLU 10 -14.954 -9.995 -4.869 44 HG2 GLU 10 1HG GLU 10 -13.513 -12.021 -4.757 45 HG3 GLU 10 2HG GLU 10 -14.589 -12.654 -3.513 46 H LYS 11 H LYS 11 -13.010 -8.421 -1.205 47 HA LYS 11 HA LYS 11 -14.993 -6.432 -1.198 48 HB2 LYS 11 1HB LYS 11 -12.113 -6.165 -0.316 49 HB3 LYS 11 2HB LYS 11 -13.453 -5.138 0.176 50 HG2 LYS 11 1HG LYS 11 -13.674 -8.052 0.691 51 HG3 LYS 11 2HG LYS 11 -12.570 -7.107 1.693 52 HD2 LYS 11 1HD LYS 11 -14.472 -6.862 2.925 53 HD3 LYS 11 2HD LYS 11 -14.679 -5.497 1.825 54 HE2 LYS 11 1HE LYS 11 -16.729 -6.462 1.599 55 HE3 LYS 11 2HE LYS 11 -15.863 -7.349 0.347 56 HZ1 LYS 11 3HZ LYS 11 -16.262 -9.232 1.412 57 HZ2 LYS 11 1HZ LYS 11 -17.189 -8.391 2.550 58 HZ3 LYS 11 2HZ LYS 11 -15.541 -8.650 2.828 59 HA PRO 12 HA PRO 12 -14.008 -3.982 -4.719 60 HB2 PRO 12 1HB PRO 12 -15.087 -1.622 -3.922 61 HB3 PRO 12 2HB PRO 12 -16.067 -3.004 -4.428 62 HG2 PRO 12 1HG PRO 12 -15.381 -2.077 -1.665 63 HG3 PRO 12 2HG PRO 12 -16.935 -2.647 -2.300 64 HD2 PRO 12 1HD PRO 12 -15.293 -4.225 -0.835 65 HD3 PRO 12 2HD PRO 12 -16.338 -4.866 -2.119 66 H TYR 13 H TYR 13 -12.510 -3.680 -1.777 67 HA TYR 13 HA TYR 13 -10.694 -1.611 -2.820 68 HB2 TYR 13 1HB TYR 13 -11.344 -1.951 0.108 69 HB3 TYR 13 2HB TYR 13 -10.439 -0.645 -0.650 70 HD1 TYR 13 HD1 TYR 13 -11.758 0.783 -2.396 71 HD2 TYR 13 HD2 TYR 13 -13.598 -1.654 0.567 72 HE1 TYR 13 HE1 TYR 13 -13.825 2.100 -2.605 73 HE2 TYR 13 HE2 TYR 13 -15.670 -0.345 0.365 74 HH TYR 13 HH TYR 13 -16.119 2.011 -2.147 75 H GLU 14 H GLU 14 -8.778 -2.481 -3.208 76 HA GLU 14 HA GLU 14 -7.602 -4.292 -1.239 77 HB2 GLU 14 1HB GLU 14 -8.710 -5.662 -3.033 78 HB3 GLU 14 2HB GLU 14 -7.601 -4.937 -4.189 79 HG2 GLU 14 1HG GLU 14 -5.798 -5.815 -2.476 80 HG3 GLU 14 2HG GLU 14 -7.089 -6.943 -2.065 81 H CYS 15 H CYS 15 -5.730 -3.418 -0.687 82 HA CYS 15 HA CYS 15 -4.423 -1.414 -2.198 83 HB2 CYS 15 1HB CYS 15 -4.336 -1.939 0.361 84 HB3 CYS 15 2HB CYS 15 -3.014 -3.013 -0.086 85 H LYS 16 H LYS 16 -2.104 -1.555 -2.863 86 HA LYS 16 HA LYS 16 -1.641 -4.096 -4.274 87 HB2 LYS 16 1HB LYS 16 -1.941 -1.843 -5.527 88 HB3 LYS 16 2HB LYS 16 -0.307 -1.498 -4.978 89 HG2 LYS 16 1HG LYS 16 -0.100 -2.377 -7.150 90 HG3 LYS 16 2HG LYS 16 0.387 -3.671 -6.052 91 HD2 LYS 16 1HD LYS 16 -1.000 -4.836 -7.452 92 HD3 LYS 16 2HD LYS 16 -2.165 -4.316 -6.232 93 HE2 LYS 16 1HE LYS 16 -3.124 -3.893 -8.374 94 HE3 LYS 16 2HE LYS 16 -2.668 -2.338 -7.679 95 HZ1 LYS 16 3HZ LYS 16 -1.771 -3.565 -10.086 96 HZ2 LYS 16 1HZ LYS 16 -0.465 -3.162 -9.089 97 HZ3 LYS 16 2HZ LYS 16 -1.571 -1.971 -9.556 98 H VAL 17 H VAL 17 0.067 -1.468 -2.591 99 HA VAL 17 HA VAL 17 2.613 -2.550 -2.537 100 HB VAL 17 HB VAL 17 1.255 -0.903 -0.400 101 HG11 VAL 17 1HG1 VAL 17 3.314 -2.174 0.323 102 HG12 VAL 17 2HG1 VAL 17 4.215 -1.206 -0.845 103 HG13 VAL 17 3HG1 VAL 17 3.389 -0.422 0.502 104 HG21 VAL 17 3HG2 VAL 17 3.175 0.036 -2.515 105 HG22 VAL 17 1HG2 VAL 17 1.428 0.026 -2.756 106 HG23 VAL 17 2HG2 VAL 17 2.135 1.005 -1.471 107 H CYS 18 H CYS 18 0.356 -2.667 0.225 108 HA CYS 18 HA CYS 18 1.787 -4.918 1.342 109 HB2 CYS 18 1HB CYS 18 0.213 -4.709 3.217 110 HB3 CYS 18 2HB CYS 18 0.948 -3.158 2.823 111 H SER 19 H SER 19 -1.101 -4.346 -0.493 112 HA SER 19 HA SER 19 -2.493 -5.797 -1.576 113 HB2 SER 19 1HB SER 19 -0.368 -7.207 -1.762 114 HB3 SER 19 2HB SER 19 -0.963 -8.096 -0.360 115 HG SER 19 HG SER 19 -1.813 -8.150 -2.976 116 H LYS 20 H LYS 20 -3.393 -4.706 0.697 117 HA LYS 20 HA LYS 20 -4.613 -6.895 2.234 118 HB2 LYS 20 1HB LYS 20 -3.300 -4.987 3.366 119 HB3 LYS 20 2HB LYS 20 -4.696 -3.985 2.992 120 HG2 LYS 20 1HG LYS 20 -6.053 -5.074 4.484 121 HG3 LYS 20 2HG LYS 20 -5.114 -6.567 4.415 122 HD2 LYS 20 1HD LYS 20 -4.697 -5.613 6.543 123 HD3 LYS 20 2HD LYS 20 -3.255 -5.306 5.572 124 HE2 LYS 20 1HE LYS 20 -3.781 -3.044 5.300 125 HE3 LYS 20 2HE LYS 20 -5.465 -3.287 5.759 126 HZ1 LYS 20 3HZ LYS 20 -4.382 -4.008 8.005 127 HZ2 LYS 20 1HZ LYS 20 -4.622 -2.370 7.656 128 HZ3 LYS 20 2HZ LYS 20 -3.090 -3.061 7.464 129 H ALA 21 H ALA 21 -6.877 -6.152 3.127 130 HA ALA 21 HA ALA 21 -8.424 -4.928 0.945 131 HB1 ALA 21 3HB ALA 21 -10.218 -6.670 1.511 132 HB2 ALA 21 1HB ALA 21 -8.831 -7.192 0.556 133 HB3 ALA 21 2HB ALA 21 -8.909 -7.570 2.277 134 H PHE 22 H PHE 22 -10.033 -3.580 1.566 135 HA PHE 22 HA PHE 22 -10.594 -3.388 4.452 136 HB2 PHE 22 1HB PHE 22 -10.358 -1.116 2.467 137 HB3 PHE 22 2HB PHE 22 -10.827 -0.945 4.156 138 HD1 PHE 22 HD1 PHE 22 -8.069 -1.615 1.851 139 HD2 PHE 22 HD2 PHE 22 -9.201 -1.129 5.925 140 HE1 PHE 22 HE1 PHE 22 -5.700 -1.390 2.479 141 HE2 PHE 22 HE2 PHE 22 -6.835 -0.903 6.559 142 HZ PHE 22 HZ PHE 22 -5.081 -1.033 4.835 143 H THR 23 H THR 23 -12.690 -2.439 4.989 144 HA THR 23 HA THR 23 -14.715 -3.145 2.971 145 HB THR 23 HB THR 23 -16.277 -3.487 4.823 146 HG1 THR 23 HG1 THR 23 -14.729 -1.974 6.185 147 HG21 THR 23 3HG2 THR 23 -14.950 -5.380 5.993 148 HG22 THR 23 1HG2 THR 23 -13.663 -4.955 4.864 149 HG23 THR 23 2HG2 THR 23 -15.230 -5.488 4.255 150 H GLN 24 H GLN 24 -13.269 -0.536 3.388 151 HA GLN 24 HA GLN 24 -15.525 1.163 3.003 152 HB2 GLN 24 1HB GLN 24 -14.172 1.110 5.651 153 HB3 GLN 24 2HB GLN 24 -14.594 2.685 4.993 154 HG2 GLN 24 1HG GLN 24 -16.926 1.507 4.615 155 HG3 GLN 24 2HG GLN 24 -16.348 0.484 5.929 156 HE21 GLN 24 1HE2 GLN 24 -16.523 1.200 7.951 157 HE22 GLN 24 2HE2 GLN 24 -16.998 2.798 8.406 158 H LYS 25 H LYS 25 -14.805 2.297 1.333 159 HA LYS 25 HA LYS 25 -12.239 2.661 0.478 160 HB2 LYS 25 1HB LYS 25 -13.031 4.458 -0.897 161 HB3 LYS 25 2HB LYS 25 -14.318 3.265 -0.776 162 HG2 LYS 25 1HG LYS 25 -15.539 5.141 -0.431 163 HG3 LYS 25 2HG LYS 25 -15.058 4.823 1.238 164 HD2 LYS 25 1HD LYS 25 -14.657 7.126 0.857 165 HD3 LYS 25 2HD LYS 25 -13.078 6.337 0.824 166 HE2 LYS 25 1HE LYS 25 -14.547 6.642 -1.742 167 HE3 LYS 25 2HE LYS 25 -13.819 8.081 -1.030 168 HZ1 LYS 25 3HZ LYS 25 -12.566 6.042 -2.485 169 HZ2 LYS 25 1HZ LYS 25 -11.943 6.015 -0.912 170 HZ3 LYS 25 2HZ LYS 25 -11.873 7.437 -1.825 171 H ALA 26 H ALA 26 -13.992 4.588 2.845 172 HA ALA 26 HA ALA 26 -12.232 6.736 3.087 173 HB1 ALA 26 3HB ALA 26 -13.261 7.186 5.190 174 HB2 ALA 26 1HB ALA 26 -14.506 6.551 4.114 175 HB3 ALA 26 2HB ALA 26 -13.796 5.513 5.351 176 H HIS 27 H HIS 27 -12.136 3.524 4.529 177 HA HIS 27 HA HIS 27 -9.905 4.115 6.235 178 HB2 HIS 27 1HB HIS 27 -11.453 1.658 5.522 179 HB3 HIS 27 2HB HIS 27 -9.877 1.478 6.288 180 HD1 HIS 27 HD1 HIS 27 -13.182 1.353 7.252 181 HD2 HIS 27 HD2 HIS 27 -9.946 3.535 8.678 182 HE1 HIS 27 HE1 HIS 27 -13.788 1.993 9.607 183 H LEU 28 H LEU 28 -10.364 2.620 3.079 184 HA LEU 28 HA LEU 28 -7.683 1.724 2.779 185 HB2 LEU 28 1HB LEU 28 -9.405 0.710 1.472 186 HB3 LEU 28 2HB LEU 28 -9.878 2.264 0.790 187 HG LEU 28 HG LEU 28 -7.544 2.302 -0.264 188 HD11 LEU 28 1HD1 LEU 28 -7.539 -0.633 -0.250 189 HD12 LEU 28 2HD1 LEU 28 -7.097 0.123 1.281 190 HD13 LEU 28 3HD1 LEU 28 -6.197 0.509 -0.185 191 HD21 LEU 28 3HD2 LEU 28 -9.999 1.316 -1.114 192 HD22 LEU 28 1HD2 LEU 28 -8.832 0.084 -1.596 193 HD23 LEU 28 2HD2 LEU 28 -8.624 1.752 -2.129 194 H ALA 29 H ALA 29 -9.400 4.393 1.142 195 HA ALA 29 HA ALA 29 -7.339 5.592 -0.162 196 HB1 ALA 29 3HB ALA 29 -9.894 6.255 0.199 197 HB2 ALA 29 1HB ALA 29 -9.153 7.444 1.271 198 HB3 ALA 29 2HB ALA 29 -8.700 7.388 -0.433 199 H GLN 30 H GLN 30 -8.134 5.938 3.267 200 HA GLN 30 HA GLN 30 -6.168 7.907 3.822 201 HB2 GLN 30 1HB GLN 30 -7.922 6.123 5.434 202 HB3 GLN 30 2HB GLN 30 -6.525 6.829 6.235 203 HG2 GLN 30 1HG GLN 30 -8.751 8.071 6.376 204 HG3 GLN 30 2HG GLN 30 -7.308 8.998 5.969 205 HE21 GLN 30 1HE2 GLN 30 -7.096 9.870 3.937 206 HE22 GLN 30 2HE2 GLN 30 -8.395 9.928 2.799 207 H HIS 31 H HIS 31 -6.141 4.416 3.712 208 HA HIS 31 HA HIS 31 -3.592 4.151 5.018 209 HB2 HIS 31 1HB HIS 31 -5.020 2.283 5.253 210 HB3 HIS 31 2HB HIS 31 -5.386 2.241 3.531 211 HD1 HIS 31 HD1 HIS 31 -2.624 1.414 5.962 212 HD2 HIS 31 HD2 HIS 31 -3.676 0.716 2.004 213 HE1 HIS 31 HE1 HIS 31 -0.998 -0.314 5.128 214 H GLN 32 H GLN 32 -4.717 3.610 1.675 215 HA GLN 32 HA GLN 32 -2.414 3.000 0.399 216 HB2 GLN 32 1HB GLN 32 -4.654 4.811 -0.481 217 HB3 GLN 32 2HB GLN 32 -3.325 4.390 -1.553 218 HG2 GLN 32 1HG GLN 32 -3.895 1.980 -1.148 219 HG3 GLN 32 2HG GLN 32 -5.347 2.542 -0.322 220 HE21 GLN 32 1HE2 GLN 32 -6.606 4.212 -1.662 221 HE22 GLN 32 2HE2 GLN 32 -6.850 3.802 -3.322 222 H LYS 33 H LYS 33 -3.244 6.079 1.788 223 HA LYS 33 HA LYS 33 -0.960 7.406 0.561 224 HB2 LYS 33 1HB LYS 33 -1.811 9.427 1.465 225 HB3 LYS 33 2HB LYS 33 -3.207 8.528 0.886 226 HG2 LYS 33 1HG LYS 33 -3.969 8.076 3.012 227 HG3 LYS 33 2HG LYS 33 -2.375 8.285 3.741 228 HD2 LYS 33 1HD LYS 33 -2.644 10.753 2.934 229 HD3 LYS 33 2HD LYS 33 -4.362 10.351 2.890 230 HE2 LYS 33 1HE LYS 33 -4.500 10.102 5.164 231 HE3 LYS 33 2HE LYS 33 -2.805 9.647 5.326 232 HZ1 LYS 33 3HZ LYS 33 -4.015 12.305 5.232 233 HZ2 LYS 33 1HZ LYS 33 -2.485 12.123 4.533 234 HZ3 LYS 33 2HZ LYS 33 -2.721 11.739 6.163 235 H THR 34 H THR 34 -1.951 6.045 3.620 236 HA THR 34 HA THR 34 -0.042 7.202 5.305 237 HB THR 34 HB THR 34 -2.066 5.644 5.862 238 HG1 THR 34 HG1 THR 34 -0.655 4.934 7.801 239 HG21 THR 34 3HG2 THR 34 -1.795 3.409 5.798 240 HG22 THR 34 1HG2 THR 34 -0.111 3.498 6.311 241 HG23 THR 34 2HG2 THR 34 -0.533 3.767 4.620 242 H HIS 35 H HIS 35 0.257 4.741 2.894 243 HA HIS 35 HA HIS 35 2.528 3.382 3.776 244 HB2 HIS 35 1HB HIS 35 1.253 3.868 1.132 245 HB3 HIS 35 2HB HIS 35 2.911 3.274 1.131 246 HD1 HIS 35 HD1 HIS 35 2.586 1.381 3.632 247 HD2 HIS 35 HD2 HIS 35 0.049 1.522 0.345 248 HE1 HIS 35 HE1 HIS 35 1.452 -0.862 3.562 249 H THR 36 H THR 36 4.719 3.685 3.498 250 HA THR 36 HA THR 36 5.522 6.448 2.914 251 HB THR 36 HB THR 36 7.174 4.316 4.276 252 HG1 THR 36 HG1 THR 36 6.453 5.173 6.204 253 HG21 THR 36 3HG2 THR 36 7.824 6.855 3.265 254 HG22 THR 36 1HG2 THR 36 8.809 5.831 4.309 255 HG23 THR 36 2HG2 THR 36 7.734 7.037 5.016 256 H GLY 37 H GLY 37 6.956 6.947 1.329 257 HA2 GLY 37 1HA GLY 37 8.933 5.588 0.140 258 HA3 GLY 37 2HA GLY 37 7.522 4.866 -0.619 259 H GLU 38 H GLU 38 6.751 5.805 -2.396 260 HA GLU 38 HA GLU 38 7.775 8.474 -3.079 261 HB2 GLU 38 1HB GLU 38 8.079 6.306 -4.551 262 HB3 GLU 38 2HB GLU 38 6.448 6.694 -5.080 263 HG2 GLU 38 1HG GLU 38 8.288 7.579 -6.523 264 HG3 GLU 38 2HG GLU 38 7.127 8.779 -5.959 265 H LYS 39 H LYS 39 6.302 9.844 -2.179 266 HA LYS 39 HA LYS 39 3.490 9.507 -2.991 267 HB2 LYS 39 1HB LYS 39 3.753 9.458 -0.580 268 HB3 LYS 39 2HB LYS 39 4.668 10.959 -0.615 269 HG2 LYS 39 1HG LYS 39 2.459 11.854 -1.763 270 HG3 LYS 39 2HG LYS 39 1.749 10.505 -0.873 271 HD2 LYS 39 1HD LYS 39 3.617 12.312 0.574 272 HD3 LYS 39 2HD LYS 39 1.999 12.913 0.204 273 HE2 LYS 39 1HE LYS 39 2.556 10.302 1.604 274 HE3 LYS 39 2HE LYS 39 2.217 11.817 2.440 275 HZ1 LYS 39 3HZ LYS 39 0.052 11.578 2.082 276 HZ2 LYS 39 1HZ LYS 39 0.372 9.995 1.577 277 HZ3 LYS 39 2HZ LYS 39 0.267 11.241 0.438 278 HA PRO 40 HA PRO 40 4.991 13.137 -5.392 279 HB2 PRO 40 1HB PRO 40 3.457 12.599 -7.566 280 HB3 PRO 40 2HB PRO 40 5.043 11.864 -7.304 281 HG2 PRO 40 1HG PRO 40 2.322 10.732 -6.781 282 HG3 PRO 40 2HG PRO 40 3.738 9.950 -7.506 283 HD2 PRO 40 1HD PRO 40 3.028 9.570 -4.921 284 HD3 PRO 40 2HD PRO 40 4.720 9.546 -5.460 285 H SER 41 H SER 41 3.963 15.082 -5.727 286 HA SER 41 HA SER 41 1.447 15.444 -4.387 287 HB2 SER 41 1HB SER 41 3.196 17.403 -5.895 288 HB3 SER 41 2HB SER 41 1.776 17.844 -4.946 289 HG SER 41 HG SER 41 3.349 16.325 -3.435 290 H GLY 42 H GLY 42 -0.533 15.772 -5.249 291 HA2 GLY 42 1HA GLY 42 -1.071 16.652 -7.862 292 HA3 GLY 42 2HA GLY 42 -1.096 14.895 -7.857 293 HA PRO 43 HA PRO 43 -4.708 16.634 -5.080 294 HB2 PRO 43 1HB PRO 43 -5.615 19.054 -5.910 295 HB3 PRO 43 2HB PRO 43 -4.379 18.869 -4.661 296 HG2 PRO 43 1HG PRO 43 -4.054 19.501 -7.569 297 HG3 PRO 43 2HG PRO 43 -3.232 20.216 -6.170 298 HD2 PRO 43 1HD PRO 43 -2.077 18.327 -7.728 299 HD3 PRO 43 2HD PRO 43 -1.743 18.466 -5.990 300 H SER 44 H SER 44 -6.563 15.694 -5.650 301 HA SER 44 HA SER 44 -8.127 14.697 -6.992 302 HB2 SER 44 1HB SER 44 -9.437 16.317 -8.347 303 HB3 SER 44 2HB SER 44 -9.121 16.903 -6.714 304 HG SER 44 HG SER 44 -8.547 18.101 -8.981 305 H SER 45 H SER 45 -5.545 14.198 -7.912 306 HA SER 45 HA SER 45 -5.069 14.774 -10.602 307 HB2 SER 45 1HB SER 45 -3.481 12.970 -10.568 308 HB3 SER 45 2HB SER 45 -3.439 13.742 -8.983 309 HG SER 45 HG SER 45 -4.156 11.967 -8.106 310 H GLY 46 H GLY 46 -5.206 13.319 -12.461 311 HA2 GLY 46 1HA GLY 46 -7.115 11.152 -12.371 312 HA3 GLY 46 2HA GLY 46 -7.706 12.586 -13.198 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.261 -24.812 -17.176 2 HA2 GLY 1 1HA GLY 1 -4.851 -22.508 -17.544 3 HA3 GLY 1 2HA GLY 1 -5.995 -22.507 -18.878 4 H SER 2 H SER 2 -6.439 -23.649 -15.550 5 HA SER 2 HA SER 2 -8.453 -21.532 -15.178 6 HB2 SER 2 1HB SER 2 -8.713 -24.376 -14.179 7 HB3 SER 2 2HB SER 2 -9.918 -23.095 -14.055 8 HG SER 2 HG SER 2 -9.079 -24.538 -16.319 9 H SER 3 H SER 3 -7.158 -20.240 -13.915 10 HA SER 3 HA SER 3 -6.229 -21.414 -11.376 11 HB2 SER 3 1HB SER 3 -4.320 -20.632 -12.575 12 HB3 SER 3 2HB SER 3 -5.123 -19.121 -13.001 13 HG SER 3 HG SER 3 -3.814 -19.834 -10.690 14 H GLY 4 H GLY 4 -8.213 -21.085 -10.314 15 HA2 GLY 4 1HA GLY 4 -9.154 -18.318 -10.074 16 HA3 GLY 4 2HA GLY 4 -10.030 -19.754 -9.566 17 H SER 5 H SER 5 -10.121 -17.885 -7.773 18 HA SER 5 HA SER 5 -8.166 -18.710 -5.737 19 HB2 SER 5 1HB SER 5 -9.143 -15.892 -6.251 20 HB3 SER 5 2HB SER 5 -8.189 -16.381 -4.850 21 HG SER 5 HG SER 5 -6.857 -17.283 -6.873 22 H SER 6 H SER 6 -8.924 -18.744 -3.596 23 HA SER 6 HA SER 6 -11.551 -19.606 -3.237 24 HB2 SER 6 1HB SER 6 -9.538 -19.999 -1.714 25 HB3 SER 6 2HB SER 6 -9.867 -18.403 -1.039 26 HG SER 6 HG SER 6 -12.087 -19.291 -0.724 27 H GLY 7 H GLY 7 -13.337 -18.655 -2.151 28 HA2 GLY 7 1HA GLY 7 -13.381 -15.710 -2.377 29 HA3 GLY 7 2HA GLY 7 -14.773 -16.740 -2.671 30 H THR 8 H THR 8 -12.570 -15.571 -0.175 31 HA THR 8 HA THR 8 -14.611 -16.223 1.847 32 HB THR 8 HB THR 8 -12.801 -16.053 3.523 33 HG1 THR 8 HG1 THR 8 -11.000 -15.139 2.921 34 HG21 THR 8 3HG2 THR 8 -11.882 -17.959 1.395 35 HG22 THR 8 1HG2 THR 8 -13.418 -18.198 2.226 36 HG23 THR 8 2HG2 THR 8 -11.913 -18.180 3.144 37 H GLY 9 H GLY 9 -15.863 -14.360 1.595 38 HA2 GLY 9 1HA GLY 9 -16.467 -12.163 1.894 39 HA3 GLY 9 2HA GLY 9 -15.294 -12.188 3.203 40 H GLU 10 H GLU 10 -15.548 -11.791 -0.318 41 HA GLU 10 HA GLU 10 -12.992 -10.491 -0.498 42 HB2 GLU 10 1HB GLU 10 -13.432 -10.281 -2.830 43 HB3 GLU 10 2HB GLU 10 -14.037 -11.856 -2.336 44 HG2 GLU 10 1HG GLU 10 -15.772 -9.416 -2.609 45 HG3 GLU 10 2HG GLU 10 -15.515 -10.589 -3.899 46 H LYS 11 H LYS 11 -12.596 -8.315 -0.993 47 HA LYS 11 HA LYS 11 -14.808 -6.488 -0.313 48 HB2 LYS 11 1HB LYS 11 -11.859 -6.292 0.296 49 HB3 LYS 11 2HB LYS 11 -12.956 -4.926 0.446 50 HG2 LYS 11 1HG LYS 11 -12.967 -5.686 2.592 51 HG3 LYS 11 2HG LYS 11 -14.321 -6.609 1.937 52 HD2 LYS 11 1HD LYS 11 -13.115 -8.581 1.874 53 HD3 LYS 11 2HD LYS 11 -11.559 -7.748 1.827 54 HE2 LYS 11 1HE LYS 11 -12.051 -6.974 4.183 55 HE3 LYS 11 2HE LYS 11 -13.402 -8.107 4.180 56 HZ1 LYS 11 3HZ LYS 11 -10.528 -8.641 4.238 57 HZ2 LYS 11 1HZ LYS 11 -11.511 -9.742 3.410 58 HZ3 LYS 11 2HZ LYS 11 -11.790 -9.425 5.048 59 HA PRO 12 HA PRO 12 -14.305 -4.723 -4.322 60 HB2 PRO 12 1HB PRO 12 -15.523 -2.340 -3.866 61 HB3 PRO 12 2HB PRO 12 -16.414 -3.858 -4.033 62 HG2 PRO 12 1HG PRO 12 -15.616 -2.395 -1.547 63 HG3 PRO 12 2HG PRO 12 -17.157 -3.182 -1.936 64 HD2 PRO 12 1HD PRO 12 -15.286 -4.342 -0.360 65 HD3 PRO 12 2HD PRO 12 -16.360 -5.281 -1.417 66 H TYR 13 H TYR 13 -12.773 -3.610 -1.530 67 HA TYR 13 HA TYR 13 -11.114 -1.772 -3.124 68 HB2 TYR 13 1HB TYR 13 -11.794 -1.410 -0.200 69 HB3 TYR 13 2HB TYR 13 -10.866 -0.310 -1.214 70 HD1 TYR 13 HD1 TYR 13 -12.062 0.809 -3.168 71 HD2 TYR 13 HD2 TYR 13 -14.125 -1.210 -0.042 72 HE1 TYR 13 HE1 TYR 13 -14.124 2.009 -3.762 73 HE2 TYR 13 HE2 TYR 13 -16.194 -0.017 -0.629 74 HH TYR 13 HH TYR 13 -16.418 2.620 -2.181 75 H GLU 14 H GLU 14 -9.245 -2.798 -3.419 76 HA GLU 14 HA GLU 14 -7.949 -4.007 -1.069 77 HB2 GLU 14 1HB GLU 14 -8.898 -5.610 -2.898 78 HB3 GLU 14 2HB GLU 14 -7.497 -5.094 -3.826 79 HG2 GLU 14 1HG GLU 14 -6.000 -6.080 -2.368 80 HG3 GLU 14 2HG GLU 14 -7.159 -6.112 -1.040 81 H CYS 15 H CYS 15 -5.624 -4.006 -1.112 82 HA CYS 15 HA CYS 15 -4.563 -1.734 -2.640 83 HB2 CYS 15 1HB CYS 15 -4.391 -1.596 -0.181 84 HB3 CYS 15 2HB CYS 15 -3.451 -3.084 -0.171 85 H LYS 16 H LYS 16 -2.280 -1.894 -3.346 86 HA LYS 16 HA LYS 16 -1.708 -4.606 -4.342 87 HB2 LYS 16 1HB LYS 16 -1.002 -1.910 -5.512 88 HB3 LYS 16 2HB LYS 16 -0.434 -3.446 -6.153 89 HG2 LYS 16 1HG LYS 16 -3.354 -2.821 -5.856 90 HG3 LYS 16 2HG LYS 16 -2.431 -2.384 -7.296 91 HD2 LYS 16 1HD LYS 16 -2.405 -5.191 -6.241 92 HD3 LYS 16 2HD LYS 16 -3.719 -4.624 -7.274 93 HE2 LYS 16 1HE LYS 16 -0.871 -4.222 -8.097 94 HE3 LYS 16 2HE LYS 16 -1.649 -5.785 -8.338 95 HZ1 LYS 16 3HZ LYS 16 -2.705 -3.206 -9.364 96 HZ2 LYS 16 1HZ LYS 16 -3.328 -4.748 -9.676 97 HZ3 LYS 16 2HZ LYS 16 -1.812 -4.310 -10.282 98 H VAL 17 H VAL 17 -0.423 -1.827 -2.678 99 HA VAL 17 HA VAL 17 2.312 -2.568 -2.741 100 HB VAL 17 HB VAL 17 0.844 -0.859 -0.727 101 HG11 VAL 17 1HG1 VAL 17 3.799 -1.017 -1.309 102 HG12 VAL 17 2HG1 VAL 17 3.012 0.025 -0.122 103 HG13 VAL 17 3HG1 VAL 17 3.004 -1.725 0.097 104 HG21 VAL 17 3HG2 VAL 17 0.696 -0.064 -3.065 105 HG22 VAL 17 1HG2 VAL 17 1.608 1.029 -2.025 106 HG23 VAL 17 2HG2 VAL 17 2.458 -0.039 -3.141 107 H CYS 18 H CYS 18 -0.127 -2.856 -0.152 108 HA CYS 18 HA CYS 18 1.517 -4.999 1.027 109 HB2 CYS 18 1HB CYS 18 0.358 -4.445 3.171 110 HB3 CYS 18 2HB CYS 18 1.358 -3.137 2.547 111 H SER 19 H SER 19 -0.655 -5.058 -1.080 112 HA SER 19 HA SER 19 -2.635 -6.146 -1.543 113 HB2 SER 19 1HB SER 19 -0.899 -8.138 -0.095 114 HB3 SER 19 2HB SER 19 -2.453 -8.605 -0.786 115 HG SER 19 HG SER 19 -0.130 -7.690 -2.094 116 H LYS 20 H LYS 20 -2.788 -4.549 0.864 117 HA LYS 20 HA LYS 20 -4.241 -6.084 2.824 118 HB2 LYS 20 1HB LYS 20 -2.836 -4.123 3.428 119 HB3 LYS 20 2HB LYS 20 -3.961 -3.084 2.562 120 HG2 LYS 20 1HG LYS 20 -5.731 -3.647 4.101 121 HG3 LYS 20 2HG LYS 20 -4.683 -4.803 4.927 122 HD2 LYS 20 1HD LYS 20 -3.218 -3.020 5.646 123 HD3 LYS 20 2HD LYS 20 -4.150 -1.840 4.721 124 HE2 LYS 20 1HE LYS 20 -5.010 -1.531 6.831 125 HE3 LYS 20 2HE LYS 20 -6.140 -2.714 6.173 126 HZ1 LYS 20 3HZ LYS 20 -5.360 -3.238 8.442 127 HZ2 LYS 20 1HZ LYS 20 -3.786 -3.406 7.845 128 HZ3 LYS 20 2HZ LYS 20 -5.004 -4.457 7.324 129 H ALA 21 H ALA 21 -6.448 -5.842 3.348 130 HA ALA 21 HA ALA 21 -8.104 -4.817 1.134 131 HB1 ALA 21 3HB ALA 21 -9.802 -6.526 2.019 132 HB2 ALA 21 1HB ALA 21 -8.420 -7.127 1.101 133 HB3 ALA 21 2HB ALA 21 -8.430 -7.246 2.861 134 H PHE 22 H PHE 22 -10.126 -3.862 1.677 135 HA PHE 22 HA PHE 22 -10.508 -3.137 4.488 136 HB2 PHE 22 1HB PHE 22 -10.727 -1.041 2.340 137 HB3 PHE 22 2HB PHE 22 -10.627 -0.818 4.083 138 HD1 PHE 22 HD1 PHE 22 -8.659 -2.064 1.184 139 HD2 PHE 22 HD2 PHE 22 -8.594 -0.320 5.067 140 HE1 PHE 22 HE1 PHE 22 -6.226 -1.748 0.998 141 HE2 PHE 22 HE2 PHE 22 -6.161 -0.001 4.886 142 HZ PHE 22 HZ PHE 22 -4.974 -0.714 2.850 143 H THR 23 H THR 23 -12.643 -2.487 5.020 144 HA THR 23 HA THR 23 -14.644 -3.717 3.323 145 HB THR 23 HB THR 23 -14.793 -4.170 5.693 146 HG1 THR 23 HG1 THR 23 -16.888 -2.374 4.978 147 HG21 THR 23 3HG2 THR 23 -14.229 -2.618 7.187 148 HG22 THR 23 1HG2 THR 23 -15.694 -1.724 6.781 149 HG23 THR 23 2HG2 THR 23 -14.188 -1.383 5.929 150 H GLN 24 H GLN 24 -13.555 -0.534 4.167 151 HA GLN 24 HA GLN 24 -15.676 0.598 2.470 152 HB2 GLN 24 1HB GLN 24 -14.619 1.629 5.094 153 HB3 GLN 24 2HB GLN 24 -15.443 2.678 3.947 154 HG2 GLN 24 1HG GLN 24 -17.419 1.228 4.064 155 HG3 GLN 24 2HG GLN 24 -16.592 0.222 5.252 156 HE21 GLN 24 1HE2 GLN 24 -16.134 1.103 7.310 157 HE22 GLN 24 2HE2 GLN 24 -17.044 2.434 7.930 158 H LYS 25 H LYS 25 -15.100 2.365 1.178 159 HA LYS 25 HA LYS 25 -12.501 2.328 0.128 160 HB2 LYS 25 1HB LYS 25 -13.185 4.336 -1.130 161 HB3 LYS 25 2HB LYS 25 -14.403 3.069 -1.191 162 HG2 LYS 25 1HG LYS 25 -15.808 4.215 0.324 163 HG3 LYS 25 2HG LYS 25 -14.531 5.354 0.755 164 HD2 LYS 25 1HD LYS 25 -14.687 6.483 -1.282 165 HD3 LYS 25 2HD LYS 25 -15.524 5.142 -2.067 166 HE2 LYS 25 1HE LYS 25 -17.464 5.564 -0.562 167 HE3 LYS 25 2HE LYS 25 -16.627 6.994 0.041 168 HZ1 LYS 25 3HZ LYS 25 -18.308 6.930 -2.085 169 HZ2 LYS 25 1HZ LYS 25 -16.786 6.903 -2.823 170 HZ3 LYS 25 2HZ LYS 25 -17.188 8.155 -1.759 171 H ALA 26 H ALA 26 -14.047 4.495 2.452 172 HA ALA 26 HA ALA 26 -12.155 6.488 2.656 173 HB1 ALA 26 3HB ALA 26 -12.929 6.190 5.256 174 HB2 ALA 26 1HB ALA 26 -13.829 7.072 4.022 175 HB3 ALA 26 2HB ALA 26 -14.243 5.397 4.388 176 H HIS 27 H HIS 27 -12.229 3.391 4.407 177 HA HIS 27 HA HIS 27 -9.960 3.742 5.968 178 HB2 HIS 27 1HB HIS 27 -11.720 1.801 5.878 179 HB3 HIS 27 2HB HIS 27 -10.566 1.062 4.772 180 HD1 HIS 27 HD1 HIS 27 -10.173 -0.822 6.546 181 HD2 HIS 27 HD2 HIS 27 -9.054 2.987 7.770 182 HE1 HIS 27 HE1 HIS 27 -8.750 -1.164 8.591 183 H LEU 28 H LEU 28 -10.241 2.469 2.671 184 HA LEU 28 HA LEU 28 -7.493 1.862 2.360 185 HB2 LEU 28 1HB LEU 28 -9.045 0.809 0.913 186 HB3 LEU 28 2HB LEU 28 -9.717 2.354 0.397 187 HG LEU 28 HG LEU 28 -7.287 2.731 -0.538 188 HD11 LEU 28 1HD1 LEU 28 -6.545 0.448 -1.477 189 HD12 LEU 28 2HD1 LEU 28 -7.471 -0.229 -0.138 190 HD13 LEU 28 3HD1 LEU 28 -6.123 0.860 0.186 191 HD21 LEU 28 3HD2 LEU 28 -9.049 0.807 -2.018 192 HD22 LEU 28 1HD2 LEU 28 -8.072 2.130 -2.654 193 HD23 LEU 28 2HD2 LEU 28 -9.537 2.478 -1.737 194 H ALA 29 H ALA 29 -9.440 4.602 1.174 195 HA ALA 29 HA ALA 29 -7.471 6.061 -0.075 196 HB1 ALA 29 3HB ALA 29 -9.119 7.913 1.300 197 HB2 ALA 29 1HB ALA 29 -9.203 7.408 -0.388 198 HB3 ALA 29 2HB ALA 29 -10.118 6.534 0.841 199 H GLN 30 H GLN 30 -8.303 6.031 3.370 200 HA GLN 30 HA GLN 30 -6.415 8.030 4.103 201 HB2 GLN 30 1HB GLN 30 -8.353 7.559 5.500 202 HB3 GLN 30 2HB GLN 30 -7.790 5.914 5.767 203 HG2 GLN 30 1HG GLN 30 -5.904 6.697 7.017 204 HG3 GLN 30 2HG GLN 30 -6.283 8.373 6.622 205 HE21 GLN 30 1HE2 GLN 30 -5.975 7.260 9.229 206 HE22 GLN 30 2HE2 GLN 30 -7.483 7.448 10.050 207 H HIS 31 H HIS 31 -6.344 4.515 3.951 208 HA HIS 31 HA HIS 31 -3.898 4.132 5.298 209 HB2 HIS 31 1HB HIS 31 -5.022 2.142 5.087 210 HB3 HIS 31 2HB HIS 31 -5.595 2.514 3.464 211 HD1 HIS 31 HD1 HIS 31 -2.372 1.505 5.202 212 HD2 HIS 31 HD2 HIS 31 -4.219 1.256 1.489 213 HE1 HIS 31 HE1 HIS 31 -0.864 0.065 3.796 214 H GLN 32 H GLN 32 -4.625 4.328 1.817 215 HA GLN 32 HA GLN 32 -2.281 3.923 0.612 216 HB2 GLN 32 1HB GLN 32 -4.329 6.058 0.147 217 HB3 GLN 32 2HB GLN 32 -2.866 6.032 -0.829 218 HG2 GLN 32 1HG GLN 32 -3.414 4.030 -1.839 219 HG3 GLN 32 2HG GLN 32 -4.517 3.563 -0.546 220 HE21 GLN 32 1HE2 GLN 32 -6.161 3.127 -2.022 221 HE22 GLN 32 2HE2 GLN 32 -7.037 4.387 -2.815 222 H LYS 33 H LYS 33 -3.078 6.856 2.424 223 HA LYS 33 HA LYS 33 -0.951 8.475 1.910 224 HB2 LYS 33 1HB LYS 33 -2.460 7.939 4.449 225 HB3 LYS 33 2HB LYS 33 -1.123 9.081 4.436 226 HG2 LYS 33 1HG LYS 33 -3.085 10.349 4.136 227 HG3 LYS 33 2HG LYS 33 -2.307 10.266 2.553 228 HD2 LYS 33 1HD LYS 33 -3.828 8.496 1.874 229 HD3 LYS 33 2HD LYS 33 -4.574 8.498 3.474 230 HE2 LYS 33 1HE LYS 33 -4.478 11.049 1.943 231 HE3 LYS 33 2HE LYS 33 -5.638 9.817 1.450 232 HZ1 LYS 33 3HZ LYS 33 -6.170 11.634 3.292 233 HZ2 LYS 33 1HZ LYS 33 -5.523 10.433 4.293 234 HZ3 LYS 33 2HZ LYS 33 -6.858 10.089 3.313 235 H THR 34 H THR 34 -1.007 5.928 4.404 236 HA THR 34 HA THR 34 1.502 6.140 5.440 237 HB THR 34 HB THR 34 -0.249 4.439 6.082 238 HG1 THR 34 HG1 THR 34 2.430 3.530 5.713 239 HG21 THR 34 3HG2 THR 34 0.989 2.449 4.289 240 HG22 THR 34 1HG2 THR 34 -0.108 3.597 3.522 241 HG23 THR 34 2HG2 THR 34 -0.676 2.587 4.852 242 H HIS 35 H HIS 35 0.618 4.912 2.287 243 HA HIS 35 HA HIS 35 3.268 3.901 1.729 244 HB2 HIS 35 1HB HIS 35 0.774 4.179 0.051 245 HB3 HIS 35 2HB HIS 35 2.298 3.576 -0.595 246 HD1 HIS 35 HD1 HIS 35 3.032 1.840 1.951 247 HD2 HIS 35 HD2 HIS 35 -0.587 1.783 -0.089 248 HE1 HIS 35 HE1 HIS 35 2.011 -0.402 2.456 249 H THR 36 H THR 36 4.700 4.737 0.174 250 HA THR 36 HA THR 36 4.554 7.638 -0.090 251 HB THR 36 HB THR 36 6.904 7.472 -0.868 252 HG1 THR 36 HG1 THR 36 6.789 5.341 -1.737 253 HG21 THR 36 3HG2 THR 36 7.790 7.234 1.249 254 HG22 THR 36 1HG2 THR 36 6.752 5.866 1.647 255 HG23 THR 36 2HG2 THR 36 6.088 7.499 1.622 256 H GLY 37 H GLY 37 4.858 8.722 -2.085 257 HA2 GLY 37 1HA GLY 37 4.999 7.330 -4.571 258 HA3 GLY 37 2HA GLY 37 3.352 7.833 -4.220 259 H GLU 38 H GLU 38 6.500 9.410 -3.685 260 HA GLU 38 HA GLU 38 5.445 11.754 -5.118 261 HB2 GLU 38 1HB GLU 38 6.033 12.088 -2.725 262 HB3 GLU 38 2HB GLU 38 7.693 11.646 -3.100 263 HG2 GLU 38 1HG GLU 38 8.067 13.587 -4.321 264 HG3 GLU 38 2HG GLU 38 6.345 13.901 -4.530 265 H LYS 39 H LYS 39 6.115 11.703 -7.168 266 HA LYS 39 HA LYS 39 8.932 11.017 -7.696 267 HB2 LYS 39 1HB LYS 39 6.467 10.705 -9.406 268 HB3 LYS 39 2HB LYS 39 8.095 10.596 -10.065 269 HG2 LYS 39 1HG LYS 39 7.563 8.388 -9.690 270 HG3 LYS 39 2HG LYS 39 8.456 8.809 -8.227 271 HD2 LYS 39 1HD LYS 39 6.488 8.966 -6.945 272 HD3 LYS 39 2HD LYS 39 5.460 9.009 -8.380 273 HE2 LYS 39 1HE LYS 39 7.149 6.641 -7.590 274 HE3 LYS 39 2HE LYS 39 5.455 6.832 -7.138 275 HZ1 LYS 39 3HZ LYS 39 5.892 7.210 -9.941 276 HZ2 LYS 39 1HZ LYS 39 4.796 6.194 -9.149 277 HZ3 LYS 39 2HZ LYS 39 6.383 5.677 -9.423 278 HA PRO 40 HA PRO 40 8.577 15.526 -8.570 279 HB2 PRO 40 1HB PRO 40 11.079 16.108 -7.690 280 HB3 PRO 40 2HB PRO 40 9.681 16.007 -6.613 281 HG2 PRO 40 1HG PRO 40 11.805 13.969 -7.157 282 HG3 PRO 40 2HG PRO 40 11.080 14.443 -5.610 283 HD2 PRO 40 1HD PRO 40 10.339 12.204 -6.940 284 HD3 PRO 40 2HD PRO 40 9.207 13.142 -5.945 285 H SER 41 H SER 41 9.359 16.614 -10.328 286 HA SER 41 HA SER 41 10.134 16.711 -12.489 287 HB2 SER 41 1HB SER 41 12.622 16.709 -12.594 288 HB3 SER 41 2HB SER 41 11.994 17.675 -11.259 289 HG SER 41 HG SER 41 13.379 15.252 -11.216 290 H GLY 42 H GLY 42 9.012 14.182 -11.924 291 HA2 GLY 42 1HA GLY 42 10.189 12.655 -14.043 292 HA3 GLY 42 2HA GLY 42 10.483 11.932 -12.469 293 HA PRO 43 HA PRO 43 5.683 11.909 -13.123 294 HB2 PRO 43 1HB PRO 43 4.812 12.508 -15.624 295 HB3 PRO 43 2HB PRO 43 5.014 13.726 -14.359 296 HG2 PRO 43 1HG PRO 43 6.843 13.025 -16.623 297 HG3 PRO 43 2HG PRO 43 6.384 14.625 -16.009 298 HD2 PRO 43 1HD PRO 43 8.739 13.445 -15.382 299 HD3 PRO 43 2HD PRO 43 7.883 14.523 -14.261 300 H SER 44 H SER 44 8.152 10.529 -14.819 301 HA SER 44 HA SER 44 6.857 8.759 -16.581 302 HB2 SER 44 1HB SER 44 8.929 7.525 -16.621 303 HB3 SER 44 2HB SER 44 9.319 9.243 -16.543 304 HG SER 44 HG SER 44 9.278 8.696 -14.107 305 H SER 45 H SER 45 6.284 6.579 -16.358 306 HA SER 45 HA SER 45 5.153 4.887 -15.324 307 HB2 SER 45 1HB SER 45 7.627 5.276 -13.684 308 HB3 SER 45 2HB SER 45 6.412 4.119 -13.139 309 HG SER 45 HG SER 45 7.072 3.944 -15.810 310 H GLY 46 H GLY 46 4.022 7.374 -14.811 311 HA2 GLY 46 1HA GLY 46 2.147 7.897 -13.480 312 HA3 GLY 46 2HA GLY 46 2.762 6.823 -12.232 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.811 -28.422 2.830 2 HA2 GLY 1 1HA GLY 1 0.928 -30.744 3.629 3 HA3 GLY 1 2HA GLY 1 1.450 -30.128 5.190 4 H SER 2 H SER 2 0.444 -28.145 5.972 5 HA SER 2 HA SER 2 -2.327 -27.915 5.001 6 HB2 SER 2 1HB SER 2 -2.351 -28.748 7.237 7 HB3 SER 2 2HB SER 2 -1.156 -27.564 7.763 8 HG SER 2 HG SER 2 -2.884 -26.496 8.338 9 H SER 3 H SER 3 -3.218 -25.915 4.640 10 HA SER 3 HA SER 3 -1.329 -23.761 4.210 11 HB2 SER 3 1HB SER 3 -3.231 -22.618 3.125 12 HB3 SER 3 2HB SER 3 -2.997 -24.243 2.483 13 HG SER 3 HG SER 3 -5.205 -23.275 3.423 14 H GLY 4 H GLY 4 -4.385 -24.191 5.996 15 HA2 GLY 4 1HA GLY 4 -4.894 -23.353 8.117 16 HA3 GLY 4 2HA GLY 4 -3.409 -22.415 8.078 17 H SER 5 H SER 5 -3.444 -20.628 6.337 18 HA SER 5 HA SER 5 -5.750 -18.990 6.901 19 HB2 SER 5 1HB SER 5 -3.183 -18.490 5.389 20 HB3 SER 5 2HB SER 5 -4.465 -17.286 5.515 21 HG SER 5 HG SER 5 -3.926 -16.920 7.522 22 H SER 6 H SER 6 -7.496 -18.825 5.673 23 HA SER 6 HA SER 6 -7.280 -19.222 2.782 24 HB2 SER 6 1HB SER 6 -8.876 -20.888 4.674 25 HB3 SER 6 2HB SER 6 -9.588 -20.507 3.106 26 HG SER 6 HG SER 6 -6.966 -21.530 3.336 27 H GLY 7 H GLY 7 -8.203 -17.566 1.782 28 HA2 GLY 7 1HA GLY 7 -10.443 -16.468 1.463 29 HA3 GLY 7 2HA GLY 7 -10.369 -16.127 3.186 30 H THR 8 H THR 8 -8.033 -15.807 0.513 31 HA THR 8 HA THR 8 -6.578 -13.699 1.322 32 HB THR 8 HB THR 8 -6.171 -14.754 -0.827 33 HG1 THR 8 HG1 THR 8 -6.147 -12.595 -2.087 34 HG21 THR 8 3HG2 THR 8 -8.415 -15.100 -1.620 35 HG22 THR 8 1HG2 THR 8 -7.557 -14.109 -2.799 36 HG23 THR 8 2HG2 THR 8 -8.706 -13.362 -1.690 37 H GLY 9 H GLY 9 -9.838 -13.505 -0.032 38 HA2 GLY 9 1HA GLY 9 -11.239 -11.735 1.020 39 HA3 GLY 9 2HA GLY 9 -9.885 -10.651 0.737 40 H GLU 10 H GLU 10 -12.789 -10.818 -0.222 41 HA GLU 10 HA GLU 10 -12.161 -10.342 -3.056 42 HB2 GLU 10 1HB GLU 10 -14.271 -11.350 -3.719 43 HB3 GLU 10 2HB GLU 10 -13.301 -12.513 -2.826 44 HG2 GLU 10 1HG GLU 10 -14.631 -12.148 -0.840 45 HG3 GLU 10 2HG GLU 10 -15.565 -10.904 -1.668 46 H LYS 11 H LYS 11 -12.199 -8.349 -1.137 47 HA LYS 11 HA LYS 11 -14.797 -7.055 -1.224 48 HB2 LYS 11 1HB LYS 11 -12.186 -6.486 0.129 49 HB3 LYS 11 2HB LYS 11 -13.368 -5.195 -0.048 50 HG2 LYS 11 1HG LYS 11 -14.830 -6.141 1.421 51 HG3 LYS 11 2HG LYS 11 -14.289 -7.785 1.074 52 HD2 LYS 11 1HD LYS 11 -12.373 -5.918 2.376 53 HD3 LYS 11 2HD LYS 11 -13.691 -6.573 3.351 54 HE2 LYS 11 1HE LYS 11 -12.985 -8.858 2.512 55 HE3 LYS 11 2HE LYS 11 -11.535 -8.076 1.887 56 HZ1 LYS 11 3HZ LYS 11 -12.299 -8.641 4.640 57 HZ2 LYS 11 1HZ LYS 11 -11.490 -7.181 4.368 58 HZ3 LYS 11 2HZ LYS 11 -10.769 -8.643 3.919 59 HA PRO 12 HA PRO 12 -14.092 -4.433 -4.671 60 HB2 PRO 12 1HB PRO 12 -15.276 -2.124 -3.873 61 HB3 PRO 12 2HB PRO 12 -16.191 -3.571 -4.313 62 HG2 PRO 12 1HG PRO 12 -15.452 -2.549 -1.598 63 HG3 PRO 12 2HG PRO 12 -16.994 -3.223 -2.158 64 HD2 PRO 12 1HD PRO 12 -15.203 -4.670 -0.733 65 HD3 PRO 12 2HD PRO 12 -16.259 -5.399 -1.961 66 H TYR 13 H TYR 13 -12.693 -3.759 -1.653 67 HA TYR 13 HA TYR 13 -10.927 -1.748 -2.884 68 HB2 TYR 13 1HB TYR 13 -11.655 -1.856 0.046 69 HB3 TYR 13 2HB TYR 13 -10.739 -0.601 -0.780 70 HD1 TYR 13 HD1 TYR 13 -11.973 0.724 -2.620 71 HD2 TYR 13 HD2 TYR 13 -13.960 -1.637 0.309 72 HE1 TYR 13 HE1 TYR 13 -14.049 1.980 -3.024 73 HE2 TYR 13 HE2 TYR 13 -16.042 -0.389 -0.088 74 HH TYR 13 HH TYR 13 -17.086 0.983 -1.703 75 H GLU 14 H GLU 14 -8.987 -2.600 -3.198 76 HA GLU 14 HA GLU 14 -7.732 -4.116 -1.039 77 HB2 GLU 14 1HB GLU 14 -8.814 -5.685 -2.739 78 HB3 GLU 14 2HB GLU 14 -7.605 -5.112 -3.880 79 HG2 GLU 14 1HG GLU 14 -5.965 -5.781 -1.917 80 HG3 GLU 14 2HG GLU 14 -7.300 -6.856 -1.504 81 H CYS 15 H CYS 15 -5.641 -3.612 -0.758 82 HA CYS 15 HA CYS 15 -4.496 -1.532 -2.383 83 HB2 CYS 15 1HB CYS 15 -4.285 -1.898 0.190 84 HB3 CYS 15 2HB CYS 15 -2.992 -3.011 -0.246 85 H LYS 16 H LYS 16 -2.207 -1.703 -3.145 86 HA LYS 16 HA LYS 16 -1.802 -4.311 -4.445 87 HB2 LYS 16 1HB LYS 16 -2.115 -2.023 -5.727 88 HB3 LYS 16 2HB LYS 16 -0.407 -1.829 -5.355 89 HG2 LYS 16 1HG LYS 16 -0.390 -2.795 -7.458 90 HG3 LYS 16 2HG LYS 16 -0.136 -4.172 -6.384 91 HD2 LYS 16 1HD LYS 16 -1.773 -5.037 -7.719 92 HD3 LYS 16 2HD LYS 16 -2.782 -4.271 -6.490 93 HE2 LYS 16 1HE LYS 16 -1.969 -2.948 -9.073 94 HE3 LYS 16 2HE LYS 16 -3.483 -3.823 -8.849 95 HZ1 LYS 16 3HZ LYS 16 -3.938 -1.547 -8.499 96 HZ2 LYS 16 1HZ LYS 16 -2.607 -1.348 -7.474 97 HZ3 LYS 16 2HZ LYS 16 -3.937 -2.261 -6.966 98 H VAL 17 H VAL 17 -0.165 -1.713 -2.703 99 HA VAL 17 HA VAL 17 2.427 -2.829 -2.767 100 HB VAL 17 HB VAL 17 1.206 -0.958 -0.732 101 HG11 VAL 17 1HG1 VAL 17 4.046 -1.819 -1.217 102 HG12 VAL 17 2HG1 VAL 17 3.633 -0.336 -0.355 103 HG13 VAL 17 3HG1 VAL 17 3.120 -1.899 0.281 104 HG21 VAL 17 3HG2 VAL 17 1.264 -0.223 -3.153 105 HG22 VAL 17 1HG2 VAL 17 2.095 0.827 -2.005 106 HG23 VAL 17 2HG2 VAL 17 3.022 -0.267 -3.030 107 H CYS 18 H CYS 18 0.269 -2.603 0.065 108 HA CYS 18 HA CYS 18 1.649 -4.805 1.333 109 HB2 CYS 18 1HB CYS 18 0.287 -4.325 3.262 110 HB3 CYS 18 2HB CYS 18 0.863 -2.799 2.599 111 H SER 19 H SER 19 -1.096 -4.374 -0.652 112 HA SER 19 HA SER 19 -2.652 -5.814 -1.476 113 HB2 SER 19 1HB SER 19 -0.539 -7.644 -0.454 114 HB3 SER 19 2HB SER 19 -2.109 -8.354 -0.827 115 HG SER 19 HG SER 19 -1.846 -7.895 -2.908 116 H LYS 20 H LYS 20 -3.316 -4.528 0.844 117 HA LYS 20 HA LYS 20 -4.700 -6.582 2.438 118 HB2 LYS 20 1HB LYS 20 -3.040 -4.806 3.458 119 HB3 LYS 20 2HB LYS 20 -4.440 -3.747 3.352 120 HG2 LYS 20 1HG LYS 20 -5.696 -5.574 4.619 121 HG3 LYS 20 2HG LYS 20 -4.102 -6.245 4.972 122 HD2 LYS 20 1HD LYS 20 -3.435 -4.161 6.030 123 HD3 LYS 20 2HD LYS 20 -4.990 -3.434 5.620 124 HE2 LYS 20 1HE LYS 20 -4.984 -4.142 7.937 125 HE3 LYS 20 2HE LYS 20 -6.122 -5.116 7.008 126 HZ1 LYS 20 3HZ LYS 20 -4.285 -6.132 8.656 127 HZ2 LYS 20 1HZ LYS 20 -3.440 -6.192 7.191 128 HZ3 LYS 20 2HZ LYS 20 -4.933 -6.973 7.339 129 H ALA 21 H ALA 21 -6.854 -6.681 2.376 130 HA ALA 21 HA ALA 21 -8.287 -4.704 0.779 131 HB1 ALA 21 3HB ALA 21 -9.280 -6.548 0.031 132 HB2 ALA 21 1HB ALA 21 -8.590 -7.523 1.329 133 HB3 ALA 21 2HB ALA 21 -10.101 -6.650 1.589 134 H PHE 22 H PHE 22 -10.254 -3.739 1.507 135 HA PHE 22 HA PHE 22 -10.627 -3.700 4.420 136 HB2 PHE 22 1HB PHE 22 -10.668 -1.218 2.695 137 HB3 PHE 22 2HB PHE 22 -10.818 -1.296 4.447 138 HD1 PHE 22 HD1 PHE 22 -8.477 -1.991 1.654 139 HD2 PHE 22 HD2 PHE 22 -8.933 -1.161 5.804 140 HE1 PHE 22 HE1 PHE 22 -6.039 -1.737 1.868 141 HE2 PHE 22 HE2 PHE 22 -6.496 -0.906 6.024 142 HZ PHE 22 HZ PHE 22 -5.046 -1.193 4.054 143 H THR 23 H THR 23 -12.720 -2.367 4.915 144 HA THR 23 HA THR 23 -14.820 -3.531 3.245 145 HB THR 23 HB THR 23 -16.344 -2.984 5.105 146 HG1 THR 23 HG1 THR 23 -14.162 -2.321 6.742 147 HG21 THR 23 3HG2 THR 23 -14.644 -4.321 6.848 148 HG22 THR 23 1HG2 THR 23 -14.083 -4.795 5.246 149 HG23 THR 23 2HG2 THR 23 -15.766 -5.058 5.705 150 H GLN 24 H GLN 24 -13.866 -0.415 4.651 151 HA GLN 24 HA GLN 24 -15.703 0.911 2.769 152 HB2 GLN 24 1HB GLN 24 -14.673 1.790 5.465 153 HB3 GLN 24 2HB GLN 24 -15.497 2.876 4.355 154 HG2 GLN 24 1HG GLN 24 -16.697 0.325 5.397 155 HG3 GLN 24 2HG GLN 24 -16.934 1.904 6.143 156 HE21 GLN 24 1HE2 GLN 24 -18.837 2.705 5.661 157 HE22 GLN 24 2HE2 GLN 24 -19.643 2.587 4.137 158 H LYS 25 H LYS 25 -14.901 2.278 1.290 159 HA LYS 25 HA LYS 25 -12.245 2.295 0.552 160 HB2 LYS 25 1HB LYS 25 -14.188 3.045 -0.844 161 HB3 LYS 25 2HB LYS 25 -14.193 4.553 0.061 162 HG2 LYS 25 1HG LYS 25 -12.004 5.113 -0.752 163 HG3 LYS 25 2HG LYS 25 -11.852 3.540 -1.538 164 HD2 LYS 25 1HD LYS 25 -13.681 4.082 -3.038 165 HD3 LYS 25 2HD LYS 25 -13.928 5.623 -2.214 166 HE2 LYS 25 1HE LYS 25 -12.669 6.281 -4.021 167 HE3 LYS 25 2HE LYS 25 -11.413 6.008 -2.815 168 HZ1 LYS 25 3HZ LYS 25 -11.679 4.805 -5.316 169 HZ2 LYS 25 1HZ LYS 25 -11.923 3.596 -4.157 170 HZ3 LYS 25 2HZ LYS 25 -10.500 4.509 -4.139 171 H ALA 26 H ALA 26 -13.979 4.779 2.421 172 HA ALA 26 HA ALA 26 -12.134 6.699 2.795 173 HB1 ALA 26 3HB ALA 26 -13.910 5.476 4.899 174 HB2 ALA 26 1HB ALA 26 -13.023 6.986 5.111 175 HB3 ALA 26 2HB ALA 26 -14.264 6.860 3.864 176 H HIS 27 H HIS 27 -12.115 3.535 4.366 177 HA HIS 27 HA HIS 27 -9.877 4.075 6.041 178 HB2 HIS 27 1HB HIS 27 -11.254 1.542 5.168 179 HB3 HIS 27 2HB HIS 27 -9.809 1.508 6.175 180 HD1 HIS 27 HD1 HIS 27 -12.550 0.453 7.177 181 HD2 HIS 27 HD2 HIS 27 -11.073 4.268 7.900 182 HE1 HIS 27 HE1 HIS 27 -13.735 1.251 9.246 183 H LEU 28 H LEU 28 -10.266 2.478 2.902 184 HA LEU 28 HA LEU 28 -7.607 1.642 2.585 185 HB2 LEU 28 1HB LEU 28 -9.289 0.735 1.172 186 HB3 LEU 28 2HB LEU 28 -9.751 2.334 0.592 187 HG LEU 28 HG LEU 28 -7.349 2.406 -0.383 188 HD11 LEU 28 1HD1 LEU 28 -7.256 -0.351 -0.974 189 HD12 LEU 28 2HD1 LEU 28 -7.386 -0.198 0.778 190 HD13 LEU 28 3HD1 LEU 28 -6.080 0.616 -0.083 191 HD21 LEU 28 3HD2 LEU 28 -9.544 2.229 -1.613 192 HD22 LEU 28 1HD2 LEU 28 -9.295 0.483 -1.636 193 HD23 LEU 28 2HD2 LEU 28 -8.144 1.549 -2.442 194 H ALA 29 H ALA 29 -9.229 4.506 1.207 195 HA ALA 29 HA ALA 29 -7.063 5.694 -0.008 196 HB1 ALA 29 3HB ALA 29 -9.152 6.659 -0.422 197 HB2 ALA 29 1HB ALA 29 -9.496 6.870 1.296 198 HB3 ALA 29 2HB ALA 29 -8.285 7.882 0.507 199 H GLN 30 H GLN 30 -8.200 6.262 3.324 200 HA GLN 30 HA GLN 30 -6.193 8.039 4.089 201 HB2 GLN 30 1HB GLN 30 -8.380 7.240 5.306 202 HB3 GLN 30 2HB GLN 30 -7.300 6.070 6.052 203 HG2 GLN 30 1HG GLN 30 -7.152 7.720 7.591 204 HG3 GLN 30 2HG GLN 30 -5.861 8.242 6.509 205 HE21 GLN 30 1HE2 GLN 30 -6.549 9.775 4.775 206 HE22 GLN 30 2HE2 GLN 30 -7.689 10.999 5.205 207 H HIS 31 H HIS 31 -6.029 4.686 3.474 208 HA HIS 31 HA HIS 31 -3.623 4.295 5.068 209 HB2 HIS 31 1HB HIS 31 -4.826 2.344 5.190 210 HB3 HIS 31 2HB HIS 31 -5.491 2.526 3.569 211 HD1 HIS 31 HD1 HIS 31 -2.107 1.759 5.139 212 HD2 HIS 31 HD2 HIS 31 -4.377 0.830 1.786 213 HE1 HIS 31 HE1 HIS 31 -0.764 0.055 3.869 214 H GLN 32 H GLN 32 -4.579 4.055 1.644 215 HA GLN 32 HA GLN 32 -2.198 3.467 0.465 216 HB2 GLN 32 1HB GLN 32 -4.431 5.274 -0.414 217 HB3 GLN 32 2HB GLN 32 -3.017 5.030 -1.431 218 HG2 GLN 32 1HG GLN 32 -3.474 2.561 -1.279 219 HG3 GLN 32 2HG GLN 32 -5.011 2.976 -0.522 220 HE21 GLN 32 1HE2 GLN 32 -6.310 4.625 -1.791 221 HE22 GLN 32 2HE2 GLN 32 -6.388 4.387 -3.500 222 H LYS 33 H LYS 33 -3.034 6.376 2.116 223 HA LYS 33 HA LYS 33 -0.831 7.897 0.998 224 HB2 LYS 33 1HB LYS 33 -1.644 9.737 2.251 225 HB3 LYS 33 2HB LYS 33 -3.067 8.900 1.646 226 HG2 LYS 33 1HG LYS 33 -3.656 8.112 3.731 227 HG3 LYS 33 2HG LYS 33 -2.015 8.262 4.366 228 HD2 LYS 33 1HD LYS 33 -2.255 10.738 4.215 229 HD3 LYS 33 2HD LYS 33 -3.942 10.501 3.754 230 HE2 LYS 33 1HE LYS 33 -3.931 10.938 6.083 231 HE3 LYS 33 2HE LYS 33 -4.229 9.210 5.897 232 HZ1 LYS 33 3HZ LYS 33 -1.491 9.488 6.057 233 HZ2 LYS 33 1HZ LYS 33 -2.524 8.883 7.253 234 HZ3 LYS 33 2HZ LYS 33 -2.107 10.522 7.246 235 H THR 34 H THR 34 -1.599 6.092 3.893 236 HA THR 34 HA THR 34 0.457 7.023 5.560 237 HB THR 34 HB THR 34 -1.574 5.408 6.041 238 HG1 THR 34 HG1 THR 34 -0.596 5.899 7.865 239 HG21 THR 34 3HG2 THR 34 -0.353 3.655 4.538 240 HG22 THR 34 1HG2 THR 34 -1.152 3.133 6.020 241 HG23 THR 34 2HG2 THR 34 0.598 3.352 5.992 242 H HIS 35 H HIS 35 0.435 4.656 2.984 243 HA HIS 35 HA HIS 35 2.770 3.262 3.500 244 HB2 HIS 35 1HB HIS 35 1.246 3.952 1.040 245 HB3 HIS 35 2HB HIS 35 2.884 3.339 0.829 246 HD1 HIS 35 HD1 HIS 35 3.033 1.143 2.882 247 HD2 HIS 35 HD2 HIS 35 -0.336 1.816 0.547 248 HE1 HIS 35 HE1 HIS 35 1.788 -1.041 2.854 249 H THR 36 H THR 36 4.675 4.113 4.014 250 HA THR 36 HA THR 36 5.625 6.451 2.490 251 HB THR 36 HB THR 36 6.478 5.589 5.261 252 HG1 THR 36 HG1 THR 36 5.055 7.019 6.006 253 HG21 THR 36 3HG2 THR 36 8.067 7.176 5.207 254 HG22 THR 36 1HG2 THR 36 7.026 8.322 4.364 255 HG23 THR 36 2HG2 THR 36 7.892 7.084 3.454 256 H GLY 37 H GLY 37 7.489 6.303 1.376 257 HA2 GLY 37 1HA GLY 37 9.309 4.071 1.935 258 HA3 GLY 37 2HA GLY 37 8.639 4.211 0.316 259 H GLU 38 H GLU 38 8.914 6.502 -0.643 260 HA GLU 38 HA GLU 38 10.392 7.977 -1.555 261 HB2 GLU 38 1HB GLU 38 11.100 8.160 1.369 262 HB3 GLU 38 2HB GLU 38 11.837 9.196 0.155 263 HG2 GLU 38 1HG GLU 38 9.375 9.741 -0.482 264 HG3 GLU 38 2HG GLU 38 9.023 9.137 1.136 265 H LYS 39 H LYS 39 11.163 5.247 -1.669 266 HA LYS 39 HA LYS 39 13.942 5.573 -2.287 267 HB2 LYS 39 1HB LYS 39 14.761 3.759 -0.827 268 HB3 LYS 39 2HB LYS 39 14.171 5.138 0.092 269 HG2 LYS 39 1HG LYS 39 12.343 4.001 0.889 270 HG3 LYS 39 2HG LYS 39 12.324 2.867 -0.463 271 HD2 LYS 39 1HD LYS 39 13.061 1.643 1.428 272 HD3 LYS 39 2HD LYS 39 14.494 1.942 0.441 273 HE2 LYS 39 1HE LYS 39 15.101 2.369 2.699 274 HE3 LYS 39 2HE LYS 39 14.959 3.933 1.898 275 HZ1 LYS 39 3HZ LYS 39 13.886 4.124 3.975 276 HZ2 LYS 39 1HZ LYS 39 13.035 2.676 3.769 277 HZ3 LYS 39 2HZ LYS 39 12.648 4.026 2.826 278 HA PRO 40 HA PRO 40 12.931 2.491 -5.248 279 HB2 PRO 40 1HB PRO 40 15.381 1.420 -5.719 280 HB3 PRO 40 2HB PRO 40 14.908 3.025 -6.290 281 HG2 PRO 40 1HG PRO 40 16.530 2.270 -3.890 282 HG3 PRO 40 2HG PRO 40 16.803 3.574 -5.059 283 HD2 PRO 40 1HD PRO 40 15.694 4.007 -2.627 284 HD3 PRO 40 2HD PRO 40 15.262 4.965 -4.058 285 H SER 41 H SER 41 11.717 1.263 -3.579 286 HA SER 41 HA SER 41 13.128 -1.004 -2.412 287 HB2 SER 41 1HB SER 41 10.328 0.077 -2.108 288 HB3 SER 41 2HB SER 41 10.804 -1.484 -1.441 289 HG SER 41 HG SER 41 12.666 0.073 -0.633 290 H GLY 42 H GLY 42 13.620 -2.177 -4.305 291 HA2 GLY 42 1HA GLY 42 13.220 -3.963 -5.709 292 HA3 GLY 42 2HA GLY 42 11.577 -4.020 -5.088 293 HA PRO 43 HA PRO 43 12.042 -1.808 -9.368 294 HB2 PRO 43 1HB PRO 43 12.208 -3.886 -11.107 295 HB3 PRO 43 2HB PRO 43 13.630 -3.077 -10.438 296 HG2 PRO 43 1HG PRO 43 12.337 -5.642 -9.594 297 HG3 PRO 43 2HG PRO 43 14.060 -5.265 -9.779 298 HD2 PRO 43 1HD PRO 43 12.826 -5.298 -7.369 299 HD3 PRO 43 2HD PRO 43 14.176 -4.205 -7.735 300 H SER 44 H SER 44 10.186 -4.097 -7.793 301 HA SER 44 HA SER 44 8.187 -4.621 -9.739 302 HB2 SER 44 1HB SER 44 6.818 -5.351 -7.788 303 HB3 SER 44 2HB SER 44 8.426 -6.076 -7.810 304 HG SER 44 HG SER 44 8.300 -3.697 -6.451 305 H SER 45 H SER 45 7.909 -2.451 -10.593 306 HA SER 45 HA SER 45 5.876 -0.978 -9.079 307 HB2 SER 45 1HB SER 45 6.900 1.173 -9.754 308 HB3 SER 45 2HB SER 45 7.969 0.230 -8.716 309 HG SER 45 HG SER 45 9.235 -0.245 -10.430 310 H GLY 46 H GLY 46 4.102 -1.062 -10.286 311 HA2 GLY 46 1HA GLY 46 4.332 -1.210 -13.196 312 HA3 GLY 46 2HA GLY 46 2.880 -1.508 -12.253 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -2.488 -18.476 -11.011 2 HA2 GLY 1 1HA GLY 1 -1.914 -17.745 -8.242 3 HA3 GLY 1 2HA GLY 1 -3.353 -18.569 -8.823 4 H SER 2 H SER 2 -2.249 -19.530 -6.586 5 HA SER 2 HA SER 2 -0.378 -21.651 -7.213 6 HB2 SER 2 1HB SER 2 -0.524 -20.246 -5.016 7 HB3 SER 2 2HB SER 2 -1.794 -21.389 -4.577 8 HG SER 2 HG SER 2 0.749 -21.742 -4.266 9 H SER 3 H SER 3 -0.955 -23.858 -6.110 10 HA SER 3 HA SER 3 -3.106 -24.958 -7.581 11 HB2 SER 3 1HB SER 3 -2.612 -27.034 -6.242 12 HB3 SER 3 2HB SER 3 -1.214 -26.351 -7.071 13 HG SER 3 HG SER 3 -0.921 -26.968 -4.796 14 H GLY 4 H GLY 4 -5.088 -24.139 -7.081 15 HA2 GLY 4 1HA GLY 4 -6.937 -25.014 -5.567 16 HA3 GLY 4 2HA GLY 4 -5.958 -24.347 -4.269 17 H SER 5 H SER 5 -8.659 -23.779 -5.884 18 HA SER 5 HA SER 5 -8.314 -20.853 -5.792 19 HB2 SER 5 1HB SER 5 -8.668 -21.917 -8.104 20 HB3 SER 5 2HB SER 5 -10.316 -22.241 -7.568 21 HG SER 5 HG SER 5 -9.144 -19.878 -8.322 22 H SER 6 H SER 6 -9.293 -20.133 -4.022 23 HA SER 6 HA SER 6 -11.813 -21.394 -3.180 24 HB2 SER 6 1HB SER 6 -11.374 -20.387 -0.968 25 HB3 SER 6 2HB SER 6 -10.046 -21.428 -1.483 26 HG SER 6 HG SER 6 -9.922 -18.709 -2.119 27 H GLY 7 H GLY 7 -10.323 -18.378 -4.119 28 HA2 GLY 7 1HA GLY 7 -11.191 -16.288 -4.521 29 HA3 GLY 7 2HA GLY 7 -12.625 -17.164 -5.034 30 H THR 8 H THR 8 -11.159 -16.843 -1.815 31 HA THR 8 HA THR 8 -13.767 -16.042 -0.771 32 HB THR 8 HB THR 8 -12.676 -17.834 0.435 33 HG1 THR 8 HG1 THR 8 -13.512 -15.588 1.524 34 HG21 THR 8 3HG2 THR 8 -10.381 -15.897 0.618 35 HG22 THR 8 1HG2 THR 8 -10.377 -17.544 -0.012 36 HG23 THR 8 2HG2 THR 8 -10.548 -17.263 1.721 37 H GLY 9 H GLY 9 -10.503 -14.826 -1.188 38 HA2 GLY 9 1HA GLY 9 -10.972 -12.455 0.394 39 HA3 GLY 9 2HA GLY 9 -9.544 -12.805 -0.569 40 H GLU 10 H GLU 10 -13.001 -12.051 -1.002 41 HA GLU 10 HA GLU 10 -12.243 -10.432 -3.343 42 HB2 GLU 10 1HB GLU 10 -14.501 -10.794 -4.195 43 HB3 GLU 10 2HB GLU 10 -13.695 -12.329 -3.901 44 HG2 GLU 10 1HG GLU 10 -14.895 -12.315 -1.644 45 HG3 GLU 10 2HG GLU 10 -15.897 -11.040 -2.334 46 H LYS 11 H LYS 11 -12.295 -8.325 -2.981 47 HA LYS 11 HA LYS 11 -14.510 -7.178 -1.463 48 HB2 LYS 11 1HB LYS 11 -11.618 -6.525 -0.866 49 HB3 LYS 11 2HB LYS 11 -13.023 -5.773 -0.122 50 HG2 LYS 11 1HG LYS 11 -12.475 -8.719 0.076 51 HG3 LYS 11 2HG LYS 11 -11.834 -7.546 1.229 52 HD2 LYS 11 1HD LYS 11 -14.766 -7.752 0.583 53 HD3 LYS 11 2HD LYS 11 -14.007 -8.695 1.867 54 HE2 LYS 11 1HE LYS 11 -13.630 -6.856 3.182 55 HE3 LYS 11 2HE LYS 11 -13.551 -5.755 1.807 56 HZ1 LYS 11 3HZ LYS 11 -15.827 -5.590 1.694 57 HZ2 LYS 11 1HZ LYS 11 -15.595 -5.711 3.366 58 HZ3 LYS 11 2HZ LYS 11 -16.098 -7.063 2.482 59 HA PRO 12 HA PRO 12 -14.426 -4.097 -4.591 60 HB2 PRO 12 1HB PRO 12 -15.408 -1.961 -3.233 61 HB3 PRO 12 2HB PRO 12 -16.410 -3.334 -3.718 62 HG2 PRO 12 1HG PRO 12 -15.165 -2.743 -1.060 63 HG3 PRO 12 2HG PRO 12 -16.793 -3.342 -1.424 64 HD2 PRO 12 1HD PRO 12 -14.791 -4.970 -0.603 65 HD3 PRO 12 2HD PRO 12 -16.067 -5.510 -1.713 66 H TYR 13 H TYR 13 -12.607 -3.732 -1.692 67 HA TYR 13 HA TYR 13 -10.868 -1.788 -3.045 68 HB2 TYR 13 1HB TYR 13 -11.512 -1.664 -0.097 69 HB3 TYR 13 2HB TYR 13 -10.575 -0.507 -1.036 70 HD1 TYR 13 HD1 TYR 13 -11.733 0.939 -2.710 71 HD2 TYR 13 HD2 TYR 13 -13.882 -1.537 0.003 72 HE1 TYR 13 HE1 TYR 13 -13.771 2.247 -3.140 73 HE2 TYR 13 HE2 TYR 13 -15.926 -0.236 -0.421 74 HH TYR 13 HH TYR 13 -15.919 2.750 -1.957 75 H GLU 14 H GLU 14 -8.923 -2.645 -3.285 76 HA GLU 14 HA GLU 14 -7.743 -4.170 -1.087 77 HB2 GLU 14 1HB GLU 14 -8.848 -5.635 -2.960 78 HB3 GLU 14 2HB GLU 14 -7.409 -5.209 -3.875 79 HG2 GLU 14 1HG GLU 14 -5.987 -6.236 -2.270 80 HG3 GLU 14 2HG GLU 14 -7.325 -6.463 -1.145 81 H CYS 15 H CYS 15 -5.826 -3.336 -0.635 82 HA CYS 15 HA CYS 15 -4.559 -1.398 -2.248 83 HB2 CYS 15 1HB CYS 15 -4.332 -1.581 0.236 84 HB3 CYS 15 2HB CYS 15 -3.326 -3.006 -0.003 85 H LYS 16 H LYS 16 -2.279 -1.555 -3.010 86 HA LYS 16 HA LYS 16 -1.862 -4.137 -4.358 87 HB2 LYS 16 1HB LYS 16 -2.193 -1.850 -5.615 88 HB3 LYS 16 2HB LYS 16 -0.497 -1.616 -5.216 89 HG2 LYS 16 1HG LYS 16 0.179 -3.443 -6.508 90 HG3 LYS 16 2HG LYS 16 -1.457 -4.101 -6.591 91 HD2 LYS 16 1HD LYS 16 -0.968 -1.390 -7.716 92 HD3 LYS 16 2HD LYS 16 -0.381 -2.787 -8.621 93 HE2 LYS 16 1HE LYS 16 -2.632 -3.743 -8.602 94 HE3 LYS 16 2HE LYS 16 -3.218 -2.354 -7.687 95 HZ1 LYS 16 3HZ LYS 16 -3.509 -1.258 -9.572 96 HZ2 LYS 16 1HZ LYS 16 -3.012 -2.615 -10.450 97 HZ3 LYS 16 2HZ LYS 16 -1.880 -1.447 -9.988 98 H VAL 17 H VAL 17 -0.363 -1.685 -2.366 99 HA VAL 17 HA VAL 17 2.293 -2.662 -2.516 100 HB VAL 17 HB VAL 17 0.969 -1.043 -0.336 101 HG11 VAL 17 1HG1 VAL 17 3.307 -0.371 0.211 102 HG12 VAL 17 2HG1 VAL 17 2.947 -2.066 0.546 103 HG13 VAL 17 3HG1 VAL 17 3.873 -1.627 -0.890 104 HG21 VAL 17 3HG2 VAL 17 1.126 0.720 -1.680 105 HG22 VAL 17 1HG2 VAL 17 2.834 0.393 -1.974 106 HG23 VAL 17 2HG2 VAL 17 1.604 -0.363 -2.986 107 H CYS 18 H CYS 18 -0.050 -2.884 0.169 108 HA CYS 18 HA CYS 18 1.368 -5.280 1.107 109 HB2 CYS 18 1HB CYS 18 0.182 -4.881 3.254 110 HB3 CYS 18 2HB CYS 18 1.209 -3.533 2.777 111 H SER 19 H SER 19 -0.715 -5.038 -1.076 112 HA SER 19 HA SER 19 -2.757 -5.953 -1.677 113 HB2 SER 19 1HB SER 19 -2.656 -8.433 -1.511 114 HB3 SER 19 2HB SER 19 -1.152 -7.729 -2.106 115 HG SER 19 HG SER 19 -0.771 -9.306 -0.499 116 H LYS 20 H LYS 20 -2.974 -4.667 0.849 117 HA LYS 20 HA LYS 20 -4.362 -6.401 2.671 118 HB2 LYS 20 1HB LYS 20 -3.095 -4.440 3.458 119 HB3 LYS 20 2HB LYS 20 -4.202 -3.382 2.593 120 HG2 LYS 20 1HG LYS 20 -6.020 -4.015 4.018 121 HG3 LYS 20 2HG LYS 20 -5.032 -5.251 4.801 122 HD2 LYS 20 1HD LYS 20 -4.044 -2.447 4.826 123 HD3 LYS 20 2HD LYS 20 -5.398 -2.857 5.881 124 HE2 LYS 20 1HE LYS 20 -3.671 -3.340 7.288 125 HE3 LYS 20 2HE LYS 20 -3.832 -4.902 6.487 126 HZ1 LYS 20 3HZ LYS 20 -1.926 -2.782 5.660 127 HZ2 LYS 20 1HZ LYS 20 -2.030 -4.349 5.030 128 HZ3 LYS 20 2HZ LYS 20 -1.520 -4.110 6.625 129 H ALA 21 H ALA 21 -6.603 -5.933 3.388 130 HA ALA 21 HA ALA 21 -8.305 -5.044 1.153 131 HB1 ALA 21 3HB ALA 21 -8.406 -7.559 2.732 132 HB2 ALA 21 1HB ALA 21 -9.930 -6.832 2.222 133 HB3 ALA 21 2HB ALA 21 -8.722 -7.283 1.019 134 H PHE 22 H PHE 22 -9.983 -3.732 1.652 135 HA PHE 22 HA PHE 22 -10.514 -3.223 4.503 136 HB2 PHE 22 1HB PHE 22 -10.573 -1.085 2.374 137 HB3 PHE 22 2HB PHE 22 -10.641 -0.873 4.120 138 HD1 PHE 22 HD1 PHE 22 -8.478 -1.581 1.256 139 HD2 PHE 22 HD2 PHE 22 -8.647 -0.966 5.465 140 HE1 PHE 22 HE1 PHE 22 -6.034 -1.303 1.311 141 HE2 PHE 22 HE2 PHE 22 -6.204 -0.686 5.525 142 HZ PHE 22 HZ PHE 22 -4.894 -0.853 3.447 143 H THR 23 H THR 23 -12.636 -2.641 5.053 144 HA THR 23 HA THR 23 -14.648 -3.793 3.365 145 HB THR 23 HB THR 23 -14.835 -4.063 5.769 146 HG1 THR 23 HG1 THR 23 -16.791 -3.917 4.550 147 HG21 THR 23 3HG2 THR 23 -14.756 -2.392 7.300 148 HG22 THR 23 1HG2 THR 23 -15.601 -1.249 6.257 149 HG23 THR 23 2HG2 THR 23 -13.881 -1.558 6.016 150 H GLN 24 H GLN 24 -13.715 -0.532 4.326 151 HA GLN 24 HA GLN 24 -15.605 0.516 2.324 152 HB2 GLN 24 1HB GLN 24 -14.914 1.550 5.057 153 HB3 GLN 24 2HB GLN 24 -15.503 2.641 3.810 154 HG2 GLN 24 1HG GLN 24 -17.408 0.840 3.604 155 HG3 GLN 24 2HG GLN 24 -16.917 0.466 5.255 156 HE21 GLN 24 1HE2 GLN 24 -17.548 1.768 6.872 157 HE22 GLN 24 2HE2 GLN 24 -18.466 3.217 6.666 158 H LYS 25 H LYS 25 -14.950 2.476 1.246 159 HA LYS 25 HA LYS 25 -12.255 2.411 0.396 160 HB2 LYS 25 1HB LYS 25 -12.808 4.273 -1.001 161 HB3 LYS 25 2HB LYS 25 -14.201 3.199 -0.973 162 HG2 LYS 25 1HG LYS 25 -15.264 5.180 -0.683 163 HG3 LYS 25 2HG LYS 25 -14.930 4.797 1.008 164 HD2 LYS 25 1HD LYS 25 -14.233 7.006 0.825 165 HD3 LYS 25 2HD LYS 25 -12.730 6.101 0.627 166 HE2 LYS 25 1HE LYS 25 -13.111 6.246 -1.861 167 HE3 LYS 25 2HE LYS 25 -14.417 7.379 -1.516 168 HZ1 LYS 25 3HZ LYS 25 -12.587 8.727 -1.908 169 HZ2 LYS 25 1HZ LYS 25 -11.519 7.718 -1.069 170 HZ3 LYS 25 2HZ LYS 25 -12.642 8.653 -0.219 171 H ALA 26 H ALA 26 -14.017 4.482 2.643 172 HA ALA 26 HA ALA 26 -12.283 6.540 3.075 173 HB1 ALA 26 3HB ALA 26 -13.092 6.554 5.432 174 HB2 ALA 26 1HB ALA 26 -14.377 6.454 4.228 175 HB3 ALA 26 2HB ALA 26 -13.887 5.011 5.116 176 H HIS 27 H HIS 27 -12.029 3.254 4.356 177 HA HIS 27 HA HIS 27 -9.758 3.759 5.987 178 HB2 HIS 27 1HB HIS 27 -11.011 1.246 4.898 179 HB3 HIS 27 2HB HIS 27 -9.527 1.201 5.846 180 HD1 HIS 27 HD1 HIS 27 -12.886 0.580 6.350 181 HD2 HIS 27 HD2 HIS 27 -10.153 2.971 8.370 182 HE1 HIS 27 HE1 HIS 27 -13.847 0.903 8.651 183 H LEU 28 H LEU 28 -10.149 2.374 2.740 184 HA LEU 28 HA LEU 28 -7.427 1.841 2.278 185 HB2 LEU 28 1HB LEU 28 -9.003 0.797 0.873 186 HB3 LEU 28 2HB LEU 28 -9.758 2.332 0.449 187 HG LEU 28 HG LEU 28 -7.459 2.853 -0.655 188 HD11 LEU 28 1HD1 LEU 28 -7.251 -0.012 0.009 189 HD12 LEU 28 2HD1 LEU 28 -5.989 1.197 -0.226 190 HD13 LEU 28 3HD1 LEU 28 -6.763 0.448 -1.622 191 HD21 LEU 28 3HD2 LEU 28 -9.612 2.557 -1.824 192 HD22 LEU 28 1HD2 LEU 28 -9.320 0.819 -1.877 193 HD23 LEU 28 2HD2 LEU 28 -8.246 1.920 -2.741 194 H ALA 29 H ALA 29 -9.407 4.526 1.006 195 HA ALA 29 HA ALA 29 -7.521 6.025 -0.241 196 HB1 ALA 29 3HB ALA 29 -9.206 7.459 -0.410 197 HB2 ALA 29 1HB ALA 29 -10.117 6.467 0.727 198 HB3 ALA 29 2HB ALA 29 -9.137 7.810 1.317 199 H GLN 30 H GLN 30 -8.329 6.324 3.222 200 HA GLN 30 HA GLN 30 -6.286 8.168 3.820 201 HB2 GLN 30 1HB GLN 30 -8.271 7.756 5.251 202 HB3 GLN 30 2HB GLN 30 -7.606 6.186 5.682 203 HG2 GLN 30 1HG GLN 30 -7.193 7.805 7.431 204 HG3 GLN 30 2HG GLN 30 -5.677 7.277 6.702 205 HE21 GLN 30 1HE2 GLN 30 -4.552 9.093 7.325 206 HE22 GLN 30 2HE2 GLN 30 -4.822 10.648 6.623 207 H HIS 31 H HIS 31 -6.410 4.638 3.977 208 HA HIS 31 HA HIS 31 -3.990 4.160 5.261 209 HB2 HIS 31 1HB HIS 31 -5.252 2.243 5.008 210 HB3 HIS 31 2HB HIS 31 -5.674 2.613 3.339 211 HD1 HIS 31 HD1 HIS 31 -2.572 1.595 5.298 212 HD2 HIS 31 HD2 HIS 31 -4.297 1.130 1.547 213 HE1 HIS 31 HE1 HIS 31 -1.055 0.025 4.051 214 H GLN 32 H GLN 32 -4.570 4.102 1.738 215 HA GLN 32 HA GLN 32 -2.119 3.725 0.729 216 HB2 GLN 32 1HB GLN 32 -4.205 5.716 -0.132 217 HB3 GLN 32 2HB GLN 32 -2.726 5.472 -1.052 218 HG2 GLN 32 1HG GLN 32 -3.409 2.974 -1.006 219 HG3 GLN 32 2HG GLN 32 -5.008 3.601 -0.612 220 HE21 GLN 32 1HE2 GLN 32 -6.123 4.824 -2.138 221 HE22 GLN 32 2HE2 GLN 32 -5.684 4.825 -3.809 222 H LYS 33 H LYS 33 -3.201 6.650 2.337 223 HA LYS 33 HA LYS 33 -1.281 8.479 1.698 224 HB2 LYS 33 1HB LYS 33 -2.346 7.953 4.480 225 HB3 LYS 33 2HB LYS 33 -1.598 9.446 3.930 226 HG2 LYS 33 1HG LYS 33 -3.986 8.418 2.482 227 HG3 LYS 33 2HG LYS 33 -4.200 9.204 4.047 228 HD2 LYS 33 1HD LYS 33 -3.088 11.196 3.237 229 HD3 LYS 33 2HD LYS 33 -2.742 10.409 1.696 230 HE2 LYS 33 1HE LYS 33 -4.614 11.690 1.212 231 HE3 LYS 33 2HE LYS 33 -5.302 10.101 1.544 232 HZ1 LYS 33 3HZ LYS 33 -5.077 12.196 3.624 233 HZ2 LYS 33 1HZ LYS 33 -6.014 10.788 3.658 234 HZ3 LYS 33 2HZ LYS 33 -6.434 12.057 2.623 235 H THR 34 H THR 34 -1.012 6.024 4.266 236 HA THR 34 HA THR 34 1.572 6.635 5.105 237 HB THR 34 HB THR 34 0.104 5.107 6.344 238 HG1 THR 34 HG1 THR 34 2.491 3.774 5.541 239 HG21 THR 34 3HG2 THR 34 -0.882 3.353 5.388 240 HG22 THR 34 1HG2 THR 34 0.680 2.675 4.932 241 HG23 THR 34 2HG2 THR 34 -0.136 3.810 3.857 242 H HIS 35 H HIS 35 0.453 4.802 2.348 243 HA HIS 35 HA HIS 35 3.001 3.645 1.733 244 HB2 HIS 35 1HB HIS 35 0.368 3.842 0.310 245 HB3 HIS 35 2HB HIS 35 1.798 3.290 -0.557 246 HD1 HIS 35 HD1 HIS 35 3.072 1.519 1.605 247 HD2 HIS 35 HD2 HIS 35 -0.976 1.505 0.672 248 HE1 HIS 35 HE1 HIS 35 2.218 -0.723 2.356 249 H THR 36 H THR 36 4.675 4.803 1.065 250 HA THR 36 HA THR 36 4.605 7.437 0.169 251 HB THR 36 HB THR 36 6.919 7.005 -0.711 252 HG1 THR 36 HG1 THR 36 7.611 4.763 0.162 253 HG21 THR 36 3HG2 THR 36 7.255 5.794 1.862 254 HG22 THR 36 1HG2 THR 36 5.966 6.994 1.944 255 HG23 THR 36 2HG2 THR 36 7.568 7.458 1.371 256 H GLY 37 H GLY 37 5.579 8.110 -2.032 257 HA2 GLY 37 1HA GLY 37 5.217 6.558 -4.336 258 HA3 GLY 37 2HA GLY 37 3.726 7.442 -4.044 259 H GLU 38 H GLU 38 4.999 9.775 -2.923 260 HA GLU 38 HA GLU 38 5.198 11.448 -5.039 261 HB2 GLU 38 1HB GLU 38 5.364 11.930 -2.492 262 HB3 GLU 38 2HB GLU 38 7.099 11.806 -2.743 263 HG2 GLU 38 1HG GLU 38 7.053 13.620 -4.318 264 HG3 GLU 38 2HG GLU 38 5.294 13.692 -4.238 265 H LYS 39 H LYS 39 6.276 10.939 -6.857 266 HA LYS 39 HA LYS 39 9.156 11.062 -6.808 267 HB2 LYS 39 1HB LYS 39 7.755 8.555 -7.753 268 HB3 LYS 39 2HB LYS 39 9.451 8.920 -8.044 269 HG2 LYS 39 1HG LYS 39 9.836 8.958 -5.613 270 HG3 LYS 39 2HG LYS 39 8.146 8.516 -5.360 271 HD2 LYS 39 1HD LYS 39 9.779 6.813 -7.169 272 HD3 LYS 39 2HD LYS 39 10.075 6.698 -5.432 273 HE2 LYS 39 1HE LYS 39 8.456 5.045 -5.974 274 HE3 LYS 39 2HE LYS 39 7.607 6.343 -5.136 275 HZ1 LYS 39 3HZ LYS 39 6.418 6.849 -6.953 276 HZ2 LYS 39 1HZ LYS 39 6.806 5.279 -7.450 277 HZ3 LYS 39 2HZ LYS 39 7.705 6.593 -8.019 278 HA PRO 40 HA PRO 40 8.198 13.086 -10.619 279 HB2 PRO 40 1HB PRO 40 10.740 13.346 -11.536 280 HB3 PRO 40 2HB PRO 40 10.081 14.346 -10.236 281 HG2 PRO 40 1HG PRO 40 11.827 11.920 -10.061 282 HG3 PRO 40 2HG PRO 40 11.930 13.441 -9.154 283 HD2 PRO 40 1HD PRO 40 10.832 11.195 -8.113 284 HD3 PRO 40 2HD PRO 40 10.267 12.822 -7.683 285 H SER 41 H SER 41 10.581 10.439 -10.692 286 HA SER 41 HA SER 41 9.650 9.734 -13.387 287 HB2 SER 41 1HB SER 41 11.710 8.404 -13.562 288 HB3 SER 41 2HB SER 41 12.075 10.076 -13.137 289 HG SER 41 HG SER 41 11.951 9.138 -10.862 290 H GLY 42 H GLY 42 10.387 8.270 -10.230 291 HA2 GLY 42 1HA GLY 42 9.245 6.565 -9.144 292 HA3 GLY 42 2HA GLY 42 8.184 6.428 -10.539 293 HA PRO 43 HA PRO 43 11.130 2.785 -10.343 294 HB2 PRO 43 1HB PRO 43 9.207 0.871 -10.247 295 HB3 PRO 43 2HB PRO 43 9.873 1.637 -8.800 296 HG2 PRO 43 1HG PRO 43 7.320 2.223 -10.249 297 HG3 PRO 43 2HG PRO 43 7.615 2.106 -8.504 298 HD2 PRO 43 1HD PRO 43 7.438 4.479 -9.796 299 HD3 PRO 43 2HD PRO 43 8.482 4.238 -8.381 300 H SER 44 H SER 44 8.016 3.122 -12.028 301 HA SER 44 HA SER 44 9.339 2.172 -14.481 302 HB2 SER 44 1HB SER 44 7.749 0.480 -13.424 303 HB3 SER 44 2HB SER 44 6.447 1.598 -13.828 304 HG SER 44 HG SER 44 6.550 0.338 -15.578 305 H SER 45 H SER 45 8.740 3.170 -16.394 306 HA SER 45 HA SER 45 7.933 5.864 -16.215 307 HB2 SER 45 1HB SER 45 8.296 3.978 -18.538 308 HB3 SER 45 2HB SER 45 7.758 5.641 -18.771 309 HG SER 45 HG SER 45 10.234 4.666 -17.913 310 H GLY 46 H GLY 46 6.080 6.870 -17.268 311 HA2 GLY 46 1HA GLY 46 3.807 5.484 -18.135 312 HA3 GLY 46 2HA GLY 46 3.637 5.761 -16.408 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.772 -39.770 -5.024 2 HA2 GLY 1 1HA GLY 1 -12.912 -38.821 -2.900 3 HA3 GLY 1 2HA GLY 1 -11.753 -37.786 -3.720 4 H SER 2 H SER 2 -13.090 -36.131 -2.569 5 HA SER 2 HA SER 2 -15.268 -35.267 -4.341 6 HB2 SER 2 1HB SER 2 -16.482 -34.414 -2.312 7 HB3 SER 2 2HB SER 2 -16.388 -36.172 -2.410 8 HG SER 2 HG SER 2 -15.287 -36.182 -0.625 9 H SER 3 H SER 3 -15.865 -32.892 -3.760 10 HA SER 3 HA SER 3 -13.692 -31.284 -2.761 11 HB2 SER 3 1HB SER 3 -13.160 -30.126 -4.788 12 HB3 SER 3 2HB SER 3 -13.040 -31.850 -5.141 13 HG SER 3 HG SER 3 -15.501 -31.272 -5.665 14 H GLY 4 H GLY 4 -14.269 -29.095 -2.443 15 HA2 GLY 4 1HA GLY 4 -16.523 -27.783 -3.347 16 HA3 GLY 4 2HA GLY 4 -17.047 -28.694 -1.939 17 H SER 5 H SER 5 -16.893 -25.793 -2.352 18 HA SER 5 HA SER 5 -15.424 -25.167 0.084 19 HB2 SER 5 1HB SER 5 -14.395 -23.147 -1.009 20 HB3 SER 5 2HB SER 5 -13.747 -24.687 -1.574 21 HG SER 5 HG SER 5 -15.630 -24.311 -3.213 22 H SER 6 H SER 6 -16.695 -24.008 1.358 23 HA SER 6 HA SER 6 -19.233 -23.112 0.667 24 HB2 SER 6 1HB SER 6 -17.385 -22.532 2.954 25 HB3 SER 6 2HB SER 6 -18.880 -21.609 2.794 26 HG SER 6 HG SER 6 -18.827 -23.732 4.034 27 H GLY 7 H GLY 7 -16.258 -21.192 1.089 28 HA2 GLY 7 1HA GLY 7 -15.607 -19.358 -0.222 29 HA3 GLY 7 2HA GLY 7 -17.219 -19.315 -0.921 30 H THR 8 H THR 8 -15.883 -17.018 -0.085 31 HA THR 8 HA THR 8 -17.737 -16.085 1.969 32 HB THR 8 HB THR 8 -15.638 -16.711 3.157 33 HG1 THR 8 HG1 THR 8 -15.351 -14.346 3.926 34 HG21 THR 8 3HG2 THR 8 -14.408 -15.486 0.956 35 HG22 THR 8 1HG2 THR 8 -13.623 -16.132 2.396 36 HG23 THR 8 2HG2 THR 8 -14.083 -14.431 2.331 37 H GLY 9 H GLY 9 -18.050 -13.801 1.979 38 HA2 GLY 9 1HA GLY 9 -18.080 -12.615 -0.562 39 HA3 GLY 9 2HA GLY 9 -18.341 -11.769 0.956 40 H GLU 10 H GLU 10 -16.691 -11.389 -1.675 41 HA GLU 10 HA GLU 10 -14.067 -10.894 -0.485 42 HB2 GLU 10 1HB GLU 10 -15.110 -11.097 -3.277 43 HB3 GLU 10 2HB GLU 10 -13.652 -10.157 -2.989 44 HG2 GLU 10 1HG GLU 10 -12.435 -12.002 -2.315 45 HG3 GLU 10 2HG GLU 10 -13.877 -12.940 -1.931 46 H LYS 11 H LYS 11 -13.088 -8.867 -0.459 47 HA LYS 11 HA LYS 11 -14.951 -6.644 -0.317 48 HB2 LYS 11 1HB LYS 11 -12.125 -7.106 0.553 49 HB3 LYS 11 2HB LYS 11 -12.713 -5.457 0.383 50 HG2 LYS 11 1HG LYS 11 -14.416 -5.821 2.017 51 HG3 LYS 11 2HG LYS 11 -14.056 -7.548 2.079 52 HD2 LYS 11 1HD LYS 11 -11.978 -5.485 2.742 53 HD3 LYS 11 2HD LYS 11 -13.129 -6.057 3.952 54 HE2 LYS 11 1HE LYS 11 -11.338 -7.866 2.338 55 HE3 LYS 11 2HE LYS 11 -10.932 -7.256 3.941 56 HZ1 LYS 11 3HZ LYS 11 -12.811 -8.384 4.861 57 HZ2 LYS 11 1HZ LYS 11 -11.924 -9.502 3.953 58 HZ3 LYS 11 2HZ LYS 11 -13.357 -8.855 3.331 59 HA PRO 12 HA PRO 12 -13.974 -5.183 -4.379 60 HB2 PRO 12 1HB PRO 12 -15.113 -2.730 -4.141 61 HB3 PRO 12 2HB PRO 12 -16.056 -4.210 -4.352 62 HG2 PRO 12 1HG PRO 12 -15.456 -2.687 -1.846 63 HG3 PRO 12 2HG PRO 12 -16.984 -3.417 -2.373 64 HD2 PRO 12 1HD PRO 12 -15.353 -4.599 -0.563 65 HD3 PRO 12 2HD PRO 12 -16.354 -5.529 -1.698 66 H TYR 13 H TYR 13 -13.102 -3.489 -1.443 67 HA TYR 13 HA TYR 13 -11.151 -1.859 -2.901 68 HB2 TYR 13 1HB TYR 13 -11.862 -1.692 0.030 69 HB3 TYR 13 2HB TYR 13 -10.989 -0.502 -0.930 70 HD1 TYR 13 HD1 TYR 13 -12.193 0.881 -2.583 71 HD2 TYR 13 HD2 TYR 13 -14.255 -1.795 0.004 72 HE1 TYR 13 HE1 TYR 13 -14.307 2.034 -3.086 73 HE2 TYR 13 HE2 TYR 13 -16.375 -0.650 -0.493 74 HH TYR 13 HH TYR 13 -17.387 0.805 -1.940 75 H GLU 14 H GLU 14 -9.162 -2.623 -3.090 76 HA GLU 14 HA GLU 14 -7.914 -3.962 -0.813 77 HB2 GLU 14 1HB GLU 14 -8.835 -5.746 -2.270 78 HB3 GLU 14 2HB GLU 14 -7.881 -5.119 -3.606 79 HG2 GLU 14 1HG GLU 14 -5.892 -5.854 -2.713 80 HG3 GLU 14 2HG GLU 14 -6.525 -5.898 -1.069 81 H CYS 15 H CYS 15 -5.712 -3.673 -0.667 82 HA CYS 15 HA CYS 15 -4.633 -1.519 -2.272 83 HB2 CYS 15 1HB CYS 15 -4.362 -2.006 0.319 84 HB3 CYS 15 2HB CYS 15 -2.995 -2.966 -0.237 85 H LYS 16 H LYS 16 -2.364 -1.685 -3.090 86 HA LYS 16 HA LYS 16 -1.965 -4.304 -4.375 87 HB2 LYS 16 1HB LYS 16 -1.503 -1.494 -5.292 88 HB3 LYS 16 2HB LYS 16 -0.509 -2.784 -5.956 89 HG2 LYS 16 1HG LYS 16 -3.497 -2.974 -5.962 90 HG3 LYS 16 2HG LYS 16 -2.627 -2.098 -7.223 91 HD2 LYS 16 1HD LYS 16 -1.803 -4.883 -6.520 92 HD3 LYS 16 2HD LYS 16 -3.218 -4.624 -7.543 93 HE2 LYS 16 1HE LYS 16 -0.667 -3.213 -8.182 94 HE3 LYS 16 2HE LYS 16 -0.839 -4.917 -8.601 95 HZ1 LYS 16 3HZ LYS 16 -2.637 -2.720 -9.474 96 HZ2 LYS 16 1HZ LYS 16 -2.841 -4.357 -9.851 97 HZ3 LYS 16 2HZ LYS 16 -1.497 -3.515 -10.438 98 H VAL 17 H VAL 17 -0.321 -1.613 -2.782 99 HA VAL 17 HA VAL 17 2.286 -2.719 -2.918 100 HB VAL 17 HB VAL 17 1.141 -0.680 -1.006 101 HG11 VAL 17 1HG1 VAL 17 3.478 -0.072 -0.552 102 HG12 VAL 17 2HG1 VAL 17 3.115 -1.724 -0.047 103 HG13 VAL 17 3HG1 VAL 17 4.014 -1.433 -1.537 104 HG21 VAL 17 3HG2 VAL 17 1.297 -0.294 -3.590 105 HG22 VAL 17 1HG2 VAL 17 1.808 0.967 -2.469 106 HG23 VAL 17 2HG2 VAL 17 3.011 -0.060 -3.249 107 H CYS 18 H CYS 18 -0.043 -2.524 -0.223 108 HA CYS 18 HA CYS 18 1.509 -4.500 1.259 109 HB2 CYS 18 1HB CYS 18 0.185 -3.921 3.157 110 HB3 CYS 18 2HB CYS 18 0.590 -2.412 2.346 111 H SER 19 H SER 19 -1.281 -4.289 -0.719 112 HA SER 19 HA SER 19 -2.785 -5.836 -1.442 113 HB2 SER 19 1HB SER 19 -0.890 -7.779 -0.100 114 HB3 SER 19 2HB SER 19 -2.210 -8.236 -1.176 115 HG SER 19 HG SER 19 0.011 -6.602 -1.854 116 H LYS 20 H LYS 20 -3.547 -4.479 0.760 117 HA LYS 20 HA LYS 20 -4.743 -6.510 2.526 118 HB2 LYS 20 1HB LYS 20 -3.225 -4.674 3.492 119 HB3 LYS 20 2HB LYS 20 -4.551 -3.571 3.150 120 HG2 LYS 20 1HG LYS 20 -6.010 -4.785 4.625 121 HG3 LYS 20 2HG LYS 20 -4.778 -6.022 4.883 122 HD2 LYS 20 1HD LYS 20 -4.265 -3.136 5.534 123 HD3 LYS 20 2HD LYS 20 -5.067 -4.211 6.682 124 HE2 LYS 20 1HE LYS 20 -3.069 -5.775 6.308 125 HE3 LYS 20 2HE LYS 20 -2.279 -4.378 5.578 126 HZ1 LYS 20 3HZ LYS 20 -3.344 -3.502 7.973 127 HZ2 LYS 20 1HZ LYS 20 -1.711 -3.758 7.612 128 HZ3 LYS 20 2HZ LYS 20 -2.624 -4.994 8.317 129 H ALA 21 H ALA 21 -6.891 -6.754 2.548 130 HA ALA 21 HA ALA 21 -8.486 -5.068 0.786 131 HB1 ALA 21 3HB ALA 21 -9.192 -7.618 2.235 132 HB2 ALA 21 1HB ALA 21 -10.231 -6.769 1.089 133 HB3 ALA 21 2HB ALA 21 -8.708 -7.474 0.545 134 H PHE 22 H PHE 22 -9.983 -3.640 1.447 135 HA PHE 22 HA PHE 22 -10.500 -3.457 4.342 136 HB2 PHE 22 1HB PHE 22 -10.486 -1.207 2.319 137 HB3 PHE 22 2HB PHE 22 -10.765 -1.044 4.050 138 HD1 PHE 22 HD1 PHE 22 -8.257 -1.768 1.466 139 HD2 PHE 22 HD2 PHE 22 -8.957 -1.055 5.603 140 HE1 PHE 22 HE1 PHE 22 -5.839 -1.478 1.822 141 HE2 PHE 22 HE2 PHE 22 -6.541 -0.763 5.966 142 HZ PHE 22 HZ PHE 22 -4.979 -0.973 4.073 143 H THR 23 H THR 23 -12.598 -2.599 4.963 144 HA THR 23 HA THR 23 -14.704 -3.778 3.399 145 HB THR 23 HB THR 23 -14.790 -3.942 5.830 146 HG1 THR 23 HG1 THR 23 -16.909 -2.192 5.263 147 HG21 THR 23 3HG2 THR 23 -15.489 -1.074 6.149 148 HG22 THR 23 1HG2 THR 23 -13.782 -1.477 5.964 149 HG23 THR 23 2HG2 THR 23 -14.718 -2.183 7.282 150 H GLN 24 H GLN 24 -13.701 -0.504 4.281 151 HA GLN 24 HA GLN 24 -15.606 0.530 2.285 152 HB2 GLN 24 1HB GLN 24 -14.718 1.724 4.907 153 HB3 GLN 24 2HB GLN 24 -15.499 2.677 3.653 154 HG2 GLN 24 1HG GLN 24 -16.752 0.192 4.769 155 HG3 GLN 24 2HG GLN 24 -16.957 1.771 5.527 156 HE21 GLN 24 1HE2 GLN 24 -18.886 -0.040 4.216 157 HE22 GLN 24 2HE2 GLN 24 -19.651 0.912 2.994 158 H LYS 25 H LYS 25 -14.934 2.575 1.255 159 HA LYS 25 HA LYS 25 -12.294 2.357 0.228 160 HB2 LYS 25 1HB LYS 25 -14.026 3.199 -1.202 161 HB3 LYS 25 2HB LYS 25 -14.414 4.486 -0.068 162 HG2 LYS 25 1HG LYS 25 -12.475 5.684 -0.585 163 HG3 LYS 25 2HG LYS 25 -11.713 4.290 -1.352 164 HD2 LYS 25 1HD LYS 25 -13.606 4.398 -3.055 165 HD3 LYS 25 2HD LYS 25 -13.971 5.988 -2.382 166 HE2 LYS 25 1HE LYS 25 -11.185 5.335 -3.243 167 HE3 LYS 25 2HE LYS 25 -12.395 5.772 -4.448 168 HZ1 LYS 25 3HZ LYS 25 -11.317 7.409 -2.241 169 HZ2 LYS 25 1HZ LYS 25 -12.812 7.779 -2.944 170 HZ3 LYS 25 2HZ LYS 25 -11.410 7.780 -3.890 171 H ALA 26 H ALA 26 -13.862 4.917 2.157 172 HA ALA 26 HA ALA 26 -11.895 6.682 2.584 173 HB1 ALA 26 3HB ALA 26 -13.169 5.818 5.100 174 HB2 ALA 26 1HB ALA 26 -13.075 7.418 4.362 175 HB3 ALA 26 2HB ALA 26 -14.261 6.247 3.782 176 H HIS 27 H HIS 27 -12.152 3.572 4.279 177 HA HIS 27 HA HIS 27 -9.951 3.852 5.967 178 HB2 HIS 27 1HB HIS 27 -11.195 1.401 4.718 179 HB3 HIS 27 2HB HIS 27 -9.899 1.314 5.907 180 HD1 HIS 27 HD1 HIS 27 -11.252 0.255 7.767 181 HD2 HIS 27 HD2 HIS 27 -12.942 3.763 6.319 182 HE1 HIS 27 HE1 HIS 27 -13.103 0.822 9.372 183 H LEU 28 H LEU 28 -10.131 2.502 2.686 184 HA LEU 28 HA LEU 28 -7.372 1.861 2.517 185 HB2 LEU 28 1HB LEU 28 -8.929 0.754 1.081 186 HB3 LEU 28 2HB LEU 28 -9.484 2.288 0.413 187 HG LEU 28 HG LEU 28 -7.080 2.534 -0.473 188 HD11 LEU 28 1HD1 LEU 28 -7.146 -0.420 0.125 189 HD12 LEU 28 2HD1 LEU 28 -6.038 0.773 0.804 190 HD13 LEU 28 3HD1 LEU 28 -5.963 0.377 -0.913 191 HD21 LEU 28 3HD2 LEU 28 -9.257 0.777 -1.471 192 HD22 LEU 28 1HD2 LEU 28 -7.712 0.749 -2.322 193 HD23 LEU 28 2HD2 LEU 28 -8.597 2.265 -2.152 194 H ALA 29 H ALA 29 -9.274 4.550 1.157 195 HA ALA 29 HA ALA 29 -7.286 5.946 -0.125 196 HB1 ALA 29 3HB ALA 29 -9.932 6.481 0.766 197 HB2 ALA 29 1HB ALA 29 -8.918 7.867 1.169 198 HB3 ALA 29 2HB ALA 29 -9.007 7.293 -0.497 199 H GLN 30 H GLN 30 -8.239 6.261 3.292 200 HA GLN 30 HA GLN 30 -6.251 8.176 3.930 201 HB2 GLN 30 1HB GLN 30 -8.285 7.862 5.278 202 HB3 GLN 30 2HB GLN 30 -7.725 6.263 5.749 203 HG2 GLN 30 1HG GLN 30 -7.137 7.519 7.573 204 HG3 GLN 30 2HG GLN 30 -5.645 7.539 6.633 205 HE21 GLN 30 1HE2 GLN 30 -8.688 9.369 6.572 206 HE22 GLN 30 2HE2 GLN 30 -7.947 10.930 6.593 207 H HIS 31 H HIS 31 -6.353 4.662 4.035 208 HA HIS 31 HA HIS 31 -3.995 4.240 5.508 209 HB2 HIS 31 1HB HIS 31 -5.276 2.323 5.314 210 HB3 HIS 31 2HB HIS 31 -5.616 2.596 3.607 211 HD1 HIS 31 HD1 HIS 31 -2.630 1.664 5.775 212 HD2 HIS 31 HD2 HIS 31 -4.155 1.022 1.964 213 HE1 HIS 31 HE1 HIS 31 -1.064 0.021 4.692 214 H GLN 32 H GLN 32 -4.491 4.075 1.977 215 HA GLN 32 HA GLN 32 -1.999 3.618 1.066 216 HB2 GLN 32 1HB GLN 32 -4.152 5.433 0.050 217 HB3 GLN 32 2HB GLN 32 -2.601 5.384 -0.777 218 HG2 GLN 32 1HG GLN 32 -2.963 2.825 -0.800 219 HG3 GLN 32 2HG GLN 32 -4.649 3.231 -0.478 220 HE21 GLN 32 1HE2 GLN 32 -5.884 3.486 -2.188 221 HE22 GLN 32 2HE2 GLN 32 -5.353 3.898 -3.779 222 H LYS 33 H LYS 33 -3.123 6.582 2.543 223 HA LYS 33 HA LYS 33 -1.278 8.447 1.859 224 HB2 LYS 33 1HB LYS 33 -2.193 7.904 4.690 225 HB3 LYS 33 2HB LYS 33 -1.545 9.423 4.085 226 HG2 LYS 33 1HG LYS 33 -3.934 8.291 2.734 227 HG3 LYS 33 2HG LYS 33 -4.138 9.012 4.332 228 HD2 LYS 33 1HD LYS 33 -2.606 10.502 2.250 229 HD3 LYS 33 2HD LYS 33 -4.368 10.469 2.160 230 HE2 LYS 33 1HE LYS 33 -2.911 11.217 4.679 231 HE3 LYS 33 2HE LYS 33 -3.286 12.404 3.431 232 HZ1 LYS 33 3HZ LYS 33 -5.381 10.678 4.599 233 HZ2 LYS 33 1HZ LYS 33 -5.563 12.135 3.759 234 HZ3 LYS 33 2HZ LYS 33 -4.932 12.137 5.328 235 H THR 34 H THR 34 -0.806 5.824 4.192 236 HA THR 34 HA THR 34 1.749 6.548 5.079 237 HB THR 34 HB THR 34 2.019 4.133 5.673 238 HG1 THR 34 HG1 THR 34 -0.287 3.978 4.079 239 HG21 THR 34 3HG2 THR 34 -0.735 4.849 6.528 240 HG22 THR 34 1HG2 THR 34 0.561 5.980 6.912 241 HG23 THR 34 2HG2 THR 34 0.644 4.315 7.489 242 H HIS 35 H HIS 35 0.778 4.344 2.459 243 HA HIS 35 HA HIS 35 3.333 3.571 1.648 244 HB2 HIS 35 1HB HIS 35 0.773 3.853 0.068 245 HB3 HIS 35 2HB HIS 35 2.236 3.115 -0.576 246 HD1 HIS 35 HD1 HIS 35 3.120 1.285 1.616 247 HD2 HIS 35 HD2 HIS 35 -0.881 1.791 0.617 248 HE1 HIS 35 HE1 HIS 35 1.953 -0.784 2.443 249 H THR 36 H THR 36 4.188 4.141 -0.637 250 HA THR 36 HA THR 36 5.539 5.752 -1.609 251 HB THR 36 HB THR 36 4.187 7.329 -2.983 252 HG1 THR 36 HG1 THR 36 2.078 6.226 -1.424 253 HG21 THR 36 3HG2 THR 36 2.936 5.568 -4.232 254 HG22 THR 36 1HG2 THR 36 3.287 4.448 -2.917 255 HG23 THR 36 2HG2 THR 36 4.606 5.131 -3.868 256 H GLY 37 H GLY 37 5.506 6.273 1.108 257 HA2 GLY 37 1HA GLY 37 4.928 9.121 1.421 258 HA3 GLY 37 2HA GLY 37 5.402 8.010 2.698 259 H GLU 38 H GLU 38 7.683 7.194 2.569 260 HA GLU 38 HA GLU 38 9.538 9.122 2.868 261 HB2 GLU 38 1HB GLU 38 9.890 6.342 1.759 262 HB3 GLU 38 2HB GLU 38 11.257 7.391 2.106 263 HG2 GLU 38 1HG GLU 38 11.128 6.183 4.040 264 HG3 GLU 38 2HG GLU 38 10.147 7.587 4.456 265 H LYS 39 H LYS 39 10.835 10.402 1.655 266 HA LYS 39 HA LYS 39 10.363 10.372 -1.248 267 HB2 LYS 39 1HB LYS 39 11.252 12.590 0.601 268 HB3 LYS 39 2HB LYS 39 11.216 12.737 -1.151 269 HG2 LYS 39 1HG LYS 39 8.716 11.973 -0.824 270 HG3 LYS 39 2HG LYS 39 8.974 12.631 0.793 271 HD2 LYS 39 1HD LYS 39 9.779 14.740 -0.278 272 HD3 LYS 39 2HD LYS 39 9.298 14.069 -1.838 273 HE2 LYS 39 1HE LYS 39 7.046 14.182 -1.338 274 HE3 LYS 39 2HE LYS 39 7.325 14.162 0.402 275 HZ1 LYS 39 3HZ LYS 39 7.586 16.416 -1.481 276 HZ2 LYS 39 1HZ LYS 39 8.409 16.431 -0.003 277 HZ3 LYS 39 2HZ LYS 39 6.720 16.339 -0.030 278 HA PRO 40 HA PRO 40 14.530 9.297 -2.117 279 HB2 PRO 40 1HB PRO 40 14.954 10.668 -4.422 280 HB3 PRO 40 2HB PRO 40 13.924 9.234 -4.333 281 HG2 PRO 40 1HG PRO 40 13.148 12.125 -4.340 282 HG3 PRO 40 2HG PRO 40 12.410 10.766 -5.207 283 HD2 PRO 40 1HD PRO 40 11.366 11.776 -2.922 284 HD3 PRO 40 2HD PRO 40 11.234 10.059 -3.355 285 H SER 41 H SER 41 16.230 10.001 -1.001 286 HA SER 41 HA SER 41 16.676 12.856 -0.647 287 HB2 SER 41 1HB SER 41 16.814 11.349 1.309 288 HB3 SER 41 2HB SER 41 18.157 10.498 0.546 289 HG SER 41 HG SER 41 19.397 12.338 0.714 290 H GLY 42 H GLY 42 17.069 12.075 -3.267 291 HA2 GLY 42 1HA GLY 42 18.873 13.099 -4.587 292 HA3 GLY 42 2HA GLY 42 20.006 12.292 -3.512 293 HA PRO 43 HA PRO 43 20.251 8.866 -6.228 294 HB2 PRO 43 1HB PRO 43 20.469 6.775 -4.510 295 HB3 PRO 43 2HB PRO 43 21.770 7.942 -4.773 296 HG2 PRO 43 1HG PRO 43 19.764 7.809 -2.556 297 HG3 PRO 43 2HG PRO 43 21.503 8.144 -2.472 298 HD2 PRO 43 1HD PRO 43 19.636 10.103 -2.369 299 HD3 PRO 43 2HD PRO 43 21.237 10.346 -3.097 300 H SER 44 H SER 44 18.247 8.802 -7.249 301 HA SER 44 HA SER 44 15.803 8.075 -6.253 302 HB2 SER 44 1HB SER 44 15.903 8.867 -8.491 303 HB3 SER 44 2HB SER 44 17.017 7.588 -8.974 304 HG SER 44 HG SER 44 15.318 6.483 -9.486 305 H SER 45 H SER 45 15.011 6.311 -5.334 306 HA SER 45 HA SER 45 16.152 3.696 -6.044 307 HB2 SER 45 1HB SER 45 16.974 4.694 -3.793 308 HB3 SER 45 2HB SER 45 15.354 4.316 -3.210 309 HG SER 45 HG SER 45 17.434 2.677 -3.505 310 H GLY 46 H GLY 46 14.725 1.870 -5.287 311 HA2 GLY 46 1HA GLY 46 11.926 2.619 -5.802 312 HA3 GLY 46 2HA GLY 46 12.627 1.033 -6.092 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.958 -16.940 17.831 2 HA2 GLY 1 1HA GLY 1 1.920 -18.108 15.613 3 HA3 GLY 1 2HA GLY 1 2.221 -19.203 16.955 4 H SER 2 H SER 2 -0.012 -19.846 18.059 5 HA SER 2 HA SER 2 -1.391 -21.370 16.080 6 HB2 SER 2 1HB SER 2 -1.013 -22.212 18.371 7 HB3 SER 2 2HB SER 2 -2.075 -20.952 19.001 8 HG SER 2 HG SER 2 -3.794 -21.898 17.952 9 H SER 3 H SER 3 -2.463 -18.801 18.309 10 HA SER 3 HA SER 3 -5.050 -18.471 17.645 11 HB2 SER 3 1HB SER 3 -3.074 -16.190 17.904 12 HB3 SER 3 2HB SER 3 -4.820 -16.080 18.127 13 HG SER 3 HG SER 3 -3.807 -16.294 20.128 14 H GLY 4 H GLY 4 -6.246 -17.955 15.917 15 HA2 GLY 4 1HA GLY 4 -6.378 -16.381 13.960 16 HA3 GLY 4 2HA GLY 4 -4.809 -17.030 13.507 17 H SER 5 H SER 5 -7.450 -17.019 12.117 18 HA SER 5 HA SER 5 -7.321 -19.704 11.129 19 HB2 SER 5 1HB SER 5 -9.540 -20.433 11.703 20 HB3 SER 5 2HB SER 5 -8.740 -19.941 13.196 21 HG SER 5 HG SER 5 -10.934 -18.874 11.943 22 H SER 6 H SER 6 -7.421 -19.372 9.018 23 HA SER 6 HA SER 6 -8.208 -17.108 7.697 24 HB2 SER 6 1HB SER 6 -8.000 -19.976 6.872 25 HB3 SER 6 2HB SER 6 -8.706 -18.817 5.745 26 HG SER 6 HG SER 6 -6.249 -19.247 5.878 27 H GLY 7 H GLY 7 -10.083 -16.094 7.475 28 HA2 GLY 7 1HA GLY 7 -12.561 -17.690 7.694 29 HA3 GLY 7 2HA GLY 7 -12.410 -16.035 8.267 30 H THR 8 H THR 8 -13.608 -14.752 7.038 31 HA THR 8 HA THR 8 -13.672 -15.243 4.136 32 HB THR 8 HB THR 8 -15.762 -13.910 4.116 33 HG1 THR 8 HG1 THR 8 -16.618 -13.148 5.981 34 HG21 THR 8 3HG2 THR 8 -16.695 -15.930 4.244 35 HG22 THR 8 1HG2 THR 8 -16.781 -15.734 5.994 36 HG23 THR 8 2HG2 THR 8 -15.381 -16.519 5.263 37 H GLY 9 H GLY 9 -13.347 -13.550 2.693 38 HA2 GLY 9 1HA GLY 9 -12.789 -10.884 3.694 39 HA3 GLY 9 2HA GLY 9 -11.394 -11.744 3.060 40 H GLU 10 H GLU 10 -14.566 -10.445 2.253 41 HA GLU 10 HA GLU 10 -13.704 -10.328 -0.562 42 HB2 GLU 10 1HB GLU 10 -16.158 -10.485 -1.138 43 HB3 GLU 10 2HB GLU 10 -15.435 -11.954 -0.498 44 HG2 GLU 10 1HG GLU 10 -16.597 -11.841 1.467 45 HG3 GLU 10 2HG GLU 10 -16.772 -10.089 1.391 46 H LYS 11 H LYS 11 -13.523 -8.331 -1.312 47 HA LYS 11 HA LYS 11 -15.438 -6.288 -0.765 48 HB2 LYS 11 1HB LYS 11 -13.900 -4.704 0.334 49 HB3 LYS 11 2HB LYS 11 -14.208 -6.124 1.325 50 HG2 LYS 11 1HG LYS 11 -11.811 -6.058 -0.450 51 HG3 LYS 11 2HG LYS 11 -11.794 -5.189 1.087 52 HD2 LYS 11 1HD LYS 11 -12.687 -8.041 1.003 53 HD3 LYS 11 2HD LYS 11 -10.964 -7.662 0.972 54 HE2 LYS 11 1HE LYS 11 -11.418 -6.213 3.020 55 HE3 LYS 11 2HE LYS 11 -12.982 -7.022 3.105 56 HZ1 LYS 11 3HZ LYS 11 -12.040 -8.776 4.045 57 HZ2 LYS 11 1HZ LYS 11 -10.584 -7.919 4.133 58 HZ3 LYS 11 2HZ LYS 11 -10.899 -8.917 2.805 59 HA PRO 12 HA PRO 12 -13.898 -4.980 -4.676 60 HB2 PRO 12 1HB PRO 12 -14.896 -2.455 -4.712 61 HB3 PRO 12 2HB PRO 12 -15.905 -3.889 -4.933 62 HG2 PRO 12 1HG PRO 12 -15.473 -2.239 -2.473 63 HG3 PRO 12 2HG PRO 12 -16.981 -2.913 -3.117 64 HD2 PRO 12 1HD PRO 12 -15.626 -4.063 -1.074 65 HD3 PRO 12 2HD PRO 12 -16.561 -5.008 -2.251 66 H TYR 13 H TYR 13 -13.012 -3.483 -1.718 67 HA TYR 13 HA TYR 13 -10.988 -1.817 -3.036 68 HB2 TYR 13 1HB TYR 13 -11.718 -1.848 -0.105 69 HB3 TYR 13 2HB TYR 13 -10.777 -0.631 -0.960 70 HD1 TYR 13 HD1 TYR 13 -11.977 0.712 -2.793 71 HD2 TYR 13 HD2 TYR 13 -14.029 -1.602 0.130 72 HE1 TYR 13 HE1 TYR 13 -14.026 2.004 -3.217 73 HE2 TYR 13 HE2 TYR 13 -16.084 -0.317 -0.288 74 HH TYR 13 HH TYR 13 -16.495 2.227 -1.269 75 H GLU 14 H GLU 14 -9.082 -2.747 -3.338 76 HA GLU 14 HA GLU 14 -7.869 -4.243 -1.142 77 HB2 GLU 14 1HB GLU 14 -8.813 -6.005 -2.465 78 HB3 GLU 14 2HB GLU 14 -8.207 -5.290 -3.952 79 HG2 GLU 14 1HG GLU 14 -6.238 -6.044 -1.865 80 HG3 GLU 14 2HG GLU 14 -7.007 -7.330 -2.794 81 H CYS 15 H CYS 15 -5.747 -3.836 -0.897 82 HA CYS 15 HA CYS 15 -4.537 -1.881 -2.664 83 HB2 CYS 15 1HB CYS 15 -4.425 -1.852 -0.101 84 HB3 CYS 15 2HB CYS 15 -3.239 -3.143 -0.255 85 H LYS 16 H LYS 16 -2.227 -2.165 -3.310 86 HA LYS 16 HA LYS 16 -1.736 -4.950 -4.141 87 HB2 LYS 16 1HB LYS 16 -2.271 -3.048 -5.878 88 HB3 LYS 16 2HB LYS 16 -0.584 -2.621 -5.626 89 HG2 LYS 16 1HG LYS 16 -0.442 -4.023 -7.435 90 HG3 LYS 16 2HG LYS 16 -0.158 -5.145 -6.102 91 HD2 LYS 16 1HD LYS 16 -1.708 -6.267 -7.427 92 HD3 LYS 16 2HD LYS 16 -2.707 -5.529 -6.173 93 HE2 LYS 16 1HE LYS 16 -3.506 -3.878 -7.619 94 HE3 LYS 16 2HE LYS 16 -2.200 -4.130 -8.776 95 HZ1 LYS 16 3HZ LYS 16 -4.262 -6.181 -8.208 96 HZ2 LYS 16 1HZ LYS 16 -3.157 -6.148 -9.489 97 HZ3 LYS 16 2HZ LYS 16 -4.425 -5.031 -9.438 98 H VAL 17 H VAL 17 -0.328 -1.978 -2.918 99 HA VAL 17 HA VAL 17 2.375 -2.770 -2.950 100 HB VAL 17 HB VAL 17 0.992 -0.845 -1.075 101 HG11 VAL 17 1HG1 VAL 17 3.287 0.123 -0.842 102 HG12 VAL 17 2HG1 VAL 17 3.088 -1.475 -0.118 103 HG13 VAL 17 3HG1 VAL 17 3.910 -1.304 -1.670 104 HG21 VAL 17 3HG2 VAL 17 2.684 0.166 -3.254 105 HG22 VAL 17 1HG2 VAL 17 1.192 -0.620 -3.771 106 HG23 VAL 17 2HG2 VAL 17 1.129 0.748 -2.659 107 H CYS 18 H CYS 18 -0.068 -2.914 -0.366 108 HA CYS 18 HA CYS 18 1.701 -4.753 1.102 109 HB2 CYS 18 1HB CYS 18 0.498 -4.124 3.118 110 HB3 CYS 18 2HB CYS 18 1.089 -2.678 2.306 111 H SER 19 H SER 19 -1.241 -4.490 -0.605 112 HA SER 19 HA SER 19 -2.743 -6.093 -1.237 113 HB2 SER 19 1HB SER 19 -0.716 -7.650 -0.966 114 HB3 SER 19 2HB SER 19 -1.396 -8.062 0.608 115 HG SER 19 HG SER 19 -3.108 -8.160 -1.586 116 H LYS 20 H LYS 20 -2.923 -4.368 1.170 117 HA LYS 20 HA LYS 20 -4.599 -5.950 2.963 118 HB2 LYS 20 1HB LYS 20 -2.892 -4.344 3.856 119 HB3 LYS 20 2HB LYS 20 -3.843 -3.031 3.173 120 HG2 LYS 20 1HG LYS 20 -5.482 -3.213 4.743 121 HG3 LYS 20 2HG LYS 20 -5.214 -4.941 4.984 122 HD2 LYS 20 1HD LYS 20 -4.433 -3.965 6.960 123 HD3 LYS 20 2HD LYS 20 -2.968 -4.246 6.016 124 HE2 LYS 20 1HE LYS 20 -2.662 -2.008 5.577 125 HE3 LYS 20 2HE LYS 20 -4.374 -1.629 5.764 126 HZ1 LYS 20 3HZ LYS 20 -2.753 -2.498 8.073 127 HZ2 LYS 20 1HZ LYS 20 -4.203 -1.626 8.063 128 HZ3 LYS 20 2HZ LYS 20 -2.764 -0.879 7.581 129 H ALA 21 H ALA 21 -6.699 -6.116 2.581 130 HA ALA 21 HA ALA 21 -8.021 -4.163 0.863 131 HB1 ALA 21 3HB ALA 21 -8.396 -6.974 1.482 132 HB2 ALA 21 1HB ALA 21 -9.906 -6.064 1.544 133 HB3 ALA 21 2HB ALA 21 -8.923 -6.044 0.079 134 H PHE 22 H PHE 22 -10.175 -3.364 1.453 135 HA PHE 22 HA PHE 22 -10.701 -3.234 4.327 136 HB2 PHE 22 1HB PHE 22 -10.645 -0.735 2.633 137 HB3 PHE 22 2HB PHE 22 -10.826 -0.848 4.381 138 HD1 PHE 22 HD1 PHE 22 -8.449 -1.356 1.594 139 HD2 PHE 22 HD2 PHE 22 -8.953 -0.884 5.794 140 HE1 PHE 22 HE1 PHE 22 -6.015 -1.114 1.856 141 HE2 PHE 22 HE2 PHE 22 -6.519 -0.641 6.062 142 HZ PHE 22 HZ PHE 22 -5.047 -0.755 4.092 143 H THR 23 H THR 23 -12.842 -2.952 4.866 144 HA THR 23 HA THR 23 -14.770 -3.753 2.966 145 HB THR 23 HB THR 23 -16.435 -3.355 4.703 146 HG1 THR 23 HG1 THR 23 -15.463 -1.375 5.499 147 HG21 THR 23 3HG2 THR 23 -15.242 -5.404 4.945 148 HG22 THR 23 1HG2 THR 23 -15.369 -4.695 6.554 149 HG23 THR 23 2HG2 THR 23 -13.853 -4.585 5.659 150 H GLN 24 H GLN 24 -13.892 -0.605 4.297 151 HA GLN 24 HA GLN 24 -15.787 0.654 2.426 152 HB2 GLN 24 1HB GLN 24 -14.691 1.583 5.074 153 HB3 GLN 24 2HB GLN 24 -15.472 2.684 3.947 154 HG2 GLN 24 1HG GLN 24 -17.541 1.578 4.141 155 HG3 GLN 24 2HG GLN 24 -16.810 0.193 4.950 156 HE21 GLN 24 1HE2 GLN 24 -16.935 0.133 7.077 157 HE22 GLN 24 2HE2 GLN 24 -17.275 1.473 8.112 158 H LYS 25 H LYS 25 -15.060 2.845 1.643 159 HA LYS 25 HA LYS 25 -12.418 2.571 0.507 160 HB2 LYS 25 1HB LYS 25 -13.008 4.382 -0.923 161 HB3 LYS 25 2HB LYS 25 -14.433 3.362 -0.782 162 HG2 LYS 25 1HG LYS 25 -14.089 5.725 1.014 163 HG3 LYS 25 2HG LYS 25 -14.686 5.928 -0.634 164 HD2 LYS 25 1HD LYS 25 -16.290 3.949 0.105 165 HD3 LYS 25 2HD LYS 25 -15.961 4.613 1.707 166 HE2 LYS 25 1HE LYS 25 -16.600 6.867 0.764 167 HE3 LYS 25 2HE LYS 25 -17.175 6.012 -0.667 168 HZ1 LYS 25 3HZ LYS 25 -19.090 5.943 0.467 169 HZ2 LYS 25 1HZ LYS 25 -18.353 6.204 1.967 170 HZ3 LYS 25 2HZ LYS 25 -18.382 4.651 1.297 171 H ALA 26 H ALA 26 -13.997 4.473 2.966 172 HA ALA 26 HA ALA 26 -12.195 6.582 3.228 173 HB1 ALA 26 3HB ALA 26 -13.995 5.203 5.193 174 HB2 ALA 26 1HB ALA 26 -12.963 6.551 5.671 175 HB3 ALA 26 2HB ALA 26 -14.191 6.779 4.427 176 H HIS 27 H HIS 27 -12.078 3.304 4.526 177 HA HIS 27 HA HIS 27 -9.814 3.717 6.189 178 HB2 HIS 27 1HB HIS 27 -10.768 1.117 4.975 179 HB3 HIS 27 2HB HIS 27 -9.739 1.305 6.393 180 HD1 HIS 27 HD1 HIS 27 -12.659 -0.078 6.181 181 HD2 HIS 27 HD2 HIS 27 -11.716 3.608 7.850 182 HE1 HIS 27 HE1 HIS 27 -14.507 0.413 7.815 183 H LEU 28 H LEU 28 -10.181 2.241 2.970 184 HA LEU 28 HA LEU 28 -7.465 1.697 2.544 185 HB2 LEU 28 1HB LEU 28 -9.029 0.638 1.140 186 HB3 LEU 28 2HB LEU 28 -9.770 2.169 0.679 187 HG LEU 28 HG LEU 28 -7.405 2.626 -0.376 188 HD11 LEU 28 1HD1 LEU 28 -7.425 -0.295 0.149 189 HD12 LEU 28 2HD1 LEU 28 -6.079 0.844 0.121 190 HD13 LEU 28 3HD1 LEU 28 -6.776 0.266 -1.392 191 HD21 LEU 28 3HD2 LEU 28 -8.309 1.215 -2.418 192 HD22 LEU 28 1HD2 LEU 28 -9.120 2.686 -1.881 193 HD23 LEU 28 2HD2 LEU 28 -9.747 1.109 -1.402 194 H ALA 29 H ALA 29 -9.406 4.388 1.226 195 HA ALA 29 HA ALA 29 -7.447 5.830 -0.018 196 HB1 ALA 29 3HB ALA 29 -9.071 7.730 1.300 197 HB2 ALA 29 1HB ALA 29 -9.194 7.150 -0.361 198 HB3 ALA 29 2HB ALA 29 -10.087 6.338 0.925 199 H GLN 30 H GLN 30 -8.323 5.998 3.423 200 HA GLN 30 HA GLN 30 -6.434 7.981 4.109 201 HB2 GLN 30 1HB GLN 30 -8.448 7.263 5.463 202 HB3 GLN 30 2HB GLN 30 -7.519 5.852 5.952 203 HG2 GLN 30 1HG GLN 30 -6.075 7.080 7.249 204 HG3 GLN 30 2HG GLN 30 -6.363 8.568 6.349 205 HE21 GLN 30 1HE2 GLN 30 -6.443 9.147 8.777 206 HE22 GLN 30 2HE2 GLN 30 -8.026 9.192 9.469 207 H HIS 31 H HIS 31 -6.269 4.479 3.930 208 HA HIS 31 HA HIS 31 -3.791 4.178 5.268 209 HB2 HIS 31 1HB HIS 31 -4.908 2.169 5.131 210 HB3 HIS 31 2HB HIS 31 -5.475 2.473 3.492 211 HD1 HIS 31 HD1 HIS 31 -2.167 1.727 5.224 212 HD2 HIS 31 HD2 HIS 31 -4.142 1.033 1.635 213 HE1 HIS 31 HE1 HIS 31 -0.642 0.233 3.895 214 H GLN 32 H GLN 32 -4.618 4.307 1.808 215 HA GLN 32 HA GLN 32 -2.229 3.932 0.607 216 HB2 GLN 32 1HB GLN 32 -4.454 5.842 -0.002 217 HB3 GLN 32 2HB GLN 32 -2.998 5.858 -0.988 218 HG2 GLN 32 1HG GLN 32 -3.327 3.521 -1.551 219 HG3 GLN 32 2HG GLN 32 -4.754 3.459 -0.519 220 HE21 GLN 32 1HE2 GLN 32 -3.719 3.774 -3.619 221 HE22 GLN 32 2HE2 GLN 32 -5.104 4.540 -4.312 222 H LYS 33 H LYS 33 -3.133 6.652 2.576 223 HA LYS 33 HA LYS 33 -1.268 8.555 1.830 224 HB2 LYS 33 1HB LYS 33 -2.390 7.889 4.553 225 HB3 LYS 33 2HB LYS 33 -1.389 9.302 4.245 226 HG2 LYS 33 1HG LYS 33 -3.020 10.202 2.735 227 HG3 LYS 33 2HG LYS 33 -3.987 8.729 2.837 228 HD2 LYS 33 1HD LYS 33 -4.392 9.149 5.207 229 HD3 LYS 33 2HD LYS 33 -3.395 10.603 5.130 230 HE2 LYS 33 1HE LYS 33 -4.984 11.449 3.361 231 HE3 LYS 33 2HE LYS 33 -6.031 10.091 3.768 232 HZ1 LYS 33 3HZ LYS 33 -6.017 12.536 4.981 233 HZ2 LYS 33 1HZ LYS 33 -5.200 11.545 6.082 234 HZ3 LYS 33 2HZ LYS 33 -6.759 11.135 5.573 235 H THR 34 H THR 34 -0.895 5.912 4.176 236 HA THR 34 HA THR 34 1.722 6.492 4.975 237 HB THR 34 HB THR 34 0.207 4.851 6.100 238 HG1 THR 34 HG1 THR 34 1.924 3.570 6.749 239 HG21 THR 34 3HG2 THR 34 1.103 2.603 4.467 240 HG22 THR 34 1HG2 THR 34 0.020 3.697 3.608 241 HG23 THR 34 2HG2 THR 34 -0.494 2.957 5.124 242 H HIS 35 H HIS 35 0.490 4.924 2.120 243 HA HIS 35 HA HIS 35 3.014 3.791 1.334 244 HB2 HIS 35 1HB HIS 35 0.303 4.026 0.087 245 HB3 HIS 35 2HB HIS 35 1.682 3.621 -0.930 246 HD1 HIS 35 HD1 HIS 35 3.166 1.730 1.021 247 HD2 HIS 35 HD2 HIS 35 -0.913 1.589 0.244 248 HE1 HIS 35 HE1 HIS 35 2.454 -0.614 1.590 249 H THR 36 H THR 36 1.046 6.560 0.292 250 HA THR 36 HA THR 36 3.256 7.508 -1.373 251 HB THR 36 HB THR 36 1.588 9.290 -2.059 252 HG1 THR 36 HG1 THR 36 0.254 8.664 -0.059 253 HG21 THR 36 3HG2 THR 36 0.747 7.957 -3.730 254 HG22 THR 36 1HG2 THR 36 0.385 6.624 -2.635 255 HG23 THR 36 2HG2 THR 36 2.049 6.925 -3.138 256 H GLY 37 H GLY 37 4.761 8.549 -0.200 257 HA2 GLY 37 1HA GLY 37 4.524 11.101 0.707 258 HA3 GLY 37 2HA GLY 37 4.072 10.137 2.105 259 H GLU 38 H GLU 38 5.630 9.173 3.310 260 HA GLU 38 HA GLU 38 8.352 9.991 2.803 261 HB2 GLU 38 1HB GLU 38 8.830 8.972 4.992 262 HB3 GLU 38 2HB GLU 38 7.484 10.101 5.073 263 HG2 GLU 38 1HG GLU 38 6.848 8.258 6.372 264 HG3 GLU 38 2HG GLU 38 5.959 8.100 4.859 265 H LYS 39 H LYS 39 10.137 8.358 3.149 266 HA LYS 39 HA LYS 39 10.473 6.624 1.168 267 HB2 LYS 39 1HB LYS 39 12.102 7.098 3.028 268 HB3 LYS 39 2HB LYS 39 11.268 5.881 3.985 269 HG2 LYS 39 1HG LYS 39 11.777 4.233 2.171 270 HG3 LYS 39 2HG LYS 39 12.788 5.472 1.423 271 HD2 LYS 39 1HD LYS 39 14.143 5.588 3.464 272 HD3 LYS 39 2HD LYS 39 13.137 4.338 4.199 273 HE2 LYS 39 1HE LYS 39 15.008 3.182 3.408 274 HE3 LYS 39 2HE LYS 39 13.775 2.901 2.180 275 HZ1 LYS 39 3HZ LYS 39 16.280 3.834 1.719 276 HZ2 LYS 39 1HZ LYS 39 15.349 5.246 1.676 277 HZ3 LYS 39 2HZ LYS 39 14.975 3.956 0.649 278 HA PRO 40 HA PRO 40 6.932 3.882 1.956 279 HB2 PRO 40 1HB PRO 40 6.743 3.049 -0.622 280 HB3 PRO 40 2HB PRO 40 6.042 4.568 -0.049 281 HG2 PRO 40 1HG PRO 40 8.617 4.100 -1.502 282 HG3 PRO 40 2HG PRO 40 7.404 5.368 -1.755 283 HD2 PRO 40 1HD PRO 40 9.699 5.799 -0.383 284 HD3 PRO 40 2HD PRO 40 8.183 6.638 0.004 285 H SER 41 H SER 41 7.941 2.292 3.153 286 HA SER 41 HA SER 41 9.914 0.556 1.954 287 HB2 SER 41 1HB SER 41 10.039 1.212 4.346 288 HB3 SER 41 2HB SER 41 8.540 0.331 4.643 289 HG SER 41 HG SER 41 9.905 -1.241 5.025 290 H GLY 42 H GLY 42 8.828 -0.471 0.264 291 HA2 GLY 42 1HA GLY 42 7.458 -2.861 0.973 292 HA3 GLY 42 2HA GLY 42 6.334 -1.673 0.331 293 HA PRO 43 HA PRO 43 8.515 -4.137 -3.082 294 HB2 PRO 43 1HB PRO 43 6.371 -5.588 -3.901 295 HB3 PRO 43 2HB PRO 43 7.493 -6.151 -2.657 296 HG2 PRO 43 1HG PRO 43 4.805 -4.870 -2.345 297 HG3 PRO 43 2HG PRO 43 5.492 -6.255 -1.476 298 HD2 PRO 43 1HD PRO 43 5.421 -3.763 -0.420 299 HD3 PRO 43 2HD PRO 43 6.721 -4.916 -0.058 300 H SER 44 H SER 44 8.698 -2.614 -4.616 301 HA SER 44 HA SER 44 6.724 -0.806 -5.407 302 HB2 SER 44 1HB SER 44 8.185 -0.468 -7.441 303 HB3 SER 44 2HB SER 44 9.019 -0.314 -5.895 304 HG SER 44 HG SER 44 9.444 -2.072 -7.913 305 H SER 45 H SER 45 7.836 -3.759 -7.064 306 HA SER 45 HA SER 45 5.215 -3.875 -8.405 307 HB2 SER 45 1HB SER 45 7.965 -4.191 -9.554 308 HB3 SER 45 2HB SER 45 6.621 -5.082 -10.267 309 HG SER 45 HG SER 45 5.631 -2.772 -10.100 310 H GLY 46 H GLY 46 4.257 -5.427 -7.186 311 HA2 GLY 46 1HA GLY 46 4.677 -8.104 -7.658 312 HA3 GLY 46 2HA GLY 46 5.642 -7.742 -6.234 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -2.682 -19.414 1.568 2 HA2 GLY 1 1HA GLY 1 -2.164 -21.666 3.228 3 HA3 GLY 1 2HA GLY 1 -3.570 -20.783 3.804 4 H SER 2 H SER 2 -3.896 -23.356 3.029 5 HA SER 2 HA SER 2 -4.607 -23.623 0.280 6 HB2 SER 2 1HB SER 2 -5.268 -25.312 2.702 7 HB3 SER 2 2HB SER 2 -5.689 -25.757 1.048 8 HG SER 2 HG SER 2 -3.217 -25.248 0.828 9 H SER 3 H SER 3 -6.814 -24.164 -0.457 10 HA SER 3 HA SER 3 -8.715 -22.254 0.666 11 HB2 SER 3 1HB SER 3 -8.925 -23.854 -1.894 12 HB3 SER 3 2HB SER 3 -9.932 -22.487 -1.419 13 HG SER 3 HG SER 3 -8.102 -22.071 -2.908 14 H GLY 4 H GLY 4 -10.914 -22.822 1.079 15 HA2 GLY 4 1HA GLY 4 -12.477 -24.845 1.005 16 HA3 GLY 4 2HA GLY 4 -11.195 -25.638 1.908 17 H SER 5 H SER 5 -10.465 -23.567 3.630 18 HA SER 5 HA SER 5 -11.901 -23.903 5.852 19 HB2 SER 5 1HB SER 5 -9.930 -22.525 5.905 20 HB3 SER 5 2HB SER 5 -10.695 -21.299 4.895 21 HG SER 5 HG SER 5 -11.397 -20.447 6.669 22 H SER 6 H SER 6 -13.904 -23.577 6.557 23 HA SER 6 HA SER 6 -15.976 -22.671 4.950 24 HB2 SER 6 1HB SER 6 -16.405 -24.071 6.883 25 HB3 SER 6 2HB SER 6 -15.823 -22.810 7.970 26 HG SER 6 HG SER 6 -18.280 -23.153 6.969 27 H GLY 7 H GLY 7 -16.197 -20.700 4.120 28 HA2 GLY 7 1HA GLY 7 -17.018 -18.439 4.838 29 HA3 GLY 7 2HA GLY 7 -15.587 -18.388 5.857 30 H THR 8 H THR 8 -16.355 -16.516 3.797 31 HA THR 8 HA THR 8 -13.924 -16.683 2.169 32 HB THR 8 HB THR 8 -15.676 -17.501 0.698 33 HG1 THR 8 HG1 THR 8 -14.811 -14.840 0.169 34 HG21 THR 8 3HG2 THR 8 -17.421 -15.592 0.078 35 HG22 THR 8 1HG2 THR 8 -17.140 -15.142 1.760 36 HG23 THR 8 2HG2 THR 8 -17.731 -16.757 1.366 37 H GLY 9 H GLY 9 -12.965 -14.728 1.713 38 HA2 GLY 9 1HA GLY 9 -14.270 -12.362 2.912 39 HA3 GLY 9 2HA GLY 9 -12.539 -12.655 2.997 40 H GLU 10 H GLU 10 -15.105 -11.325 1.171 41 HA GLU 10 HA GLU 10 -13.218 -10.640 -0.987 42 HB2 GLU 10 1HB GLU 10 -15.012 -10.632 -2.559 43 HB3 GLU 10 2HB GLU 10 -15.117 -12.140 -1.663 44 HG2 GLU 10 1HG GLU 10 -17.317 -11.350 -1.859 45 HG3 GLU 10 2HG GLU 10 -16.831 -11.011 -0.199 46 H LYS 11 H LYS 11 -13.010 -8.533 -1.556 47 HA LYS 11 HA LYS 11 -14.876 -6.558 -0.501 48 HB2 LYS 11 1HB LYS 11 -11.946 -6.673 0.193 49 HB3 LYS 11 2HB LYS 11 -12.867 -5.177 0.283 50 HG2 LYS 11 1HG LYS 11 -14.099 -5.879 2.082 51 HG3 LYS 11 2HG LYS 11 -13.903 -7.589 1.688 52 HD2 LYS 11 1HD LYS 11 -11.488 -7.370 2.298 53 HD3 LYS 11 2HD LYS 11 -11.835 -5.733 2.862 54 HE2 LYS 11 1HE LYS 11 -13.648 -6.849 4.309 55 HE3 LYS 11 2HE LYS 11 -12.794 -8.352 3.966 56 HZ1 LYS 11 3HZ LYS 11 -11.881 -7.593 5.953 57 HZ2 LYS 11 1HZ LYS 11 -11.819 -5.983 5.437 58 HZ3 LYS 11 2HZ LYS 11 -10.745 -7.119 4.792 59 HA PRO 12 HA PRO 12 -14.144 -4.800 -4.479 60 HB2 PRO 12 1HB PRO 12 -15.198 -2.340 -4.022 61 HB3 PRO 12 2HB PRO 12 -16.192 -3.787 -4.234 62 HG2 PRO 12 1HG PRO 12 -15.357 -2.416 -1.707 63 HG3 PRO 12 2HG PRO 12 -16.940 -3.084 -2.147 64 HD2 PRO 12 1HD PRO 12 -15.201 -4.396 -0.540 65 HD3 PRO 12 2HD PRO 12 -16.311 -5.242 -1.637 66 H TYR 13 H TYR 13 -12.950 -3.357 -1.537 67 HA TYR 13 HA TYR 13 -11.044 -1.735 -3.083 68 HB2 TYR 13 1HB TYR 13 -11.674 -1.501 -0.137 69 HB3 TYR 13 2HB TYR 13 -10.762 -0.366 -1.127 70 HD1 TYR 13 HD1 TYR 13 -12.038 0.763 -3.072 71 HD2 TYR 13 HD2 TYR 13 -13.960 -1.192 0.181 72 HE1 TYR 13 HE1 TYR 13 -14.102 2.012 -3.550 73 HE2 TYR 13 HE2 TYR 13 -16.030 0.050 -0.288 74 HH TYR 13 HH TYR 13 -16.623 1.635 -3.116 75 H GLU 14 H GLU 14 -9.112 -2.621 -3.341 76 HA GLU 14 HA GLU 14 -7.900 -4.056 -1.087 77 HB2 GLU 14 1HB GLU 14 -8.888 -5.596 -2.898 78 HB3 GLU 14 2HB GLU 14 -7.572 -5.029 -3.915 79 HG2 GLU 14 1HG GLU 14 -5.946 -5.874 -2.329 80 HG3 GLU 14 2HG GLU 14 -7.242 -6.390 -1.251 81 H CYS 15 H CYS 15 -5.718 -3.769 -0.837 82 HA CYS 15 HA CYS 15 -4.559 -1.555 -2.301 83 HB2 CYS 15 1HB CYS 15 -4.401 -2.022 0.253 84 HB3 CYS 15 2HB CYS 15 -3.122 -3.146 -0.196 85 H LYS 16 H LYS 16 -2.257 -1.706 -3.025 86 HA LYS 16 HA LYS 16 -1.823 -4.271 -4.403 87 HB2 LYS 16 1HB LYS 16 -1.396 -1.434 -5.189 88 HB3 LYS 16 2HB LYS 16 -0.242 -2.619 -5.788 89 HG2 LYS 16 1HG LYS 16 -1.812 -2.528 -7.477 90 HG3 LYS 16 2HG LYS 16 -2.329 -3.934 -6.543 91 HD2 LYS 16 1HD LYS 16 -4.283 -2.671 -7.010 92 HD3 LYS 16 2HD LYS 16 -3.899 -2.395 -5.309 93 HE2 LYS 16 1HE LYS 16 -2.874 -0.266 -5.862 94 HE3 LYS 16 2HE LYS 16 -3.156 -0.551 -7.578 95 HZ1 LYS 16 3HZ LYS 16 -5.545 -0.765 -6.013 96 HZ2 LYS 16 1HZ LYS 16 -5.246 0.149 -7.405 97 HZ3 LYS 16 2HZ LYS 16 -4.829 0.763 -5.885 98 H VAL 17 H VAL 17 -0.343 -1.790 -2.423 99 HA VAL 17 HA VAL 17 2.312 -2.817 -2.559 100 HB VAL 17 HB VAL 17 1.089 -1.074 -0.416 101 HG11 VAL 17 1HG1 VAL 17 3.273 -0.510 0.236 102 HG12 VAL 17 2HG1 VAL 17 3.299 -2.263 0.037 103 HG13 VAL 17 3HG1 VAL 17 3.981 -1.223 -1.213 104 HG21 VAL 17 3HG2 VAL 17 1.421 -0.495 -3.119 105 HG22 VAL 17 1HG2 VAL 17 1.153 0.659 -1.812 106 HG23 VAL 17 2HG2 VAL 17 2.796 0.268 -2.322 107 H CYS 18 H CYS 18 -0.060 -2.835 0.111 108 HA CYS 18 HA CYS 18 1.333 -5.162 1.238 109 HB2 CYS 18 1HB CYS 18 0.156 -4.630 3.329 110 HB3 CYS 18 2HB CYS 18 1.082 -3.250 2.747 111 H SER 19 H SER 19 -0.798 -4.949 -0.983 112 HA SER 19 HA SER 19 -2.800 -5.936 -1.570 113 HB2 SER 19 1HB SER 19 -0.924 -7.698 -1.637 114 HB3 SER 19 2HB SER 19 -1.645 -8.337 -0.160 115 HG SER 19 HG SER 19 -2.736 -9.418 -1.652 116 H LYS 20 H LYS 20 -2.932 -4.607 1.003 117 HA LYS 20 HA LYS 20 -4.532 -6.342 2.692 118 HB2 LYS 20 1HB LYS 20 -2.895 -4.639 3.589 119 HB3 LYS 20 2HB LYS 20 -4.004 -3.389 3.039 120 HG2 LYS 20 1HG LYS 20 -5.742 -4.289 4.505 121 HG3 LYS 20 2HG LYS 20 -4.622 -5.534 5.062 122 HD2 LYS 20 1HD LYS 20 -3.117 -3.767 5.897 123 HD3 LYS 20 2HD LYS 20 -4.295 -2.552 5.395 124 HE2 LYS 20 1HE LYS 20 -4.801 -2.815 7.632 125 HE3 LYS 20 2HE LYS 20 -5.940 -3.922 6.869 126 HZ1 LYS 20 3HZ LYS 20 -3.693 -4.489 8.599 127 HZ2 LYS 20 1HZ LYS 20 -3.821 -5.511 7.256 128 HZ3 LYS 20 2HZ LYS 20 -5.112 -5.373 8.340 129 H ALA 21 H ALA 21 -6.660 -6.544 2.526 130 HA ALA 21 HA ALA 21 -8.136 -4.691 0.817 131 HB1 ALA 21 3HB ALA 21 -9.663 -6.360 0.457 132 HB2 ALA 21 1HB ALA 21 -8.213 -7.317 0.763 133 HB3 ALA 21 2HB ALA 21 -9.406 -7.090 2.042 134 H PHE 22 H PHE 22 -9.963 -3.570 1.483 135 HA PHE 22 HA PHE 22 -10.412 -3.475 4.393 136 HB2 PHE 22 1HB PHE 22 -10.505 -1.143 2.467 137 HB3 PHE 22 2HB PHE 22 -10.824 -1.067 4.197 138 HD1 PHE 22 HD1 PHE 22 -8.215 -1.671 1.661 139 HD2 PHE 22 HD2 PHE 22 -9.065 -0.915 5.763 140 HE1 PHE 22 HE1 PHE 22 -5.824 -1.261 2.078 141 HE2 PHE 22 HE2 PHE 22 -6.676 -0.503 6.186 142 HZ PHE 22 HZ PHE 22 -5.053 -0.676 4.342 143 H THR 23 H THR 23 -12.571 -2.304 4.870 144 HA THR 23 HA THR 23 -14.617 -3.678 3.310 145 HB THR 23 HB THR 23 -16.153 -2.965 5.151 146 HG1 THR 23 HG1 THR 23 -13.747 -2.094 6.409 147 HG21 THR 23 3HG2 THR 23 -14.863 -5.140 5.120 148 HG22 THR 23 1HG2 THR 23 -15.399 -4.593 6.708 149 HG23 THR 23 2HG2 THR 23 -13.717 -4.379 6.222 150 H GLN 24 H GLN 24 -13.756 -0.408 4.355 151 HA GLN 24 HA GLN 24 -15.601 0.637 2.311 152 HB2 GLN 24 1HB GLN 24 -15.065 1.626 5.098 153 HB3 GLN 24 2HB GLN 24 -15.679 2.707 3.854 154 HG2 GLN 24 1HG GLN 24 -17.453 0.769 3.560 155 HG3 GLN 24 2HG GLN 24 -17.010 0.448 5.235 156 HE21 GLN 24 1HE2 GLN 24 -18.920 1.076 6.134 157 HE22 GLN 24 2HE2 GLN 24 -19.486 2.708 6.131 158 H LYS 25 H LYS 25 -14.780 2.055 0.883 159 HA LYS 25 HA LYS 25 -12.131 2.294 0.324 160 HB2 LYS 25 1HB LYS 25 -13.988 3.052 -1.145 161 HB3 LYS 25 2HB LYS 25 -14.177 4.474 -0.128 162 HG2 LYS 25 1HG LYS 25 -12.008 5.278 -0.736 163 HG3 LYS 25 2HG LYS 25 -11.644 3.782 -1.597 164 HD2 LYS 25 1HD LYS 25 -12.246 5.184 -3.329 165 HD3 LYS 25 2HD LYS 25 -13.777 4.383 -2.973 166 HE2 LYS 25 1HE LYS 25 -13.141 6.902 -1.528 167 HE3 LYS 25 2HE LYS 25 -13.596 7.014 -3.227 168 HZ1 LYS 25 3HZ LYS 25 -15.384 7.062 -1.327 169 HZ2 LYS 25 1HZ LYS 25 -15.264 5.380 -1.464 170 HZ3 LYS 25 2HZ LYS 25 -15.702 6.308 -2.808 171 H ALA 26 H ALA 26 -14.035 4.595 2.259 172 HA ALA 26 HA ALA 26 -12.322 6.569 2.834 173 HB1 ALA 26 3HB ALA 26 -14.118 6.940 4.115 174 HB2 ALA 26 1HB ALA 26 -14.421 5.219 4.353 175 HB3 ALA 26 2HB ALA 26 -13.236 6.054 5.359 176 H HIS 27 H HIS 27 -12.154 3.320 4.231 177 HA HIS 27 HA HIS 27 -9.974 3.860 5.963 178 HB2 HIS 27 1HB HIS 27 -11.336 1.406 4.952 179 HB3 HIS 27 2HB HIS 27 -9.747 1.229 5.691 180 HD1 HIS 27 HD1 HIS 27 -12.708 0.356 6.789 181 HD2 HIS 27 HD2 HIS 27 -10.246 3.411 8.155 182 HE1 HIS 27 HE1 HIS 27 -13.417 0.780 9.164 183 H LEU 28 H LEU 28 -10.174 2.382 2.739 184 HA LEU 28 HA LEU 28 -7.459 1.804 2.421 185 HB2 LEU 28 1HB LEU 28 -9.091 0.885 0.927 186 HB3 LEU 28 2HB LEU 28 -9.578 2.493 0.395 187 HG LEU 28 HG LEU 28 -7.166 2.695 -0.492 188 HD11 LEU 28 1HD1 LEU 28 -7.322 -0.297 -0.556 189 HD12 LEU 28 2HD1 LEU 28 -6.516 0.555 0.761 190 HD13 LEU 28 3HD1 LEU 28 -5.945 0.751 -0.896 191 HD21 LEU 28 3HD2 LEU 28 -7.833 1.348 -2.551 192 HD22 LEU 28 1HD2 LEU 28 -8.923 2.639 -2.045 193 HD23 LEU 28 2HD2 LEU 28 -9.314 0.959 -1.674 194 H ALA 29 H ALA 29 -9.276 4.638 1.243 195 HA ALA 29 HA ALA 29 -7.186 6.058 0.133 196 HB1 ALA 29 3HB ALA 29 -9.857 6.690 1.132 197 HB2 ALA 29 1HB ALA 29 -8.732 8.047 1.200 198 HB3 ALA 29 2HB ALA 29 -9.035 7.228 -0.333 199 H GLN 30 H GLN 30 -8.300 6.080 3.505 200 HA GLN 30 HA GLN 30 -6.415 7.999 4.397 201 HB2 GLN 30 1HB GLN 30 -8.178 5.997 5.769 202 HB3 GLN 30 2HB GLN 30 -6.981 6.901 6.687 203 HG2 GLN 30 1HG GLN 30 -8.002 8.997 5.937 204 HG3 GLN 30 2HG GLN 30 -9.215 8.077 5.049 205 HE21 GLN 30 1HE2 GLN 30 -10.693 6.775 6.253 206 HE22 GLN 30 2HE2 GLN 30 -11.084 7.183 7.885 207 H HIS 31 H HIS 31 -6.193 4.655 3.686 208 HA HIS 31 HA HIS 31 -3.858 4.201 5.341 209 HB2 HIS 31 1HB HIS 31 -5.030 2.228 5.197 210 HB3 HIS 31 2HB HIS 31 -5.561 2.539 3.547 211 HD1 HIS 31 HD1 HIS 31 -2.211 1.861 5.239 212 HD2 HIS 31 HD2 HIS 31 -4.350 0.866 1.820 213 HE1 HIS 31 HE1 HIS 31 -0.744 0.260 3.971 214 H GLN 32 H GLN 32 -4.496 3.959 1.836 215 HA GLN 32 HA GLN 32 -2.047 3.629 0.806 216 HB2 GLN 32 1HB GLN 32 -4.162 5.561 -0.143 217 HB3 GLN 32 2HB GLN 32 -2.733 5.158 -1.086 218 HG2 GLN 32 1HG GLN 32 -3.484 2.726 -0.833 219 HG3 GLN 32 2HG GLN 32 -5.031 3.398 -0.321 220 HE21 GLN 32 1HE2 GLN 32 -3.205 2.401 -2.920 221 HE22 GLN 32 2HE2 GLN 32 -4.134 3.113 -4.191 222 H LYS 33 H LYS 33 -3.229 6.590 2.273 223 HA LYS 33 HA LYS 33 -1.423 8.474 1.516 224 HB2 LYS 33 1HB LYS 33 -1.960 9.656 3.440 225 HB3 LYS 33 2HB LYS 33 -3.332 8.567 3.280 226 HG2 LYS 33 1HG LYS 33 -2.420 7.098 4.958 227 HG3 LYS 33 2HG LYS 33 -0.952 8.073 5.057 228 HD2 LYS 33 1HD LYS 33 -2.093 9.877 6.048 229 HD3 LYS 33 2HD LYS 33 -3.673 9.228 5.603 230 HE2 LYS 33 1HE LYS 33 -3.485 7.472 7.201 231 HE3 LYS 33 2HE LYS 33 -1.791 7.851 7.508 232 HZ1 LYS 33 3HZ LYS 33 -3.312 8.667 9.249 233 HZ2 LYS 33 1HZ LYS 33 -4.051 9.679 8.112 234 HZ3 LYS 33 2HZ LYS 33 -2.426 9.910 8.520 235 H THR 34 H THR 34 -0.918 6.025 4.040 236 HA THR 34 HA THR 34 1.647 6.818 4.823 237 HB THR 34 HB THR 34 0.109 5.091 5.935 238 HG1 THR 34 HG1 THR 34 1.862 4.847 7.080 239 HG21 THR 34 3HG2 THR 34 -0.251 3.586 4.102 240 HG22 THR 34 1HG2 THR 34 0.679 2.731 5.331 241 HG23 THR 34 2HG2 THR 34 1.483 3.350 3.889 242 H HIS 35 H HIS 35 0.574 4.703 2.214 243 HA HIS 35 HA HIS 35 3.155 3.769 1.489 244 HB2 HIS 35 1HB HIS 35 0.510 3.861 0.050 245 HB3 HIS 35 2HB HIS 35 1.965 3.241 -0.725 246 HD1 HIS 35 HD1 HIS 35 3.120 1.668 1.693 247 HD2 HIS 35 HD2 HIS 35 -0.836 1.513 0.432 248 HE1 HIS 35 HE1 HIS 35 2.228 -0.524 2.544 249 H THR 36 H THR 36 4.573 5.479 1.284 250 HA THR 36 HA THR 36 4.365 7.921 0.210 251 HB THR 36 HB THR 36 6.687 7.751 -0.622 252 HG1 THR 36 HG1 THR 36 7.154 5.217 0.242 253 HG21 THR 36 3HG2 THR 36 6.346 6.306 2.005 254 HG22 THR 36 1HG2 THR 36 6.171 8.049 1.804 255 HG23 THR 36 2HG2 THR 36 7.726 7.277 1.492 256 H GLY 37 H GLY 37 3.966 8.879 -1.701 257 HA2 GLY 37 1HA GLY 37 2.984 7.300 -3.873 258 HA3 GLY 37 2HA GLY 37 3.157 9.049 -3.853 259 H GLU 38 H GLU 38 4.714 6.012 -4.587 260 HA GLU 38 HA GLU 38 7.276 6.685 -5.184 261 HB2 GLU 38 1HB GLU 38 7.247 4.949 -6.910 262 HB3 GLU 38 2HB GLU 38 6.385 4.426 -5.470 263 HG2 GLU 38 1HG GLU 38 4.979 5.601 -7.846 264 HG3 GLU 38 2HG GLU 38 5.332 3.880 -7.706 265 H LYS 39 H LYS 39 8.368 7.251 -7.180 266 HA LYS 39 HA LYS 39 8.778 8.925 -8.700 267 HB2 LYS 39 1HB LYS 39 7.628 6.926 -9.903 268 HB3 LYS 39 2HB LYS 39 6.252 8.012 -10.042 269 HG2 LYS 39 1HG LYS 39 8.011 9.658 -11.039 270 HG3 LYS 39 2HG LYS 39 8.938 8.182 -11.322 271 HD2 LYS 39 1HD LYS 39 6.084 8.546 -12.218 272 HD3 LYS 39 2HD LYS 39 7.476 8.929 -13.233 273 HE2 LYS 39 1HE LYS 39 8.252 6.594 -12.976 274 HE3 LYS 39 2HE LYS 39 6.792 6.237 -12.055 275 HZ1 LYS 39 3HZ LYS 39 6.539 7.411 -14.736 276 HZ2 LYS 39 1HZ LYS 39 5.476 6.389 -13.906 277 HZ3 LYS 39 2HZ LYS 39 6.888 5.762 -14.594 278 HA PRO 40 HA PRO 40 5.328 11.671 -7.004 279 HB2 PRO 40 1HB PRO 40 6.882 13.131 -5.323 280 HB3 PRO 40 2HB PRO 40 6.071 11.640 -4.830 281 HG2 PRO 40 1HG PRO 40 8.916 12.065 -5.658 282 HG3 PRO 40 2HG PRO 40 8.273 11.091 -4.323 283 HD2 PRO 40 1HD PRO 40 9.057 10.001 -6.675 284 HD3 PRO 40 2HD PRO 40 7.733 9.326 -5.704 285 H SER 41 H SER 41 5.005 13.824 -7.593 286 HA SER 41 HA SER 41 6.757 14.786 -9.677 287 HB2 SER 41 1HB SER 41 4.118 14.873 -9.514 288 HB3 SER 41 2HB SER 41 4.440 16.389 -8.672 289 HG SER 41 HG SER 41 5.411 17.189 -10.476 290 H GLY 42 H GLY 42 5.430 16.223 -6.687 291 HA2 GLY 42 1HA GLY 42 7.078 17.204 -5.125 292 HA3 GLY 42 2HA GLY 42 7.883 17.866 -6.540 293 HA PRO 43 HA PRO 43 3.762 20.313 -5.635 294 HB2 PRO 43 1HB PRO 43 3.142 20.387 -2.993 295 HB3 PRO 43 2HB PRO 43 2.489 19.173 -4.099 296 HG2 PRO 43 1HG PRO 43 4.772 18.951 -2.175 297 HG3 PRO 43 2HG PRO 43 3.477 17.788 -2.513 298 HD2 PRO 43 1HD PRO 43 5.962 17.546 -3.561 299 HD3 PRO 43 2HD PRO 43 4.507 17.005 -4.421 300 H SER 44 H SER 44 4.386 22.364 -5.812 301 HA SER 44 HA SER 44 6.535 23.381 -4.123 302 HB2 SER 44 1HB SER 44 6.505 23.699 -6.639 303 HB3 SER 44 2HB SER 44 5.161 24.815 -6.401 304 HG SER 44 HG SER 44 7.857 25.105 -5.768 305 H SER 45 H SER 45 5.929 24.180 -2.222 306 HA SER 45 HA SER 45 3.936 26.288 -2.145 307 HB2 SER 45 1HB SER 45 2.734 24.076 -1.749 308 HB3 SER 45 2HB SER 45 3.647 23.958 -0.245 309 HG SER 45 HG SER 45 2.640 25.776 0.506 310 H GLY 46 H GLY 46 4.770 27.891 -0.991 311 HA2 GLY 46 1HA GLY 46 7.073 27.444 0.690 312 HA3 GLY 46 2HA GLY 46 6.326 28.993 0.329 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -10.409 -24.831 -10.459 2 HA2 GLY 1 1HA GLY 1 -10.231 -26.282 -7.970 3 HA3 GLY 1 2HA GLY 1 -8.693 -25.632 -8.519 4 H SER 2 H SER 2 -10.844 -25.037 -6.317 5 HA SER 2 HA SER 2 -10.476 -22.142 -6.477 6 HB2 SER 2 1HB SER 2 -13.154 -23.477 -6.015 7 HB3 SER 2 2HB SER 2 -12.839 -21.756 -5.794 8 HG SER 2 HG SER 2 -13.470 -21.752 -7.827 9 H SER 3 H SER 3 -10.575 -21.071 -4.453 10 HA SER 3 HA SER 3 -10.320 -22.887 -2.146 11 HB2 SER 3 1HB SER 3 -8.264 -21.539 -2.997 12 HB3 SER 3 2HB SER 3 -9.060 -20.159 -2.240 13 HG SER 3 HG SER 3 -7.503 -21.551 -0.963 14 H GLY 4 H GLY 4 -12.148 -22.789 -1.004 15 HA2 GLY 4 1HA GLY 4 -13.800 -21.912 0.334 16 HA3 GLY 4 2HA GLY 4 -12.925 -20.388 0.296 17 H SER 5 H SER 5 -15.850 -21.423 -0.133 18 HA SER 5 HA SER 5 -16.352 -19.797 -2.540 19 HB2 SER 5 1HB SER 5 -18.260 -21.161 -3.042 20 HB3 SER 5 2HB SER 5 -16.910 -22.254 -2.734 21 HG SER 5 HG SER 5 -17.788 -22.835 -0.842 22 H SER 6 H SER 6 -17.574 -20.719 0.651 23 HA SER 6 HA SER 6 -19.811 -19.136 0.840 24 HB2 SER 6 1HB SER 6 -17.800 -20.078 2.848 25 HB3 SER 6 2HB SER 6 -19.038 -18.928 3.353 26 HG SER 6 HG SER 6 -20.214 -20.658 3.568 27 H GLY 7 H GLY 7 -19.841 -17.105 0.048 28 HA2 GLY 7 1HA GLY 7 -18.320 -15.092 1.497 29 HA3 GLY 7 2HA GLY 7 -17.993 -15.200 -0.226 30 H THR 8 H THR 8 -19.733 -13.576 2.023 31 HA THR 8 HA THR 8 -22.068 -13.139 0.311 32 HB THR 8 HB THR 8 -22.584 -13.528 2.646 33 HG1 THR 8 HG1 THR 8 -23.995 -12.078 1.765 34 HG21 THR 8 3HG2 THR 8 -21.313 -12.776 4.313 35 HG22 THR 8 1HG2 THR 8 -21.583 -11.106 3.817 36 HG23 THR 8 2HG2 THR 8 -20.251 -12.028 3.120 37 H GLY 9 H GLY 9 -19.160 -11.592 1.429 38 HA2 GLY 9 1HA GLY 9 -19.797 -9.292 -0.292 39 HA3 GLY 9 2HA GLY 9 -19.243 -9.011 1.352 40 H GLU 10 H GLU 10 -18.187 -8.715 -1.603 41 HA GLU 10 HA GLU 10 -15.531 -9.875 -1.095 42 HB2 GLU 10 1HB GLU 10 -15.196 -9.452 -3.582 43 HB3 GLU 10 2HB GLU 10 -16.334 -10.719 -3.147 44 HG2 GLU 10 1HG GLU 10 -17.216 -7.917 -3.755 45 HG3 GLU 10 2HG GLU 10 -17.010 -9.138 -5.010 46 H LYS 11 H LYS 11 -14.556 -8.302 0.108 47 HA LYS 11 HA LYS 11 -14.721 -5.636 0.140 48 HB2 LYS 11 1HB LYS 11 -12.206 -7.302 0.175 49 HB3 LYS 11 2HB LYS 11 -12.208 -5.577 0.519 50 HG2 LYS 11 1HG LYS 11 -12.310 -6.483 2.627 51 HG3 LYS 11 2HG LYS 11 -14.016 -6.196 2.278 52 HD2 LYS 11 1HD LYS 11 -14.473 -8.436 2.001 53 HD3 LYS 11 2HD LYS 11 -12.809 -8.830 1.563 54 HE2 LYS 11 1HE LYS 11 -12.100 -8.860 3.766 55 HE3 LYS 11 2HE LYS 11 -13.436 -7.849 4.316 56 HZ1 LYS 11 3HZ LYS 11 -14.167 -9.844 5.053 57 HZ2 LYS 11 1HZ LYS 11 -13.347 -10.730 3.868 58 HZ3 LYS 11 2HZ LYS 11 -14.795 -9.943 3.486 59 HA PRO 12 HA PRO 12 -13.995 -4.790 -4.260 60 HB2 PRO 12 1HB PRO 12 -15.218 -2.367 -4.206 61 HB3 PRO 12 2HB PRO 12 -16.106 -3.888 -4.353 62 HG2 PRO 12 1HG PRO 12 -15.633 -2.197 -1.928 63 HG3 PRO 12 2HG PRO 12 -17.120 -3.008 -2.454 64 HD2 PRO 12 1HD PRO 12 -15.510 -4.024 -0.529 65 HD3 PRO 12 2HD PRO 12 -16.445 -5.053 -1.632 66 H TYR 13 H TYR 13 -12.685 -3.617 -1.454 67 HA TYR 13 HA TYR 13 -10.953 -1.744 -2.928 68 HB2 TYR 13 1HB TYR 13 -11.581 -1.496 0.010 69 HB3 TYR 13 2HB TYR 13 -10.817 -0.309 -1.041 70 HD1 TYR 13 HD1 TYR 13 -12.290 0.562 -3.020 71 HD2 TYR 13 HD2 TYR 13 -13.846 -1.312 0.469 72 HE1 TYR 13 HE1 TYR 13 -14.479 1.599 -3.446 73 HE2 TYR 13 HE2 TYR 13 -16.039 -0.280 0.052 74 HH TYR 13 HH TYR 13 -16.780 1.983 -1.301 75 H GLU 14 H GLU 14 -9.083 -2.770 -3.226 76 HA GLU 14 HA GLU 14 -7.801 -4.004 -0.888 77 HB2 GLU 14 1HB GLU 14 -8.834 -5.636 -2.647 78 HB3 GLU 14 2HB GLU 14 -7.436 -5.192 -3.616 79 HG2 GLU 14 1HG GLU 14 -6.008 -5.869 -1.655 80 HG3 GLU 14 2HG GLU 14 -7.468 -6.546 -0.937 81 H CYS 15 H CYS 15 -5.735 -3.426 -0.581 82 HA CYS 15 HA CYS 15 -4.596 -1.376 -2.202 83 HB2 CYS 15 1HB CYS 15 -4.312 -1.923 0.368 84 HB3 CYS 15 2HB CYS 15 -2.962 -2.893 -0.211 85 H LYS 16 H LYS 16 -2.337 -1.513 -3.044 86 HA LYS 16 HA LYS 16 -1.957 -4.083 -4.428 87 HB2 LYS 16 1HB LYS 16 -1.070 -1.301 -5.212 88 HB3 LYS 16 2HB LYS 16 -0.692 -2.764 -6.112 89 HG2 LYS 16 1HG LYS 16 -3.270 -3.081 -6.166 90 HG3 LYS 16 2HG LYS 16 -3.304 -1.355 -5.800 91 HD2 LYS 16 1HD LYS 16 -2.020 -0.863 -7.781 92 HD3 LYS 16 2HD LYS 16 -1.803 -2.583 -8.112 93 HE2 LYS 16 1HE LYS 16 -3.543 -2.114 -9.522 94 HE3 LYS 16 2HE LYS 16 -4.434 -2.582 -8.075 95 HZ1 LYS 16 3HZ LYS 16 -3.732 0.236 -8.346 96 HZ2 LYS 16 1HZ LYS 16 -5.128 -0.475 -7.707 97 HZ3 LYS 16 2HZ LYS 16 -4.932 -0.354 -9.383 98 H VAL 17 H VAL 17 -0.260 -1.476 -2.743 99 HA VAL 17 HA VAL 17 2.321 -2.634 -2.902 100 HB VAL 17 HB VAL 17 1.220 -0.647 -0.910 101 HG11 VAL 17 1HG1 VAL 17 3.489 -0.133 -0.330 102 HG12 VAL 17 2HG1 VAL 17 3.244 -1.869 -0.127 103 HG13 VAL 17 3HG1 VAL 17 4.103 -1.258 -1.541 104 HG21 VAL 17 3HG2 VAL 17 3.117 0.279 -2.924 105 HG22 VAL 17 1HG2 VAL 17 1.609 -0.329 -3.608 106 HG23 VAL 17 2HG2 VAL 17 1.576 0.970 -2.416 107 H CYS 18 H CYS 18 0.036 -2.437 -0.167 108 HA CYS 18 HA CYS 18 1.533 -4.479 1.260 109 HB2 CYS 18 1HB CYS 18 0.111 -3.988 3.134 110 HB3 CYS 18 2HB CYS 18 0.604 -2.459 2.415 111 H SER 19 H SER 19 -1.401 -4.145 -0.578 112 HA SER 19 HA SER 19 -2.815 -5.715 -1.441 113 HB2 SER 19 1HB SER 19 -0.673 -7.101 -1.577 114 HB3 SER 19 2HB SER 19 -1.188 -7.854 -0.067 115 HG SER 19 HG SER 19 -2.715 -8.905 -1.097 116 H LYS 20 H LYS 20 -3.528 -4.412 0.854 117 HA LYS 20 HA LYS 20 -4.730 -6.477 2.566 118 HB2 LYS 20 1HB LYS 20 -3.294 -4.467 3.448 119 HB3 LYS 20 2HB LYS 20 -4.781 -3.555 3.223 120 HG2 LYS 20 1HG LYS 20 -4.856 -6.110 4.756 121 HG3 LYS 20 2HG LYS 20 -4.228 -4.650 5.524 122 HD2 LYS 20 1HD LYS 20 -6.437 -3.591 4.562 123 HD3 LYS 20 2HD LYS 20 -6.987 -5.268 4.577 124 HE2 LYS 20 1HE LYS 20 -5.733 -3.979 6.983 125 HE3 LYS 20 2HE LYS 20 -7.460 -3.851 6.650 126 HZ1 LYS 20 3HZ LYS 20 -6.668 -5.731 8.156 127 HZ2 LYS 20 1HZ LYS 20 -6.114 -6.478 6.743 128 HZ3 LYS 20 2HZ LYS 20 -7.758 -6.125 6.924 129 H ALA 21 H ALA 21 -6.931 -6.522 2.957 130 HA ALA 21 HA ALA 21 -8.558 -5.077 0.989 131 HB1 ALA 21 3HB ALA 21 -10.254 -6.764 1.369 132 HB2 ALA 21 1HB ALA 21 -8.709 -7.532 1.001 133 HB3 ALA 21 2HB ALA 21 -9.291 -7.475 2.665 134 H PHE 22 H PHE 22 -10.070 -3.626 1.566 135 HA PHE 22 HA PHE 22 -10.591 -3.266 4.444 136 HB2 PHE 22 1HB PHE 22 -10.561 -1.053 2.389 137 HB3 PHE 22 2HB PHE 22 -10.651 -0.889 4.139 138 HD1 PHE 22 HD1 PHE 22 -8.437 -2.097 1.413 139 HD2 PHE 22 HD2 PHE 22 -8.717 -0.607 5.390 140 HE1 PHE 22 HE1 PHE 22 -5.985 -1.921 1.516 141 HE2 PHE 22 HE2 PHE 22 -6.266 -0.427 5.499 142 HZ PHE 22 HZ PHE 22 -4.896 -1.084 3.560 143 H THR 23 H THR 23 -12.674 -2.841 5.084 144 HA THR 23 HA THR 23 -14.753 -3.733 3.344 145 HB THR 23 HB THR 23 -14.893 -4.200 5.724 146 HG1 THR 23 HG1 THR 23 -17.045 -3.647 5.955 147 HG21 THR 23 3HG2 THR 23 -13.871 -2.448 6.851 148 HG22 THR 23 1HG2 THR 23 -15.577 -2.167 7.196 149 HG23 THR 23 2HG2 THR 23 -14.760 -1.217 5.954 150 H GLN 24 H GLN 24 -13.565 -0.612 4.380 151 HA GLN 24 HA GLN 24 -15.649 0.677 2.744 152 HB2 GLN 24 1HB GLN 24 -14.176 1.777 5.144 153 HB3 GLN 24 2HB GLN 24 -15.299 2.694 4.148 154 HG2 GLN 24 1HG GLN 24 -16.197 0.150 5.415 155 HG3 GLN 24 2HG GLN 24 -16.088 1.620 6.381 156 HE21 GLN 24 1HE2 GLN 24 -18.489 0.403 6.064 157 HE22 GLN 24 2HE2 GLN 24 -19.513 1.355 5.049 158 H LYS 25 H LYS 25 -15.038 2.434 1.428 159 HA LYS 25 HA LYS 25 -12.485 2.159 0.212 160 HB2 LYS 25 1HB LYS 25 -13.178 4.069 -1.180 161 HB3 LYS 25 2HB LYS 25 -14.430 2.837 -1.085 162 HG2 LYS 25 1HG LYS 25 -15.832 4.157 0.156 163 HG3 LYS 25 2HG LYS 25 -14.511 5.116 0.829 164 HD2 LYS 25 1HD LYS 25 -14.273 6.369 -1.147 165 HD3 LYS 25 2HD LYS 25 -15.220 5.216 -2.090 166 HE2 LYS 25 1HE LYS 25 -17.153 5.838 -0.510 167 HE3 LYS 25 2HE LYS 25 -16.162 7.229 -0.074 168 HZ1 LYS 25 3HZ LYS 25 -17.067 8.219 -1.829 169 HZ2 LYS 25 1HZ LYS 25 -17.719 6.777 -2.428 170 HZ3 LYS 25 2HZ LYS 25 -16.126 7.205 -2.802 171 H ALA 26 H ALA 26 -13.846 4.384 2.559 172 HA ALA 26 HA ALA 26 -11.923 6.399 2.494 173 HB1 ALA 26 3HB ALA 26 -12.591 6.363 5.114 174 HB2 ALA 26 1HB ALA 26 -13.581 7.088 3.847 175 HB3 ALA 26 2HB ALA 26 -13.935 5.457 4.419 176 H HIS 27 H HIS 27 -11.979 3.380 4.359 177 HA HIS 27 HA HIS 27 -9.682 3.769 5.874 178 HB2 HIS 27 1HB HIS 27 -11.464 1.821 5.829 179 HB3 HIS 27 2HB HIS 27 -10.277 1.050 4.782 180 HD1 HIS 27 HD1 HIS 27 -10.941 -0.147 7.529 181 HD2 HIS 27 HD2 HIS 27 -7.817 2.504 6.840 182 HE1 HIS 27 HE1 HIS 27 -9.300 -0.542 9.393 183 H LEU 28 H LEU 28 -10.004 2.243 2.677 184 HA LEU 28 HA LEU 28 -7.250 1.715 2.339 185 HB2 LEU 28 1HB LEU 28 -8.807 0.512 1.015 186 HB3 LEU 28 2HB LEU 28 -9.525 1.997 0.393 187 HG LEU 28 HG LEU 28 -7.105 2.343 -0.603 188 HD11 LEU 28 1HD1 LEU 28 -6.307 0.246 0.563 189 HD12 LEU 28 2HD1 LEU 28 -5.959 0.359 -1.162 190 HD13 LEU 28 3HD1 LEU 28 -7.284 -0.658 -0.594 191 HD21 LEU 28 3HD2 LEU 28 -7.877 1.332 -2.669 192 HD22 LEU 28 1HD2 LEU 28 -9.205 2.173 -1.868 193 HD23 LEU 28 2HD2 LEU 28 -9.100 0.414 -1.788 194 H ALA 29 H ALA 29 -9.304 4.290 0.973 195 HA ALA 29 HA ALA 29 -7.367 5.704 -0.396 196 HB1 ALA 29 3HB ALA 29 -9.119 6.985 -0.852 197 HB2 ALA 29 1HB ALA 29 -10.052 6.118 0.368 198 HB3 ALA 29 2HB ALA 29 -9.155 7.571 0.811 199 H GLN 30 H GLN 30 -8.264 5.933 3.022 200 HA GLN 30 HA GLN 30 -6.417 8.052 3.572 201 HB2 GLN 30 1HB GLN 30 -8.254 6.342 5.176 202 HB3 GLN 30 2HB GLN 30 -6.937 7.147 6.018 203 HG2 GLN 30 1HG GLN 30 -7.798 9.268 4.796 204 HG3 GLN 30 2HG GLN 30 -9.279 8.331 4.601 205 HE21 GLN 30 1HE2 GLN 30 -8.799 10.758 6.138 206 HE22 GLN 30 2HE2 GLN 30 -9.229 10.387 7.770 207 H HIS 31 H HIS 31 -6.423 4.546 3.954 208 HA HIS 31 HA HIS 31 -4.072 4.294 5.456 209 HB2 HIS 31 1HB HIS 31 -5.254 2.317 5.369 210 HB3 HIS 31 2HB HIS 31 -5.627 2.491 3.656 211 HD1 HIS 31 HD1 HIS 31 -2.748 1.542 5.922 212 HD2 HIS 31 HD2 HIS 31 -3.965 1.121 1.972 213 HE1 HIS 31 HE1 HIS 31 -1.097 -0.039 4.874 214 H GLN 32 H GLN 32 -4.531 4.046 1.929 215 HA GLN 32 HA GLN 32 -2.097 3.521 0.977 216 HB2 GLN 32 1HB GLN 32 -4.008 5.658 0.055 217 HB3 GLN 32 2HB GLN 32 -2.542 5.272 -0.836 218 HG2 GLN 32 1HG GLN 32 -3.292 3.013 -1.186 219 HG3 GLN 32 2HG GLN 32 -4.709 3.292 -0.175 220 HE21 GLN 32 1HE2 GLN 32 -3.688 3.056 -3.265 221 HE22 GLN 32 2HE2 GLN 32 -4.909 3.988 -4.057 222 H LYS 33 H LYS 33 -3.059 6.717 2.186 223 HA LYS 33 HA LYS 33 -0.940 8.286 1.672 224 HB2 LYS 33 1HB LYS 33 -2.422 7.998 4.284 225 HB3 LYS 33 2HB LYS 33 -1.259 9.283 3.985 226 HG2 LYS 33 1HG LYS 33 -2.603 10.145 2.183 227 HG3 LYS 33 2HG LYS 33 -3.727 8.792 2.330 228 HD2 LYS 33 1HD LYS 33 -3.999 9.605 4.776 229 HD3 LYS 33 2HD LYS 33 -3.306 11.114 4.177 230 HE2 LYS 33 1HE LYS 33 -5.654 9.791 2.848 231 HE3 LYS 33 2HE LYS 33 -5.851 10.913 4.193 232 HZ1 LYS 33 3HZ LYS 33 -5.939 12.411 2.536 233 HZ2 LYS 33 1HZ LYS 33 -5.097 11.436 1.439 234 HZ3 LYS 33 2HZ LYS 33 -4.251 12.322 2.605 235 H THR 34 H THR 34 -1.045 5.912 4.316 236 HA THR 34 HA THR 34 1.375 6.330 5.512 237 HB THR 34 HB THR 34 1.425 3.926 6.071 238 HG1 THR 34 HG1 THR 34 0.171 2.503 5.030 239 HG21 THR 34 3HG2 THR 34 -0.318 5.742 6.967 240 HG22 THR 34 1HG2 THR 34 -0.323 4.070 7.524 241 HG23 THR 34 2HG2 THR 34 -1.458 4.587 6.278 242 H HIS 35 H HIS 35 0.782 4.306 2.645 243 HA HIS 35 HA HIS 35 3.429 3.485 2.245 244 HB2 HIS 35 1HB HIS 35 1.156 3.850 0.289 245 HB3 HIS 35 2HB HIS 35 2.695 3.111 -0.140 246 HD1 HIS 35 HD1 HIS 35 3.277 1.079 1.830 247 HD2 HIS 35 HD2 HIS 35 -0.655 1.924 0.785 248 HE1 HIS 35 HE1 HIS 35 1.957 -0.965 2.468 249 H THR 36 H THR 36 5.152 4.348 1.199 250 HA THR 36 HA THR 36 4.965 7.187 0.510 251 HB THR 36 HB THR 36 7.422 5.462 0.884 252 HG1 THR 36 HG1 THR 36 6.772 7.519 2.652 253 HG21 THR 36 3HG2 THR 36 7.007 8.209 -0.056 254 HG22 THR 36 1HG2 THR 36 8.401 7.146 -0.244 255 HG23 THR 36 2HG2 THR 36 8.184 8.060 1.248 256 H GLY 37 H GLY 37 4.506 7.589 -1.558 257 HA2 GLY 37 1HA GLY 37 6.165 7.142 -3.680 258 HA3 GLY 37 2HA GLY 37 5.126 5.725 -3.657 259 H GLU 38 H GLU 38 2.729 6.228 -3.551 260 HA GLU 38 HA GLU 38 2.178 8.358 -5.489 261 HB2 GLU 38 1HB GLU 38 0.886 5.756 -4.819 262 HB3 GLU 38 2HB GLU 38 -0.128 7.042 -5.458 263 HG2 GLU 38 1HG GLU 38 0.950 7.060 -7.502 264 HG3 GLU 38 2HG GLU 38 2.399 6.291 -6.858 265 H LYS 39 H LYS 39 2.617 9.122 -2.818 266 HA LYS 39 HA LYS 39 -0.075 9.769 -1.833 267 HB2 LYS 39 1HB LYS 39 1.005 10.316 0.292 268 HB3 LYS 39 2HB LYS 39 1.407 8.680 -0.214 269 HG2 LYS 39 1HG LYS 39 3.595 9.309 -0.843 270 HG3 LYS 39 2HG LYS 39 3.208 11.028 -0.731 271 HD2 LYS 39 1HD LYS 39 3.004 10.888 1.656 272 HD3 LYS 39 2HD LYS 39 3.159 9.130 1.612 273 HE2 LYS 39 1HE LYS 39 5.290 9.764 2.211 274 HE3 LYS 39 2HE LYS 39 5.441 9.643 0.459 275 HZ1 LYS 39 3HZ LYS 39 5.525 11.909 0.219 276 HZ2 LYS 39 1HZ LYS 39 6.329 11.723 1.696 277 HZ3 LYS 39 2HZ LYS 39 4.713 12.221 1.670 278 HA PRO 40 HA PRO 40 0.288 13.988 -3.001 279 HB2 PRO 40 1HB PRO 40 -1.161 15.180 -1.039 280 HB3 PRO 40 2HB PRO 40 -1.898 14.228 -2.333 281 HG2 PRO 40 1HG PRO 40 -1.262 13.427 0.481 282 HG3 PRO 40 2HG PRO 40 -2.716 13.091 -0.477 283 HD2 PRO 40 1HD PRO 40 -0.751 11.263 -0.121 284 HD3 PRO 40 2HD PRO 40 -1.721 11.344 -1.605 285 H SER 41 H SER 41 0.597 16.246 -1.787 286 HA SER 41 HA SER 41 3.230 16.234 -0.785 287 HB2 SER 41 1HB SER 41 1.087 18.315 -1.033 288 HB3 SER 41 2HB SER 41 2.548 18.679 -0.116 289 HG SER 41 HG SER 41 3.753 18.459 -1.921 290 H GLY 42 H GLY 42 0.131 16.885 0.853 291 HA2 GLY 42 1HA GLY 42 -0.490 16.423 3.033 292 HA3 GLY 42 2HA GLY 42 1.067 15.644 3.271 293 HA PRO 43 HA PRO 43 0.787 20.130 5.019 294 HB2 PRO 43 1HB PRO 43 -0.267 19.690 7.482 295 HB3 PRO 43 2HB PRO 43 -1.255 20.094 6.073 296 HG2 PRO 43 1HG PRO 43 -0.718 17.419 7.306 297 HG3 PRO 43 2HG PRO 43 -2.245 18.086 6.700 298 HD2 PRO 43 1HD PRO 43 -0.749 16.339 5.271 299 HD3 PRO 43 2HD PRO 43 -1.730 17.605 4.505 300 H SER 44 H SER 44 2.765 20.621 5.704 301 HA SER 44 HA SER 44 4.162 18.735 7.476 302 HB2 SER 44 1HB SER 44 6.241 19.824 6.690 303 HB3 SER 44 2HB SER 44 5.303 19.154 5.356 304 HG SER 44 HG SER 44 5.465 21.091 4.562 305 H SER 45 H SER 45 3.654 19.346 9.513 306 HA SER 45 HA SER 45 3.643 22.153 10.253 307 HB2 SER 45 1HB SER 45 3.004 21.260 12.513 308 HB3 SER 45 2HB SER 45 1.901 20.797 11.217 309 HG SER 45 HG SER 45 3.813 19.232 12.570 310 H GLY 46 H GLY 46 5.377 19.206 11.266 311 HA2 GLY 46 1HA GLY 46 7.876 19.546 11.331 312 HA3 GLY 46 2HA GLY 46 7.513 20.956 12.315 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -4.743 -33.938 -3.307 2 HA2 GLY 1 1HA GLY 1 -3.707 -31.248 -3.869 3 HA3 GLY 1 2HA GLY 1 -4.459 -32.324 -5.038 4 H SER 2 H SER 2 -6.625 -32.221 -5.378 5 HA SER 2 HA SER 2 -8.594 -31.037 -5.545 6 HB2 SER 2 1HB SER 2 -8.995 -32.755 -3.787 7 HB3 SER 2 2HB SER 2 -8.560 -31.562 -2.563 8 HG SER 2 HG SER 2 -10.854 -31.765 -4.123 9 H SER 3 H SER 3 -6.478 -29.247 -5.447 10 HA SER 3 HA SER 3 -7.117 -27.197 -3.494 11 HB2 SER 3 1HB SER 3 -5.099 -27.205 -5.752 12 HB3 SER 3 2HB SER 3 -5.238 -25.961 -4.510 13 HG SER 3 HG SER 3 -3.873 -27.196 -3.487 14 H GLY 4 H GLY 4 -8.371 -25.470 -3.836 15 HA2 GLY 4 1HA GLY 4 -9.006 -24.701 -6.601 16 HA3 GLY 4 2HA GLY 4 -10.324 -25.057 -5.494 17 H SER 5 H SER 5 -10.531 -22.679 -6.500 18 HA SER 5 HA SER 5 -9.225 -20.785 -4.675 19 HB2 SER 5 1HB SER 5 -10.503 -20.482 -7.382 20 HB3 SER 5 2HB SER 5 -10.250 -19.082 -6.339 21 HG SER 5 HG SER 5 -7.984 -19.938 -6.232 22 H SER 6 H SER 6 -10.687 -21.548 -2.961 23 HA SER 6 HA SER 6 -13.255 -20.118 -3.086 24 HB2 SER 6 1HB SER 6 -13.500 -22.636 -3.300 25 HB3 SER 6 2HB SER 6 -12.885 -22.752 -1.652 26 HG SER 6 HG SER 6 -14.983 -20.981 -2.099 27 H GLY 7 H GLY 7 -10.911 -19.028 -2.062 28 HA2 GLY 7 1HA GLY 7 -10.968 -19.369 0.829 29 HA3 GLY 7 2HA GLY 7 -9.857 -18.356 -0.081 30 H THR 8 H THR 8 -11.519 -17.802 2.320 31 HA THR 8 HA THR 8 -13.515 -15.914 1.429 32 HB THR 8 HB THR 8 -12.461 -16.409 4.221 33 HG1 THR 8 HG1 THR 8 -14.201 -17.789 4.429 34 HG21 THR 8 3HG2 THR 8 -14.308 -14.470 3.123 35 HG22 THR 8 1HG2 THR 8 -13.641 -14.588 4.751 36 HG23 THR 8 2HG2 THR 8 -15.091 -15.497 4.324 37 H GLY 9 H GLY 9 -13.399 -13.699 1.489 38 HA2 GLY 9 1HA GLY 9 -12.213 -11.733 2.466 39 HA3 GLY 9 2HA GLY 9 -10.725 -12.574 2.057 40 H GLU 10 H GLU 10 -13.743 -11.900 0.280 41 HA GLU 10 HA GLU 10 -12.082 -10.798 -1.890 42 HB2 GLU 10 1HB GLU 10 -14.629 -12.384 -1.919 43 HB3 GLU 10 2HB GLU 10 -14.226 -11.332 -3.269 44 HG2 GLU 10 1HG GLU 10 -12.496 -12.637 -3.960 45 HG3 GLU 10 2HG GLU 10 -12.158 -13.242 -2.339 46 H LYS 11 H LYS 11 -12.132 -8.727 -0.822 47 HA LYS 11 HA LYS 11 -14.731 -7.382 -0.771 48 HB2 LYS 11 1HB LYS 11 -12.021 -6.538 0.267 49 HB3 LYS 11 2HB LYS 11 -13.471 -5.548 0.366 50 HG2 LYS 11 1HG LYS 11 -14.473 -6.947 1.924 51 HG3 LYS 11 2HG LYS 11 -13.421 -8.307 1.523 52 HD2 LYS 11 1HD LYS 11 -11.621 -7.421 2.701 53 HD3 LYS 11 2HD LYS 11 -12.281 -5.784 2.669 54 HE2 LYS 11 1HE LYS 11 -13.470 -8.090 4.208 55 HE3 LYS 11 2HE LYS 11 -12.408 -6.865 4.900 56 HZ1 LYS 11 3HZ LYS 11 -14.411 -5.490 3.590 57 HZ2 LYS 11 1HZ LYS 11 -14.209 -5.653 5.262 58 HZ3 LYS 11 2HZ LYS 11 -15.195 -6.739 4.420 59 HA PRO 12 HA PRO 12 -14.062 -5.125 -4.477 60 HB2 PRO 12 1HB PRO 12 -15.316 -2.789 -3.897 61 HB3 PRO 12 2HB PRO 12 -16.187 -4.294 -4.211 62 HG2 PRO 12 1HG PRO 12 -15.500 -3.015 -1.593 63 HG3 PRO 12 2HG PRO 12 -17.018 -3.778 -2.102 64 HD2 PRO 12 1HD PRO 12 -15.202 -5.043 -0.541 65 HD3 PRO 12 2HD PRO 12 -16.226 -5.907 -1.707 66 H TYR 13 H TYR 13 -12.496 -4.388 -1.654 67 HA TYR 13 HA TYR 13 -10.914 -2.287 -2.976 68 HB2 TYR 13 1HB TYR 13 -11.399 -2.394 0.000 69 HB3 TYR 13 2HB TYR 13 -10.664 -1.091 -0.928 70 HD1 TYR 13 HD1 TYR 13 -12.131 0.196 -2.556 71 HD2 TYR 13 HD2 TYR 13 -13.714 -2.435 0.390 72 HE1 TYR 13 HE1 TYR 13 -14.326 1.286 -2.770 73 HE2 TYR 13 HE2 TYR 13 -15.913 -1.352 0.183 74 HH TYR 13 HH TYR 13 -16.376 1.591 -1.337 75 H GLU 14 H GLU 14 -8.897 -2.921 -3.304 76 HA GLU 14 HA GLU 14 -7.540 -4.526 -1.273 77 HB2 GLU 14 1HB GLU 14 -8.508 -6.044 -3.048 78 HB3 GLU 14 2HB GLU 14 -7.430 -5.264 -4.197 79 HG2 GLU 14 1HG GLU 14 -5.619 -5.931 -2.385 80 HG3 GLU 14 2HG GLU 14 -6.821 -7.164 -2.008 81 H CYS 15 H CYS 15 -5.660 -3.617 -0.803 82 HA CYS 15 HA CYS 15 -4.607 -1.438 -2.273 83 HB2 CYS 15 1HB CYS 15 -4.339 -2.096 0.253 84 HB3 CYS 15 2HB CYS 15 -2.942 -2.996 -0.329 85 H LYS 16 H LYS 16 -2.323 -1.353 -3.058 86 HA LYS 16 HA LYS 16 -1.751 -3.760 -4.647 87 HB2 LYS 16 1HB LYS 16 -1.060 -0.856 -5.101 88 HB3 LYS 16 2HB LYS 16 -0.413 -2.168 -6.077 89 HG2 LYS 16 1HG LYS 16 -2.182 -1.516 -7.363 90 HG3 LYS 16 2HG LYS 16 -2.944 -2.773 -6.386 91 HD2 LYS 16 1HD LYS 16 -3.596 -0.894 -4.786 92 HD3 LYS 16 2HD LYS 16 -3.140 0.213 -6.083 93 HE2 LYS 16 1HE LYS 16 -4.732 -1.012 -7.573 94 HE3 LYS 16 2HE LYS 16 -5.268 -1.921 -6.161 95 HZ1 LYS 16 3HZ LYS 16 -5.515 0.996 -6.625 96 HZ2 LYS 16 1HZ LYS 16 -5.805 0.270 -5.125 97 HZ3 LYS 16 2HZ LYS 16 -6.764 -0.132 -6.458 98 H VAL 17 H VAL 17 -0.404 -1.482 -2.370 99 HA VAL 17 HA VAL 17 2.294 -2.449 -2.609 100 HB VAL 17 HB VAL 17 1.015 -0.715 -0.491 101 HG11 VAL 17 1HG1 VAL 17 2.926 -1.730 0.487 102 HG12 VAL 17 2HG1 VAL 17 3.887 -1.480 -0.971 103 HG13 VAL 17 3HG1 VAL 17 3.402 -0.100 0.014 104 HG21 VAL 17 3HG2 VAL 17 2.982 0.366 -2.412 105 HG22 VAL 17 1HG2 VAL 17 1.394 -0.043 -3.061 106 HG23 VAL 17 2HG2 VAL 17 1.534 1.107 -1.732 107 H CYS 18 H CYS 18 0.143 -2.396 0.235 108 HA CYS 18 HA CYS 18 1.519 -4.682 1.352 109 HB2 CYS 18 1HB CYS 18 0.203 -4.303 3.326 110 HB3 CYS 18 2HB CYS 18 0.757 -2.738 2.738 111 H SER 19 H SER 19 -1.224 -4.117 -0.590 112 HA SER 19 HA SER 19 -2.818 -5.483 -1.467 113 HB2 SER 19 1HB SER 19 -0.919 -7.584 -0.413 114 HB3 SER 19 2HB SER 19 -2.368 -7.978 -1.338 115 HG SER 19 HG SER 19 -1.534 -6.865 -3.081 116 H LYS 20 H LYS 20 -3.517 -4.347 0.876 117 HA LYS 20 HA LYS 20 -4.736 -6.484 2.484 118 HB2 LYS 20 1HB LYS 20 -3.300 -4.657 3.555 119 HB3 LYS 20 2HB LYS 20 -4.628 -3.559 3.205 120 HG2 LYS 20 1HG LYS 20 -6.095 -4.721 4.648 121 HG3 LYS 20 2HG LYS 20 -4.980 -6.081 4.799 122 HD2 LYS 20 1HD LYS 20 -4.522 -5.006 6.759 123 HD3 LYS 20 2HD LYS 20 -3.370 -4.182 5.707 124 HE2 LYS 20 1HE LYS 20 -4.354 -2.378 6.708 125 HE3 LYS 20 2HE LYS 20 -5.410 -2.563 5.309 126 HZ1 LYS 20 3HZ LYS 20 -7.124 -2.913 6.644 127 HZ2 LYS 20 1HZ LYS 20 -6.137 -2.586 7.979 128 HZ3 LYS 20 2HZ LYS 20 -6.329 -4.177 7.438 129 H ALA 21 H ALA 21 -6.935 -6.557 2.850 130 HA ALA 21 HA ALA 21 -8.556 -5.045 0.937 131 HB1 ALA 21 3HB ALA 21 -8.782 -7.470 0.892 132 HB2 ALA 21 1HB ALA 21 -9.256 -7.469 2.590 133 HB3 ALA 21 2HB ALA 21 -10.294 -6.709 1.384 134 H PHE 22 H PHE 22 -10.389 -3.884 1.545 135 HA PHE 22 HA PHE 22 -10.724 -3.395 4.425 136 HB2 PHE 22 1HB PHE 22 -10.795 -1.241 2.303 137 HB3 PHE 22 2HB PHE 22 -10.949 -1.015 4.042 138 HD1 PHE 22 HD1 PHE 22 -8.606 -2.095 1.386 139 HD2 PHE 22 HD2 PHE 22 -9.060 -0.718 5.389 140 HE1 PHE 22 HE1 PHE 22 -6.170 -1.798 1.557 141 HE2 PHE 22 HE2 PHE 22 -6.624 -0.418 5.565 142 HZ PHE 22 HZ PHE 22 -5.176 -0.957 3.648 143 H THR 23 H THR 23 -12.821 -2.254 4.899 144 HA THR 23 HA THR 23 -14.933 -3.499 3.299 145 HB THR 23 HB THR 23 -14.989 -3.972 5.694 146 HG1 THR 23 HG1 THR 23 -17.028 -2.521 4.444 147 HG21 THR 23 3HG2 THR 23 -14.896 -0.994 5.891 148 HG22 THR 23 1HG2 THR 23 -14.036 -2.209 6.835 149 HG23 THR 23 2HG2 THR 23 -15.748 -1.911 7.132 150 H GLN 24 H GLN 24 -13.610 -0.414 4.117 151 HA GLN 24 HA GLN 24 -15.729 0.877 2.538 152 HB2 GLN 24 1HB GLN 24 -14.444 1.935 5.060 153 HB3 GLN 24 2HB GLN 24 -15.491 2.878 4.008 154 HG2 GLN 24 1HG GLN 24 -17.250 1.096 4.408 155 HG3 GLN 24 2HG GLN 24 -16.204 0.506 5.699 156 HE21 GLN 24 1HE2 GLN 24 -18.844 2.261 5.178 157 HE22 GLN 24 2HE2 GLN 24 -18.752 3.383 6.488 158 H LYS 25 H LYS 25 -15.012 3.095 1.762 159 HA LYS 25 HA LYS 25 -12.509 2.788 0.391 160 HB2 LYS 25 1HB LYS 25 -14.381 5.162 0.453 161 HB3 LYS 25 2HB LYS 25 -13.080 4.896 -0.700 162 HG2 LYS 25 1HG LYS 25 -14.220 2.979 -1.613 163 HG3 LYS 25 2HG LYS 25 -15.485 3.112 -0.389 164 HD2 LYS 25 1HD LYS 25 -16.392 5.016 -1.349 165 HD3 LYS 25 2HD LYS 25 -14.896 5.426 -2.192 166 HE2 LYS 25 1HE LYS 25 -15.288 3.931 -3.894 167 HE3 LYS 25 2HE LYS 25 -16.300 2.892 -2.893 168 HZ1 LYS 25 3HZ LYS 25 -17.234 5.601 -3.531 169 HZ2 LYS 25 1HZ LYS 25 -18.131 4.200 -3.222 170 HZ3 LYS 25 2HZ LYS 25 -17.356 4.396 -4.712 171 H ALA 26 H ALA 26 -13.785 5.245 2.641 172 HA ALA 26 HA ALA 26 -11.655 6.874 2.978 173 HB1 ALA 26 3HB ALA 26 -13.163 7.654 4.420 174 HB2 ALA 26 1HB ALA 26 -13.895 6.063 4.634 175 HB3 ALA 26 2HB ALA 26 -12.485 6.521 5.590 176 H HIS 27 H HIS 27 -12.059 3.688 4.474 177 HA HIS 27 HA HIS 27 -9.775 3.730 6.094 178 HB2 HIS 27 1HB HIS 27 -11.237 1.428 4.792 179 HB3 HIS 27 2HB HIS 27 -9.932 1.214 5.955 180 HD1 HIS 27 HD1 HIS 27 -11.374 0.156 7.763 181 HD2 HIS 27 HD2 HIS 27 -12.745 3.882 6.537 182 HE1 HIS 27 HE1 HIS 27 -13.145 0.802 9.428 183 H LEU 28 H LEU 28 -10.195 2.267 2.867 184 HA LEU 28 HA LEU 28 -7.492 1.565 2.526 185 HB2 LEU 28 1HB LEU 28 -9.002 0.470 1.132 186 HB3 LEU 28 2HB LEU 28 -9.793 1.970 0.654 187 HG LEU 28 HG LEU 28 -7.597 2.523 -0.549 188 HD11 LEU 28 1HD1 LEU 28 -7.089 -0.340 -0.884 189 HD12 LEU 28 2HD1 LEU 28 -6.681 0.292 0.710 190 HD13 LEU 28 3HD1 LEU 28 -5.961 1.007 -0.732 191 HD21 LEU 28 3HD2 LEU 28 -9.898 1.517 -1.422 192 HD22 LEU 28 1HD2 LEU 28 -8.848 0.159 -1.827 193 HD23 LEU 28 2HD2 LEU 28 -8.511 1.760 -2.485 194 H ALA 29 H ALA 29 -9.315 4.269 1.073 195 HA ALA 29 HA ALA 29 -7.240 5.553 -0.203 196 HB1 ALA 29 3HB ALA 29 -9.900 6.269 0.711 197 HB2 ALA 29 1HB ALA 29 -8.788 7.639 0.735 198 HB3 ALA 29 2HB ALA 29 -9.044 6.736 -0.759 199 H GLN 30 H GLN 30 -8.399 6.184 3.111 200 HA GLN 30 HA GLN 30 -6.454 8.090 3.768 201 HB2 GLN 30 1HB GLN 30 -8.606 7.522 5.019 202 HB3 GLN 30 2HB GLN 30 -7.710 6.193 5.744 203 HG2 GLN 30 1HG GLN 30 -7.585 7.914 7.308 204 HG3 GLN 30 2HG GLN 30 -6.025 7.946 6.488 205 HE21 GLN 30 1HE2 GLN 30 -5.407 9.744 5.437 206 HE22 GLN 30 2HE2 GLN 30 -6.361 11.179 5.305 207 H HIS 31 H HIS 31 -6.312 4.640 3.603 208 HA HIS 31 HA HIS 31 -3.975 4.354 5.247 209 HB2 HIS 31 1HB HIS 31 -5.189 2.387 5.208 210 HB3 HIS 31 2HB HIS 31 -5.594 2.546 3.502 211 HD1 HIS 31 HD1 HIS 31 -2.509 1.839 5.616 212 HD2 HIS 31 HD2 HIS 31 -4.137 0.921 1.905 213 HE1 HIS 31 HE1 HIS 31 -0.927 0.182 4.579 214 H GLN 32 H GLN 32 -4.624 4.366 1.758 215 HA GLN 32 HA GLN 32 -2.247 3.734 0.659 216 HB2 GLN 32 1HB GLN 32 -3.998 6.071 -0.118 217 HB3 GLN 32 2HB GLN 32 -2.721 5.405 -1.128 218 HG2 GLN 32 1HG GLN 32 -3.918 3.225 -1.089 219 HG3 GLN 32 2HG GLN 32 -5.239 4.023 -0.236 220 HE21 GLN 32 1HE2 GLN 32 -6.410 3.192 -2.154 221 HE22 GLN 32 2HE2 GLN 32 -6.473 4.196 -3.558 222 H LYS 33 H LYS 33 -3.000 6.740 2.323 223 HA LYS 33 HA LYS 33 -0.858 8.324 1.675 224 HB2 LYS 33 1HB LYS 33 -2.365 7.975 4.253 225 HB3 LYS 33 2HB LYS 33 -1.044 9.129 4.128 226 HG2 LYS 33 1HG LYS 33 -2.937 10.404 3.712 227 HG3 LYS 33 2HG LYS 33 -2.306 10.059 2.100 228 HD2 LYS 33 1HD LYS 33 -3.928 8.310 1.782 229 HD3 LYS 33 2HD LYS 33 -4.484 8.467 3.451 230 HE2 LYS 33 1HE LYS 33 -5.644 10.388 3.028 231 HE3 LYS 33 2HE LYS 33 -4.563 10.885 1.727 232 HZ1 LYS 33 3HZ LYS 33 -5.974 8.481 1.100 233 HZ2 LYS 33 1HZ LYS 33 -5.858 9.922 0.221 234 HZ3 LYS 33 2HZ LYS 33 -7.031 9.761 1.429 235 H THR 34 H THR 34 -0.968 5.852 4.231 236 HA THR 34 HA THR 34 1.602 6.160 5.230 237 HB THR 34 HB THR 34 -0.206 4.675 6.175 238 HG1 THR 34 HG1 THR 34 2.499 3.949 5.908 239 HG21 THR 34 3HG2 THR 34 0.284 3.289 3.691 240 HG22 THR 34 1HG2 THR 34 -1.009 3.055 4.867 241 HG23 THR 34 2HG2 THR 34 0.530 2.216 5.069 242 H HIS 35 H HIS 35 0.570 4.866 2.212 243 HA HIS 35 HA HIS 35 3.109 3.518 1.728 244 HB2 HIS 35 1HB HIS 35 0.514 3.690 0.218 245 HB3 HIS 35 2HB HIS 35 1.972 3.074 -0.553 246 HD1 HIS 35 HD1 HIS 35 3.126 1.334 1.656 247 HD2 HIS 35 HD2 HIS 35 -0.917 1.439 0.701 248 HE1 HIS 35 HE1 HIS 35 2.183 -0.847 2.480 249 H THR 36 H THR 36 4.741 4.364 0.595 250 HA THR 36 HA THR 36 5.009 7.042 0.049 251 HB THR 36 HB THR 36 6.374 4.794 -1.446 252 HG1 THR 36 HG1 THR 36 6.699 5.896 1.099 253 HG21 THR 36 3HG2 THR 36 7.050 6.594 -2.670 254 HG22 THR 36 1HG2 THR 36 8.208 6.732 -1.347 255 HG23 THR 36 2HG2 THR 36 6.757 7.735 -1.358 256 H GLY 37 H GLY 37 4.365 8.401 -1.509 257 HA2 GLY 37 1HA GLY 37 4.098 8.085 -4.174 258 HA3 GLY 37 2HA GLY 37 2.595 7.402 -3.571 259 H GLU 38 H GLU 38 4.542 10.258 -2.694 260 HA GLU 38 HA GLU 38 2.497 12.060 -3.606 261 HB2 GLU 38 1HB GLU 38 1.866 12.994 -1.500 262 HB3 GLU 38 2HB GLU 38 1.630 11.255 -1.393 263 HG2 GLU 38 1HG GLU 38 2.607 11.873 0.638 264 HG3 GLU 38 2HG GLU 38 3.913 11.154 -0.302 265 H LYS 39 H LYS 39 3.284 14.080 -3.966 266 HA LYS 39 HA LYS 39 5.752 14.951 -2.720 267 HB2 LYS 39 1HB LYS 39 6.403 13.553 -4.722 268 HB3 LYS 39 2HB LYS 39 5.611 14.758 -5.730 269 HG2 LYS 39 1HG LYS 39 7.235 16.321 -5.385 270 HG3 LYS 39 2HG LYS 39 7.666 15.683 -3.796 271 HD2 LYS 39 1HD LYS 39 9.488 15.022 -5.025 272 HD3 LYS 39 2HD LYS 39 8.450 13.605 -5.201 273 HE2 LYS 39 1HE LYS 39 7.765 14.273 -7.373 274 HE3 LYS 39 2HE LYS 39 8.482 15.872 -7.180 275 HZ1 LYS 39 3HZ LYS 39 10.628 15.006 -7.365 276 HZ2 LYS 39 1HZ LYS 39 9.753 14.189 -8.561 277 HZ3 LYS 39 2HZ LYS 39 10.122 13.412 -7.105 278 HA PRO 40 HA PRO 40 3.409 18.705 -3.095 279 HB2 PRO 40 1HB PRO 40 5.277 20.340 -1.997 280 HB3 PRO 40 2HB PRO 40 4.265 19.256 -1.035 281 HG2 PRO 40 1HG PRO 40 7.087 18.886 -1.965 282 HG3 PRO 40 2HG PRO 40 6.375 18.529 -0.381 283 HD2 PRO 40 1HD PRO 40 6.828 16.613 -2.240 284 HD3 PRO 40 2HD PRO 40 5.472 16.533 -1.096 285 H SER 41 H SER 41 3.666 20.846 -4.083 286 HA SER 41 HA SER 41 5.453 20.707 -6.409 287 HB2 SER 41 1HB SER 41 3.938 22.297 -7.476 288 HB3 SER 41 2HB SER 41 3.025 20.919 -6.863 289 HG SER 41 HG SER 41 3.335 23.106 -5.167 290 H GLY 42 H GLY 42 6.993 22.207 -6.778 291 HA2 GLY 42 1HA GLY 42 8.073 23.733 -4.747 292 HA3 GLY 42 2HA GLY 42 8.355 24.030 -6.456 293 HA PRO 43 HA PRO 43 6.391 27.928 -5.960 294 HB2 PRO 43 1HB PRO 43 5.722 28.413 -8.546 295 HB3 PRO 43 2HB PRO 43 7.382 28.514 -7.948 296 HG2 PRO 43 1HG PRO 43 6.035 26.288 -9.428 297 HG3 PRO 43 2HG PRO 43 7.661 26.959 -9.655 298 HD2 PRO 43 1HD PRO 43 7.210 24.661 -8.296 299 HD3 PRO 43 2HD PRO 43 8.535 25.768 -7.886 300 H SER 44 H SER 44 4.348 28.945 -6.004 301 HA SER 44 HA SER 44 2.140 27.217 -5.651 302 HB2 SER 44 1HB SER 44 0.815 29.349 -5.533 303 HB3 SER 44 2HB SER 44 2.208 29.306 -4.452 304 HG SER 44 HG SER 44 1.666 31.137 -6.223 305 H SER 45 H SER 45 0.862 26.315 -7.111 306 HA SER 45 HA SER 45 0.721 27.525 -9.795 307 HB2 SER 45 1HB SER 45 1.777 25.207 -9.541 308 HB3 SER 45 2HB SER 45 0.154 24.628 -9.168 309 HG SER 45 HG SER 45 0.945 25.972 -11.541 310 H GLY 46 H GLY 46 -1.348 26.932 -10.984 311 HA2 GLY 46 1HA GLY 46 -3.540 28.108 -9.894 312 HA3 GLY 46 2HA GLY 46 -3.652 26.847 -11.113 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.800 -27.342 0.001 2 HA2 GLY 1 1HA GLY 1 -0.012 -26.170 2.010 3 HA3 GLY 1 2HA GLY 1 0.850 -25.258 0.779 4 H SER 2 H SER 2 -1.735 -24.716 0.976 5 HA SER 2 HA SER 2 -2.771 -25.614 -1.561 6 HB2 SER 2 1HB SER 2 -4.394 -26.145 0.938 7 HB3 SER 2 2HB SER 2 -4.872 -26.496 -0.723 8 HG SER 2 HG SER 2 -3.452 -28.136 -0.804 9 H SER 3 H SER 3 -4.438 -24.292 -2.365 10 HA SER 3 HA SER 3 -4.797 -21.783 -0.863 11 HB2 SER 3 1HB SER 3 -5.120 -20.697 -3.070 12 HB3 SER 3 2HB SER 3 -3.532 -21.451 -2.922 13 HG SER 3 HG SER 3 -4.607 -23.320 -3.991 14 H GLY 4 H GLY 4 -6.810 -21.043 -0.462 15 HA2 GLY 4 1HA GLY 4 -9.134 -21.242 -1.785 16 HA3 GLY 4 2HA GLY 4 -9.022 -22.832 -1.045 17 H SER 5 H SER 5 -9.958 -19.612 -0.620 18 HA SER 5 HA SER 5 -10.763 -20.189 2.123 19 HB2 SER 5 1HB SER 5 -9.039 -17.840 1.324 20 HB3 SER 5 2HB SER 5 -9.972 -17.876 2.820 21 HG SER 5 HG SER 5 -8.792 -20.037 3.052 22 H SER 6 H SER 6 -12.879 -19.867 2.130 23 HA SER 6 HA SER 6 -13.982 -17.675 0.502 24 HB2 SER 6 1HB SER 6 -14.741 -19.967 -0.114 25 HB3 SER 6 2HB SER 6 -15.415 -20.146 1.506 26 HG SER 6 HG SER 6 -16.468 -17.973 0.774 27 H GLY 7 H GLY 7 -14.174 -15.948 1.804 28 HA2 GLY 7 1HA GLY 7 -15.136 -16.324 4.547 29 HA3 GLY 7 2HA GLY 7 -14.409 -14.861 3.900 30 H THR 8 H THR 8 -15.883 -13.307 4.133 31 HA THR 8 HA THR 8 -18.685 -13.893 3.492 32 HB THR 8 HB THR 8 -18.261 -12.854 5.682 33 HG1 THR 8 HG1 THR 8 -19.817 -11.207 5.424 34 HG21 THR 8 3HG2 THR 8 -16.287 -11.568 5.254 35 HG22 THR 8 1HG2 THR 8 -17.566 -10.444 5.713 36 HG23 THR 8 2HG2 THR 8 -17.109 -10.616 4.018 37 H GLY 9 H GLY 9 -16.747 -13.612 1.384 38 HA2 GLY 9 1HA GLY 9 -17.268 -12.720 -0.777 39 HA3 GLY 9 2HA GLY 9 -17.956 -11.308 0.012 40 H GLU 10 H GLU 10 -16.183 -11.040 -2.081 41 HA GLU 10 HA GLU 10 -13.596 -10.397 -0.879 42 HB2 GLU 10 1HB GLU 10 -14.580 -10.703 -3.693 43 HB3 GLU 10 2HB GLU 10 -13.109 -9.794 -3.377 44 HG2 GLU 10 1HG GLU 10 -13.594 -12.647 -2.554 45 HG3 GLU 10 2HG GLU 10 -12.671 -12.133 -3.964 46 H LYS 11 H LYS 11 -13.190 -8.418 -0.176 47 HA LYS 11 HA LYS 11 -14.984 -6.266 -0.452 48 HB2 LYS 11 1HB LYS 11 -12.227 -6.608 0.627 49 HB3 LYS 11 2HB LYS 11 -12.793 -4.972 0.319 50 HG2 LYS 11 1HG LYS 11 -13.277 -5.410 2.576 51 HG3 LYS 11 2HG LYS 11 -14.816 -5.544 1.721 52 HD2 LYS 11 1HD LYS 11 -14.611 -7.970 1.699 53 HD3 LYS 11 2HD LYS 11 -13.041 -7.859 2.498 54 HE2 LYS 11 1HE LYS 11 -13.959 -7.308 4.522 55 HE3 LYS 11 2HE LYS 11 -15.378 -6.556 3.796 56 HZ1 LYS 11 3HZ LYS 11 -15.364 -9.296 3.169 57 HZ2 LYS 11 1HZ LYS 11 -16.495 -8.428 4.080 58 HZ3 LYS 11 2HZ LYS 11 -15.155 -9.125 4.839 59 HA PRO 12 HA PRO 12 -13.895 -4.648 -4.407 60 HB2 PRO 12 1HB PRO 12 -14.902 -2.145 -4.101 61 HB3 PRO 12 2HB PRO 12 -15.922 -3.567 -4.348 62 HG2 PRO 12 1HG PRO 12 -15.238 -2.145 -1.804 63 HG3 PRO 12 2HG PRO 12 -16.803 -2.779 -2.345 64 HD2 PRO 12 1HD PRO 12 -15.234 -4.093 -0.573 65 HD3 PRO 12 2HD PRO 12 -16.285 -4.938 -1.728 66 H TYR 13 H TYR 13 -12.668 -3.474 -1.441 67 HA TYR 13 HA TYR 13 -10.786 -1.685 -2.820 68 HB2 TYR 13 1HB TYR 13 -11.215 -1.860 0.160 69 HB3 TYR 13 2HB TYR 13 -10.437 -0.569 -0.749 70 HD1 TYR 13 HD1 TYR 13 -11.881 0.837 -2.304 71 HD2 TYR 13 HD2 TYR 13 -13.515 -1.784 0.622 72 HE1 TYR 13 HE1 TYR 13 -14.019 2.047 -2.422 73 HE2 TYR 13 HE2 TYR 13 -15.657 -0.582 0.512 74 HH TYR 13 HH TYR 13 -16.113 2.160 -1.701 75 H GLU 14 H GLU 14 -8.842 -2.476 -3.232 76 HA GLU 14 HA GLU 14 -7.540 -4.196 -1.262 77 HB2 GLU 14 1HB GLU 14 -8.715 -5.568 -3.091 78 HB3 GLU 14 2HB GLU 14 -7.482 -4.943 -4.177 79 HG2 GLU 14 1HG GLU 14 -6.719 -7.048 -3.480 80 HG3 GLU 14 2HG GLU 14 -5.772 -5.870 -2.572 81 H CYS 15 H CYS 15 -5.504 -3.590 -0.927 82 HA CYS 15 HA CYS 15 -4.356 -1.487 -2.523 83 HB2 CYS 15 1HB CYS 15 -4.159 -1.654 -0.012 84 HB3 CYS 15 2HB CYS 15 -3.054 -3.002 -0.257 85 H LYS 16 H LYS 16 -2.052 -1.629 -3.242 86 HA LYS 16 HA LYS 16 -1.585 -4.236 -4.526 87 HB2 LYS 16 1HB LYS 16 -0.533 -3.112 -6.320 88 HB3 LYS 16 2HB LYS 16 -1.976 -2.173 -5.963 89 HG2 LYS 16 1HG LYS 16 -0.797 -0.390 -5.186 90 HG3 LYS 16 2HG LYS 16 0.551 -1.382 -4.627 91 HD2 LYS 16 1HD LYS 16 0.981 -1.819 -7.131 92 HD3 LYS 16 2HD LYS 16 -0.061 -0.419 -7.401 93 HE2 LYS 16 1HE LYS 16 2.353 -0.372 -5.600 94 HE3 LYS 16 2HE LYS 16 2.409 0.063 -7.307 95 HZ1 LYS 16 3HZ LYS 16 1.896 2.102 -6.621 96 HZ2 LYS 16 1HZ LYS 16 1.459 1.581 -5.072 97 HZ3 LYS 16 2HZ LYS 16 0.333 1.524 -6.332 98 H VAL 17 H VAL 17 -0.189 -1.761 -2.511 99 HA VAL 17 HA VAL 17 2.494 -2.746 -2.622 100 HB VAL 17 HB VAL 17 1.150 -0.914 -0.632 101 HG11 VAL 17 1HG1 VAL 17 3.607 -0.282 -0.178 102 HG12 VAL 17 2HG1 VAL 17 2.967 -1.754 0.556 103 HG13 VAL 17 3HG1 VAL 17 3.984 -1.854 -0.882 104 HG21 VAL 17 3HG2 VAL 17 3.074 -0.257 -2.858 105 HG22 VAL 17 1HG2 VAL 17 1.321 -0.109 -2.986 106 HG23 VAL 17 2HG2 VAL 17 2.207 0.878 -1.823 107 H CYS 18 H CYS 18 0.173 -2.674 0.090 108 HA CYS 18 HA CYS 18 1.588 -4.882 1.351 109 HB2 CYS 18 1HB CYS 18 0.166 -4.445 3.280 110 HB3 CYS 18 2HB CYS 18 0.884 -2.942 2.709 111 H SER 19 H SER 19 -1.202 -4.334 -0.566 112 HA SER 19 HA SER 19 -2.763 -5.743 -1.440 113 HB2 SER 19 1HB SER 19 -1.154 -7.958 -0.148 114 HB3 SER 19 2HB SER 19 -2.343 -8.139 -1.438 115 HG SER 19 HG SER 19 0.001 -8.022 -2.013 116 H LYS 20 H LYS 20 -3.417 -4.473 0.885 117 HA LYS 20 HA LYS 20 -4.795 -6.513 2.496 118 HB2 LYS 20 1HB LYS 20 -3.331 -5.064 3.793 119 HB3 LYS 20 2HB LYS 20 -4.122 -3.636 3.139 120 HG2 LYS 20 1HG LYS 20 -6.158 -4.164 4.288 121 HG3 LYS 20 2HG LYS 20 -5.504 -5.715 4.821 122 HD2 LYS 20 1HD LYS 20 -4.210 -3.099 5.542 123 HD3 LYS 20 2HD LYS 20 -5.504 -3.806 6.513 124 HE2 LYS 20 1HE LYS 20 -3.014 -5.326 5.785 125 HE3 LYS 20 2HE LYS 20 -3.113 -4.313 7.224 126 HZ1 LYS 20 3HZ LYS 20 -3.625 -6.725 7.562 127 HZ2 LYS 20 1HZ LYS 20 -5.035 -6.495 6.657 128 HZ3 LYS 20 2HZ LYS 20 -4.818 -5.659 8.111 129 H ALA 21 H ALA 21 -6.984 -6.498 2.716 130 HA ALA 21 HA ALA 21 -8.451 -4.723 0.906 131 HB1 ALA 21 3HB ALA 21 -8.867 -7.063 0.559 132 HB2 ALA 21 1HB ALA 21 -9.263 -7.289 2.263 133 HB3 ALA 21 2HB ALA 21 -10.320 -6.325 1.231 134 H PHE 22 H PHE 22 -10.472 -3.772 1.600 135 HA PHE 22 HA PHE 22 -10.784 -3.450 4.493 136 HB2 PHE 22 1HB PHE 22 -10.713 -1.106 2.584 137 HB3 PHE 22 2HB PHE 22 -10.927 -1.036 4.330 138 HD1 PHE 22 HD1 PHE 22 -8.514 -2.057 1.700 139 HD2 PHE 22 HD2 PHE 22 -9.088 -0.823 5.733 140 HE1 PHE 22 HE1 PHE 22 -6.078 -1.864 1.984 141 HE2 PHE 22 HE2 PHE 22 -6.653 -0.627 6.023 142 HZ PHE 22 HZ PHE 22 -5.144 -1.147 4.148 143 H THR 23 H THR 23 -12.868 -2.593 5.120 144 HA THR 23 HA THR 23 -14.977 -3.631 3.470 145 HB THR 23 HB THR 23 -16.482 -2.921 5.287 146 HG1 THR 23 HG1 THR 23 -15.726 -1.176 6.270 147 HG21 THR 23 3HG2 THR 23 -15.392 -4.267 7.128 148 HG22 THR 23 1HG2 THR 23 -13.975 -4.391 6.086 149 HG23 THR 23 2HG2 THR 23 -15.515 -5.075 5.565 150 H GLN 24 H GLN 24 -13.940 -0.416 4.536 151 HA GLN 24 HA GLN 24 -15.796 0.750 2.568 152 HB2 GLN 24 1HB GLN 24 -14.891 1.698 5.261 153 HB3 GLN 24 2HB GLN 24 -15.384 2.870 4.046 154 HG2 GLN 24 1HG GLN 24 -17.526 1.488 3.850 155 HG3 GLN 24 2HG GLN 24 -17.020 0.735 5.362 156 HE21 GLN 24 1HE2 GLN 24 -17.677 1.661 7.162 157 HE22 GLN 24 2HE2 GLN 24 -18.227 3.291 7.325 158 H LYS 25 H LYS 25 -15.051 2.801 1.587 159 HA LYS 25 HA LYS 25 -12.419 2.484 0.526 160 HB2 LYS 25 1HB LYS 25 -12.923 4.520 -0.755 161 HB3 LYS 25 2HB LYS 25 -14.232 3.351 -0.856 162 HG2 LYS 25 1HG LYS 25 -15.548 4.603 0.712 163 HG3 LYS 25 2HG LYS 25 -14.209 5.713 1.010 164 HD2 LYS 25 1HD LYS 25 -15.243 5.358 -1.771 165 HD3 LYS 25 2HD LYS 25 -16.131 6.377 -0.635 166 HE2 LYS 25 1HE LYS 25 -14.745 7.947 -1.532 167 HE3 LYS 25 2HE LYS 25 -13.715 7.379 -0.218 168 HZ1 LYS 25 3HZ LYS 25 -13.188 7.347 -2.964 169 HZ2 LYS 25 1HZ LYS 25 -13.289 5.739 -2.446 170 HZ3 LYS 25 2HZ LYS 25 -12.201 6.799 -1.703 171 H ALA 26 H ALA 26 -13.943 4.788 2.744 172 HA ALA 26 HA ALA 26 -11.991 6.662 3.075 173 HB1 ALA 26 3HB ALA 26 -14.238 6.520 4.234 174 HB2 ALA 26 1HB ALA 26 -13.451 5.481 5.422 175 HB3 ALA 26 2HB ALA 26 -12.899 7.141 5.199 176 H HIS 27 H HIS 27 -12.058 3.403 4.419 177 HA HIS 27 HA HIS 27 -9.770 3.716 6.076 178 HB2 HIS 27 1HB HIS 27 -11.665 1.868 6.027 179 HB3 HIS 27 2HB HIS 27 -10.521 1.044 4.971 180 HD1 HIS 27 HD1 HIS 27 -11.386 0.198 7.944 181 HD2 HIS 27 HD2 HIS 27 -7.835 2.027 6.799 182 HE1 HIS 27 HE1 HIS 27 -9.724 -0.375 9.742 183 H LEU 28 H LEU 28 -10.251 2.357 2.832 184 HA LEU 28 HA LEU 28 -7.586 1.563 2.408 185 HB2 LEU 28 1HB LEU 28 -9.306 0.692 1.010 186 HB3 LEU 28 2HB LEU 28 -9.793 2.308 0.503 187 HG LEU 28 HG LEU 28 -7.464 2.465 -0.563 188 HD11 LEU 28 1HD1 LEU 28 -6.220 0.565 -0.926 189 HD12 LEU 28 2HD1 LEU 28 -7.586 -0.515 -0.648 190 HD13 LEU 28 3HD1 LEU 28 -6.808 0.290 0.714 191 HD21 LEU 28 3HD2 LEU 28 -9.933 1.593 -1.492 192 HD22 LEU 28 1HD2 LEU 28 -8.780 0.415 -2.120 193 HD23 LEU 28 2HD2 LEU 28 -8.565 2.131 -2.468 194 H ALA 29 H ALA 29 -9.287 4.419 1.104 195 HA ALA 29 HA ALA 29 -7.131 5.692 -0.049 196 HB1 ALA 29 3HB ALA 29 -8.692 7.750 1.014 197 HB2 ALA 29 1HB ALA 29 -8.819 7.029 -0.590 198 HB3 ALA 29 2HB ALA 29 -9.805 6.410 0.736 199 H GLN 30 H GLN 30 -8.300 5.997 3.295 200 HA GLN 30 HA GLN 30 -6.431 7.904 4.145 201 HB2 GLN 30 1HB GLN 30 -8.132 5.874 5.534 202 HB3 GLN 30 2HB GLN 30 -6.899 6.730 6.451 203 HG2 GLN 30 1HG GLN 30 -9.172 7.976 4.921 204 HG3 GLN 30 2HG GLN 30 -9.044 7.822 6.673 205 HE21 GLN 30 1HE2 GLN 30 -7.281 8.960 7.721 206 HE22 GLN 30 2HE2 GLN 30 -6.719 10.448 7.048 207 H HIS 31 H HIS 31 -6.050 4.602 3.385 208 HA HIS 31 HA HIS 31 -3.613 4.326 4.968 209 HB2 HIS 31 1HB HIS 31 -4.811 2.338 5.088 210 HB3 HIS 31 2HB HIS 31 -5.337 2.434 3.410 211 HD1 HIS 31 HD1 HIS 31 -2.353 1.492 5.504 212 HD2 HIS 31 HD2 HIS 31 -3.686 1.190 1.580 213 HE1 HIS 31 HE1 HIS 31 -0.731 -0.053 4.360 214 H GLN 32 H GLN 32 -4.653 4.196 1.573 215 HA GLN 32 HA GLN 32 -2.354 3.649 0.256 216 HB2 GLN 32 1HB GLN 32 -4.621 5.489 -0.348 217 HB3 GLN 32 2HB GLN 32 -3.207 5.546 -1.392 218 HG2 GLN 32 1HG GLN 32 -3.460 3.258 -1.992 219 HG3 GLN 32 2HG GLN 32 -4.708 3.017 -0.770 220 HE21 GLN 32 1HE2 GLN 32 -4.609 2.764 -3.778 221 HE22 GLN 32 2HE2 GLN 32 -5.989 3.649 -4.322 222 H LYS 33 H LYS 33 -3.009 6.470 2.143 223 HA LYS 33 HA LYS 33 -0.788 7.984 1.073 224 HB2 LYS 33 1HB LYS 33 -1.497 9.745 2.428 225 HB3 LYS 33 2HB LYS 33 -2.998 8.925 2.020 226 HG2 LYS 33 1HG LYS 33 -3.149 7.931 4.158 227 HG3 LYS 33 2HG LYS 33 -1.491 8.384 4.562 228 HD2 LYS 33 1HD LYS 33 -2.807 9.940 5.711 229 HD3 LYS 33 2HD LYS 33 -2.285 10.805 4.264 230 HE2 LYS 33 1HE LYS 33 -4.485 10.010 3.225 231 HE3 LYS 33 2HE LYS 33 -4.972 9.607 4.871 232 HZ1 LYS 33 3HZ LYS 33 -5.366 11.991 3.743 233 HZ2 LYS 33 1HZ LYS 33 -3.886 12.270 4.514 234 HZ3 LYS 33 2HZ LYS 33 -5.224 11.757 5.412 235 H THR 34 H THR 34 -1.510 6.033 3.905 236 HA THR 34 HA THR 34 0.637 6.680 5.536 237 HB THR 34 HB THR 34 -1.373 5.009 5.885 238 HG1 THR 34 HG1 THR 34 -0.391 4.542 7.759 239 HG21 THR 34 3HG2 THR 34 0.828 3.024 5.398 240 HG22 THR 34 1HG2 THR 34 -0.317 3.453 4.128 241 HG23 THR 34 2HG2 THR 34 -0.895 2.731 5.629 242 H HIS 35 H HIS 35 0.515 4.623 2.702 243 HA HIS 35 HA HIS 35 3.000 3.336 3.031 244 HB2 HIS 35 1HB HIS 35 1.139 3.815 0.754 245 HB3 HIS 35 2HB HIS 35 2.783 3.311 0.375 246 HD1 HIS 35 HD1 HIS 35 3.135 1.322 2.771 247 HD2 HIS 35 HD2 HIS 35 -0.133 1.447 0.209 248 HE1 HIS 35 HE1 HIS 35 2.110 -0.971 2.878 249 H THR 36 H THR 36 4.811 3.675 1.345 250 HA THR 36 HA THR 36 5.420 6.557 1.202 251 HB THR 36 HB THR 36 7.403 4.303 1.572 252 HG1 THR 36 HG1 THR 36 5.921 5.042 3.398 253 HG21 THR 36 3HG2 THR 36 7.698 7.295 1.401 254 HG22 THR 36 1HG2 THR 36 8.484 6.065 0.412 255 HG23 THR 36 2HG2 THR 36 8.934 6.255 2.106 256 H GLY 37 H GLY 37 5.883 7.369 -0.747 257 HA2 GLY 37 1HA GLY 37 7.323 6.141 -2.781 258 HA3 GLY 37 2HA GLY 37 5.630 5.777 -3.082 259 H GLU 38 H GLU 38 7.961 7.727 -4.076 260 HA GLU 38 HA GLU 38 6.281 10.129 -4.263 261 HB2 GLU 38 1HB GLU 38 9.241 9.722 -4.697 262 HB3 GLU 38 2HB GLU 38 8.405 11.227 -5.054 263 HG2 GLU 38 1HG GLU 38 7.962 11.657 -2.808 264 HG3 GLU 38 2HG GLU 38 8.271 9.988 -2.333 265 H LYS 39 H LYS 39 5.808 7.740 -5.843 266 HA LYS 39 HA LYS 39 6.777 7.677 -8.390 267 HB2 LYS 39 1HB LYS 39 4.857 6.509 -9.011 268 HB3 LYS 39 2HB LYS 39 4.930 6.252 -7.272 269 HG2 LYS 39 1HG LYS 39 3.276 8.422 -8.532 270 HG3 LYS 39 2HG LYS 39 2.664 6.795 -8.222 271 HD2 LYS 39 1HD LYS 39 3.151 7.062 -5.842 272 HD3 LYS 39 2HD LYS 39 3.785 8.681 -6.148 273 HE2 LYS 39 1HE LYS 39 1.674 9.533 -6.675 274 HE3 LYS 39 2HE LYS 39 0.993 7.930 -6.944 275 HZ1 LYS 39 3HZ LYS 39 1.725 9.159 -4.346 276 HZ2 LYS 39 1HZ LYS 39 1.322 7.525 -4.522 277 HZ3 LYS 39 2HZ LYS 39 0.180 8.721 -4.879 278 HA PRO 40 HA PRO 40 5.735 11.411 -10.451 279 HB2 PRO 40 1HB PRO 40 5.358 10.515 -12.986 280 HB3 PRO 40 2HB PRO 40 6.954 10.623 -12.233 281 HG2 PRO 40 1HG PRO 40 5.174 8.239 -12.565 282 HG3 PRO 40 2HG PRO 40 6.926 8.369 -12.802 283 HD2 PRO 40 1HD PRO 40 5.833 7.315 -10.560 284 HD3 PRO 40 2HD PRO 40 7.370 8.203 -10.547 285 H SER 41 H SER 41 4.064 12.373 -11.968 286 HA SER 41 HA SER 41 1.420 11.247 -11.322 287 HB2 SER 41 1HB SER 41 2.097 14.131 -11.947 288 HB3 SER 41 2HB SER 41 0.541 13.507 -11.399 289 HG SER 41 HG SER 41 2.810 13.019 -9.834 290 H GLY 42 H GLY 42 1.563 9.888 -13.219 291 HA2 GLY 42 1HA GLY 42 1.013 9.377 -15.387 292 HA3 GLY 42 2HA GLY 42 0.200 10.935 -15.436 293 HA PRO 43 HA PRO 43 4.380 10.778 -17.842 294 HB2 PRO 43 1HB PRO 43 3.594 9.799 -20.249 295 HB3 PRO 43 2HB PRO 43 4.213 8.773 -18.950 296 HG2 PRO 43 1HG PRO 43 1.380 9.305 -19.757 297 HG3 PRO 43 2HG PRO 43 2.146 7.770 -19.309 298 HD2 PRO 43 1HD PRO 43 0.611 9.188 -17.588 299 HD3 PRO 43 2HD PRO 43 1.988 8.204 -17.051 300 H SER 44 H SER 44 1.141 11.787 -18.342 301 HA SER 44 HA SER 44 2.025 14.263 -19.521 302 HB2 SER 44 1HB SER 44 1.821 12.852 -21.523 303 HB3 SER 44 2HB SER 44 0.162 12.453 -21.079 304 HG SER 44 HG SER 44 -0.123 14.859 -21.126 305 H SER 45 H SER 45 0.539 15.926 -19.286 306 HA SER 45 HA SER 45 -1.167 17.074 -18.313 307 HB2 SER 45 1HB SER 45 -2.530 15.809 -19.942 308 HB3 SER 45 2HB SER 45 -2.718 14.511 -18.762 309 HG SER 45 HG SER 45 -3.473 16.564 -17.451 310 H GLY 46 H GLY 46 0.552 16.288 -16.480 311 HA2 GLY 46 1HA GLY 46 -1.141 15.289 -14.274 312 HA3 GLY 46 2HA GLY 46 0.542 14.815 -14.444 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -7.812 -33.466 7.278 2 HA2 GLY 1 1HA GLY 1 -10.105 -33.151 5.785 3 HA3 GLY 1 2HA GLY 1 -10.475 -32.434 7.347 4 H SER 2 H SER 2 -9.146 -31.904 4.312 5 HA SER 2 HA SER 2 -7.135 -30.037 4.762 6 HB2 SER 2 1HB SER 2 -9.148 -30.239 2.514 7 HB3 SER 2 2HB SER 2 -7.779 -29.128 2.497 8 HG SER 2 HG SER 2 -7.846 -31.865 2.143 9 H SER 3 H SER 3 -7.300 -27.656 4.272 10 HA SER 3 HA SER 3 -9.757 -26.502 5.412 11 HB2 SER 3 1HB SER 3 -8.006 -26.519 7.136 12 HB3 SER 3 2HB SER 3 -6.918 -25.659 6.048 13 HG SER 3 HG SER 3 -7.844 -24.124 7.324 14 H GLY 4 H GLY 4 -10.681 -25.185 3.998 15 HA2 GLY 4 1HA GLY 4 -8.955 -23.798 2.044 16 HA3 GLY 4 2HA GLY 4 -10.619 -24.273 1.736 17 H SER 5 H SER 5 -11.584 -22.360 1.347 18 HA SER 5 HA SER 5 -12.629 -20.392 1.833 19 HB2 SER 5 1HB SER 5 -12.958 -21.488 4.103 20 HB3 SER 5 2HB SER 5 -11.527 -20.606 4.638 21 HG SER 5 HG SER 5 -12.586 -18.701 4.342 22 H SER 6 H SER 6 -10.132 -20.356 0.642 23 HA SER 6 HA SER 6 -8.065 -18.933 1.620 24 HB2 SER 6 1HB SER 6 -9.396 -18.721 -1.078 25 HB3 SER 6 2HB SER 6 -7.915 -17.842 -0.699 26 HG SER 6 HG SER 6 -7.670 -20.406 0.053 27 H GLY 7 H GLY 7 -10.888 -17.357 0.098 28 HA2 GLY 7 1HA GLY 7 -10.203 -14.916 1.606 29 HA3 GLY 7 2HA GLY 7 -11.096 -14.942 0.093 30 H THR 8 H THR 8 -12.136 -13.508 2.112 31 HA THR 8 HA THR 8 -14.557 -15.016 2.734 32 HB THR 8 HB THR 8 -14.588 -14.172 5.069 33 HG1 THR 8 HG1 THR 8 -11.836 -13.569 4.667 34 HG21 THR 8 3HG2 THR 8 -12.183 -15.870 4.393 35 HG22 THR 8 1HG2 THR 8 -13.835 -16.456 4.587 36 HG23 THR 8 2HG2 THR 8 -12.973 -15.774 5.966 37 H GLY 9 H GLY 9 -16.353 -13.629 3.400 38 HA2 GLY 9 1HA GLY 9 -17.724 -11.838 2.954 39 HA3 GLY 9 2HA GLY 9 -16.367 -10.875 3.520 40 H GLU 10 H GLU 10 -17.304 -9.327 1.942 41 HA GLU 10 HA GLU 10 -16.150 -9.811 -0.722 42 HB2 GLU 10 1HB GLU 10 -18.884 -8.864 0.006 43 HB3 GLU 10 2HB GLU 10 -18.123 -8.190 -1.429 44 HG2 GLU 10 1HG GLU 10 -18.397 -11.144 -0.962 45 HG3 GLU 10 2HG GLU 10 -19.621 -10.181 -1.788 46 H LYS 11 H LYS 11 -14.301 -8.658 0.066 47 HA LYS 11 HA LYS 11 -14.733 -5.773 0.446 48 HB2 LYS 11 1HB LYS 11 -12.449 -7.576 1.248 49 HB3 LYS 11 2HB LYS 11 -12.357 -5.821 1.328 50 HG2 LYS 11 1HG LYS 11 -12.898 -6.589 3.498 51 HG3 LYS 11 2HG LYS 11 -14.368 -5.880 2.826 52 HD2 LYS 11 1HD LYS 11 -15.222 -8.083 2.288 53 HD3 LYS 11 2HD LYS 11 -13.722 -8.828 2.844 54 HE2 LYS 11 1HE LYS 11 -15.123 -9.109 4.664 55 HE3 LYS 11 2HE LYS 11 -14.250 -7.636 5.082 56 HZ1 LYS 11 3HZ LYS 11 -17.041 -7.946 4.198 57 HZ2 LYS 11 1HZ LYS 11 -16.236 -6.480 3.944 58 HZ3 LYS 11 2HZ LYS 11 -16.428 -7.078 5.514 59 HA PRO 12 HA PRO 12 -13.056 -5.961 -3.810 60 HB2 PRO 12 1HB PRO 12 -14.317 -3.698 -4.624 61 HB3 PRO 12 2HB PRO 12 -15.098 -5.283 -4.617 62 HG2 PRO 12 1HG PRO 12 -15.298 -3.063 -2.619 63 HG3 PRO 12 2HG PRO 12 -16.582 -4.094 -3.279 64 HD2 PRO 12 1HD PRO 12 -15.484 -4.517 -0.840 65 HD3 PRO 12 2HD PRO 12 -16.082 -5.841 -1.861 66 H TYR 13 H TYR 13 -12.653 -3.954 -1.151 67 HA TYR 13 HA TYR 13 -10.953 -2.024 -2.521 68 HB2 TYR 13 1HB TYR 13 -11.507 -2.217 0.441 69 HB3 TYR 13 2HB TYR 13 -10.872 -0.834 -0.442 70 HD1 TYR 13 HD1 TYR 13 -13.117 -1.781 -2.702 71 HD2 TYR 13 HD2 TYR 13 -13.099 -0.392 1.319 72 HE1 TYR 13 HE1 TYR 13 -15.402 -0.920 -2.996 73 HE2 TYR 13 HE2 TYR 13 -15.384 0.473 1.037 74 HH TYR 13 HH TYR 13 -17.346 -0.345 -1.606 75 H GLU 14 H GLU 14 -9.309 -3.493 -3.189 76 HA GLU 14 HA GLU 14 -7.614 -4.499 -1.002 77 HB2 GLU 14 1HB GLU 14 -8.611 -6.065 -2.835 78 HB3 GLU 14 2HB GLU 14 -7.342 -5.395 -3.850 79 HG2 GLU 14 1HG GLU 14 -5.813 -6.055 -1.825 80 HG3 GLU 14 2HG GLU 14 -7.133 -7.169 -1.475 81 H CYS 15 H CYS 15 -5.717 -3.550 -0.678 82 HA CYS 15 HA CYS 15 -4.865 -1.332 -2.208 83 HB2 CYS 15 1HB CYS 15 -4.378 -1.899 0.266 84 HB3 CYS 15 2HB CYS 15 -3.060 -2.881 -0.365 85 H LYS 16 H LYS 16 -2.655 -1.146 -3.169 86 HA LYS 16 HA LYS 16 -2.128 -3.501 -4.846 87 HB2 LYS 16 1HB LYS 16 -1.549 -0.567 -5.260 88 HB3 LYS 16 2HB LYS 16 -0.916 -1.829 -6.309 89 HG2 LYS 16 1HG LYS 16 -3.854 -1.610 -5.797 90 HG3 LYS 16 2HG LYS 16 -3.064 -0.584 -6.996 91 HD2 LYS 16 1HD LYS 16 -2.129 -2.694 -8.014 92 HD3 LYS 16 2HD LYS 16 -3.205 -3.593 -6.941 93 HE2 LYS 16 1HE LYS 16 -4.239 -1.441 -8.759 94 HE3 LYS 16 2HE LYS 16 -4.008 -3.092 -9.330 95 HZ1 LYS 16 3HZ LYS 16 -5.758 -3.835 -8.157 96 HZ2 LYS 16 1HZ LYS 16 -6.258 -2.220 -8.215 97 HZ3 LYS 16 2HZ LYS 16 -5.471 -2.813 -6.840 98 H VAL 17 H VAL 17 -0.776 -1.468 -2.421 99 HA VAL 17 HA VAL 17 1.959 -2.288 -2.929 100 HB VAL 17 HB VAL 17 0.750 -0.638 -0.707 101 HG11 VAL 17 1HG1 VAL 17 2.629 -1.589 0.295 102 HG12 VAL 17 2HG1 VAL 17 3.567 -1.541 -1.199 103 HG13 VAL 17 3HG1 VAL 17 3.222 -0.049 -0.324 104 HG21 VAL 17 3HG2 VAL 17 1.303 1.221 -1.887 105 HG22 VAL 17 1HG2 VAL 17 2.705 0.460 -2.639 106 HG23 VAL 17 2HG2 VAL 17 1.085 0.121 -3.248 107 H CYS 18 H CYS 18 0.016 -2.377 0.058 108 HA CYS 18 HA CYS 18 1.473 -4.710 0.959 109 HB2 CYS 18 1HB CYS 18 0.181 -4.447 3.032 110 HB3 CYS 18 2HB CYS 18 0.935 -2.929 2.553 111 H SER 19 H SER 19 -1.353 -4.091 -0.797 112 HA SER 19 HA SER 19 -3.010 -5.421 -1.609 113 HB2 SER 19 1HB SER 19 -0.980 -7.461 -0.752 114 HB3 SER 19 2HB SER 19 -2.561 -7.980 -1.338 115 HG SER 19 HG SER 19 -2.121 -6.719 -3.243 116 H LYS 20 H LYS 20 -3.521 -4.295 0.818 117 HA LYS 20 HA LYS 20 -4.654 -6.395 2.512 118 HB2 LYS 20 1HB LYS 20 -3.278 -4.378 3.377 119 HB3 LYS 20 2HB LYS 20 -4.747 -3.450 3.108 120 HG2 LYS 20 1HG LYS 20 -5.949 -4.708 4.705 121 HG3 LYS 20 2HG LYS 20 -4.681 -5.933 4.799 122 HD2 LYS 20 1HD LYS 20 -4.192 -3.062 5.547 123 HD3 LYS 20 2HD LYS 20 -4.813 -4.241 6.705 124 HE2 LYS 20 1HE LYS 20 -2.792 -5.674 5.977 125 HE3 LYS 20 2HE LYS 20 -2.154 -4.168 5.322 126 HZ1 LYS 20 3HZ LYS 20 -3.026 -3.601 7.886 127 HZ2 LYS 20 1HZ LYS 20 -1.426 -3.700 7.345 128 HZ3 LYS 20 2HZ LYS 20 -2.183 -5.063 8.002 129 H ALA 21 H ALA 21 -6.843 -6.470 3.060 130 HA ALA 21 HA ALA 21 -8.608 -5.204 1.091 131 HB1 ALA 21 3HB ALA 21 -8.893 -7.542 1.100 132 HB2 ALA 21 1HB ALA 21 -8.932 -7.611 2.862 133 HB3 ALA 21 2HB ALA 21 -10.279 -6.894 1.977 134 H PHE 22 H PHE 22 -10.471 -4.084 1.696 135 HA PHE 22 HA PHE 22 -10.795 -3.461 4.542 136 HB2 PHE 22 1HB PHE 22 -10.733 -1.346 2.380 137 HB3 PHE 22 2HB PHE 22 -10.948 -1.080 4.107 138 HD1 PHE 22 HD1 PHE 22 -8.542 -2.174 1.530 139 HD2 PHE 22 HD2 PHE 22 -9.098 -0.914 5.558 140 HE1 PHE 22 HE1 PHE 22 -6.106 -1.942 1.791 141 HE2 PHE 22 HE2 PHE 22 -6.664 -0.679 5.824 142 HZ PHE 22 HZ PHE 22 -5.164 -1.193 3.939 143 H THR 23 H THR 23 -12.829 -1.842 4.646 144 HA THR 23 HA THR 23 -14.943 -3.111 3.029 145 HB THR 23 HB THR 23 -16.484 -2.725 4.916 146 HG1 THR 23 HG1 THR 23 -14.246 -1.430 5.922 147 HG21 THR 23 3HG2 THR 23 -15.344 -4.885 4.717 148 HG22 THR 23 1HG2 THR 23 -15.603 -4.456 6.407 149 HG23 THR 23 2HG2 THR 23 -14.004 -4.271 5.685 150 H GLN 24 H GLN 24 -13.714 -0.138 4.420 151 HA GLN 24 HA GLN 24 -15.740 1.369 2.905 152 HB2 GLN 24 1HB GLN 24 -14.147 2.219 5.329 153 HB3 GLN 24 2HB GLN 24 -15.285 3.239 4.457 154 HG2 GLN 24 1HG GLN 24 -15.909 0.736 6.004 155 HG3 GLN 24 2HG GLN 24 -16.340 2.391 6.430 156 HE21 GLN 24 1HE2 GLN 24 -17.611 -0.356 5.371 157 HE22 GLN 24 2HE2 GLN 24 -18.900 0.238 4.386 158 H LYS 25 H LYS 25 -15.048 2.401 1.163 159 HA LYS 25 HA LYS 25 -12.528 2.361 0.118 160 HB2 LYS 25 1HB LYS 25 -14.873 4.152 -0.258 161 HB3 LYS 25 2HB LYS 25 -13.341 4.675 -0.945 162 HG2 LYS 25 1HG LYS 25 -14.645 2.018 -1.496 163 HG3 LYS 25 2HG LYS 25 -14.764 3.438 -2.537 164 HD2 LYS 25 1HD LYS 25 -12.127 3.341 -2.369 165 HD3 LYS 25 2HD LYS 25 -12.448 1.640 -2.021 166 HE2 LYS 25 1HE LYS 25 -13.654 3.042 -4.389 167 HE3 LYS 25 2HE LYS 25 -12.059 2.295 -4.460 168 HZ1 LYS 25 3HZ LYS 25 -13.417 0.609 -5.183 169 HZ2 LYS 25 1HZ LYS 25 -14.690 1.020 -4.146 170 HZ3 LYS 25 2HZ LYS 25 -13.315 0.248 -3.533 171 H ALA 26 H ALA 26 -13.776 4.506 2.563 172 HA ALA 26 HA ALA 26 -11.813 6.517 2.442 173 HB1 ALA 26 3HB ALA 26 -14.048 6.444 3.744 174 HB2 ALA 26 1HB ALA 26 -13.089 5.694 5.020 175 HB3 ALA 26 2HB ALA 26 -12.678 7.309 4.441 176 H HIS 27 H HIS 27 -11.964 3.487 4.275 177 HA HIS 27 HA HIS 27 -9.572 3.877 5.726 178 HB2 HIS 27 1HB HIS 27 -11.098 1.381 4.981 179 HB3 HIS 27 2HB HIS 27 -9.669 1.359 6.010 180 HD1 HIS 27 HD1 HIS 27 -12.702 0.614 6.808 181 HD2 HIS 27 HD2 HIS 27 -10.622 4.077 7.779 182 HE1 HIS 27 HE1 HIS 27 -13.827 1.519 8.867 183 H LEU 28 H LEU 28 -10.261 2.470 2.578 184 HA LEU 28 HA LEU 28 -7.687 1.361 2.145 185 HB2 LEU 28 1HB LEU 28 -9.404 0.497 0.815 186 HB3 LEU 28 2HB LEU 28 -9.974 2.100 0.355 187 HG LEU 28 HG LEU 28 -7.742 2.311 -0.903 188 HD11 LEU 28 1HD1 LEU 28 -6.356 0.606 -0.395 189 HD12 LEU 28 2HD1 LEU 28 -7.238 -0.206 -1.688 190 HD13 LEU 28 3HD1 LEU 28 -7.675 -0.497 -0.004 191 HD21 LEU 28 3HD2 LEU 28 -9.220 2.139 -2.552 192 HD22 LEU 28 1HD2 LEU 28 -10.256 1.084 -1.589 193 HD23 LEU 28 2HD2 LEU 28 -8.942 0.397 -2.545 194 H ALA 29 H ALA 29 -9.206 4.336 0.898 195 HA ALA 29 HA ALA 29 -6.867 5.313 -0.353 196 HB1 ALA 29 3HB ALA 29 -9.571 6.275 0.163 197 HB2 ALA 29 1HB ALA 29 -8.357 7.554 0.170 198 HB3 ALA 29 2HB ALA 29 -8.531 6.511 -1.241 199 H GLN 30 H GLN 30 -8.358 6.024 2.792 200 HA GLN 30 HA GLN 30 -6.520 7.981 3.609 201 HB2 GLN 30 1HB GLN 30 -7.450 7.767 5.772 202 HB3 GLN 30 2HB GLN 30 -8.765 7.420 4.658 203 HG2 GLN 30 1HG GLN 30 -9.040 5.746 6.183 204 HG3 GLN 30 2HG GLN 30 -8.008 4.944 5.000 205 HE21 GLN 30 1HE2 GLN 30 -8.289 6.121 8.210 206 HE22 GLN 30 2HE2 GLN 30 -6.756 5.571 8.783 207 H HIS 31 H HIS 31 -6.295 4.540 3.465 208 HA HIS 31 HA HIS 31 -4.162 4.266 5.356 209 HB2 HIS 31 1HB HIS 31 -5.240 2.253 5.127 210 HB3 HIS 31 2HB HIS 31 -5.545 2.489 3.408 211 HD1 HIS 31 HD1 HIS 31 -2.658 1.637 5.722 212 HD2 HIS 31 HD2 HIS 31 -3.855 1.120 1.777 213 HE1 HIS 31 HE1 HIS 31 -0.941 0.116 4.692 214 H GLN 32 H GLN 32 -4.331 4.200 1.800 215 HA GLN 32 HA GLN 32 -1.826 3.725 1.013 216 HB2 GLN 32 1HB GLN 32 -3.504 6.048 0.050 217 HB3 GLN 32 2HB GLN 32 -2.117 5.386 -0.805 218 HG2 GLN 32 1HG GLN 32 -3.438 3.152 -0.669 219 HG3 GLN 32 2HG GLN 32 -4.823 4.206 -0.390 220 HE21 GLN 32 1HE2 GLN 32 -5.276 2.912 -2.482 221 HE22 GLN 32 2HE2 GLN 32 -4.880 3.733 -3.950 222 H LYS 33 H LYS 33 -2.890 6.743 2.509 223 HA LYS 33 HA LYS 33 -0.813 8.429 2.216 224 HB2 LYS 33 1HB LYS 33 -2.443 7.795 4.660 225 HB3 LYS 33 2HB LYS 33 -1.190 9.029 4.710 226 HG2 LYS 33 1HG LYS 33 -2.430 9.952 2.601 227 HG3 LYS 33 2HG LYS 33 -3.782 9.015 3.243 228 HD2 LYS 33 1HD LYS 33 -3.513 10.195 5.406 229 HD3 LYS 33 2HD LYS 33 -2.247 11.185 4.675 230 HE2 LYS 33 1HE LYS 33 -3.747 12.271 3.262 231 HE3 LYS 33 2HE LYS 33 -4.968 11.012 3.433 232 HZ1 LYS 33 3HZ LYS 33 -5.862 12.535 4.816 233 HZ2 LYS 33 1HZ LYS 33 -4.381 13.277 5.165 234 HZ3 LYS 33 2HZ LYS 33 -4.808 11.834 5.938 235 H THR 34 H THR 34 -0.898 5.804 4.619 236 HA THR 34 HA THR 34 1.543 6.172 5.825 237 HB THR 34 HB THR 34 1.570 3.766 6.307 238 HG1 THR 34 HG1 THR 34 0.800 2.563 4.739 239 HG21 THR 34 3HG2 THR 34 0.161 4.639 7.854 240 HG22 THR 34 1HG2 THR 34 -1.041 3.705 6.965 241 HG23 THR 34 2HG2 THR 34 -0.850 5.428 6.644 242 H HIS 35 H HIS 35 0.874 4.332 2.857 243 HA HIS 35 HA HIS 35 3.477 3.446 2.367 244 HB2 HIS 35 1HB HIS 35 1.189 4.050 0.493 245 HB3 HIS 35 2HB HIS 35 2.708 3.347 -0.054 246 HD1 HIS 35 HD1 HIS 35 3.150 1.326 2.249 247 HD2 HIS 35 HD2 HIS 35 -0.454 1.884 0.259 248 HE1 HIS 35 HE1 HIS 35 1.871 -0.816 2.562 249 H THR 36 H THR 36 1.811 6.315 1.065 250 HA THR 36 HA THR 36 3.612 7.441 -0.559 251 HB THR 36 HB THR 36 2.239 8.991 1.645 252 HG1 THR 36 HG1 THR 36 1.362 8.082 -0.901 253 HG21 THR 36 3HG2 THR 36 3.071 10.832 0.709 254 HG22 THR 36 1HG2 THR 36 2.430 10.358 -0.864 255 HG23 THR 36 2HG2 THR 36 4.035 9.822 -0.368 256 H GLY 37 H GLY 37 3.849 7.454 2.977 257 HA2 GLY 37 1HA GLY 37 6.552 8.606 2.731 258 HA3 GLY 37 2HA GLY 37 5.556 8.673 4.178 259 H GLU 38 H GLU 38 6.520 7.532 5.720 260 HA GLU 38 HA GLU 38 7.351 4.787 5.090 261 HB2 GLU 38 1HB GLU 38 9.371 6.182 5.139 262 HB3 GLU 38 2HB GLU 38 8.944 6.751 6.747 263 HG2 GLU 38 1HG GLU 38 10.654 5.053 6.879 264 HG3 GLU 38 2HG GLU 38 9.158 4.475 7.610 265 H LYS 39 H LYS 39 6.490 3.346 6.429 266 HA LYS 39 HA LYS 39 6.228 3.697 9.218 267 HB2 LYS 39 1HB LYS 39 4.317 5.132 8.083 268 HB3 LYS 39 2HB LYS 39 3.524 3.567 7.955 269 HG2 LYS 39 1HG LYS 39 3.506 3.280 10.303 270 HG3 LYS 39 2HG LYS 39 4.602 4.642 10.546 271 HD2 LYS 39 1HD LYS 39 2.804 6.097 9.515 272 HD3 LYS 39 2HD LYS 39 1.727 4.706 9.656 273 HE2 LYS 39 1HE LYS 39 2.214 4.646 12.090 274 HE3 LYS 39 2HE LYS 39 3.163 6.119 11.901 275 HZ1 LYS 39 3HZ LYS 39 1.152 6.975 12.506 276 HZ2 LYS 39 1HZ LYS 39 0.259 5.749 11.757 277 HZ3 LYS 39 2HZ LYS 39 0.958 6.975 10.826 278 HA PRO 40 HA PRO 40 6.096 -0.688 8.790 279 HB2 PRO 40 1HB PRO 40 5.420 -1.324 11.341 280 HB3 PRO 40 2HB PRO 40 7.034 -0.765 10.886 281 HG2 PRO 40 1HG PRO 40 4.769 0.772 12.099 282 HG3 PRO 40 2HG PRO 40 6.495 0.821 12.500 283 HD2 PRO 40 1HD PRO 40 5.304 2.700 10.956 284 HD3 PRO 40 2HD PRO 40 6.996 2.210 10.730 285 H SER 41 H SER 41 4.523 -1.745 7.769 286 HA SER 41 HA SER 41 1.790 -1.125 7.952 287 HB2 SER 41 1HB SER 41 3.159 -2.426 6.118 288 HB3 SER 41 2HB SER 41 2.690 -3.840 7.061 289 HG SER 41 HG SER 41 1.109 -3.502 5.543 290 H GLY 42 H GLY 42 0.480 -1.470 9.613 291 HA2 GLY 42 1HA GLY 42 0.835 -3.956 11.171 292 HA3 GLY 42 2HA GLY 42 0.449 -2.420 11.932 293 HA PRO 43 HA PRO 43 -3.375 -4.857 10.285 294 HB2 PRO 43 1HB PRO 43 -3.912 -6.510 12.370 295 HB3 PRO 43 2HB PRO 43 -2.913 -6.993 10.995 296 HG2 PRO 43 1HG PRO 43 -2.071 -6.049 13.708 297 HG3 PRO 43 2HG PRO 43 -1.421 -7.382 12.735 298 HD2 PRO 43 1HD PRO 43 -0.211 -4.964 12.888 299 HD3 PRO 43 2HD PRO 43 -0.148 -5.973 11.429 300 H SER 44 H SER 44 -4.548 -2.991 10.556 301 HA SER 44 HA SER 44 -5.508 -2.434 13.287 302 HB2 SER 44 1HB SER 44 -5.643 -0.107 12.761 303 HB3 SER 44 2HB SER 44 -4.053 -0.649 12.224 304 HG SER 44 HG SER 44 -4.825 -0.713 10.116 305 H SER 45 H SER 45 -7.655 -2.394 13.630 306 HA SER 45 HA SER 45 -9.398 -3.430 11.633 307 HB2 SER 45 1HB SER 45 -9.681 -2.542 14.467 308 HB3 SER 45 2HB SER 45 -11.145 -2.666 13.491 309 HG SER 45 HG SER 45 -10.891 -4.793 13.341 310 H GLY 46 H GLY 46 -11.628 -2.296 11.340 311 HA2 GLY 46 1HA GLY 46 -11.054 0.474 10.500 312 HA3 GLY 46 2HA GLY 46 -12.200 -0.594 9.704 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.931 -13.144 -22.478 2 HA2 GLY 1 1HA GLY 1 0.209 -14.669 -22.476 3 HA3 GLY 1 2HA GLY 1 1.440 -15.797 -23.026 4 H SER 2 H SER 2 -0.676 -14.961 -20.516 5 HA SER 2 HA SER 2 -0.121 -17.340 -19.070 6 HB2 SER 2 1HB SER 2 1.718 -15.581 -18.387 7 HB3 SER 2 2HB SER 2 0.420 -14.914 -17.398 8 HG SER 2 HG SER 2 1.905 -16.689 -16.543 9 H SER 3 H SER 3 -1.831 -17.915 -17.823 10 HA SER 3 HA SER 3 -3.952 -15.900 -17.460 11 HB2 SER 3 1HB SER 3 -4.290 -18.861 -17.999 12 HB3 SER 3 2HB SER 3 -5.598 -17.707 -17.739 13 HG SER 3 HG SER 3 -3.690 -17.575 -19.838 14 H GLY 4 H GLY 4 -3.554 -15.348 -15.357 15 HA2 GLY 4 1HA GLY 4 -4.164 -17.416 -13.377 16 HA3 GLY 4 2HA GLY 4 -2.638 -16.560 -13.210 17 H SER 5 H SER 5 -5.140 -16.680 -11.536 18 HA SER 5 HA SER 5 -5.267 -13.826 -11.007 19 HB2 SER 5 1HB SER 5 -7.667 -13.669 -11.091 20 HB3 SER 5 2HB SER 5 -7.121 -14.326 -12.634 21 HG SER 5 HG SER 5 -8.782 -15.612 -11.998 22 H SER 6 H SER 6 -5.291 -13.440 -8.884 23 HA SER 6 HA SER 6 -5.965 -15.676 -7.087 24 HB2 SER 6 1HB SER 6 -3.794 -13.617 -6.988 25 HB3 SER 6 2HB SER 6 -4.423 -14.272 -5.476 26 HG SER 6 HG SER 6 -3.133 -15.629 -7.589 27 H GLY 7 H GLY 7 -6.554 -14.873 -4.819 28 HA2 GLY 7 1HA GLY 7 -8.010 -12.332 -4.866 29 HA3 GLY 7 2HA GLY 7 -8.934 -13.797 -4.570 30 H THR 8 H THR 8 -6.753 -11.474 -3.252 31 HA THR 8 HA THR 8 -6.259 -12.934 -0.813 32 HB THR 8 HB THR 8 -5.747 -10.001 -1.321 33 HG1 THR 8 HG1 THR 8 -4.264 -12.310 -2.024 34 HG21 THR 8 3HG2 THR 8 -5.325 -10.217 0.906 35 HG22 THR 8 1HG2 THR 8 -3.774 -10.793 0.298 36 HG23 THR 8 2HG2 THR 8 -5.012 -11.948 0.791 37 H GLY 9 H GLY 9 -8.999 -12.715 -1.284 38 HA2 GLY 9 1HA GLY 9 -10.346 -12.360 0.861 39 HA3 GLY 9 2HA GLY 9 -9.872 -10.680 0.663 40 H GLU 10 H GLU 10 -12.437 -10.905 0.819 41 HA GLU 10 HA GLU 10 -13.406 -10.805 -1.961 42 HB2 GLU 10 1HB GLU 10 -14.237 -12.789 -0.636 43 HB3 GLU 10 2HB GLU 10 -15.066 -11.649 0.415 44 HG2 GLU 10 1HG GLU 10 -16.498 -12.672 -1.340 45 HG3 GLU 10 2HG GLU 10 -16.467 -10.909 -1.355 46 H LYS 11 H LYS 11 -12.717 -8.513 -1.639 47 HA LYS 11 HA LYS 11 -14.997 -6.967 -0.655 48 HB2 LYS 11 1HB LYS 11 -12.130 -6.593 0.185 49 HB3 LYS 11 2HB LYS 11 -13.293 -5.276 0.260 50 HG2 LYS 11 1HG LYS 11 -13.508 -6.062 2.373 51 HG3 LYS 11 2HG LYS 11 -14.702 -7.092 1.580 52 HD2 LYS 11 1HD LYS 11 -12.981 -8.845 1.334 53 HD3 LYS 11 2HD LYS 11 -11.838 -7.817 2.203 54 HE2 LYS 11 1HE LYS 11 -12.797 -9.457 3.708 55 HE3 LYS 11 2HE LYS 11 -13.334 -7.838 4.155 56 HZ1 LYS 11 3HZ LYS 11 -15.160 -9.403 4.226 57 HZ2 LYS 11 1HZ LYS 11 -14.909 -9.825 2.607 58 HZ3 LYS 11 2HZ LYS 11 -15.424 -8.264 3.004 59 HA PRO 12 HA PRO 12 -14.496 -4.684 -4.372 60 HB2 PRO 12 1HB PRO 12 -15.431 -2.250 -3.616 61 HB3 PRO 12 2HB PRO 12 -16.483 -3.649 -3.861 62 HG2 PRO 12 1HG PRO 12 -15.391 -2.523 -1.311 63 HG3 PRO 12 2HG PRO 12 -17.026 -3.113 -1.664 64 HD2 PRO 12 1HD PRO 12 -15.195 -4.601 -0.334 65 HD3 PRO 12 2HD PRO 12 -16.422 -5.321 -1.396 66 H TYR 13 H TYR 13 -13.015 -3.521 -1.435 67 HA TYR 13 HA TYR 13 -11.141 -1.902 -3.031 68 HB2 TYR 13 1HB TYR 13 -11.703 -1.653 -0.071 69 HB3 TYR 13 2HB TYR 13 -10.731 -0.568 -1.059 70 HD1 TYR 13 HD1 TYR 13 -11.818 0.941 -2.680 71 HD2 TYR 13 HD2 TYR 13 -14.095 -1.498 -0.040 72 HE1 TYR 13 HE1 TYR 13 -13.805 2.317 -3.132 73 HE2 TYR 13 HE2 TYR 13 -16.089 -0.130 -0.486 74 HH TYR 13 HH TYR 13 -16.789 1.878 -1.346 75 H GLU 14 H GLU 14 -9.176 -2.714 -3.266 76 HA GLU 14 HA GLU 14 -7.968 -4.233 -1.078 77 HB2 GLU 14 1HB GLU 14 -9.073 -5.769 -2.816 78 HB3 GLU 14 2HB GLU 14 -7.794 -5.251 -3.906 79 HG2 GLU 14 1HG GLU 14 -6.162 -6.018 -2.127 80 HG3 GLU 14 2HG GLU 14 -7.539 -6.792 -1.345 81 H CYS 15 H CYS 15 -5.993 -3.504 -0.679 82 HA CYS 15 HA CYS 15 -4.759 -1.544 -2.329 83 HB2 CYS 15 1HB CYS 15 -4.555 -1.737 0.189 84 HB3 CYS 15 2HB CYS 15 -3.451 -3.080 -0.083 85 H LYS 16 H LYS 16 -2.464 -1.729 -3.066 86 HA LYS 16 HA LYS 16 -2.027 -4.364 -4.307 87 HB2 LYS 16 1HB LYS 16 -2.455 -2.174 -5.695 88 HB3 LYS 16 2HB LYS 16 -0.762 -1.856 -5.342 89 HG2 LYS 16 1HG LYS 16 -0.154 -3.997 -6.369 90 HG3 LYS 16 2HG LYS 16 -1.854 -4.286 -6.747 91 HD2 LYS 16 1HD LYS 16 -0.883 -3.428 -8.725 92 HD3 LYS 16 2HD LYS 16 -1.803 -2.097 -8.021 93 HE2 LYS 16 1HE LYS 16 0.154 -1.017 -8.503 94 HE3 LYS 16 2HE LYS 16 0.504 -1.565 -6.864 95 HZ1 LYS 16 3HZ LYS 16 2.204 -1.967 -8.767 96 HZ2 LYS 16 1HZ LYS 16 1.215 -3.290 -9.132 97 HZ3 LYS 16 2HZ LYS 16 1.937 -3.170 -7.608 98 H VAL 17 H VAL 17 -0.517 -1.702 -2.584 99 HA VAL 17 HA VAL 17 2.146 -2.625 -2.709 100 HB VAL 17 HB VAL 17 0.822 -0.914 -0.600 101 HG11 VAL 17 1HG1 VAL 17 2.913 -1.944 0.182 102 HG12 VAL 17 2HG1 VAL 17 3.754 -1.268 -1.215 103 HG13 VAL 17 3HG1 VAL 17 3.059 -0.196 0.001 104 HG21 VAL 17 3HG2 VAL 17 0.611 0.261 -2.604 105 HG22 VAL 17 1HG2 VAL 17 2.105 0.892 -1.910 106 HG23 VAL 17 2HG2 VAL 17 2.169 -0.300 -3.208 107 H CYS 18 H CYS 18 -0.225 -2.851 -0.051 108 HA CYS 18 HA CYS 18 1.315 -5.125 1.009 109 HB2 CYS 18 1HB CYS 18 0.228 -4.623 3.180 110 HB3 CYS 18 2HB CYS 18 1.195 -3.279 2.581 111 H SER 19 H SER 19 -0.865 -5.011 -1.095 112 HA SER 19 HA SER 19 -2.889 -6.003 -1.590 113 HB2 SER 19 1HB SER 19 -1.049 -7.786 -1.635 114 HB3 SER 19 2HB SER 19 -1.698 -8.334 -0.090 115 HG SER 19 HG SER 19 -2.515 -9.201 -2.288 116 H LYS 20 H LYS 20 -2.889 -4.580 0.972 117 HA LYS 20 HA LYS 20 -4.427 -6.184 2.806 118 HB2 LYS 20 1HB LYS 20 -2.904 -4.416 3.604 119 HB3 LYS 20 2HB LYS 20 -3.893 -3.207 2.794 120 HG2 LYS 20 1HG LYS 20 -5.627 -3.419 4.308 121 HG3 LYS 20 2HG LYS 20 -5.114 -5.027 4.825 122 HD2 LYS 20 1HD LYS 20 -3.537 -2.512 5.354 123 HD3 LYS 20 2HD LYS 20 -4.698 -3.200 6.492 124 HE2 LYS 20 1HE LYS 20 -3.378 -5.331 6.398 125 HE3 LYS 20 2HE LYS 20 -2.161 -4.461 5.465 126 HZ1 LYS 20 3HZ LYS 20 -1.870 -2.943 7.315 127 HZ2 LYS 20 1HZ LYS 20 -1.607 -4.536 7.819 128 HZ3 LYS 20 2HZ LYS 20 -3.055 -3.755 8.208 129 H ALA 21 H ALA 21 -6.544 -6.512 2.714 130 HA ALA 21 HA ALA 21 -8.158 -4.896 0.894 131 HB1 ALA 21 3HB ALA 21 -8.553 -7.134 0.459 132 HB2 ALA 21 1HB ALA 21 -8.508 -7.580 2.165 133 HB3 ALA 21 2HB ALA 21 -9.900 -6.713 1.516 134 H PHE 22 H PHE 22 -9.960 -3.747 1.514 135 HA PHE 22 HA PHE 22 -10.444 -3.519 4.409 136 HB2 PHE 22 1HB PHE 22 -10.408 -1.257 2.400 137 HB3 PHE 22 2HB PHE 22 -10.832 -1.104 4.101 138 HD1 PHE 22 HD1 PHE 22 -8.081 -1.875 1.766 139 HD2 PHE 22 HD2 PHE 22 -9.172 -0.902 5.763 140 HE1 PHE 22 HE1 PHE 22 -5.714 -1.491 2.315 141 HE2 PHE 22 HE2 PHE 22 -6.807 -0.515 6.318 142 HZ PHE 22 HZ PHE 22 -5.074 -0.809 4.593 143 H THR 23 H THR 23 -12.591 -2.631 4.949 144 HA THR 23 HA THR 23 -14.611 -3.870 3.282 145 HB THR 23 HB THR 23 -14.782 -4.223 5.671 146 HG1 THR 23 HG1 THR 23 -16.854 -2.409 4.970 147 HG21 THR 23 3HG2 THR 23 -14.649 -1.239 5.761 148 HG22 THR 23 1HG2 THR 23 -13.815 -2.430 6.759 149 HG23 THR 23 2HG2 THR 23 -15.528 -2.106 7.020 150 H GLN 24 H GLN 24 -13.498 -0.670 4.102 151 HA GLN 24 HA GLN 24 -15.563 0.451 2.327 152 HB2 GLN 24 1HB GLN 24 -14.593 1.382 4.989 153 HB3 GLN 24 2HB GLN 24 -15.045 2.594 3.798 154 HG2 GLN 24 1HG GLN 24 -16.853 0.343 4.630 155 HG3 GLN 24 2HG GLN 24 -16.844 1.924 5.409 156 HE21 GLN 24 1HE2 GLN 24 -18.433 3.157 4.740 157 HE22 GLN 24 2HE2 GLN 24 -19.077 3.221 3.138 158 H LYS 25 H LYS 25 -14.841 2.766 1.618 159 HA LYS 25 HA LYS 25 -12.274 2.429 0.317 160 HB2 LYS 25 1HB LYS 25 -12.891 4.369 -0.998 161 HB3 LYS 25 2HB LYS 25 -14.241 3.243 -0.941 162 HG2 LYS 25 1HG LYS 25 -15.360 5.176 -0.550 163 HG3 LYS 25 2HG LYS 25 -14.943 4.757 1.113 164 HD2 LYS 25 1HD LYS 25 -14.309 6.978 1.002 165 HD3 LYS 25 2HD LYS 25 -12.794 6.147 0.642 166 HE2 LYS 25 1HE LYS 25 -12.913 6.656 -1.626 167 HE3 LYS 25 2HE LYS 25 -14.646 6.974 -1.562 168 HZ1 LYS 25 3HZ LYS 25 -13.261 8.995 -1.769 169 HZ2 LYS 25 1HZ LYS 25 -12.598 8.672 -0.247 170 HZ3 LYS 25 2HZ LYS 25 -14.249 9.002 -0.396 171 H ALA 26 H ALA 26 -13.789 4.648 2.618 172 HA ALA 26 HA ALA 26 -11.867 6.587 2.867 173 HB1 ALA 26 3HB ALA 26 -14.118 6.329 4.083 174 HB2 ALA 26 1HB ALA 26 -13.194 5.452 5.302 175 HB3 ALA 26 2HB ALA 26 -12.796 7.130 4.932 176 H HIS 27 H HIS 27 -11.874 3.353 4.284 177 HA HIS 27 HA HIS 27 -9.598 3.689 5.921 178 HB2 HIS 27 1HB HIS 27 -11.141 1.368 4.869 179 HB3 HIS 27 2HB HIS 27 -9.528 1.057 5.503 180 HD1 HIS 27 HD1 HIS 27 -9.321 0.845 7.980 181 HD2 HIS 27 HD2 HIS 27 -12.914 2.594 6.841 182 HE1 HIS 27 HE1 HIS 27 -10.670 1.048 10.093 183 H LEU 28 H LEU 28 -9.993 2.462 2.619 184 HA LEU 28 HA LEU 28 -7.247 1.838 2.242 185 HB2 LEU 28 1HB LEU 28 -8.930 0.779 0.890 186 HB3 LEU 28 2HB LEU 28 -9.477 2.339 0.279 187 HG LEU 28 HG LEU 28 -7.054 2.508 -0.669 188 HD11 LEU 28 1HD1 LEU 28 -6.829 0.068 0.590 189 HD12 LEU 28 2HD1 LEU 28 -5.751 0.701 -0.654 190 HD13 LEU 28 3HD1 LEU 28 -7.082 -0.365 -1.101 191 HD21 LEU 28 3HD2 LEU 28 -9.343 2.156 -1.837 192 HD22 LEU 28 1HD2 LEU 28 -8.793 0.492 -2.032 193 HD23 LEU 28 2HD2 LEU 28 -7.857 1.817 -2.726 194 H ALA 29 H ALA 29 -9.235 4.482 0.899 195 HA ALA 29 HA ALA 29 -7.257 5.936 -0.337 196 HB1 ALA 29 3HB ALA 29 -8.930 7.873 0.749 197 HB2 ALA 29 1HB ALA 29 -9.100 7.082 -0.818 198 HB3 ALA 29 2HB ALA 29 -9.944 6.439 0.591 199 H GLN 30 H GLN 30 -8.240 6.068 3.066 200 HA GLN 30 HA GLN 30 -6.396 8.137 3.751 201 HB2 GLN 30 1HB GLN 30 -8.478 7.680 5.023 202 HB3 GLN 30 2HB GLN 30 -7.785 6.157 5.563 203 HG2 GLN 30 1HG GLN 30 -7.544 7.756 7.311 204 HG3 GLN 30 2HG GLN 30 -5.949 7.432 6.634 205 HE21 GLN 30 1HE2 GLN 30 -4.818 9.055 5.697 206 HE22 GLN 30 2HE2 GLN 30 -5.354 10.696 5.636 207 H HIS 31 H HIS 31 -6.325 4.631 3.781 208 HA HIS 31 HA HIS 31 -4.002 4.302 5.345 209 HB2 HIS 31 1HB HIS 31 -5.132 2.312 5.117 210 HB3 HIS 31 2HB HIS 31 -5.534 2.609 3.429 211 HD1 HIS 31 HD1 HIS 31 -2.246 2.116 5.302 212 HD2 HIS 31 HD2 HIS 31 -4.239 0.816 1.896 213 HE1 HIS 31 HE1 HIS 31 -0.680 0.498 4.183 214 H GLN 32 H GLN 32 -4.462 4.480 1.825 215 HA GLN 32 HA GLN 32 -1.972 4.001 0.874 216 HB2 GLN 32 1HB GLN 32 -3.960 6.103 0.037 217 HB3 GLN 32 2HB GLN 32 -2.467 5.828 -0.850 218 HG2 GLN 32 1HG GLN 32 -3.139 3.483 -1.197 219 HG3 GLN 32 2HG GLN 32 -4.664 3.827 -0.383 220 HE21 GLN 32 1HE2 GLN 32 -6.191 3.822 -1.872 221 HE22 GLN 32 2HE2 GLN 32 -6.133 4.651 -3.386 222 H LYS 33 H LYS 33 -3.077 7.034 2.332 223 HA LYS 33 HA LYS 33 -0.966 8.699 1.898 224 HB2 LYS 33 1HB LYS 33 -2.788 8.332 4.242 225 HB3 LYS 33 2HB LYS 33 -1.450 9.466 4.369 226 HG2 LYS 33 1HG LYS 33 -3.044 10.886 3.616 227 HG3 LYS 33 2HG LYS 33 -2.442 10.310 2.060 228 HD2 LYS 33 1HD LYS 33 -4.245 8.522 2.199 229 HD3 LYS 33 2HD LYS 33 -4.924 9.459 3.532 230 HE2 LYS 33 1HE LYS 33 -4.344 10.657 0.835 231 HE3 LYS 33 2HE LYS 33 -5.885 9.892 1.221 232 HZ1 LYS 33 3HZ LYS 33 -5.108 11.768 3.221 233 HZ2 LYS 33 1HZ LYS 33 -6.542 11.684 2.326 234 HZ3 LYS 33 2HZ LYS 33 -5.200 12.498 1.697 235 H THR 34 H THR 34 -1.149 6.092 4.274 236 HA THR 34 HA THR 34 1.246 6.617 5.631 237 HB THR 34 HB THR 34 1.170 4.315 6.403 238 HG1 THR 34 HG1 THR 34 0.359 3.661 4.122 239 HG21 THR 34 3HG2 THR 34 -0.908 6.182 6.677 240 HG22 THR 34 1HG2 THR 34 -0.515 4.849 7.761 241 HG23 THR 34 2HG2 THR 34 -1.689 4.615 6.466 242 H HIS 35 H HIS 35 0.590 4.850 2.659 243 HA HIS 35 HA HIS 35 3.149 3.683 2.370 244 HB2 HIS 35 1HB HIS 35 0.882 4.255 0.488 245 HB3 HIS 35 2HB HIS 35 2.421 3.666 -0.134 246 HD1 HIS 35 HD1 HIS 35 3.076 1.598 2.065 247 HD2 HIS 35 HD2 HIS 35 -0.642 2.006 0.254 248 HE1 HIS 35 HE1 HIS 35 1.940 -0.627 2.352 249 H THR 36 H THR 36 1.727 6.641 1.003 250 HA THR 36 HA THR 36 4.330 7.435 -0.046 251 HB THR 36 HB THR 36 2.346 7.739 -1.478 252 HG1 THR 36 HG1 THR 36 3.118 10.359 -0.858 253 HG21 THR 36 3HG2 THR 36 0.941 9.845 -0.756 254 HG22 THR 36 1HG2 THR 36 1.429 9.346 0.863 255 HG23 THR 36 2HG2 THR 36 0.522 8.237 -0.166 256 H GLY 37 H GLY 37 4.069 7.323 2.794 257 HA2 GLY 37 1HA GLY 37 4.170 8.650 4.706 258 HA3 GLY 37 2HA GLY 37 5.409 9.430 3.734 259 H GLU 38 H GLU 38 5.154 11.516 3.239 260 HA GLU 38 HA GLU 38 2.470 12.675 3.240 261 HB2 GLU 38 1HB GLU 38 3.137 14.520 4.682 262 HB3 GLU 38 2HB GLU 38 3.335 12.988 5.521 263 HG2 GLU 38 1HG GLU 38 5.679 13.057 5.307 264 HG3 GLU 38 2HG GLU 38 5.608 14.364 4.126 265 H LYS 39 H LYS 39 2.218 14.417 1.888 266 HA LYS 39 HA LYS 39 3.497 14.699 -0.420 267 HB2 LYS 39 1HB LYS 39 1.537 16.075 0.472 268 HB3 LYS 39 2HB LYS 39 2.743 17.183 1.114 269 HG2 LYS 39 1HG LYS 39 2.055 18.085 -0.946 270 HG3 LYS 39 2HG LYS 39 3.642 17.370 -1.237 271 HD2 LYS 39 1HD LYS 39 2.275 15.270 -1.933 272 HD3 LYS 39 2HD LYS 39 0.943 16.415 -2.108 273 HE2 LYS 39 1HE LYS 39 2.588 17.790 -3.527 274 HE3 LYS 39 2HE LYS 39 3.548 16.313 -3.593 275 HZ1 LYS 39 3HZ LYS 39 2.166 16.350 -5.498 276 HZ2 LYS 39 1HZ LYS 39 0.784 16.709 -4.590 277 HZ3 LYS 39 2HZ LYS 39 1.512 15.188 -4.457 278 HA PRO 40 HA PRO 40 7.657 15.675 1.136 279 HB2 PRO 40 1HB PRO 40 8.923 14.758 -1.084 280 HB3 PRO 40 2HB PRO 40 8.388 13.697 0.224 281 HG2 PRO 40 1HG PRO 40 7.077 14.273 -2.405 282 HG3 PRO 40 2HG PRO 40 7.277 12.721 -1.571 283 HD2 PRO 40 1HD PRO 40 4.956 14.113 -1.521 284 HD3 PRO 40 2HD PRO 40 5.494 13.105 -0.163 285 H SER 41 H SER 41 7.969 17.824 1.061 286 HA SER 41 HA SER 41 7.993 19.974 0.209 287 HB2 SER 41 1HB SER 41 10.299 19.138 -0.034 288 HB3 SER 41 2HB SER 41 9.911 18.544 -1.648 289 HG SER 41 HG SER 41 10.495 20.463 -2.265 290 H GLY 42 H GLY 42 5.741 18.709 -0.787 291 HA2 GLY 42 1HA GLY 42 5.705 19.380 -3.651 292 HA3 GLY 42 2HA GLY 42 4.523 18.378 -2.823 293 HA PRO 43 HA PRO 43 3.385 23.055 -3.016 294 HB2 PRO 43 1HB PRO 43 2.085 23.185 -5.396 295 HB3 PRO 43 2HB PRO 43 3.809 23.533 -5.223 296 HG2 PRO 43 1HG PRO 43 2.467 21.026 -6.160 297 HG3 PRO 43 2HG PRO 43 3.894 21.846 -6.821 298 HD2 PRO 43 1HD PRO 43 4.075 19.669 -5.220 299 HD3 PRO 43 2HD PRO 43 5.300 20.954 -5.227 300 H SER 44 H SER 44 2.066 20.038 -2.971 301 HA SER 44 HA SER 44 0.010 19.155 -2.520 302 HB2 SER 44 1HB SER 44 -1.282 20.341 -0.826 303 HB3 SER 44 2HB SER 44 0.437 20.458 -0.453 304 HG SER 44 HG SER 44 -1.256 22.437 -1.560 305 H SER 45 H SER 45 0.178 20.305 -5.065 306 HA SER 45 HA SER 45 -2.203 21.890 -5.507 307 HB2 SER 45 1HB SER 45 -0.344 20.650 -7.549 308 HB3 SER 45 2HB SER 45 -1.527 21.926 -7.837 309 HG SER 45 HG SER 45 0.155 22.586 -5.824 310 H GLY 46 H GLY 46 -4.162 21.114 -5.938 311 HA2 GLY 46 1HA GLY 46 -4.873 18.450 -5.768 312 HA3 GLY 46 2HA GLY 46 -5.847 19.682 -6.558 Start of MODEL 17 1 H1 GLY 1 H GLY 1 1.260 -23.184 -1.952 2 HA2 GLY 1 1HA GLY 1 1.671 -26.029 -2.569 3 HA3 GLY 1 2HA GLY 1 2.568 -25.308 -1.241 4 H SER 2 H SER 2 1.505 -24.767 0.667 5 HA SER 2 HA SER 2 -0.974 -26.229 1.087 6 HB2 SER 2 1HB SER 2 -0.562 -25.795 3.481 7 HB3 SER 2 2HB SER 2 0.843 -26.524 2.705 8 HG SER 2 HG SER 2 0.468 -23.888 3.603 9 H SER 3 H SER 3 -2.347 -24.808 -0.122 10 HA SER 3 HA SER 3 -2.972 -22.306 1.308 11 HB2 SER 3 1HB SER 3 -2.063 -22.211 -1.134 12 HB3 SER 3 2HB SER 3 -3.684 -22.741 -1.579 13 HG SER 3 HG SER 3 -4.253 -20.742 -1.359 14 H GLY 4 H GLY 4 -4.449 -23.382 2.681 15 HA2 GLY 4 1HA GLY 4 -6.890 -24.343 1.320 16 HA3 GLY 4 2HA GLY 4 -6.340 -24.940 2.879 17 H SER 5 H SER 5 -5.718 -22.561 4.157 18 HA SER 5 HA SER 5 -8.302 -21.718 4.990 19 HB2 SER 5 1HB SER 5 -5.523 -20.735 5.650 20 HB3 SER 5 2HB SER 5 -6.976 -20.046 6.372 21 HG SER 5 HG SER 5 -6.771 -22.807 6.454 22 H SER 6 H SER 6 -9.566 -20.309 3.996 23 HA SER 6 HA SER 6 -8.424 -17.879 2.864 24 HB2 SER 6 1HB SER 6 -8.637 -19.745 1.073 25 HB3 SER 6 2HB SER 6 -10.371 -19.442 1.185 26 HG SER 6 HG SER 6 -8.376 -17.514 0.576 27 H GLY 7 H GLY 7 -10.016 -16.216 2.463 28 HA2 GLY 7 1HA GLY 7 -12.189 -16.365 4.389 29 HA3 GLY 7 2HA GLY 7 -11.654 -14.930 3.526 30 H THR 8 H THR 8 -14.204 -14.979 3.595 31 HA THR 8 HA THR 8 -15.082 -16.127 1.026 32 HB THR 8 HB THR 8 -16.784 -15.761 3.499 33 HG1 THR 8 HG1 THR 8 -15.488 -17.560 3.767 34 HG21 THR 8 3HG2 THR 8 -18.120 -15.442 1.529 35 HG22 THR 8 1HG2 THR 8 -18.459 -17.051 2.165 36 HG23 THR 8 2HG2 THR 8 -17.411 -16.861 0.760 37 H GLY 9 H GLY 9 -15.531 -14.606 -0.420 38 HA2 GLY 9 1HA GLY 9 -16.817 -12.765 -1.191 39 HA3 GLY 9 2HA GLY 9 -16.905 -12.169 0.460 40 H GLU 10 H GLU 10 -15.499 -11.706 -2.511 41 HA GLU 10 HA GLU 10 -12.972 -10.660 -1.571 42 HB2 GLU 10 1HB GLU 10 -14.258 -10.537 -4.304 43 HB3 GLU 10 2HB GLU 10 -12.613 -10.040 -3.932 44 HG2 GLU 10 1HG GLU 10 -12.197 -12.396 -3.155 45 HG3 GLU 10 2HG GLU 10 -13.765 -12.812 -3.844 46 H LYS 11 H LYS 11 -12.530 -8.610 -1.055 47 HA LYS 11 HA LYS 11 -14.681 -6.701 -0.928 48 HB2 LYS 11 1HB LYS 11 -11.816 -6.727 -0.038 49 HB3 LYS 11 2HB LYS 11 -12.718 -5.218 -0.061 50 HG2 LYS 11 1HG LYS 11 -14.420 -6.278 1.403 51 HG3 LYS 11 2HG LYS 11 -13.381 -7.701 1.507 52 HD2 LYS 11 1HD LYS 11 -11.587 -5.878 2.204 53 HD3 LYS 11 2HD LYS 11 -13.036 -4.996 2.693 54 HE2 LYS 11 1HE LYS 11 -12.245 -7.766 3.589 55 HE3 LYS 11 2HE LYS 11 -12.134 -6.292 4.549 56 HZ1 LYS 11 3HZ LYS 11 -14.438 -6.134 4.706 57 HZ2 LYS 11 1HZ LYS 11 -14.142 -7.787 4.908 58 HZ3 LYS 11 2HZ LYS 11 -14.709 -7.205 3.425 59 HA PRO 12 HA PRO 12 -13.930 -4.634 -4.742 60 HB2 PRO 12 1HB PRO 12 -15.024 -2.222 -4.144 61 HB3 PRO 12 2HB PRO 12 -15.994 -3.667 -4.451 62 HG2 PRO 12 1HG PRO 12 -15.197 -2.441 -1.839 63 HG3 PRO 12 2HG PRO 12 -16.766 -3.104 -2.332 64 HD2 PRO 12 1HD PRO 12 -15.019 -4.487 -0.794 65 HD3 PRO 12 2HD PRO 12 -16.109 -5.279 -1.949 66 H TYR 13 H TYR 13 -12.667 -3.508 -1.729 67 HA TYR 13 HA TYR 13 -10.813 -1.712 -3.150 68 HB2 TYR 13 1HB TYR 13 -11.518 -1.691 -0.209 69 HB3 TYR 13 2HB TYR 13 -10.512 -0.521 -1.055 70 HD1 TYR 13 HD1 TYR 13 -11.528 1.097 -2.608 71 HD2 TYR 13 HD2 TYR 13 -13.914 -1.591 -0.330 72 HE1 TYR 13 HE1 TYR 13 -13.514 2.469 -3.079 73 HE2 TYR 13 HE2 TYR 13 -15.906 -0.227 -0.796 74 HH TYR 13 HH TYR 13 -16.514 1.505 -2.843 75 H GLU 14 H GLU 14 -8.901 -2.613 -3.495 76 HA GLU 14 HA GLU 14 -7.666 -4.169 -1.332 77 HB2 GLU 14 1HB GLU 14 -8.581 -5.723 -3.033 78 HB3 GLU 14 2HB GLU 14 -7.594 -4.935 -4.255 79 HG2 GLU 14 1HG GLU 14 -6.258 -6.030 -1.837 80 HG3 GLU 14 2HG GLU 14 -6.813 -7.147 -3.083 81 H CYS 15 H CYS 15 -5.673 -3.516 -0.852 82 HA CYS 15 HA CYS 15 -4.457 -1.406 -2.394 83 HB2 CYS 15 1HB CYS 15 -4.412 -1.361 0.066 84 HB3 CYS 15 2HB CYS 15 -3.467 -2.847 0.076 85 H LYS 16 H LYS 16 -2.647 -1.501 -3.635 86 HA LYS 16 HA LYS 16 -1.662 -4.188 -4.285 87 HB2 LYS 16 1HB LYS 16 -1.527 -1.587 -5.818 88 HB3 LYS 16 2HB LYS 16 -0.753 -3.077 -6.342 89 HG2 LYS 16 1HG LYS 16 -3.021 -4.151 -6.309 90 HG3 LYS 16 2HG LYS 16 -3.696 -2.541 -6.044 91 HD2 LYS 16 1HD LYS 16 -1.801 -2.910 -8.306 92 HD3 LYS 16 2HD LYS 16 -3.431 -3.566 -8.474 93 HE2 LYS 16 1HE LYS 16 -3.133 -0.781 -7.478 94 HE3 LYS 16 2HE LYS 16 -2.835 -1.085 -9.189 95 HZ1 LYS 16 3HZ LYS 16 -5.193 -0.483 -8.472 96 HZ2 LYS 16 1HZ LYS 16 -5.291 -2.061 -7.872 97 HZ3 LYS 16 2HZ LYS 16 -5.006 -1.799 -9.518 98 H VAL 17 H VAL 17 -0.815 -2.538 -1.959 99 HA VAL 17 HA VAL 17 2.051 -2.323 -2.618 100 HB VAL 17 HB VAL 17 0.528 -0.785 -0.510 101 HG11 VAL 17 1HG1 VAL 17 3.439 -0.805 -1.277 102 HG12 VAL 17 2HG1 VAL 17 2.694 0.476 -0.319 103 HG13 VAL 17 3HG1 VAL 17 2.731 -1.178 0.294 104 HG21 VAL 17 3HG2 VAL 17 0.572 1.069 -1.879 105 HG22 VAL 17 1HG2 VAL 17 1.924 0.461 -2.835 106 HG23 VAL 17 2HG2 VAL 17 0.313 -0.221 -3.054 107 H CYS 18 H CYS 18 -0.331 -3.292 -0.203 108 HA CYS 18 HA CYS 18 1.686 -5.088 0.958 109 HB2 CYS 18 1HB CYS 18 0.676 -4.653 3.206 110 HB3 CYS 18 2HB CYS 18 1.508 -3.263 2.517 111 H SER 19 H SER 19 -0.951 -5.038 -0.794 112 HA SER 19 HA SER 19 -2.680 -6.456 -1.215 113 HB2 SER 19 1HB SER 19 -0.683 -8.071 -0.976 114 HB3 SER 19 2HB SER 19 -1.359 -8.461 0.605 115 HG SER 19 HG SER 19 -2.842 -8.601 -1.806 116 H LYS 20 H LYS 20 -3.140 -4.628 0.814 117 HA LYS 20 HA LYS 20 -4.563 -6.130 2.893 118 HB2 LYS 20 1HB LYS 20 -2.972 -4.285 3.528 119 HB3 LYS 20 2HB LYS 20 -4.075 -3.152 2.759 120 HG2 LYS 20 1HG LYS 20 -5.842 -3.842 4.322 121 HG3 LYS 20 2HG LYS 20 -4.694 -4.923 5.115 122 HD2 LYS 20 1HD LYS 20 -3.296 -3.034 5.722 123 HD3 LYS 20 2HD LYS 20 -4.373 -1.932 4.860 124 HE2 LYS 20 1HE LYS 20 -5.182 -1.661 6.973 125 HE3 LYS 20 2HE LYS 20 -6.173 -3.027 6.463 126 HZ1 LYS 20 3HZ LYS 20 -3.747 -3.976 7.533 127 HZ2 LYS 20 1HZ LYS 20 -5.323 -4.239 8.089 128 HZ3 LYS 20 2HZ LYS 20 -4.447 -2.900 8.635 129 H ALA 21 H ALA 21 -6.749 -5.992 3.174 130 HA ALA 21 HA ALA 21 -8.239 -4.549 1.080 131 HB1 ALA 21 3HB ALA 21 -9.524 -6.789 2.534 132 HB2 ALA 21 1HB ALA 21 -9.681 -6.288 0.849 133 HB3 ALA 21 2HB ALA 21 -8.259 -7.191 1.373 134 H PHE 22 H PHE 22 -10.117 -3.434 1.642 135 HA PHE 22 HA PHE 22 -10.617 -3.102 4.521 136 HB2 PHE 22 1HB PHE 22 -10.733 -0.799 2.582 137 HB3 PHE 22 2HB PHE 22 -10.723 -0.743 4.342 138 HD1 PHE 22 HD1 PHE 22 -8.651 -1.492 1.373 139 HD2 PHE 22 HD2 PHE 22 -8.707 -0.626 5.540 140 HE1 PHE 22 HE1 PHE 22 -6.208 -1.202 1.342 141 HE2 PHE 22 HE2 PHE 22 -6.265 -0.333 5.515 142 HZ PHE 22 HZ PHE 22 -5.012 -0.620 3.415 143 H THR 23 H THR 23 -12.734 -2.786 5.126 144 HA THR 23 HA THR 23 -14.723 -3.686 3.263 145 HB THR 23 HB THR 23 -14.851 -4.373 5.602 146 HG1 THR 23 HG1 THR 23 -16.905 -2.952 4.364 147 HG21 THR 23 3HG2 THR 23 -15.900 -1.941 6.734 148 HG22 THR 23 1HG2 THR 23 -14.262 -1.685 6.134 149 HG23 THR 23 2HG2 THR 23 -14.582 -2.962 7.308 150 H GLN 24 H GLN 24 -13.478 -0.651 4.165 151 HA GLN 24 HA GLN 24 -15.697 0.678 2.770 152 HB2 GLN 24 1HB GLN 24 -14.368 1.536 5.337 153 HB3 GLN 24 2HB GLN 24 -15.310 2.637 4.341 154 HG2 GLN 24 1HG GLN 24 -17.302 1.475 4.738 155 HG3 GLN 24 2HG GLN 24 -16.451 0.056 5.346 156 HE21 GLN 24 1HE2 GLN 24 -16.272 -0.155 7.464 157 HE22 GLN 24 2HE2 GLN 24 -16.527 1.093 8.630 158 H LYS 25 H LYS 25 -15.145 2.555 1.599 159 HA LYS 25 HA LYS 25 -12.615 2.473 0.351 160 HB2 LYS 25 1HB LYS 25 -14.564 3.306 -0.827 161 HB3 LYS 25 2HB LYS 25 -14.750 4.613 0.335 162 HG2 LYS 25 1HG LYS 25 -12.286 5.172 -0.460 163 HG3 LYS 25 2HG LYS 25 -12.833 4.319 -1.906 164 HD2 LYS 25 1HD LYS 25 -14.674 5.838 -2.175 165 HD3 LYS 25 2HD LYS 25 -14.322 6.609 -0.627 166 HE2 LYS 25 1HE LYS 25 -13.473 8.037 -2.326 167 HE3 LYS 25 2HE LYS 25 -12.086 7.253 -1.571 168 HZ1 LYS 25 3HZ LYS 25 -12.979 7.133 -4.280 169 HZ2 LYS 25 1HZ LYS 25 -12.778 5.588 -3.622 170 HZ3 LYS 25 2HZ LYS 25 -11.489 6.682 -3.618 171 H ALA 26 H ALA 26 -14.033 4.984 2.455 172 HA ALA 26 HA ALA 26 -11.987 6.725 2.720 173 HB1 ALA 26 3HB ALA 26 -13.996 7.161 3.887 174 HB2 ALA 26 1HB ALA 26 -13.842 5.692 4.850 175 HB3 ALA 26 2HB ALA 26 -12.734 7.040 5.113 176 H HIS 27 H HIS 27 -12.219 3.574 4.298 177 HA HIS 27 HA HIS 27 -9.968 3.826 5.965 178 HB2 HIS 27 1HB HIS 27 -11.333 1.411 4.777 179 HB3 HIS 27 2HB HIS 27 -9.990 1.287 5.909 180 HD1 HIS 27 HD1 HIS 27 -12.900 0.240 6.486 181 HD2 HIS 27 HD2 HIS 27 -11.323 3.854 7.795 182 HE1 HIS 27 HE1 HIS 27 -14.253 0.870 8.510 183 H LEU 28 H LEU 28 -10.324 2.587 2.666 184 HA LEU 28 HA LEU 28 -7.646 1.744 2.356 185 HB2 LEU 28 1HB LEU 28 -9.217 0.867 0.847 186 HB3 LEU 28 2HB LEU 28 -9.826 2.466 0.425 187 HG LEU 28 HG LEU 28 -7.600 2.897 -0.679 188 HD11 LEU 28 1HD1 LEU 28 -6.409 1.072 0.535 189 HD12 LEU 28 2HD1 LEU 28 -6.182 1.052 -1.214 190 HD13 LEU 28 3HD1 LEU 28 -7.291 -0.091 -0.456 191 HD21 LEU 28 3HD2 LEU 28 -8.860 2.491 -2.460 192 HD22 LEU 28 1HD2 LEU 28 -9.843 1.337 -1.559 193 HD23 LEU 28 2HD2 LEU 28 -8.372 0.798 -2.370 194 H ALA 29 H ALA 29 -9.293 4.672 1.157 195 HA ALA 29 HA ALA 29 -7.054 5.932 0.082 196 HB1 ALA 29 3HB ALA 29 -8.558 7.469 -0.471 197 HB2 ALA 29 1HB ALA 29 -9.755 6.560 0.452 198 HB3 ALA 29 2HB ALA 29 -8.852 7.865 1.222 199 H GLN 30 H GLN 30 -8.194 5.753 3.387 200 HA GLN 30 HA GLN 30 -6.400 7.782 4.356 201 HB2 GLN 30 1HB GLN 30 -8.660 7.080 5.368 202 HB3 GLN 30 2HB GLN 30 -7.780 5.722 6.059 203 HG2 GLN 30 1HG GLN 30 -6.875 8.546 6.479 204 HG3 GLN 30 2HG GLN 30 -8.114 7.809 7.495 205 HE21 GLN 30 1HE2 GLN 30 -7.430 5.517 8.247 206 HE22 GLN 30 2HE2 GLN 30 -5.837 5.412 8.907 207 H HIS 31 H HIS 31 -6.143 4.489 3.576 208 HA HIS 31 HA HIS 31 -3.882 4.040 5.372 209 HB2 HIS 31 1HB HIS 31 -5.158 2.113 5.371 210 HB3 HIS 31 2HB HIS 31 -5.610 2.286 3.678 211 HD1 HIS 31 HD1 HIS 31 -3.019 0.824 5.901 212 HD2 HIS 31 HD2 HIS 31 -3.721 1.272 1.831 213 HE1 HIS 31 HE1 HIS 31 -1.389 -0.717 4.764 214 H GLN 32 H GLN 32 -4.575 3.689 1.889 215 HA GLN 32 HA GLN 32 -2.076 3.193 0.926 216 HB2 GLN 32 1HB GLN 32 -4.407 4.696 -0.175 217 HB3 GLN 32 2HB GLN 32 -2.885 4.748 -1.056 218 HG2 GLN 32 1HG GLN 32 -2.970 2.161 -0.814 219 HG3 GLN 32 2HG GLN 32 -4.688 2.434 -0.526 220 HE21 GLN 32 1HE2 GLN 32 -2.711 1.482 -2.812 221 HE22 GLN 32 2HE2 GLN 32 -3.462 2.146 -4.219 222 H LYS 33 H LYS 33 -3.300 6.209 2.174 223 HA LYS 33 HA LYS 33 -1.512 8.045 1.158 224 HB2 LYS 33 1HB LYS 33 -2.133 9.463 2.900 225 HB3 LYS 33 2HB LYS 33 -3.505 8.370 2.774 226 HG2 LYS 33 1HG LYS 33 -2.857 7.176 4.702 227 HG3 LYS 33 2HG LYS 33 -1.262 7.933 4.723 228 HD2 LYS 33 1HD LYS 33 -2.637 8.934 6.432 229 HD3 LYS 33 2HD LYS 33 -2.355 10.116 5.152 230 HE2 LYS 33 1HE LYS 33 -4.595 9.260 4.190 231 HE3 LYS 33 2HE LYS 33 -4.851 8.589 5.800 232 HZ1 LYS 33 3HZ LYS 33 -5.849 10.731 5.721 233 HZ2 LYS 33 1HZ LYS 33 -4.447 11.442 5.094 234 HZ3 LYS 33 2HZ LYS 33 -4.463 10.863 6.683 235 H THR 34 H THR 34 -1.066 5.777 3.823 236 HA THR 34 HA THR 34 1.385 6.747 4.777 237 HB THR 34 HB THR 34 -0.077 5.025 5.904 238 HG1 THR 34 HG1 THR 34 1.723 4.955 7.010 239 HG21 THR 34 3HG2 THR 34 0.652 3.541 3.540 240 HG22 THR 34 1HG2 THR 34 -0.543 3.155 4.779 241 HG23 THR 34 2HG2 THR 34 1.140 2.674 4.996 242 H HIS 35 H HIS 35 0.603 5.006 1.916 243 HA HIS 35 HA HIS 35 3.306 4.050 1.483 244 HB2 HIS 35 1HB HIS 35 0.847 3.960 -0.275 245 HB3 HIS 35 2HB HIS 35 2.392 3.219 -0.679 246 HD1 HIS 35 HD1 HIS 35 3.031 1.932 2.062 247 HD2 HIS 35 HD2 HIS 35 -0.660 1.729 0.165 248 HE1 HIS 35 HE1 HIS 35 1.902 -0.108 3.004 249 H THR 36 H THR 36 4.815 5.439 0.855 250 HA THR 36 HA THR 36 4.168 7.903 -0.477 251 HB THR 36 HB THR 36 6.665 8.213 -0.546 252 HG1 THR 36 HG1 THR 36 7.502 6.190 -0.500 253 HG21 THR 36 3HG2 THR 36 5.061 8.822 1.395 254 HG22 THR 36 1HG2 THR 36 6.799 8.843 1.691 255 HG23 THR 36 2HG2 THR 36 5.828 7.475 2.236 256 H GLY 37 H GLY 37 5.270 8.581 -2.490 257 HA2 GLY 37 1HA GLY 37 6.474 7.819 -4.499 258 HA3 GLY 37 2HA GLY 37 5.584 6.310 -4.356 259 H GLU 38 H GLU 38 5.673 9.356 -5.789 260 HA GLU 38 HA GLU 38 2.814 9.358 -6.408 261 HB2 GLU 38 1HB GLU 38 4.278 11.435 -5.721 262 HB3 GLU 38 2HB GLU 38 4.710 11.434 -7.425 263 HG2 GLU 38 1HG GLU 38 1.908 11.587 -6.338 264 HG3 GLU 38 2HG GLU 38 2.855 12.950 -6.932 265 H LYS 39 H LYS 39 2.195 8.226 -8.117 266 HA LYS 39 HA LYS 39 4.011 7.433 -10.183 267 HB2 LYS 39 1HB LYS 39 2.085 6.048 -9.382 268 HB3 LYS 39 2HB LYS 39 0.998 7.199 -10.147 269 HG2 LYS 39 1HG LYS 39 1.971 6.687 -12.323 270 HG3 LYS 39 2HG LYS 39 3.078 5.543 -11.561 271 HD2 LYS 39 1HD LYS 39 0.809 4.543 -10.624 272 HD3 LYS 39 2HD LYS 39 0.157 5.320 -12.069 273 HE2 LYS 39 1HE LYS 39 0.710 3.065 -12.632 274 HE3 LYS 39 2HE LYS 39 1.892 4.122 -13.404 275 HZ1 LYS 39 3HZ LYS 39 3.558 3.319 -12.150 276 HZ2 LYS 39 1HZ LYS 39 2.545 1.976 -11.977 277 HZ3 LYS 39 2HZ LYS 39 2.604 3.152 -10.763 278 HA PRO 40 HA PRO 40 3.490 11.133 -12.608 279 HB2 PRO 40 1HB PRO 40 5.046 10.327 -14.681 280 HB3 PRO 40 2HB PRO 40 5.711 10.905 -13.149 281 HG2 PRO 40 1HG PRO 40 5.325 8.095 -14.105 282 HG3 PRO 40 2HG PRO 40 6.710 8.808 -13.258 283 HD2 PRO 40 1HD PRO 40 4.841 7.313 -11.993 284 HD3 PRO 40 2HD PRO 40 5.689 8.654 -11.197 285 H SER 41 H SER 41 2.325 11.750 -14.417 286 HA SER 41 HA SER 41 0.567 11.591 -15.869 287 HB2 SER 41 1HB SER 41 2.282 9.291 -16.833 288 HB3 SER 41 2HB SER 41 0.942 9.986 -17.743 289 HG SER 41 HG SER 41 2.058 11.930 -17.841 290 H GLY 42 H GLY 42 -0.339 10.667 -13.590 291 HA2 GLY 42 1HA GLY 42 -1.272 7.940 -13.772 292 HA3 GLY 42 2HA GLY 42 -1.665 9.098 -12.509 293 HA PRO 43 HA PRO 43 -5.229 8.451 -15.579 294 HB2 PRO 43 1HB PRO 43 -6.872 7.036 -13.945 295 HB3 PRO 43 2HB PRO 43 -5.695 6.271 -15.020 296 HG2 PRO 43 1HG PRO 43 -5.492 6.843 -12.088 297 HG3 PRO 43 2HG PRO 43 -5.017 5.385 -12.979 298 HD2 PRO 43 1HD PRO 43 -3.230 7.265 -12.203 299 HD3 PRO 43 2HD PRO 43 -3.030 6.314 -13.689 300 H SER 44 H SER 44 -4.564 9.810 -12.582 301 HA SER 44 HA SER 44 -6.945 10.695 -11.550 302 HB2 SER 44 1HB SER 44 -4.424 11.158 -10.870 303 HB3 SER 44 2HB SER 44 -4.709 12.670 -11.733 304 HG SER 44 HG SER 44 -5.567 11.901 -9.282 305 H SER 45 H SER 45 -8.371 12.344 -11.943 306 HA SER 45 HA SER 45 -8.182 13.568 -14.605 307 HB2 SER 45 1HB SER 45 -10.574 13.806 -14.547 308 HB3 SER 45 2HB SER 45 -10.192 12.161 -14.036 309 HG SER 45 HG SER 45 -11.161 12.583 -12.234 310 H GLY 46 H GLY 46 -8.465 15.773 -14.910 311 HA2 GLY 46 1HA GLY 46 -7.863 17.394 -12.553 312 HA3 GLY 46 2HA GLY 46 -7.712 17.902 -14.229 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -19.586 -32.439 -4.246 2 HA2 GLY 1 1HA GLY 1 -17.564 -31.920 -2.156 3 HA3 GLY 1 2HA GLY 1 -17.102 -32.262 -3.816 4 H SER 2 H SER 2 -15.975 -30.171 -3.565 5 HA SER 2 HA SER 2 -15.762 -27.933 -3.933 6 HB2 SER 2 1HB SER 2 -17.032 -28.857 -6.037 7 HB3 SER 2 2HB SER 2 -18.385 -27.933 -5.384 8 HG SER 2 HG SER 2 -17.129 -26.693 -6.835 9 H SER 3 H SER 3 -16.891 -28.551 -1.478 10 HA SER 3 HA SER 3 -18.838 -26.366 -1.120 11 HB2 SER 3 1HB SER 3 -20.001 -28.352 -0.570 12 HB3 SER 3 2HB SER 3 -18.611 -29.028 0.279 13 HG SER 3 HG SER 3 -18.915 -27.520 1.911 14 H GLY 4 H GLY 4 -17.535 -24.702 -0.535 15 HA2 GLY 4 1HA GLY 4 -16.053 -25.045 1.982 16 HA3 GLY 4 2HA GLY 4 -15.239 -24.329 0.600 17 H SER 5 H SER 5 -16.705 -22.508 -0.441 18 HA SER 5 HA SER 5 -18.094 -20.935 1.569 19 HB2 SER 5 1HB SER 5 -16.687 -18.983 1.347 20 HB3 SER 5 2HB SER 5 -15.670 -20.349 1.807 21 HG SER 5 HG SER 5 -15.855 -19.009 -0.652 22 H SER 6 H SER 6 -19.873 -20.215 0.627 23 HA SER 6 HA SER 6 -19.751 -19.418 -2.206 24 HB2 SER 6 1HB SER 6 -20.974 -21.650 -1.611 25 HB3 SER 6 2HB SER 6 -22.252 -20.586 -1.023 26 HG SER 6 HG SER 6 -22.644 -21.056 -3.175 27 H GLY 7 H GLY 7 -20.522 -17.446 -2.654 28 HA2 GLY 7 1HA GLY 7 -22.502 -15.932 -2.132 29 HA3 GLY 7 2HA GLY 7 -21.912 -16.017 -0.479 30 H THR 8 H THR 8 -19.614 -15.301 -0.163 31 HA THR 8 HA THR 8 -19.287 -12.723 -1.409 32 HB THR 8 HB THR 8 -17.302 -12.519 0.098 33 HG1 THR 8 HG1 THR 8 -17.574 -14.399 1.799 34 HG21 THR 8 3HG2 THR 8 -19.466 -13.446 1.890 35 HG22 THR 8 1HG2 THR 8 -19.902 -12.220 0.701 36 HG23 THR 8 2HG2 THR 8 -18.605 -11.908 1.855 37 H GLY 9 H GLY 9 -17.075 -12.031 -2.159 38 HA2 GLY 9 1HA GLY 9 -15.648 -14.209 -3.534 39 HA3 GLY 9 2HA GLY 9 -16.197 -12.812 -4.447 40 H GLU 10 H GLU 10 -15.325 -10.703 -3.839 41 HA GLU 10 HA GLU 10 -12.897 -10.708 -2.246 42 HB2 GLU 10 1HB GLU 10 -12.246 -11.388 -4.586 43 HB3 GLU 10 2HB GLU 10 -12.800 -9.809 -5.126 44 HG2 GLU 10 1HG GLU 10 -11.162 -8.900 -3.337 45 HG3 GLU 10 2HG GLU 10 -10.442 -10.506 -3.434 46 H LYS 11 H LYS 11 -12.607 -8.818 -1.224 47 HA LYS 11 HA LYS 11 -14.537 -6.886 -1.030 48 HB2 LYS 11 1HB LYS 11 -11.633 -6.972 -0.400 49 HB3 LYS 11 2HB LYS 11 -12.406 -5.393 -0.398 50 HG2 LYS 11 1HG LYS 11 -12.707 -5.964 1.778 51 HG3 LYS 11 2HG LYS 11 -14.181 -6.654 1.094 52 HD2 LYS 11 1HD LYS 11 -11.749 -8.360 1.163 53 HD3 LYS 11 2HD LYS 11 -12.581 -8.048 2.688 54 HE2 LYS 11 1HE LYS 11 -13.929 -9.093 0.203 55 HE3 LYS 11 2HE LYS 11 -13.328 -10.117 1.506 56 HZ1 LYS 11 3HZ LYS 11 -15.326 -7.960 1.900 57 HZ2 LYS 11 1HZ LYS 11 -14.859 -9.140 3.018 58 HZ3 LYS 11 2HZ LYS 11 -15.735 -9.581 1.640 59 HA PRO 12 HA PRO 12 -14.362 -4.440 -4.682 60 HB2 PRO 12 1HB PRO 12 -15.336 -2.100 -3.709 61 HB3 PRO 12 2HB PRO 12 -16.350 -3.520 -3.988 62 HG2 PRO 12 1HG PRO 12 -15.149 -2.523 -1.434 63 HG3 PRO 12 2HG PRO 12 -16.779 -3.153 -1.733 64 HD2 PRO 12 1HD PRO 12 -14.821 -4.652 -0.615 65 HD3 PRO 12 2HD PRO 12 -16.083 -5.348 -1.651 66 H TYR 13 H TYR 13 -12.616 -3.606 -1.828 67 HA TYR 13 HA TYR 13 -10.833 -1.907 -3.437 68 HB2 TYR 13 1HB TYR 13 -11.510 -1.396 -0.536 69 HB3 TYR 13 2HB TYR 13 -10.518 -0.392 -1.587 70 HD1 TYR 13 HD1 TYR 13 -11.578 0.910 -3.412 71 HD2 TYR 13 HD2 TYR 13 -13.893 -1.241 -0.564 72 HE1 TYR 13 HE1 TYR 13 -13.565 2.208 -4.056 73 HE2 TYR 13 HE2 TYR 13 -15.887 0.050 -1.201 74 HH TYR 13 HH TYR 13 -16.728 1.356 -3.028 75 H GLU 14 H GLU 14 -8.901 -2.815 -3.564 76 HA GLU 14 HA GLU 14 -7.782 -4.120 -1.187 77 HB2 GLU 14 1HB GLU 14 -8.754 -5.791 -2.850 78 HB3 GLU 14 2HB GLU 14 -7.473 -5.293 -3.946 79 HG2 GLU 14 1HG GLU 14 -6.476 -7.093 -2.995 80 HG3 GLU 14 2HG GLU 14 -5.950 -5.844 -1.868 81 H CYS 15 H CYS 15 -5.731 -3.568 -0.774 82 HA CYS 15 HA CYS 15 -4.451 -1.597 -2.410 83 HB2 CYS 15 1HB CYS 15 -4.327 -1.636 0.087 84 HB3 CYS 15 2HB CYS 15 -3.324 -3.078 -0.027 85 H LYS 16 H LYS 16 -2.140 -1.811 -3.063 86 HA LYS 16 HA LYS 16 -1.688 -4.469 -4.242 87 HB2 LYS 16 1HB LYS 16 -0.862 -1.709 -5.131 88 HB3 LYS 16 2HB LYS 16 -0.161 -3.168 -5.817 89 HG2 LYS 16 1HG LYS 16 -1.834 -2.642 -7.318 90 HG3 LYS 16 2HG LYS 16 -2.604 -3.850 -6.286 91 HD2 LYS 16 1HD LYS 16 -3.434 -1.836 -4.913 92 HD3 LYS 16 2HD LYS 16 -3.004 -0.876 -6.331 93 HE2 LYS 16 1HE LYS 16 -4.479 -2.252 -7.710 94 HE3 LYS 16 2HE LYS 16 -4.896 -3.228 -6.303 95 HZ1 LYS 16 3HZ LYS 16 -6.393 -1.738 -5.666 96 HZ2 LYS 16 1HZ LYS 16 -6.192 -0.976 -7.163 97 HZ3 LYS 16 2HZ LYS 16 -5.309 -0.449 -5.821 98 H VAL 17 H VAL 17 -0.219 -1.876 -2.391 99 HA VAL 17 HA VAL 17 2.421 -2.884 -2.359 100 HB VAL 17 HB VAL 17 1.082 -1.188 -0.248 101 HG11 VAL 17 1HG1 VAL 17 3.962 -0.959 -0.903 102 HG12 VAL 17 2HG1 VAL 17 3.131 -0.773 0.643 103 HG13 VAL 17 3HG1 VAL 17 3.451 -2.385 -0.001 104 HG21 VAL 17 3HG2 VAL 17 2.802 0.012 -2.341 105 HG22 VAL 17 1HG2 VAL 17 1.178 -0.485 -2.817 106 HG23 VAL 17 2HG2 VAL 17 1.397 0.677 -1.509 107 H CYS 18 H CYS 18 -0.015 -2.930 0.252 108 HA CYS 18 HA CYS 18 1.343 -5.285 1.368 109 HB2 CYS 18 1HB CYS 18 0.057 -4.737 3.449 110 HB3 CYS 18 2HB CYS 18 1.196 -3.489 2.956 111 H SER 19 H SER 19 -0.650 -5.179 -0.884 112 HA SER 19 HA SER 19 -2.688 -6.094 -1.494 113 HB2 SER 19 1HB SER 19 -2.572 -8.469 -1.424 114 HB3 SER 19 2HB SER 19 -0.900 -7.911 -1.482 115 HG SER 19 HG SER 19 -1.485 -9.586 0.137 116 H LYS 20 H LYS 20 -2.911 -4.636 0.974 117 HA LYS 20 HA LYS 20 -4.383 -6.153 2.884 118 HB2 LYS 20 1HB LYS 20 -3.186 -4.071 3.457 119 HB3 LYS 20 2HB LYS 20 -4.306 -3.160 2.453 120 HG2 LYS 20 1HG LYS 20 -5.039 -2.874 4.667 121 HG3 LYS 20 2HG LYS 20 -6.152 -4.035 3.939 122 HD2 LYS 20 1HD LYS 20 -5.702 -5.048 5.958 123 HD3 LYS 20 2HD LYS 20 -4.486 -5.798 4.921 124 HE2 LYS 20 1HE LYS 20 -3.821 -3.283 6.386 125 HE3 LYS 20 2HE LYS 20 -3.827 -4.815 7.258 126 HZ1 LYS 20 3HZ LYS 20 -2.431 -5.283 4.929 127 HZ2 LYS 20 1HZ LYS 20 -1.789 -5.134 6.487 128 HZ3 LYS 20 2HZ LYS 20 -1.878 -3.781 5.477 129 H ALA 21 H ALA 21 -6.640 -5.894 3.406 130 HA ALA 21 HA ALA 21 -8.301 -5.169 1.082 131 HB1 ALA 21 3HB ALA 21 -8.576 -7.435 1.025 132 HB2 ALA 21 1HB ALA 21 -8.322 -7.622 2.761 133 HB3 ALA 21 2HB ALA 21 -9.861 -7.009 2.155 134 H PHE 22 H PHE 22 -9.901 -3.770 1.464 135 HA PHE 22 HA PHE 22 -10.686 -3.287 4.262 136 HB2 PHE 22 1HB PHE 22 -10.627 -1.148 2.138 137 HB3 PHE 22 2HB PHE 22 -10.782 -0.944 3.879 138 HD1 PHE 22 HD1 PHE 22 -8.480 -1.584 1.116 139 HD2 PHE 22 HD2 PHE 22 -8.851 -1.071 5.325 140 HE1 PHE 22 HE1 PHE 22 -6.044 -1.289 1.291 141 HE2 PHE 22 HE2 PHE 22 -6.416 -0.775 5.507 142 HZ PHE 22 HZ PHE 22 -5.009 -0.882 3.488 143 H THR 23 H THR 23 -12.851 -2.610 4.616 144 HA THR 23 HA THR 23 -14.702 -3.732 2.679 145 HB THR 23 HB THR 23 -15.005 -4.310 5.036 146 HG1 THR 23 HG1 THR 23 -17.288 -3.263 5.123 147 HG21 THR 23 3HG2 THR 23 -14.233 -1.840 5.670 148 HG22 THR 23 1HG2 THR 23 -15.236 -2.814 6.744 149 HG23 THR 23 2HG2 THR 23 -15.978 -1.589 5.715 150 H GLN 24 H GLN 24 -13.857 -0.614 4.055 151 HA GLN 24 HA GLN 24 -15.815 0.656 2.258 152 HB2 GLN 24 1HB GLN 24 -14.780 1.459 4.961 153 HB3 GLN 24 2HB GLN 24 -15.462 2.655 3.866 154 HG2 GLN 24 1HG GLN 24 -17.555 1.386 3.796 155 HG3 GLN 24 2HG GLN 24 -16.870 0.211 4.917 156 HE21 GLN 24 1HE2 GLN 24 -18.685 0.734 6.271 157 HE22 GLN 24 2HE2 GLN 24 -18.629 2.134 7.281 158 H LYS 25 H LYS 25 -15.013 3.131 1.991 159 HA LYS 25 HA LYS 25 -12.511 2.887 0.540 160 HB2 LYS 25 1HB LYS 25 -14.474 5.178 0.743 161 HB3 LYS 25 2HB LYS 25 -13.065 5.149 -0.308 162 HG2 LYS 25 1HG LYS 25 -14.591 4.460 -1.817 163 HG3 LYS 25 2HG LYS 25 -14.234 2.884 -1.107 164 HD2 LYS 25 1HD LYS 25 -16.593 3.051 -1.189 165 HD3 LYS 25 2HD LYS 25 -16.142 3.318 0.496 166 HE2 LYS 25 1HE LYS 25 -16.261 5.766 0.074 167 HE3 LYS 25 2HE LYS 25 -16.860 5.417 -1.547 168 HZ1 LYS 25 3HZ LYS 25 -18.579 5.905 0.217 169 HZ2 LYS 25 1HZ LYS 25 -18.206 4.395 0.883 170 HZ3 LYS 25 2HZ LYS 25 -18.822 4.498 -0.689 171 H ALA 26 H ALA 26 -13.870 5.051 3.023 172 HA ALA 26 HA ALA 26 -11.829 6.723 3.565 173 HB1 ALA 26 3HB ALA 26 -12.909 7.192 5.477 174 HB2 ALA 26 1HB ALA 26 -14.118 6.064 4.863 175 HB3 ALA 26 2HB ALA 26 -12.900 5.512 6.014 176 H HIS 27 H HIS 27 -12.041 3.363 4.685 177 HA HIS 27 HA HIS 27 -9.739 3.312 6.258 178 HB2 HIS 27 1HB HIS 27 -11.221 1.196 4.722 179 HB3 HIS 27 2HB HIS 27 -9.736 0.805 5.585 180 HD1 HIS 27 HD1 HIS 27 -13.288 0.939 6.047 181 HD2 HIS 27 HD2 HIS 27 -9.972 1.581 8.467 182 HE1 HIS 27 HE1 HIS 27 -14.133 0.757 8.409 183 H LEU 28 H LEU 28 -10.123 2.448 2.825 184 HA LEU 28 HA LEU 28 -7.389 1.897 2.378 185 HB2 LEU 28 1HB LEU 28 -9.126 1.061 0.908 186 HB3 LEU 28 2HB LEU 28 -9.564 2.706 0.454 187 HG LEU 28 HG LEU 28 -7.139 2.854 -0.439 188 HD11 LEU 28 1HD1 LEU 28 -6.566 0.461 -1.335 189 HD12 LEU 28 2HD1 LEU 28 -7.465 -0.061 0.089 190 HD13 LEU 28 3HD1 LEU 28 -6.044 0.969 0.272 191 HD21 LEU 28 3HD2 LEU 28 -7.857 2.108 -2.588 192 HD22 LEU 28 1HD2 LEU 28 -9.258 2.799 -1.769 193 HD23 LEU 28 2HD2 LEU 28 -9.076 1.048 -1.878 194 H ALA 29 H ALA 29 -9.343 4.728 1.430 195 HA ALA 29 HA ALA 29 -7.372 6.308 0.358 196 HB1 ALA 29 3HB ALA 29 -10.004 6.751 1.513 197 HB2 ALA 29 1HB ALA 29 -8.929 8.136 1.705 198 HB3 ALA 29 2HB ALA 29 -9.250 7.484 0.097 199 H GLN 30 H GLN 30 -8.265 6.002 3.778 200 HA GLN 30 HA GLN 30 -6.359 7.911 4.693 201 HB2 GLN 30 1HB GLN 30 -8.384 7.313 5.973 202 HB3 GLN 30 2HB GLN 30 -7.738 5.697 6.222 203 HG2 GLN 30 1HG GLN 30 -6.159 8.072 7.092 204 HG3 GLN 30 2HG GLN 30 -7.506 7.499 8.075 205 HE21 GLN 30 1HE2 GLN 30 -7.414 4.909 8.110 206 HE22 GLN 30 2HE2 GLN 30 -5.897 4.297 8.665 207 H HIS 31 H HIS 31 -6.128 4.671 3.679 208 HA HIS 31 HA HIS 31 -3.708 4.132 5.206 209 HB2 HIS 31 1HB HIS 31 -4.939 2.178 5.075 210 HB3 HIS 31 2HB HIS 31 -5.505 2.520 3.442 211 HD1 HIS 31 HD1 HIS 31 -2.139 1.767 5.072 212 HD2 HIS 31 HD2 HIS 31 -4.317 0.911 1.638 213 HE1 HIS 31 HE1 HIS 31 -0.701 0.193 3.738 214 H GLN 32 H GLN 32 -4.561 3.879 1.749 215 HA GLN 32 HA GLN 32 -2.183 3.645 0.560 216 HB2 GLN 32 1HB GLN 32 -4.459 5.459 -0.215 217 HB3 GLN 32 2HB GLN 32 -3.050 5.242 -1.244 218 HG2 GLN 32 1HG GLN 32 -4.751 2.959 -0.285 219 HG3 GLN 32 2HG GLN 32 -5.045 3.822 -1.794 220 HE21 GLN 32 1HE2 GLN 32 -4.727 1.756 -2.810 221 HE22 GLN 32 2HE2 GLN 32 -3.125 1.194 -3.131 222 H LYS 33 H LYS 33 -3.464 6.741 1.742 223 HA LYS 33 HA LYS 33 -1.657 8.561 0.975 224 HB2 LYS 33 1HB LYS 33 -2.165 9.834 2.872 225 HB3 LYS 33 2HB LYS 33 -3.568 8.790 2.683 226 HG2 LYS 33 1HG LYS 33 -2.584 7.265 4.383 227 HG3 LYS 33 2HG LYS 33 -1.303 8.453 4.637 228 HD2 LYS 33 1HD LYS 33 -4.235 9.088 4.924 229 HD3 LYS 33 2HD LYS 33 -3.220 8.559 6.268 230 HE2 LYS 33 1HE LYS 33 -1.680 10.528 5.399 231 HE3 LYS 33 2HE LYS 33 -3.212 11.126 4.765 232 HZ1 LYS 33 3HZ LYS 33 -3.261 10.229 7.523 233 HZ2 LYS 33 1HZ LYS 33 -3.979 11.585 6.811 234 HZ3 LYS 33 2HZ LYS 33 -2.341 11.618 7.230 235 H THR 34 H THR 34 -1.129 6.279 3.647 236 HA THR 34 HA THR 34 1.411 7.144 4.408 237 HB THR 34 HB THR 34 1.694 5.056 5.522 238 HG1 THR 34 HG1 THR 34 1.185 3.644 3.811 239 HG21 THR 34 3HG2 THR 34 -1.119 4.829 5.911 240 HG22 THR 34 1HG2 THR 34 -0.722 6.533 5.697 241 HG23 THR 34 2HG2 THR 34 0.078 5.592 6.956 242 H HIS 35 H HIS 35 0.454 4.747 1.977 243 HA HIS 35 HA HIS 35 3.063 3.928 1.286 244 HB2 HIS 35 1HB HIS 35 0.424 3.821 -0.163 245 HB3 HIS 35 2HB HIS 35 1.907 3.219 -0.897 246 HD1 HIS 35 HD1 HIS 35 2.987 2.004 1.878 247 HD2 HIS 35 HD2 HIS 35 -0.692 1.284 0.088 248 HE1 HIS 35 HE1 HIS 35 2.219 -0.211 2.789 249 H THR 36 H THR 36 4.587 4.838 0.063 250 HA THR 36 HA THR 36 4.111 7.473 -1.037 251 HB THR 36 HB THR 36 6.634 5.807 -0.961 252 HG1 THR 36 HG1 THR 36 6.943 6.699 0.941 253 HG21 THR 36 3HG2 THR 36 6.573 8.762 -1.414 254 HG22 THR 36 1HG2 THR 36 6.320 7.667 -2.772 255 HG23 THR 36 2HG2 THR 36 7.817 7.588 -1.842 256 H GLY 37 H GLY 37 4.896 4.236 -2.224 257 HA2 GLY 37 1HA GLY 37 4.162 3.402 -4.312 258 HA3 GLY 37 2HA GLY 37 3.970 5.055 -4.877 259 H GLU 38 H GLU 38 6.141 6.304 -4.930 260 HA GLU 38 HA GLU 38 7.900 4.782 -6.636 261 HB2 GLU 38 1HB GLU 38 7.143 7.285 -6.839 262 HB3 GLU 38 2HB GLU 38 8.486 7.580 -5.744 263 HG2 GLU 38 1HG GLU 38 10.007 6.503 -7.335 264 HG3 GLU 38 2HG GLU 38 8.656 6.251 -8.439 265 H LYS 39 H LYS 39 9.607 3.685 -5.961 266 HA LYS 39 HA LYS 39 10.518 3.812 -3.260 267 HB2 LYS 39 1HB LYS 39 12.082 2.090 -3.887 268 HB3 LYS 39 2HB LYS 39 10.529 1.737 -4.633 269 HG2 LYS 39 1HG LYS 39 11.334 2.623 -6.755 270 HG3 LYS 39 2HG LYS 39 12.888 3.007 -6.010 271 HD2 LYS 39 1HD LYS 39 11.764 0.219 -6.015 272 HD3 LYS 39 2HD LYS 39 12.735 0.840 -7.352 273 HE2 LYS 39 1HE LYS 39 13.716 1.009 -4.525 274 HE3 LYS 39 2HE LYS 39 13.904 -0.475 -5.458 275 HZ1 LYS 39 3HZ LYS 39 14.809 2.118 -6.540 276 HZ2 LYS 39 1HZ LYS 39 15.306 0.558 -6.967 277 HZ3 LYS 39 2HZ LYS 39 15.793 1.227 -5.492 278 HA PRO 40 HA PRO 40 13.483 7.057 -3.690 279 HB2 PRO 40 1HB PRO 40 14.888 6.575 -1.418 280 HB3 PRO 40 2HB PRO 40 13.286 7.321 -1.416 281 HG2 PRO 40 1HG PRO 40 14.051 4.475 -0.888 282 HG3 PRO 40 2HG PRO 40 12.886 5.498 -0.028 283 HD2 PRO 40 1HD PRO 40 12.130 3.650 -1.857 284 HD3 PRO 40 2HD PRO 40 11.238 5.165 -1.605 285 H SER 41 H SER 41 15.817 7.373 -3.842 286 HA SER 41 HA SER 41 17.195 4.919 -4.716 287 HB2 SER 41 1HB SER 41 17.240 7.731 -5.763 288 HB3 SER 41 2HB SER 41 18.628 6.674 -6.023 289 HG SER 41 HG SER 41 16.444 6.764 -7.444 290 H GLY 42 H GLY 42 18.021 4.472 -2.634 291 HA2 GLY 42 1HA GLY 42 19.454 4.681 -0.838 292 HA3 GLY 42 2HA GLY 42 20.577 5.225 -2.075 293 HA PRO 43 HA PRO 43 18.533 9.105 0.040 294 HB2 PRO 43 1HB PRO 43 17.601 8.638 2.546 295 HB3 PRO 43 2HB PRO 43 16.586 8.510 1.105 296 HG2 PRO 43 1HG PRO 43 17.945 6.345 2.662 297 HG3 PRO 43 2HG PRO 43 16.305 6.377 1.988 298 HD2 PRO 43 1HD PRO 43 18.351 5.078 0.780 299 HD3 PRO 43 2HD PRO 43 17.030 5.837 -0.132 300 H SER 44 H SER 44 20.427 6.638 1.553 301 HA SER 44 HA SER 44 21.885 8.655 3.121 302 HB2 SER 44 1HB SER 44 21.533 5.686 3.449 303 HB3 SER 44 2HB SER 44 22.884 6.523 4.213 304 HG SER 44 HG SER 44 21.492 6.956 5.722 305 H SER 45 H SER 45 22.387 5.834 1.018 306 HA SER 45 HA SER 45 25.197 6.302 0.750 307 HB2 SER 45 1HB SER 45 24.028 4.059 0.504 308 HB3 SER 45 2HB SER 45 23.474 4.619 -1.074 309 HG SER 45 HG SER 45 26.135 4.203 -0.201 310 H GLY 46 H GLY 46 22.484 6.546 -1.560 311 HA2 GLY 46 1HA GLY 46 22.431 8.778 -2.745 312 HA3 GLY 46 2HA GLY 46 24.122 8.460 -3.102 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -16.445 -25.772 -14.990 2 HA2 GLY 1 1HA GLY 1 -17.066 -23.551 -15.835 3 HA3 GLY 1 2HA GLY 1 -18.606 -24.250 -16.311 4 H SER 2 H SER 2 -16.659 -24.208 -13.321 5 HA SER 2 HA SER 2 -19.060 -23.250 -11.906 6 HB2 SER 2 1HB SER 2 -16.964 -25.138 -10.806 7 HB3 SER 2 2HB SER 2 -18.414 -24.583 -9.970 8 HG SER 2 HG SER 2 -19.233 -26.338 -10.807 9 H SER 3 H SER 3 -18.715 -21.203 -11.360 10 HA SER 3 HA SER 3 -16.250 -19.919 -11.203 11 HB2 SER 3 1HB SER 3 -18.937 -19.246 -10.005 12 HB3 SER 3 2HB SER 3 -17.541 -18.180 -9.847 13 HG SER 3 HG SER 3 -17.844 -17.553 -11.823 14 H GLY 4 H GLY 4 -18.333 -20.956 -8.493 15 HA2 GLY 4 1HA GLY 4 -16.714 -22.264 -6.862 16 HA3 GLY 4 2HA GLY 4 -16.078 -20.638 -6.663 17 H SER 5 H SER 5 -17.205 -19.142 -5.468 18 HA SER 5 HA SER 5 -19.892 -19.538 -4.609 19 HB2 SER 5 1HB SER 5 -19.593 -20.125 -2.341 20 HB3 SER 5 2HB SER 5 -18.528 -21.218 -3.224 21 HG SER 5 HG SER 5 -17.652 -20.061 -1.304 22 H SER 6 H SER 6 -20.756 -17.683 -3.800 23 HA SER 6 HA SER 6 -18.917 -15.500 -3.103 24 HB2 SER 6 1HB SER 6 -21.315 -15.234 -4.933 25 HB3 SER 6 2HB SER 6 -20.272 -13.916 -4.400 26 HG SER 6 HG SER 6 -18.528 -15.234 -5.404 27 H GLY 7 H GLY 7 -19.885 -13.800 -1.820 28 HA2 GLY 7 1HA GLY 7 -22.253 -13.310 -0.814 29 HA3 GLY 7 2HA GLY 7 -21.974 -14.877 -0.068 30 H THR 8 H THR 8 -20.698 -11.592 -0.341 31 HA THR 8 HA THR 8 -19.456 -10.310 1.074 32 HB THR 8 HB THR 8 -20.456 -12.000 3.352 33 HG1 THR 8 HG1 THR 8 -21.953 -10.722 1.486 34 HG21 THR 8 3HG2 THR 8 -18.879 -10.081 3.729 35 HG22 THR 8 1HG2 THR 8 -20.418 -9.949 4.579 36 HG23 THR 8 2HG2 THR 8 -20.138 -9.011 3.112 37 H GLY 9 H GLY 9 -18.002 -12.350 -0.094 38 HA2 GLY 9 1HA GLY 9 -16.420 -13.604 2.017 39 HA3 GLY 9 2HA GLY 9 -16.276 -13.903 0.291 40 H GLU 10 H GLU 10 -15.483 -11.934 -0.987 41 HA GLU 10 HA GLU 10 -13.183 -10.824 0.464 42 HB2 GLU 10 1HB GLU 10 -13.611 -11.079 -2.518 43 HB3 GLU 10 2HB GLU 10 -12.145 -10.516 -1.727 44 HG2 GLU 10 1HG GLU 10 -11.948 -12.745 -0.644 45 HG3 GLU 10 2HG GLU 10 -13.319 -13.282 -1.613 46 H LYS 11 H LYS 11 -12.622 -8.632 0.241 47 HA LYS 11 HA LYS 11 -14.910 -6.887 -0.154 48 HB2 LYS 11 1HB LYS 11 -12.225 -6.627 1.118 49 HB3 LYS 11 2HB LYS 11 -13.024 -5.162 0.561 50 HG2 LYS 11 1HG LYS 11 -13.726 -5.276 2.742 51 HG3 LYS 11 2HG LYS 11 -15.053 -6.083 1.903 52 HD2 LYS 11 1HD LYS 11 -12.777 -7.749 2.844 53 HD3 LYS 11 2HD LYS 11 -13.908 -7.133 4.051 54 HE2 LYS 11 1HE LYS 11 -14.926 -8.477 1.580 55 HE3 LYS 11 2HE LYS 11 -14.339 -9.443 2.933 56 HZ1 LYS 11 3HZ LYS 11 -16.672 -9.154 3.182 57 HZ2 LYS 11 1HZ LYS 11 -16.562 -7.479 2.969 58 HZ3 LYS 11 2HZ LYS 11 -15.923 -8.199 4.360 59 HA PRO 12 HA PRO 12 -13.783 -5.565 -4.199 60 HB2 PRO 12 1HB PRO 12 -15.026 -3.152 -4.225 61 HB3 PRO 12 2HB PRO 12 -15.901 -4.684 -4.338 62 HG2 PRO 12 1HG PRO 12 -15.465 -2.922 -1.957 63 HG3 PRO 12 2HG PRO 12 -16.940 -3.760 -2.474 64 HD2 PRO 12 1HD PRO 12 -15.340 -4.708 -0.506 65 HD3 PRO 12 2HD PRO 12 -16.256 -5.776 -1.589 66 H TYR 13 H TYR 13 -12.983 -3.730 -1.365 67 HA TYR 13 HA TYR 13 -11.130 -2.041 -2.885 68 HB2 TYR 13 1HB TYR 13 -11.684 -1.802 0.064 69 HB3 TYR 13 2HB TYR 13 -11.082 -0.573 -1.043 70 HD1 TYR 13 HD1 TYR 13 -12.717 0.164 -2.931 71 HD2 TYR 13 HD2 TYR 13 -13.939 -1.842 0.617 72 HE1 TYR 13 HE1 TYR 13 -15.008 1.000 -3.254 73 HE2 TYR 13 HE2 TYR 13 -16.233 -1.013 0.302 74 HH TYR 13 HH TYR 13 -17.452 0.651 -0.817 75 H GLU 14 H GLU 14 -9.145 -2.810 -3.128 76 HA GLU 14 HA GLU 14 -7.775 -3.963 -0.820 77 HB2 GLU 14 1HB GLU 14 -8.768 -5.805 -2.267 78 HB3 GLU 14 2HB GLU 14 -7.642 -5.301 -3.519 79 HG2 GLU 14 1HG GLU 14 -5.885 -5.605 -1.579 80 HG3 GLU 14 2HG GLU 14 -7.126 -6.683 -0.944 81 H CYS 15 H CYS 15 -5.587 -3.584 -0.768 82 HA CYS 15 HA CYS 15 -4.630 -1.519 -2.551 83 HB2 CYS 15 1HB CYS 15 -4.237 -1.574 -0.039 84 HB3 CYS 15 2HB CYS 15 -3.084 -2.870 -0.339 85 H LYS 16 H LYS 16 -2.391 -1.674 -3.449 86 HA LYS 16 HA LYS 16 -2.000 -4.336 -4.637 87 HB2 LYS 16 1HB LYS 16 -1.070 -3.290 -6.537 88 HB3 LYS 16 2HB LYS 16 -2.473 -2.317 -6.116 89 HG2 LYS 16 1HG LYS 16 -1.220 -0.524 -5.495 90 HG3 LYS 16 2HG LYS 16 0.147 -1.515 -4.982 91 HD2 LYS 16 1HD LYS 16 1.030 -0.639 -6.893 92 HD3 LYS 16 2HD LYS 16 0.238 -2.060 -7.579 93 HE2 LYS 16 1HE LYS 16 -1.234 0.536 -7.355 94 HE3 LYS 16 2HE LYS 16 -0.111 0.263 -8.686 95 HZ1 LYS 16 3HZ LYS 16 -1.563 -1.989 -8.726 96 HZ2 LYS 16 1HZ LYS 16 -1.898 -0.626 -9.671 97 HZ3 LYS 16 2HZ LYS 16 -2.728 -0.872 -8.218 98 H VAL 17 H VAL 17 -0.470 -1.804 -2.802 99 HA VAL 17 HA VAL 17 2.196 -2.819 -3.048 100 HB VAL 17 HB VAL 17 1.018 -0.900 -1.033 101 HG11 VAL 17 1HG1 VAL 17 3.030 -1.966 -0.165 102 HG12 VAL 17 2HG1 VAL 17 3.904 -1.540 -1.638 103 HG13 VAL 17 3HG1 VAL 17 3.334 -0.272 -0.551 104 HG21 VAL 17 3HG2 VAL 17 1.206 0.690 -2.578 105 HG22 VAL 17 1HG2 VAL 17 2.871 0.224 -2.927 106 HG23 VAL 17 2HG2 VAL 17 1.539 -0.574 -3.762 107 H CYS 18 H CYS 18 0.168 -2.520 -0.129 108 HA CYS 18 HA CYS 18 1.609 -4.695 1.124 109 HB2 CYS 18 1HB CYS 18 0.293 -4.166 3.105 110 HB3 CYS 18 2HB CYS 18 0.972 -2.693 2.420 111 H SER 19 H SER 19 -1.182 -4.329 -0.772 112 HA SER 19 HA SER 19 -2.805 -5.770 -1.453 113 HB2 SER 19 1HB SER 19 -0.802 -7.691 -0.287 114 HB3 SER 19 2HB SER 19 -2.343 -8.264 -0.926 115 HG SER 19 HG SER 19 -1.561 -8.043 -2.853 116 H LYS 20 H LYS 20 -3.436 -4.374 0.767 117 HA LYS 20 HA LYS 20 -4.666 -6.317 2.601 118 HB2 LYS 20 1HB LYS 20 -3.118 -4.414 3.429 119 HB3 LYS 20 2HB LYS 20 -4.487 -3.359 3.107 120 HG2 LYS 20 1HG LYS 20 -5.857 -4.767 4.625 121 HG3 LYS 20 2HG LYS 20 -4.399 -5.678 5.023 122 HD2 LYS 20 1HD LYS 20 -3.346 -3.647 5.867 123 HD3 LYS 20 2HD LYS 20 -4.779 -2.711 5.433 124 HE2 LYS 20 1HE LYS 20 -5.180 -3.089 7.658 125 HE3 LYS 20 2HE LYS 20 -5.998 -4.478 6.943 126 HZ1 LYS 20 3HZ LYS 20 -3.185 -4.630 7.837 127 HZ2 LYS 20 1HZ LYS 20 -4.267 -5.897 7.547 128 HZ3 LYS 20 2HZ LYS 20 -4.468 -4.907 8.903 129 H ALA 21 H ALA 21 -6.824 -6.504 2.731 130 HA ALA 21 HA ALA 21 -8.436 -4.922 0.886 131 HB1 ALA 21 3HB ALA 21 -8.644 -7.577 2.112 132 HB2 ALA 21 1HB ALA 21 -10.169 -6.699 1.995 133 HB3 ALA 21 2HB ALA 21 -9.210 -7.000 0.545 134 H PHE 22 H PHE 22 -10.221 -3.711 1.490 135 HA PHE 22 HA PHE 22 -10.552 -3.235 4.377 136 HB2 PHE 22 1HB PHE 22 -10.674 -1.107 2.231 137 HB3 PHE 22 2HB PHE 22 -10.819 -0.860 3.968 138 HD1 PHE 22 HD1 PHE 22 -8.493 -1.843 1.275 139 HD2 PHE 22 HD2 PHE 22 -8.913 -0.623 5.331 140 HE1 PHE 22 HE1 PHE 22 -6.059 -1.513 1.424 141 HE2 PHE 22 HE2 PHE 22 -6.480 -0.290 5.487 142 HZ PHE 22 HZ PHE 22 -5.050 -0.734 3.532 143 H THR 23 H THR 23 -12.645 -2.501 5.034 144 HA THR 23 HA THR 23 -14.761 -3.684 3.457 145 HB THR 23 HB THR 23 -14.821 -4.092 5.831 146 HG1 THR 23 HG1 THR 23 -16.949 -2.982 6.261 147 HG21 THR 23 3HG2 THR 23 -15.535 -1.486 6.810 148 HG22 THR 23 1HG2 THR 23 -13.951 -1.428 6.038 149 HG23 THR 23 2HG2 THR 23 -14.250 -2.566 7.352 150 H GLN 24 H GLN 24 -13.573 -0.507 4.226 151 HA GLN 24 HA GLN 24 -15.753 0.650 2.620 152 HB2 GLN 24 1HB GLN 24 -14.412 1.799 5.069 153 HB3 GLN 24 2HB GLN 24 -15.441 2.737 3.995 154 HG2 GLN 24 1HG GLN 24 -16.292 0.295 5.536 155 HG3 GLN 24 2HG GLN 24 -16.631 1.965 5.986 156 HE21 GLN 24 1HE2 GLN 24 -18.313 3.002 5.073 157 HE22 GLN 24 2HE2 GLN 24 -19.371 2.303 3.900 158 H LYS 25 H LYS 25 -15.114 2.870 1.748 159 HA LYS 25 HA LYS 25 -12.662 2.552 0.280 160 HB2 LYS 25 1HB LYS 25 -14.585 4.885 0.301 161 HB3 LYS 25 2HB LYS 25 -13.335 4.575 -0.897 162 HG2 LYS 25 1HG LYS 25 -14.506 2.850 -1.872 163 HG3 LYS 25 2HG LYS 25 -15.453 2.530 -0.417 164 HD2 LYS 25 1HD LYS 25 -16.355 4.962 -0.874 165 HD3 LYS 25 2HD LYS 25 -15.837 4.605 -2.524 166 HE2 LYS 25 1HE LYS 25 -17.351 2.867 -2.758 167 HE3 LYS 25 2HE LYS 25 -17.511 2.637 -1.017 168 HZ1 LYS 25 3HZ LYS 25 -19.489 3.653 -1.886 169 HZ2 LYS 25 1HZ LYS 25 -18.598 4.900 -2.603 170 HZ3 LYS 25 2HZ LYS 25 -18.680 4.780 -0.918 171 H ALA 26 H ALA 26 -13.922 5.022 2.519 172 HA ALA 26 HA ALA 26 -11.848 6.756 2.685 173 HB1 ALA 26 3HB ALA 26 -13.844 5.790 4.638 174 HB2 ALA 26 1HB ALA 26 -12.463 6.673 5.289 175 HB3 ALA 26 2HB ALA 26 -13.501 7.426 4.077 176 H HIS 27 H HIS 27 -12.059 3.634 4.358 177 HA HIS 27 HA HIS 27 -9.714 3.801 5.851 178 HB2 HIS 27 1HB HIS 27 -11.344 1.543 4.768 179 HB3 HIS 27 2HB HIS 27 -9.764 1.186 5.457 180 HD1 HIS 27 HD1 HIS 27 -11.002 -0.127 7.364 181 HD2 HIS 27 HD2 HIS 27 -11.779 3.953 7.251 182 HE1 HIS 27 HE1 HIS 27 -12.068 0.416 9.577 183 H LEU 28 H LEU 28 -10.182 2.347 2.630 184 HA LEU 28 HA LEU 28 -7.475 1.717 2.200 185 HB2 LEU 28 1HB LEU 28 -9.058 0.626 0.851 186 HB3 LEU 28 2HB LEU 28 -9.808 2.144 0.361 187 HG LEU 28 HG LEU 28 -7.489 2.579 -0.774 188 HD11 LEU 28 1HD1 LEU 28 -7.390 -0.281 -0.047 189 HD12 LEU 28 2HD1 LEU 28 -6.084 0.877 -0.294 190 HD13 LEU 28 3HD1 LEU 28 -6.880 0.138 -1.683 191 HD21 LEU 28 3HD2 LEU 28 -9.071 2.516 -2.363 192 HD22 LEU 28 1HD2 LEU 28 -9.895 1.138 -1.631 193 HD23 LEU 28 2HD2 LEU 28 -8.479 0.879 -2.651 194 H ALA 29 H ALA 29 -9.409 4.433 0.932 195 HA ALA 29 HA ALA 29 -7.438 5.789 -0.430 196 HB1 ALA 29 3HB ALA 29 -10.047 6.413 0.640 197 HB2 ALA 29 1HB ALA 29 -8.963 7.802 0.736 198 HB3 ALA 29 2HB ALA 29 -9.253 7.014 -0.816 199 H GLN 30 H GLN 30 -8.303 6.120 3.006 200 HA GLN 30 HA GLN 30 -6.312 8.059 3.576 201 HB2 GLN 30 1HB GLN 30 -8.151 6.350 5.175 202 HB3 GLN 30 2HB GLN 30 -6.767 7.054 6.001 203 HG2 GLN 30 1HG GLN 30 -7.476 9.275 5.381 204 HG3 GLN 30 2HG GLN 30 -8.809 8.614 4.435 205 HE21 GLN 30 1HE2 GLN 30 -8.203 10.170 7.160 206 HE22 GLN 30 2HE2 GLN 30 -9.448 9.548 8.183 207 H HIS 31 H HIS 31 -6.419 4.543 3.784 208 HA HIS 31 HA HIS 31 -4.140 4.017 5.238 209 HB2 HIS 31 1HB HIS 31 -5.289 2.093 4.718 210 HB3 HIS 31 2HB HIS 31 -5.575 2.585 3.052 211 HD1 HIS 31 HD1 HIS 31 -2.748 1.303 5.232 212 HD2 HIS 31 HD2 HIS 31 -3.888 1.456 1.240 213 HE1 HIS 31 HE1 HIS 31 -1.056 -0.087 3.996 214 H GLN 32 H GLN 32 -4.371 4.510 1.720 215 HA GLN 32 HA GLN 32 -1.863 4.113 0.851 216 HB2 GLN 32 1HB GLN 32 -3.732 6.383 0.204 217 HB3 GLN 32 2HB GLN 32 -2.197 6.180 -0.631 218 HG2 GLN 32 1HG GLN 32 -2.907 3.934 -1.340 219 HG3 GLN 32 2HG GLN 32 -4.465 4.203 -0.559 220 HE21 GLN 32 1HE2 GLN 32 -5.790 5.943 -1.366 221 HE22 GLN 32 2HE2 GLN 32 -5.684 6.396 -3.029 222 H LYS 33 H LYS 33 -2.931 7.063 2.520 223 HA LYS 33 HA LYS 33 -0.807 8.688 2.462 224 HB2 LYS 33 1HB LYS 33 -2.475 7.910 4.849 225 HB3 LYS 33 2HB LYS 33 -1.268 9.187 4.930 226 HG2 LYS 33 1HG LYS 33 -2.465 10.594 3.556 227 HG3 LYS 33 2HG LYS 33 -3.358 9.270 2.803 228 HD2 LYS 33 1HD LYS 33 -4.964 10.227 4.166 229 HD3 LYS 33 2HD LYS 33 -4.341 8.929 5.188 230 HE2 LYS 33 1HE LYS 33 -4.455 10.824 6.579 231 HE3 LYS 33 2HE LYS 33 -2.752 10.655 6.156 232 HZ1 LYS 33 3HZ LYS 33 -3.245 12.304 4.322 233 HZ2 LYS 33 1HZ LYS 33 -3.242 12.914 5.900 234 HZ3 LYS 33 2HZ LYS 33 -4.708 12.613 5.113 235 H THR 34 H THR 34 -1.020 5.801 4.512 236 HA THR 34 HA THR 34 1.385 6.048 5.876 237 HB THR 34 HB THR 34 1.330 3.612 6.175 238 HG1 THR 34 HG1 THR 34 0.035 2.342 4.966 239 HG21 THR 34 3HG2 THR 34 -1.278 5.095 6.405 240 HG22 THR 34 1HG2 THR 34 -0.087 4.771 7.664 241 HG23 THR 34 2HG2 THR 34 -1.071 3.456 7.022 242 H HIS 35 H HIS 35 0.759 4.366 2.799 243 HA HIS 35 HA HIS 35 3.365 3.494 2.318 244 HB2 HIS 35 1HB HIS 35 1.071 4.154 0.483 245 HB3 HIS 35 2HB HIS 35 2.618 3.595 -0.146 246 HD1 HIS 35 HD1 HIS 35 3.311 1.348 1.740 247 HD2 HIS 35 HD2 HIS 35 -0.535 1.985 0.303 248 HE1 HIS 35 HE1 HIS 35 2.144 -0.871 1.936 249 H THR 36 H THR 36 4.878 5.071 2.804 250 HA THR 36 HA THR 36 5.094 7.220 0.810 251 HB THR 36 HB THR 36 6.046 8.697 2.611 252 HG1 THR 36 HG1 THR 36 6.070 6.616 4.057 253 HG21 THR 36 3HG2 THR 36 3.917 9.347 1.989 254 HG22 THR 36 1HG2 THR 36 3.698 9.039 3.711 255 HG23 THR 36 2HG2 THR 36 3.184 7.836 2.528 256 H GLY 37 H GLY 37 6.385 4.738 0.684 257 HA2 GLY 37 1HA GLY 37 8.889 4.510 1.821 258 HA3 GLY 37 2HA GLY 37 8.479 3.916 0.219 259 H GLU 38 H GLU 38 8.008 6.297 -1.118 260 HA GLU 38 HA GLU 38 10.591 7.061 -1.867 261 HB2 GLU 38 1HB GLU 38 8.590 7.291 -3.305 262 HB3 GLU 38 2HB GLU 38 8.019 8.597 -2.276 263 HG2 GLU 38 1HG GLU 38 9.073 9.412 -4.329 264 HG3 GLU 38 2HG GLU 38 9.912 9.961 -2.879 265 H LYS 39 H LYS 39 8.188 8.821 0.082 266 HA LYS 39 HA LYS 39 8.446 10.356 1.750 267 HB2 LYS 39 1HB LYS 39 10.489 8.820 2.262 268 HB3 LYS 39 2HB LYS 39 11.433 10.131 1.568 269 HG2 LYS 39 1HG LYS 39 11.493 10.707 3.771 270 HG3 LYS 39 2HG LYS 39 10.053 11.590 3.260 271 HD2 LYS 39 1HD LYS 39 8.609 10.049 4.253 272 HD3 LYS 39 2HD LYS 39 9.850 8.797 4.332 273 HE2 LYS 39 1HE LYS 39 9.460 9.664 6.544 274 HE3 LYS 39 2HE LYS 39 11.061 10.165 6.002 275 HZ1 LYS 39 3HZ LYS 39 8.731 11.936 5.638 276 HZ2 LYS 39 1HZ LYS 39 10.372 12.340 5.711 277 HZ3 LYS 39 2HZ LYS 39 9.549 11.887 7.118 278 HA PRO 40 HA PRO 40 9.775 13.247 -1.743 279 HB2 PRO 40 1HB PRO 40 7.287 14.104 -2.410 280 HB3 PRO 40 2HB PRO 40 8.049 12.693 -3.155 281 HG2 PRO 40 1HG PRO 40 6.031 12.811 -0.947 282 HG3 PRO 40 2HG PRO 40 6.100 11.719 -2.343 283 HD2 PRO 40 1HD PRO 40 6.921 10.978 0.129 284 HD3 PRO 40 2HD PRO 40 7.669 10.351 -1.354 285 H SER 41 H SER 41 7.984 13.329 1.165 286 HA SER 41 HA SER 41 7.685 16.204 1.249 287 HB2 SER 41 1HB SER 41 5.980 14.894 2.340 288 HB3 SER 41 2HB SER 41 7.184 14.048 3.311 289 HG SER 41 HG SER 41 6.050 16.525 3.674 290 H GLY 42 H GLY 42 9.392 13.858 3.336 291 HA2 GLY 42 1HA GLY 42 11.227 14.136 4.701 292 HA3 GLY 42 2HA GLY 42 11.902 14.951 3.298 293 HA PRO 43 HA PRO 43 9.939 18.452 5.988 294 HB2 PRO 43 1HB PRO 43 8.954 17.734 8.414 295 HB3 PRO 43 2HB PRO 43 7.972 17.747 6.944 296 HG2 PRO 43 1HG PRO 43 9.309 15.442 8.309 297 HG3 PRO 43 2HG PRO 43 7.684 15.536 7.604 298 HD2 PRO 43 1HD PRO 43 9.763 14.370 6.320 299 HD3 PRO 43 2HD PRO 43 8.459 15.211 5.458 300 H SER 44 H SER 44 11.397 15.807 7.856 301 HA SER 44 HA SER 44 13.591 17.549 8.611 302 HB2 SER 44 1HB SER 44 11.657 17.656 10.369 303 HB3 SER 44 2HB SER 44 12.244 16.062 10.844 304 HG SER 44 HG SER 44 14.331 17.051 11.105 305 H SER 45 H SER 45 15.474 16.452 9.088 306 HA SER 45 HA SER 45 15.446 13.612 8.399 307 HB2 SER 45 1HB SER 45 17.854 13.850 8.074 308 HB3 SER 45 2HB SER 45 17.002 15.120 7.195 309 HG SER 45 HG SER 45 18.370 15.340 9.668 310 H GLY 46 H GLY 46 14.400 14.176 10.911 311 HA2 GLY 46 1HA GLY 46 15.576 12.361 12.571 312 HA3 GLY 46 2HA GLY 46 16.420 13.859 12.935 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -15.984 -32.243 -13.192 2 HA2 GLY 1 1HA GLY 1 -15.066 -32.036 -10.391 3 HA3 GLY 1 2HA GLY 1 -14.437 -30.996 -11.660 4 H SER 2 H SER 2 -17.239 -31.756 -9.695 5 HA SER 2 HA SER 2 -18.994 -29.819 -10.728 6 HB2 SER 2 1HB SER 2 -18.811 -31.139 -8.018 7 HB3 SER 2 2HB SER 2 -20.100 -30.013 -8.441 8 HG SER 2 HG SER 2 -19.534 -32.550 -9.537 9 H SER 3 H SER 3 -17.084 -29.682 -7.715 10 HA SER 3 HA SER 3 -17.575 -27.074 -7.011 11 HB2 SER 3 1HB SER 3 -16.211 -28.855 -5.762 12 HB3 SER 3 2HB SER 3 -14.835 -28.298 -6.714 13 HG SER 3 HG SER 3 -14.677 -26.924 -5.113 14 H GLY 4 H GLY 4 -16.607 -25.080 -7.408 15 HA2 GLY 4 1HA GLY 4 -14.479 -24.838 -9.347 16 HA3 GLY 4 2HA GLY 4 -16.047 -24.311 -9.942 17 H SER 5 H SER 5 -13.932 -23.881 -7.106 18 HA SER 5 HA SER 5 -14.329 -20.994 -7.319 19 HB2 SER 5 1HB SER 5 -14.961 -20.710 -5.031 20 HB3 SER 5 2HB SER 5 -16.023 -21.952 -5.695 21 HG SER 5 HG SER 5 -14.675 -22.198 -3.551 22 H SER 6 H SER 6 -12.418 -20.034 -7.255 23 HA SER 6 HA SER 6 -10.300 -21.182 -5.570 24 HB2 SER 6 1HB SER 6 -10.061 -21.739 -8.065 25 HB3 SER 6 2HB SER 6 -9.720 -20.024 -8.294 26 HG SER 6 HG SER 6 -8.310 -21.491 -6.354 27 H GLY 7 H GLY 7 -10.163 -19.669 -4.016 28 HA2 GLY 7 1HA GLY 7 -9.932 -17.615 -3.004 29 HA3 GLY 7 2HA GLY 7 -8.842 -17.286 -4.342 30 H THR 8 H THR 8 -12.000 -16.772 -3.019 31 HA THR 8 HA THR 8 -12.503 -14.770 -5.121 32 HB THR 8 HB THR 8 -14.937 -15.219 -4.880 33 HG1 THR 8 HG1 THR 8 -14.468 -16.378 -2.748 34 HG21 THR 8 3HG2 THR 8 -14.179 -16.241 -6.786 35 HG22 THR 8 1HG2 THR 8 -14.728 -17.657 -5.891 36 HG23 THR 8 2HG2 THR 8 -13.014 -17.241 -5.919 37 H GLY 9 H GLY 9 -12.972 -12.773 -4.415 38 HA2 GLY 9 1HA GLY 9 -13.844 -12.443 -1.622 39 HA3 GLY 9 2HA GLY 9 -12.457 -11.541 -2.215 40 H GLU 10 H GLU 10 -15.176 -10.725 -1.210 41 HA GLU 10 HA GLU 10 -16.163 -9.305 -3.584 42 HB2 GLU 10 1HB GLU 10 -17.423 -10.026 -0.953 43 HB3 GLU 10 2HB GLU 10 -18.105 -8.760 -1.963 44 HG2 GLU 10 1HG GLU 10 -18.413 -10.332 -3.778 45 HG3 GLU 10 2HG GLU 10 -17.653 -11.607 -2.827 46 H LYS 11 H LYS 11 -13.751 -8.480 -2.299 47 HA LYS 11 HA LYS 11 -14.496 -6.059 -0.839 48 HB2 LYS 11 1HB LYS 11 -12.009 -7.661 -1.140 49 HB3 LYS 11 2HB LYS 11 -11.826 -5.935 -0.856 50 HG2 LYS 11 1HG LYS 11 -11.780 -6.780 1.280 51 HG3 LYS 11 2HG LYS 11 -13.481 -6.345 1.102 52 HD2 LYS 11 1HD LYS 11 -12.648 -9.089 0.316 53 HD3 LYS 11 2HD LYS 11 -12.730 -8.709 2.038 54 HE2 LYS 11 1HE LYS 11 -15.021 -7.921 0.314 55 HE3 LYS 11 2HE LYS 11 -14.825 -9.629 0.704 56 HZ1 LYS 11 3HZ LYS 11 -14.968 -7.441 2.706 57 HZ2 LYS 11 1HZ LYS 11 -14.881 -9.098 3.036 58 HZ3 LYS 11 2HZ LYS 11 -16.256 -8.456 2.289 59 HA PRO 12 HA PRO 12 -14.174 -4.013 -4.846 60 HB2 PRO 12 1HB PRO 12 -15.322 -1.702 -4.002 61 HB3 PRO 12 2HB PRO 12 -16.258 -3.136 -4.442 62 HG2 PRO 12 1HG PRO 12 -15.463 -2.152 -1.729 63 HG3 PRO 12 2HG PRO 12 -17.021 -2.805 -2.271 64 HD2 PRO 12 1HD PRO 12 -15.221 -4.285 -0.893 65 HD3 PRO 12 2HD PRO 12 -16.304 -4.989 -2.111 66 H TYR 13 H TYR 13 -12.645 -3.474 -1.896 67 HA TYR 13 HA TYR 13 -10.841 -1.520 -3.145 68 HB2 TYR 13 1HB TYR 13 -11.703 -1.392 -0.251 69 HB3 TYR 13 2HB TYR 13 -10.677 -0.245 -1.105 70 HD1 TYR 13 HD1 TYR 13 -11.673 1.214 -2.871 71 HD2 TYR 13 HD2 TYR 13 -14.071 -1.237 -0.352 72 HE1 TYR 13 HE1 TYR 13 -13.652 2.545 -3.470 73 HE2 TYR 13 HE2 TYR 13 -16.057 0.086 -0.945 74 HH TYR 13 HH TYR 13 -15.817 3.038 -2.781 75 H GLU 14 H GLU 14 -8.963 -2.535 -3.363 76 HA GLU 14 HA GLU 14 -7.847 -3.931 -1.042 77 HB2 GLU 14 1HB GLU 14 -8.685 -5.750 -2.319 78 HB3 GLU 14 2HB GLU 14 -8.112 -5.051 -3.827 79 HG2 GLU 14 1HG GLU 14 -6.106 -5.706 -1.740 80 HG3 GLU 14 2HG GLU 14 -6.847 -7.032 -2.635 81 H CYS 15 H CYS 15 -5.692 -3.641 -0.750 82 HA CYS 15 HA CYS 15 -4.409 -1.631 -2.386 83 HB2 CYS 15 1HB CYS 15 -4.270 -1.691 0.130 84 HB3 CYS 15 2HB CYS 15 -3.254 -3.120 -0.025 85 H LYS 16 H LYS 16 -2.151 -1.920 -3.118 86 HA LYS 16 HA LYS 16 -1.736 -4.650 -4.147 87 HB2 LYS 16 1HB LYS 16 -1.008 -1.975 -5.347 88 HB3 LYS 16 2HB LYS 16 -0.435 -3.512 -5.981 89 HG2 LYS 16 1HG LYS 16 -3.337 -2.757 -5.717 90 HG3 LYS 16 2HG LYS 16 -2.384 -2.590 -7.194 91 HD2 LYS 16 1HD LYS 16 -1.900 -5.058 -7.025 92 HD3 LYS 16 2HD LYS 16 -3.102 -5.127 -5.734 93 HE2 LYS 16 1HE LYS 16 -4.813 -4.315 -7.251 94 HE3 LYS 16 2HE LYS 16 -3.620 -4.138 -8.537 95 HZ1 LYS 16 3HZ LYS 16 -5.007 -6.488 -7.641 96 HZ2 LYS 16 1HZ LYS 16 -3.338 -6.723 -7.781 97 HZ3 LYS 16 2HZ LYS 16 -4.231 -6.187 -9.114 98 H VAL 17 H VAL 17 -0.394 -2.053 -2.333 99 HA VAL 17 HA VAL 17 2.346 -2.863 -2.530 100 HB VAL 17 HB VAL 17 0.987 -1.077 -0.507 101 HG11 VAL 17 1HG1 VAL 17 3.685 -2.132 -0.664 102 HG12 VAL 17 2HG1 VAL 17 3.656 -0.368 -0.671 103 HG13 VAL 17 3HG1 VAL 17 2.888 -1.259 0.644 104 HG21 VAL 17 3HG2 VAL 17 2.781 0.198 -2.381 105 HG22 VAL 17 1HG2 VAL 17 1.476 -0.650 -3.212 106 HG23 VAL 17 2HG2 VAL 17 1.101 0.574 -1.998 107 H CYS 18 H CYS 18 -0.113 -3.104 0.038 108 HA CYS 18 HA CYS 18 1.486 -5.270 1.238 109 HB2 CYS 18 1HB CYS 18 0.363 -4.700 3.377 110 HB3 CYS 18 2HB CYS 18 1.325 -3.371 2.738 111 H SER 19 H SER 19 -0.862 -5.061 -0.816 112 HA SER 19 HA SER 19 -2.769 -6.203 -1.341 113 HB2 SER 19 1HB SER 19 -0.930 -7.994 -1.146 114 HB3 SER 19 2HB SER 19 -1.687 -8.421 0.388 115 HG SER 19 HG SER 19 -3.509 -9.024 -0.669 116 H LYS 20 H LYS 20 -2.751 -4.627 1.189 117 HA LYS 20 HA LYS 20 -4.455 -6.071 3.011 118 HB2 LYS 20 1HB LYS 20 -2.855 -4.383 3.821 119 HB3 LYS 20 2HB LYS 20 -3.720 -3.138 2.929 120 HG2 LYS 20 1HG LYS 20 -5.603 -3.295 4.334 121 HG3 LYS 20 2HG LYS 20 -5.038 -4.806 5.050 122 HD2 LYS 20 1HD LYS 20 -3.301 -2.406 5.297 123 HD3 LYS 20 2HD LYS 20 -4.759 -2.480 6.289 124 HE2 LYS 20 1HE LYS 20 -3.259 -3.501 7.686 125 HE3 LYS 20 2HE LYS 20 -3.882 -4.902 6.815 126 HZ1 LYS 20 3HZ LYS 20 -1.807 -5.349 6.234 127 HZ2 LYS 20 1HZ LYS 20 -1.236 -3.913 6.923 128 HZ3 LYS 20 2HZ LYS 20 -1.770 -3.928 5.318 129 H ALA 21 H ALA 21 -6.544 -6.382 2.660 130 HA ALA 21 HA ALA 21 -7.993 -4.611 0.847 131 HB1 ALA 21 3HB ALA 21 -9.814 -6.367 1.151 132 HB2 ALA 21 1HB ALA 21 -8.344 -6.869 0.315 133 HB3 ALA 21 2HB ALA 21 -8.596 -7.316 2.003 134 H PHE 22 H PHE 22 -9.978 -3.632 1.403 135 HA PHE 22 HA PHE 22 -10.540 -3.447 4.283 136 HB2 PHE 22 1HB PHE 22 -10.499 -1.109 2.364 137 HB3 PHE 22 2HB PHE 22 -10.901 -1.039 4.076 138 HD1 PHE 22 HD2 PHE 22 -9.175 -1.232 5.769 139 HD2 PHE 22 HD1 PHE 22 -8.219 -1.336 1.623 140 HE1 PHE 22 HE2 PHE 22 -6.806 -0.847 6.310 141 HE2 PHE 22 HE1 PHE 22 -5.848 -0.953 2.157 142 HZ PHE 22 HZ PHE 22 -5.139 -0.707 4.502 143 H THR 23 H THR 23 -12.719 -2.449 4.704 144 HA THR 23 HA THR 23 -14.649 -3.645 2.866 145 HB THR 23 HB THR 23 -14.837 -4.224 5.248 146 HG1 THR 23 HG1 THR 23 -16.850 -4.374 4.603 147 HG21 THR 23 3HG2 THR 23 -14.161 -1.653 5.771 148 HG22 THR 23 1HG2 THR 23 -14.931 -2.728 6.938 149 HG23 THR 23 2HG2 THR 23 -15.907 -1.588 6.012 150 H GLN 24 H GLN 24 -13.719 -0.541 4.209 151 HA GLN 24 HA GLN 24 -15.659 0.749 2.405 152 HB2 GLN 24 1HB GLN 24 -14.974 1.327 5.248 153 HB3 GLN 24 2HB GLN 24 -15.360 2.683 4.197 154 HG2 GLN 24 1HG GLN 24 -17.157 0.297 4.480 155 HG3 GLN 24 2HG GLN 24 -17.262 1.703 5.538 156 HE21 GLN 24 1HE2 GLN 24 -18.952 0.431 3.299 157 HE22 GLN 24 2HE2 GLN 24 -19.410 1.788 2.334 158 H LYS 25 H LYS 25 -14.901 2.290 1.064 159 HA LYS 25 HA LYS 25 -12.245 2.466 0.375 160 HB2 LYS 25 1HB LYS 25 -12.816 4.310 -0.998 161 HB3 LYS 25 2HB LYS 25 -14.255 3.301 -0.926 162 HG2 LYS 25 1HG LYS 25 -15.213 5.328 -0.587 163 HG3 LYS 25 2HG LYS 25 -14.840 4.915 1.088 164 HD2 LYS 25 1HD LYS 25 -13.954 7.016 1.021 165 HD3 LYS 25 2HD LYS 25 -12.547 6.099 0.477 166 HE2 LYS 25 1HE LYS 25 -14.492 7.032 -1.569 167 HE3 LYS 25 2HE LYS 25 -13.430 8.229 -0.831 168 HZ1 LYS 25 3HZ LYS 25 -12.537 5.745 -2.192 169 HZ2 LYS 25 1HZ LYS 25 -11.526 6.912 -1.503 170 HZ3 LYS 25 2HZ LYS 25 -12.472 7.302 -2.849 171 H ALA 26 H ALA 26 -14.018 4.359 2.749 172 HA ALA 26 HA ALA 26 -12.276 6.431 3.241 173 HB1 ALA 26 3HB ALA 26 -13.164 6.432 5.551 174 HB2 ALA 26 1HB ALA 26 -14.424 6.308 4.324 175 HB3 ALA 26 2HB ALA 26 -13.928 4.876 5.227 176 H HIS 27 H HIS 27 -12.117 3.110 4.450 177 HA HIS 27 HA HIS 27 -9.909 3.509 6.174 178 HB2 HIS 27 1HB HIS 27 -11.148 1.082 4.904 179 HB3 HIS 27 2HB HIS 27 -9.668 0.950 5.850 180 HD1 HIS 27 HD1 HIS 27 -12.343 -0.391 6.712 181 HD2 HIS 27 HD2 HIS 27 -10.973 3.286 8.078 182 HE1 HIS 27 HE1 HIS 27 -13.482 -0.028 8.924 183 H LEU 28 H LEU 28 -10.149 2.320 2.837 184 HA LEU 28 HA LEU 28 -7.412 1.802 2.466 185 HB2 LEU 28 1HB LEU 28 -9.055 0.903 0.962 186 HB3 LEU 28 2HB LEU 28 -9.574 2.521 0.495 187 HG LEU 28 HG LEU 28 -7.116 2.758 -0.353 188 HD11 LEU 28 1HD1 LEU 28 -7.229 -0.009 0.442 189 HD12 LEU 28 2HD1 LEU 28 -5.853 0.951 -0.098 190 HD13 LEU 28 3HD1 LEU 28 -6.882 0.142 -1.280 191 HD21 LEU 28 3HD2 LEU 28 -9.179 2.772 -1.725 192 HD22 LEU 28 1HD2 LEU 28 -9.083 1.014 -1.830 193 HD23 LEU 28 2HD2 LEU 28 -7.809 2.010 -2.534 194 H ALA 29 H ALA 29 -9.337 4.607 1.387 195 HA ALA 29 HA ALA 29 -7.322 6.151 0.330 196 HB1 ALA 29 3HB ALA 29 -10.014 6.578 1.231 197 HB2 ALA 29 1HB ALA 29 -9.003 7.959 1.656 198 HB3 ALA 29 2HB ALA 29 -9.106 7.424 -0.022 199 H GLN 30 H GLN 30 -8.234 5.768 3.714 200 HA GLN 30 HA GLN 30 -6.434 7.783 4.665 201 HB2 GLN 30 1HB GLN 30 -8.132 5.680 5.960 202 HB3 GLN 30 2HB GLN 30 -6.917 6.530 6.904 203 HG2 GLN 30 1HG GLN 30 -8.809 8.144 5.287 204 HG3 GLN 30 2HG GLN 30 -9.410 7.370 6.753 205 HE21 GLN 30 1HE2 GLN 30 -7.284 9.773 5.440 206 HE22 GLN 30 2HE2 GLN 30 -6.925 10.568 6.931 207 H HIS 31 H HIS 31 -6.118 4.520 3.720 208 HA HIS 31 HA HIS 31 -3.698 4.087 5.286 209 HB2 HIS 31 1HB HIS 31 -4.855 2.094 5.230 210 HB3 HIS 31 2HB HIS 31 -5.471 2.374 3.604 211 HD1 HIS 31 HD1 HIS 31 -2.106 1.638 5.232 212 HD2 HIS 31 HD2 HIS 31 -4.230 0.855 1.748 213 HE1 HIS 31 HE1 HIS 31 -0.649 0.089 3.889 214 H GLN 32 H GLN 32 -4.559 3.765 1.836 215 HA GLN 32 HA GLN 32 -2.166 3.509 0.657 216 HB2 GLN 32 1HB GLN 32 -4.289 5.454 -0.264 217 HB3 GLN 32 2HB GLN 32 -3.017 4.773 -1.268 218 HG2 GLN 32 1HG GLN 32 -5.097 3.113 0.130 219 HG3 GLN 32 2HG GLN 32 -5.268 3.715 -1.518 220 HE21 GLN 32 1HE2 GLN 32 -4.751 2.303 -3.011 221 HE22 GLN 32 2HE2 GLN 32 -3.580 1.041 -2.869 222 H LYS 33 H LYS 33 -3.491 6.605 1.781 223 HA LYS 33 HA LYS 33 -1.729 8.444 0.956 224 HB2 LYS 33 1HB LYS 33 -2.230 9.741 2.843 225 HB3 LYS 33 2HB LYS 33 -3.621 8.677 2.679 226 HG2 LYS 33 1HG LYS 33 -2.578 7.182 4.386 227 HG3 LYS 33 2HG LYS 33 -1.346 8.422 4.630 228 HD2 LYS 33 1HD LYS 33 -3.382 9.999 4.990 229 HD3 LYS 33 2HD LYS 33 -4.268 8.498 5.273 230 HE2 LYS 33 1HE LYS 33 -1.712 9.171 6.709 231 HE3 LYS 33 2HE LYS 33 -3.296 9.656 7.314 232 HZ1 LYS 33 3HZ LYS 33 -3.824 7.550 7.883 233 HZ2 LYS 33 1HZ LYS 33 -2.144 7.377 7.980 234 HZ3 LYS 33 2HZ LYS 33 -2.969 6.850 6.602 235 H THR 34 H THR 34 -1.121 6.206 3.645 236 HA THR 34 HA THR 34 1.385 7.123 4.413 237 HB THR 34 HB THR 34 1.782 4.941 5.383 238 HG1 THR 34 HG1 THR 34 0.029 3.314 4.884 239 HG21 THR 34 3HG2 THR 34 0.310 5.518 6.950 240 HG22 THR 34 1HG2 THR 34 -0.968 4.741 6.017 241 HG23 THR 34 2HG2 THR 34 -0.612 6.450 5.771 242 H HIS 35 H HIS 35 0.601 4.586 2.039 243 HA HIS 35 HA HIS 35 3.189 3.916 1.292 244 HB2 HIS 35 1HB HIS 35 0.607 3.904 -0.267 245 HB3 HIS 35 2HB HIS 35 2.114 3.283 -0.933 246 HD1 HIS 35 HD1 HIS 35 3.072 1.901 1.755 247 HD2 HIS 35 HD2 HIS 35 -0.650 1.458 -0.038 248 HE1 HIS 35 HE1 HIS 35 2.182 -0.299 2.587 249 H THR 36 H THR 36 4.696 4.764 -0.043 250 HA THR 36 HA THR 36 4.640 7.514 -0.640 251 HB THR 36 HB THR 36 6.746 6.319 -0.309 252 HG1 THR 36 HG1 THR 36 7.748 7.103 -2.385 253 HG21 THR 36 3HG2 THR 36 7.588 4.689 -1.762 254 HG22 THR 36 1HG2 THR 36 6.431 5.089 -3.031 255 HG23 THR 36 2HG2 THR 36 5.890 4.250 -1.577 256 H GLY 37 H GLY 37 3.388 8.449 -2.118 257 HA2 GLY 37 1HA GLY 37 3.478 7.544 -4.860 258 HA3 GLY 37 2HA GLY 37 1.903 7.358 -4.103 259 H GLU 38 H GLU 38 4.280 9.950 -3.662 260 HA GLU 38 HA GLU 38 2.696 11.805 -5.215 261 HB2 GLU 38 1HB GLU 38 2.131 13.299 -3.454 262 HB3 GLU 38 2HB GLU 38 1.607 11.702 -2.942 263 HG2 GLU 38 1HG GLU 38 3.300 11.511 -1.366 264 HG3 GLU 38 2HG GLU 38 4.277 12.767 -2.123 265 H LYS 39 H LYS 39 3.742 13.857 -5.517 266 HA LYS 39 HA LYS 39 6.649 13.654 -5.193 267 HB2 LYS 39 1HB LYS 39 4.849 14.992 -7.154 268 HB3 LYS 39 2HB LYS 39 6.411 15.737 -6.837 269 HG2 LYS 39 1HG LYS 39 7.525 13.639 -7.438 270 HG3 LYS 39 2HG LYS 39 5.953 12.914 -7.783 271 HD2 LYS 39 1HD LYS 39 6.592 13.576 -9.888 272 HD3 LYS 39 2HD LYS 39 5.690 14.998 -9.358 273 HE2 LYS 39 1HE LYS 39 7.976 15.846 -8.509 274 HE3 LYS 39 2HE LYS 39 8.655 14.609 -9.566 275 HZ1 LYS 39 3HZ LYS 39 6.654 16.224 -10.846 276 HZ2 LYS 39 1HZ LYS 39 8.212 15.819 -11.367 277 HZ3 LYS 39 2HZ LYS 39 7.985 17.124 -10.316 278 HA PRO 40 HA PRO 40 6.713 16.821 -2.135 279 HB2 PRO 40 1HB PRO 40 9.269 17.676 -2.460 280 HB3 PRO 40 2HB PRO 40 8.861 16.138 -1.690 281 HG2 PRO 40 1HG PRO 40 9.753 16.674 -4.497 282 HG3 PRO 40 2HG PRO 40 10.257 15.383 -3.390 283 HD2 PRO 40 1HD PRO 40 8.446 14.985 -5.363 284 HD3 PRO 40 2HD PRO 40 8.383 14.111 -3.820 285 H SER 41 H SER 41 7.499 19.180 -1.925 286 HA SER 41 HA SER 41 6.591 20.617 -4.318 287 HB2 SER 41 1HB SER 41 5.438 20.906 -2.047 288 HB3 SER 41 2HB SER 41 6.882 21.791 -1.554 289 HG SER 41 HG SER 41 5.902 23.425 -2.441 290 H GLY 42 H GLY 42 7.565 22.973 -4.345 291 HA2 GLY 42 1HA GLY 42 10.389 22.618 -4.786 292 HA3 GLY 42 2HA GLY 42 9.458 24.075 -5.098 293 HA PRO 43 HA PRO 43 12.217 24.926 -1.489 294 HB2 PRO 43 1HB PRO 43 12.952 27.396 -2.345 295 HB3 PRO 43 2HB PRO 43 13.779 25.918 -2.852 296 HG2 PRO 43 1HG PRO 43 11.698 27.513 -4.296 297 HG3 PRO 43 2HG PRO 43 13.184 26.781 -4.927 298 HD2 PRO 43 1HD PRO 43 10.749 25.642 -5.248 299 HD3 PRO 43 2HD PRO 43 12.236 24.686 -5.082 300 H SER 44 H SER 44 9.815 26.933 -3.133 301 HA SER 44 HA SER 44 9.003 27.988 -0.503 302 HB2 SER 44 1HB SER 44 9.226 29.374 -3.162 303 HB3 SER 44 2HB SER 44 8.111 29.968 -1.932 304 HG SER 44 HG SER 44 10.141 29.778 -0.539 305 H SER 45 H SER 45 6.709 28.596 -0.361 306 HA SER 45 HA SER 45 5.027 26.496 -1.138 307 HB2 SER 45 1HB SER 45 3.281 27.675 -0.081 308 HB3 SER 45 2HB SER 45 4.731 28.190 0.781 309 HG SER 45 HG SER 45 4.338 30.147 0.155 310 H GLY 46 H GLY 46 3.879 26.100 -2.924 311 HA2 GLY 46 1HA GLY 46 2.555 27.858 -4.560 312 HA3 GLY 46 2HA GLY 46 4.185 27.792 -5.215
Contact the webmaster for help, if required. Friday, May 17, 2024 10:26:06 PM GMT (wattos1)