NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504885 | 2enc | 10172 | 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 6.190 -17.248 -5.381 2 HA2 GLY 1 1HA GLY 1 5.152 -19.234 -6.964 3 HA3 GLY 1 2HA GLY 1 6.744 -19.823 -6.507 4 H SER 2 H SER 2 7.115 -19.286 -3.984 5 HA SER 2 HA SER 2 4.729 -19.861 -2.428 6 HB2 SER 2 1HB SER 2 5.897 -22.048 -3.317 7 HB3 SER 2 2HB SER 2 7.042 -21.720 -2.017 8 HG SER 2 HG SER 2 5.496 -22.046 -0.544 9 H SER 3 H SER 3 5.280 -19.984 -0.047 10 HA SER 3 HA SER 3 7.752 -18.731 0.765 11 HB2 SER 3 1HB SER 3 6.824 -16.729 1.678 12 HB3 SER 3 2HB SER 3 6.234 -16.840 0.020 13 HG SER 3 HG SER 3 4.429 -18.074 1.333 14 H GLY 4 H GLY 4 7.804 -18.410 3.176 15 HA2 GLY 4 1HA GLY 4 5.939 -20.188 4.591 16 HA3 GLY 4 2HA GLY 4 7.665 -20.491 4.715 17 H SER 5 H SER 5 8.776 -18.081 5.055 18 HA SER 5 HA SER 5 7.938 -17.406 7.731 19 HB2 SER 5 1HB SER 5 10.266 -16.696 5.984 20 HB3 SER 5 2HB SER 5 9.918 -15.702 7.399 21 HG SER 5 HG SER 5 11.386 -17.554 7.699 22 H SER 6 H SER 6 5.881 -16.751 6.120 23 HA SER 6 HA SER 6 5.642 -13.922 6.562 24 HB2 SER 6 1HB SER 6 5.798 -15.029 3.764 25 HB3 SER 6 2HB SER 6 4.925 -13.538 4.117 26 HG SER 6 HG SER 6 7.122 -13.181 3.513 27 H GLY 7 H GLY 7 3.470 -13.160 6.348 28 HA2 GLY 7 1HA GLY 7 1.518 -15.353 6.532 29 HA3 GLY 7 2HA GLY 7 1.319 -13.748 7.220 30 H SER 8 H SER 8 1.327 -11.946 5.507 31 HA SER 8 HA SER 8 -0.906 -12.110 3.943 32 HB2 SER 8 1HB SER 8 0.496 -10.045 4.516 33 HB3 SER 8 2HB SER 8 1.475 -10.455 3.108 34 HG SER 8 HG SER 8 -0.771 -10.527 2.062 35 H GLY 9 H GLY 9 -1.327 -13.643 2.482 36 HA2 GLY 9 1HA GLY 9 0.708 -14.858 0.872 37 HA3 GLY 9 2HA GLY 9 -1.022 -15.141 0.753 38 H GLU 10 H GLU 10 -2.308 -13.593 -0.449 39 HA GLU 10 HA GLU 10 -0.745 -12.031 -2.391 40 HB2 GLU 10 1HB GLU 10 -1.455 -14.130 -3.445 41 HB3 GLU 10 2HB GLU 10 -3.125 -13.789 -3.013 42 HG2 GLU 10 1HG GLU 10 -2.937 -13.207 -5.269 43 HG3 GLU 10 2HG GLU 10 -2.906 -11.678 -4.393 44 H LYS 11 H LYS 11 -1.834 -10.229 -3.318 45 HA LYS 11 HA LYS 11 -4.346 -9.433 -2.039 46 HB2 LYS 11 1HB LYS 11 -1.716 -8.048 -1.835 47 HB3 LYS 11 2HB LYS 11 -3.156 -7.051 -1.998 48 HG2 LYS 11 1HG LYS 11 -4.061 -7.832 0.018 49 HG3 LYS 11 2HG LYS 11 -2.945 -9.198 0.086 50 HD2 LYS 11 1HD LYS 11 -1.081 -7.679 0.461 51 HD3 LYS 11 2HD LYS 11 -2.164 -6.291 0.327 52 HE2 LYS 11 1HE LYS 11 -3.425 -7.152 2.281 53 HE3 LYS 11 2HE LYS 11 -2.237 -8.444 2.440 54 HZ1 LYS 11 3HZ LYS 11 -1.573 -5.554 2.559 55 HZ2 LYS 11 1HZ LYS 11 -0.536 -6.850 2.885 56 HZ3 LYS 11 2HZ LYS 11 -1.832 -6.524 3.920 57 HA PRO 12 HA PRO 12 -5.495 -7.920 -5.994 58 HB2 PRO 12 1HB PRO 12 -6.966 -5.727 -5.362 59 HB3 PRO 12 2HB PRO 12 -7.534 -7.378 -5.083 60 HG2 PRO 12 1HG PRO 12 -6.306 -5.447 -3.154 61 HG3 PRO 12 2HG PRO 12 -7.696 -6.524 -2.926 62 HD2 PRO 12 1HD PRO 12 -5.226 -7.113 -1.984 63 HD3 PRO 12 2HD PRO 12 -6.364 -8.363 -2.527 64 H PHE 13 H PHE 13 -3.569 -6.008 -3.907 65 HA PHE 13 HA PHE 13 -2.358 -4.663 -6.147 66 HB2 PHE 13 1HB PHE 13 -3.742 -3.038 -4.002 67 HB3 PHE 13 2HB PHE 13 -2.691 -2.383 -5.253 68 HD1 PHE 13 HD2 PHE 13 -5.903 -4.105 -4.655 69 HD2 PHE 13 HD1 PHE 13 -3.503 -1.926 -7.413 70 HE1 PHE 13 HE2 PHE 13 -7.839 -3.882 -6.156 71 HE2 PHE 13 HE1 PHE 13 -5.436 -1.698 -8.919 72 HZ PHE 13 HZ PHE 13 -7.607 -2.677 -8.292 73 H LYS 14 H LYS 14 -0.275 -4.967 -5.763 74 HA LYS 14 HA LYS 14 0.758 -4.422 -3.066 75 HB2 LYS 14 1HB LYS 14 2.449 -6.335 -3.666 76 HB3 LYS 14 2HB LYS 14 0.877 -6.723 -2.980 77 HG2 LYS 14 1HG LYS 14 0.012 -7.269 -5.166 78 HG3 LYS 14 2HG LYS 14 1.528 -6.770 -5.920 79 HD2 LYS 14 1HD LYS 14 2.536 -8.549 -4.245 80 HD3 LYS 14 2HD LYS 14 0.901 -9.209 -4.331 81 HE2 LYS 14 1HE LYS 14 1.245 -8.955 -6.906 82 HE3 LYS 14 2HE LYS 14 2.956 -8.931 -6.484 83 HZ1 LYS 14 3HZ LYS 14 1.243 -11.060 -5.405 84 HZ2 LYS 14 1HZ LYS 14 2.899 -11.085 -5.748 85 HZ3 LYS 14 2HZ LYS 14 1.774 -11.165 -7.008 86 H CYS 15 H CYS 15 3.062 -3.918 -3.019 87 HA CYS 15 HA CYS 15 3.777 -2.072 -5.040 88 HB2 CYS 15 1HB CYS 15 4.491 -1.936 -2.645 89 HB3 CYS 15 2HB CYS 15 5.580 -3.287 -2.939 90 H GLU 16 H GLU 16 5.456 -2.140 -6.561 91 HA GLU 16 HA GLU 16 5.998 -4.818 -7.579 92 HB2 GLU 16 1HB GLU 16 6.274 -3.875 -9.648 93 HB3 GLU 16 2HB GLU 16 5.209 -2.680 -8.923 94 HG2 GLU 16 1HG GLU 16 7.060 -1.229 -8.454 95 HG3 GLU 16 2HG GLU 16 8.207 -2.455 -8.992 96 H GLU 17 H GLU 17 7.559 -2.286 -5.877 97 HA GLU 17 HA GLU 17 10.242 -2.941 -6.640 98 HB2 GLU 17 1HB GLU 17 9.046 -1.239 -4.466 99 HB3 GLU 17 2HB GLU 17 10.776 -1.537 -4.549 100 HG2 GLU 17 1HG GLU 17 9.232 -0.423 -6.866 101 HG3 GLU 17 2HG GLU 17 9.918 0.600 -5.605 102 H CYS 18 H CYS 18 8.522 -3.270 -3.529 103 HA CYS 18 HA CYS 18 10.358 -5.448 -2.824 104 HB2 CYS 18 1HB CYS 18 9.456 -5.107 -0.504 105 HB3 CYS 18 2HB CYS 18 10.312 -3.718 -1.165 106 H GLY 19 H GLY 19 6.893 -4.625 -2.695 107 HA2 GLY 19 1HA GLY 19 5.442 -6.400 -3.728 108 HA3 GLY 19 2HA GLY 19 6.319 -7.524 -2.701 109 H LYS 20 H LYS 20 5.670 -4.449 -1.343 110 HA LYS 20 HA LYS 20 4.376 -5.330 0.900 111 HB2 LYS 20 1HB LYS 20 5.205 -2.936 0.149 112 HB3 LYS 20 2HB LYS 20 3.511 -2.720 -0.271 113 HG2 LYS 20 1HG LYS 20 2.810 -2.965 1.948 114 HG3 LYS 20 2HG LYS 20 4.348 -3.674 2.445 115 HD2 LYS 20 1HD LYS 20 5.468 -1.588 2.258 116 HD3 LYS 20 2HD LYS 20 4.095 -0.850 1.430 117 HE2 LYS 20 1HE LYS 20 3.968 -1.901 4.250 118 HE3 LYS 20 2HE LYS 20 4.365 -0.229 3.855 119 HZ1 LYS 20 3HZ LYS 20 1.886 -1.499 2.867 120 HZ2 LYS 20 1HZ LYS 20 2.245 0.149 3.004 121 HZ3 LYS 20 2HZ LYS 20 1.955 -0.773 4.393 122 H GLY 21 H GLY 21 2.082 -4.908 1.577 123 HA2 GLY 21 1HA GLY 21 0.275 -5.829 -0.565 124 HA3 GLY 21 2HA GLY 21 0.067 -6.183 1.144 125 H PHE 22 H PHE 22 -1.657 -4.842 -0.947 126 HA PHE 22 HA PHE 22 -2.520 -2.657 0.771 127 HB2 PHE 22 1HB PHE 22 -2.072 -2.198 -2.182 128 HB3 PHE 22 2HB PHE 22 -2.593 -1.013 -0.989 129 HD1 PHE 22 HD1 PHE 22 -0.975 -0.377 0.852 130 HD2 PHE 22 HD2 PHE 22 0.192 -2.544 -2.621 131 HE1 PHE 22 HE1 PHE 22 1.369 0.255 1.250 132 HE2 PHE 22 HE2 PHE 22 2.539 -1.917 -2.228 133 HZ PHE 22 HZ PHE 22 3.130 -0.516 -0.290 134 H TYR 23 H TYR 23 -4.643 -1.729 -0.055 135 HA TYR 23 HA TYR 23 -6.254 -3.904 -1.220 136 HB2 TYR 23 1HB TYR 23 -7.048 -1.837 0.840 137 HB3 TYR 23 2HB TYR 23 -8.154 -2.990 0.102 138 HD1 TYR 23 HD1 TYR 23 -6.520 -5.447 0.100 139 HD2 TYR 23 HD2 TYR 23 -6.975 -2.452 3.087 140 HE1 TYR 23 HE1 TYR 23 -5.959 -7.099 1.834 141 HE2 TYR 23 HE2 TYR 23 -6.413 -4.095 4.829 142 HH TYR 23 HH TYR 23 -6.445 -7.361 4.353 143 H THR 24 H THR 24 -5.536 -0.494 -1.213 144 HA THR 24 HA THR 24 -7.308 -0.157 -3.546 145 HB THR 24 HB THR 24 -7.541 2.220 -2.938 146 HG1 THR 24 HG1 THR 24 -6.362 1.571 -0.439 147 HG21 THR 24 3HG2 THR 24 -8.909 1.864 -0.843 148 HG22 THR 24 1HG2 THR 24 -8.347 0.193 -0.858 149 HG23 THR 24 2HG2 THR 24 -9.310 0.812 -2.200 150 H ASN 25 H ASN 25 -6.434 0.666 -5.365 151 HA ASN 25 HA ASN 25 -3.780 0.566 -5.948 152 HB2 ASN 25 1HB ASN 25 -5.462 0.830 -7.680 153 HB3 ASN 25 2HB ASN 25 -5.831 2.458 -7.118 154 HD21 ASN 25 1HD2 ASN 25 -4.336 0.830 -9.469 155 HD22 ASN 25 2HD2 ASN 25 -3.109 1.964 -9.907 156 H SER 26 H SER 26 -5.517 3.589 -5.186 157 HA SER 26 HA SER 26 -3.511 5.399 -5.201 158 HB2 SER 26 1HB SER 26 -5.818 5.989 -4.633 159 HB3 SER 26 2HB SER 26 -5.657 5.177 -3.076 160 HG SER 26 HG SER 26 -3.724 6.761 -2.953 161 H GLN 27 H GLN 27 -4.275 3.262 -2.463 162 HA GLN 27 HA GLN 27 -2.271 4.151 -0.733 163 HB2 GLN 27 1HB GLN 27 -3.902 1.678 -0.985 164 HB3 GLN 27 2HB GLN 27 -2.475 1.600 0.039 165 HG2 GLN 27 1HG GLN 27 -3.334 3.586 1.270 166 HG3 GLN 27 2HG GLN 27 -4.816 3.464 0.324 167 HE21 GLN 27 1HE2 GLN 27 -6.390 2.525 1.387 168 HE22 GLN 27 2HE2 GLN 27 -6.232 1.244 2.534 169 H CYS 28 H CYS 28 -2.226 1.278 -2.849 170 HA CYS 28 HA CYS 28 0.270 0.326 -2.436 171 HB2 CYS 28 1HB CYS 28 -1.190 -0.754 -4.009 172 HB3 CYS 28 2HB CYS 28 -1.168 0.647 -5.073 173 HG CYS 28 HG CYS 28 1.846 0.141 -5.145 174 H TYR 29 H TYR 29 -0.517 2.962 -4.695 175 HA TYR 29 HA TYR 29 2.098 3.485 -5.539 176 HB2 TYR 29 1HB TYR 29 -0.181 4.377 -6.430 177 HB3 TYR 29 2HB TYR 29 0.060 5.673 -5.263 178 HD1 TYR 29 HD2 TYR 29 2.864 6.284 -5.403 179 HD2 TYR 29 HD1 TYR 29 0.214 5.202 -8.551 180 HE1 TYR 29 HE2 TYR 29 4.299 7.469 -7.011 181 HE2 TYR 29 HE1 TYR 29 1.642 6.383 -10.167 182 HH TYR 29 HH TYR 29 4.213 7.031 -10.222 183 H SER 30 H SER 30 0.180 5.130 -3.025 184 HA SER 30 HA SER 30 1.805 7.042 -2.106 185 HB2 SER 30 1HB SER 30 -0.370 6.274 -1.064 186 HB3 SER 30 2HB SER 30 0.563 5.055 -0.196 187 HG SER 30 HG SER 30 0.123 7.411 0.654 188 H HIS 31 H HIS 31 2.118 3.648 -1.058 189 HA HIS 31 HA HIS 31 4.513 4.056 0.388 190 HB2 HIS 31 1HB HIS 31 3.493 2.112 1.059 191 HB3 HIS 31 2HB HIS 31 2.975 1.694 -0.571 192 HD1 HIS 31 HD1 HIS 31 5.600 1.044 1.907 193 HD2 HIS 31 HD2 HIS 31 5.061 0.501 -2.177 194 HE1 HIS 31 HE1 HIS 31 7.379 -0.589 1.205 195 H GLN 32 H GLN 32 3.890 2.786 -2.871 196 HA GLN 32 HA GLN 32 6.354 2.025 -3.698 197 HB2 GLN 32 1HB GLN 32 4.078 3.351 -5.080 198 HB3 GLN 32 2HB GLN 32 5.605 3.258 -5.946 199 HG2 GLN 32 1HG GLN 32 5.535 0.753 -5.317 200 HG3 GLN 32 2HG GLN 32 3.823 1.048 -5.020 201 HE21 GLN 32 1HE2 GLN 32 6.361 1.229 -7.444 202 HE22 GLN 32 2HE2 GLN 32 5.319 1.090 -8.815 203 H ARG 33 H ARG 33 5.230 5.327 -3.262 204 HA ARG 33 HA ARG 33 7.174 6.780 -4.541 205 HB2 ARG 33 1HB ARG 33 6.024 7.412 -1.817 206 HB3 ARG 33 2HB ARG 33 6.750 8.560 -2.933 207 HG2 ARG 33 1HG ARG 33 4.439 6.959 -3.886 208 HG3 ARG 33 2HG ARG 33 4.139 8.267 -2.740 209 HD2 ARG 33 1HD ARG 33 5.466 9.758 -4.287 210 HD3 ARG 33 2HD ARG 33 5.411 8.444 -5.462 211 HE ARG 33 HE ARG 33 2.814 8.784 -4.838 212 HH11 ARG 33 1HH1 ARG 33 5.321 11.003 -5.792 213 HH12 ARG 33 2HH1 ARG 33 4.233 12.100 -6.575 214 HH21 ARG 33 1HH2 ARG 33 1.371 10.221 -5.867 215 HH22 ARG 33 2HH2 ARG 33 1.986 11.655 -6.617 216 H SER 34 H SER 34 7.320 5.540 -1.205 217 HA SER 34 HA SER 34 9.680 6.460 -0.301 218 HB2 SER 34 1HB SER 34 9.886 4.504 1.063 219 HB3 SER 34 2HB SER 34 8.160 4.788 0.839 220 HG SER 34 HG SER 34 8.026 3.074 -0.472 221 H HIS 35 H HIS 35 9.262 4.017 -2.786 222 HA HIS 35 HA HIS 35 12.070 3.402 -2.951 223 HB2 HIS 35 1HB HIS 35 9.776 2.710 -4.797 224 HB3 HIS 35 2HB HIS 35 11.412 2.074 -4.941 225 HD1 HIS 35 HD1 HIS 35 12.230 0.691 -2.711 226 HD2 HIS 35 HD2 HIS 35 8.142 1.184 -3.268 227 HE1 HIS 35 HE1 HIS 35 11.139 -1.055 -1.267 228 H SER 36 H SER 36 11.879 6.093 -3.134 229 HA SER 36 HA SER 36 13.075 6.607 -5.686 230 HB2 SER 36 1HB SER 36 11.513 8.089 -6.625 231 HB3 SER 36 2HB SER 36 10.516 6.760 -6.034 232 HG SER 36 HG SER 36 9.632 8.054 -4.623 233 H GLY 37 H GLY 37 14.675 7.997 -5.339 234 HA2 GLY 37 1HA GLY 37 14.311 10.107 -3.322 235 HA3 GLY 37 2HA GLY 37 15.712 9.051 -3.216 236 H GLU 38 H GLU 38 16.618 8.827 -5.721 237 HA GLU 38 HA GLU 38 17.722 11.438 -6.203 238 HB2 GLU 38 1HB GLU 38 18.884 10.173 -8.120 239 HB3 GLU 38 2HB GLU 38 19.283 9.719 -6.470 240 HG2 GLU 38 1HG GLU 38 17.946 7.765 -6.591 241 HG3 GLU 38 2HG GLU 38 17.229 8.275 -8.118 242 H LYS 39 H LYS 39 15.551 12.362 -6.710 243 HA LYS 39 HA LYS 39 15.242 12.520 -9.575 244 HB2 LYS 39 1HB LYS 39 13.163 11.264 -7.815 245 HB3 LYS 39 2HB LYS 39 12.678 12.154 -9.253 246 HG2 LYS 39 1HG LYS 39 14.317 10.648 -10.513 247 HG3 LYS 39 2HG LYS 39 14.300 9.642 -9.062 248 HD2 LYS 39 1HD LYS 39 12.013 9.163 -9.290 249 HD3 LYS 39 2HD LYS 39 11.761 10.491 -10.425 250 HE2 LYS 39 1HE LYS 39 11.777 8.699 -11.858 251 HE3 LYS 39 2HE LYS 39 13.479 9.156 -11.886 252 HZ1 LYS 39 3HZ LYS 39 13.880 7.451 -10.175 253 HZ2 LYS 39 1HZ LYS 39 13.290 6.795 -11.619 254 HZ3 LYS 39 2HZ LYS 39 12.262 6.970 -10.287 255 HA PRO 40 HA PRO 40 14.320 16.677 -8.445 256 HB2 PRO 40 1HB PRO 40 13.207 17.506 -10.779 257 HB3 PRO 40 2HB PRO 40 14.943 17.235 -10.585 258 HG2 PRO 40 1HG PRO 40 12.870 15.446 -11.796 259 HG3 PRO 40 2HG PRO 40 14.507 15.811 -12.371 260 HD2 PRO 40 1HD PRO 40 13.905 13.531 -11.040 261 HD3 PRO 40 2HD PRO 40 15.488 14.324 -10.909 262 H SER 41 H SER 41 12.598 18.002 -7.849 263 HA SER 41 HA SER 41 9.936 16.745 -8.002 264 HB2 SER 41 1HB SER 41 9.422 17.764 -5.842 265 HB3 SER 41 2HB SER 41 10.879 16.779 -5.711 266 HG SER 41 HG SER 41 10.831 19.051 -4.803 267 H GLY 42 H GLY 42 8.691 17.794 -9.402 268 HA2 GLY 42 1HA GLY 42 9.053 20.697 -9.723 269 HA3 GLY 42 2HA GLY 42 8.299 19.629 -10.897 270 HA PRO 43 HA PRO 43 4.377 20.919 -9.408 271 HB2 PRO 43 1HB PRO 43 2.875 18.783 -10.152 272 HB3 PRO 43 2HB PRO 43 3.501 19.966 -11.307 273 HG2 PRO 43 1HG PRO 43 4.569 17.260 -10.601 274 HG3 PRO 43 2HG PRO 43 4.402 18.016 -12.196 275 HD2 PRO 43 1HD PRO 43 6.760 17.921 -10.869 276 HD3 PRO 43 2HD PRO 43 6.324 19.263 -11.946 277 H SER 44 H SER 44 6.066 18.289 -8.125 278 HA SER 44 HA SER 44 4.591 18.419 -5.661 279 HB2 SER 44 1HB SER 44 3.836 16.160 -5.551 280 HB3 SER 44 2HB SER 44 3.294 16.783 -7.110 281 HG SER 44 HG SER 44 4.818 15.602 -8.128 282 H SER 45 H SER 45 5.782 17.725 -3.920 283 HA SER 45 HA SER 45 8.360 16.429 -4.463 284 HB2 SER 45 1HB SER 45 9.496 17.980 -2.929 285 HB3 SER 45 2HB SER 45 8.781 18.847 -4.288 286 HG SER 45 HG SER 45 8.450 19.609 -1.968 287 H GLY 46 H GLY 46 8.976 14.936 -2.983 288 HA2 GLY 46 1HA GLY 46 7.081 13.861 -1.214 289 HA3 GLY 46 2HA GLY 46 8.793 13.466 -1.231 Start of MODEL 2 1 H1 GLY 1 H GLY 1 14.250 -24.124 -2.888 2 HA2 GLY 1 1HA GLY 1 16.953 -24.158 -2.109 3 HA3 GLY 1 2HA GLY 1 16.778 -23.052 -3.464 4 H SER 2 H SER 2 15.627 -21.133 -3.203 5 HA SER 2 HA SER 2 15.807 -19.910 -0.696 6 HB2 SER 2 1HB SER 2 15.685 -18.788 -2.984 7 HB3 SER 2 2HB SER 2 13.938 -19.008 -2.890 8 HG SER 2 HG SER 2 14.056 -17.148 -1.893 9 H SER 3 H SER 3 14.755 -20.913 0.955 10 HA SER 3 HA SER 3 11.899 -21.484 0.670 11 HB2 SER 3 1HB SER 3 13.603 -23.143 1.669 12 HB3 SER 3 2HB SER 3 13.571 -22.109 3.097 13 HG SER 3 HG SER 3 11.206 -23.129 1.935 14 H GLY 4 H GLY 4 12.538 -18.780 0.698 15 HA2 GLY 4 1HA GLY 4 12.288 -17.700 3.348 16 HA3 GLY 4 2HA GLY 4 12.202 -16.799 1.842 17 H SER 5 H SER 5 10.278 -19.324 3.473 18 HA SER 5 HA SER 5 7.839 -18.039 2.533 19 HB2 SER 5 1HB SER 5 6.697 -20.036 3.370 20 HB3 SER 5 2HB SER 5 8.061 -20.494 2.349 21 HG SER 5 HG SER 5 7.634 -20.948 5.019 22 H SER 6 H SER 6 7.963 -16.142 3.828 23 HA SER 6 HA SER 6 7.915 -16.389 6.708 24 HB2 SER 6 1HB SER 6 7.670 -14.018 4.850 25 HB3 SER 6 2HB SER 6 7.581 -13.883 6.606 26 HG SER 6 HG SER 6 9.722 -13.631 5.438 27 H GLY 7 H GLY 7 5.647 -15.479 4.136 28 HA2 GLY 7 1HA GLY 7 3.410 -16.502 5.560 29 HA3 GLY 7 2HA GLY 7 3.463 -14.749 5.681 30 H SER 8 H SER 8 1.789 -16.918 4.190 31 HA SER 8 HA SER 8 2.023 -15.877 1.468 32 HB2 SER 8 1HB SER 8 0.381 -17.675 0.910 33 HB3 SER 8 2HB SER 8 1.865 -18.288 1.641 34 HG SER 8 HG SER 8 0.234 -19.287 2.710 35 H GLY 9 H GLY 9 0.009 -15.316 0.301 36 HA2 GLY 9 1HA GLY 9 -2.463 -14.819 0.947 37 HA3 GLY 9 2HA GLY 9 -1.696 -13.682 2.047 38 H GLU 10 H GLU 10 -2.066 -14.528 -1.366 39 HA GLU 10 HA GLU 10 -0.823 -12.260 -2.449 40 HB2 GLU 10 1HB GLU 10 -1.563 -14.394 -3.646 41 HB3 GLU 10 2HB GLU 10 -3.166 -13.675 -3.708 42 HG2 GLU 10 1HG GLU 10 -2.330 -13.074 -5.748 43 HG3 GLU 10 2HG GLU 10 -1.916 -11.659 -4.782 44 H LYS 11 H LYS 11 -1.616 -10.290 -3.170 45 HA LYS 11 HA LYS 11 -4.274 -9.535 -2.143 46 HB2 LYS 11 1HB LYS 11 -1.636 -8.154 -1.935 47 HB3 LYS 11 2HB LYS 11 -3.084 -7.168 -2.086 48 HG2 LYS 11 1HG LYS 11 -3.969 -7.955 -0.066 49 HG3 LYS 11 2HG LYS 11 -2.851 -9.319 -0.011 50 HD2 LYS 11 1HD LYS 11 -0.982 -7.754 0.305 51 HD3 LYS 11 2HD LYS 11 -2.120 -6.405 0.286 52 HE2 LYS 11 1HE LYS 11 -1.950 -6.716 2.538 53 HE3 LYS 11 2HE LYS 11 -3.275 -7.829 2.195 54 HZ1 LYS 11 3HZ LYS 11 -2.045 -9.557 2.811 55 HZ2 LYS 11 1HZ LYS 11 -0.938 -8.451 3.455 56 HZ3 LYS 11 2HZ LYS 11 -0.713 -9.062 1.894 57 HA PRO 12 HA PRO 12 -5.333 -8.072 -6.142 58 HB2 PRO 12 1HB PRO 12 -6.822 -5.877 -5.563 59 HB3 PRO 12 2HB PRO 12 -7.393 -7.526 -5.284 60 HG2 PRO 12 1HG PRO 12 -6.213 -5.575 -3.343 61 HG3 PRO 12 2HG PRO 12 -7.606 -6.654 -3.139 62 HD2 PRO 12 1HD PRO 12 -5.158 -7.229 -2.135 63 HD3 PRO 12 2HD PRO 12 -6.281 -8.486 -2.692 64 H PHE 13 H PHE 13 -3.620 -5.984 -3.969 65 HA PHE 13 HA PHE 13 -2.335 -4.678 -6.225 66 HB2 PHE 13 1HB PHE 13 -3.749 -3.118 -4.053 67 HB3 PHE 13 2HB PHE 13 -2.660 -2.417 -5.246 68 HD1 PHE 13 HD2 PHE 13 -5.849 -4.270 -4.879 69 HD2 PHE 13 HD1 PHE 13 -3.445 -1.766 -7.343 70 HE1 PHE 13 HE2 PHE 13 -7.738 -3.988 -6.430 71 HE2 PHE 13 HE1 PHE 13 -5.331 -1.479 -8.897 72 HZ PHE 13 HZ PHE 13 -7.481 -2.592 -8.442 73 H LYS 14 H LYS 14 -0.257 -5.040 -5.850 74 HA LYS 14 HA LYS 14 0.792 -4.527 -3.151 75 HB2 LYS 14 1HB LYS 14 2.421 -6.417 -3.570 76 HB3 LYS 14 2HB LYS 14 0.754 -6.897 -3.281 77 HG2 LYS 14 1HG LYS 14 0.425 -7.149 -5.704 78 HG3 LYS 14 2HG LYS 14 2.119 -6.724 -5.960 79 HD2 LYS 14 1HD LYS 14 1.467 -8.948 -4.087 80 HD3 LYS 14 2HD LYS 14 1.348 -9.240 -5.824 81 HE2 LYS 14 1HE LYS 14 3.714 -8.164 -5.895 82 HE3 LYS 14 2HE LYS 14 3.747 -8.548 -4.175 83 HZ1 LYS 14 3HZ LYS 14 4.555 -10.238 -6.033 84 HZ2 LYS 14 1HZ LYS 14 2.924 -10.684 -5.976 85 HZ3 LYS 14 2HZ LYS 14 3.869 -10.753 -4.575 86 H CYS 15 H CYS 15 3.145 -4.109 -3.130 87 HA CYS 15 HA CYS 15 3.830 -2.216 -5.154 88 HB2 CYS 15 1HB CYS 15 4.489 -1.962 -2.776 89 HB3 CYS 15 2HB CYS 15 5.557 -3.352 -2.944 90 H GLU 16 H GLU 16 5.675 -2.267 -6.536 91 HA GLU 16 HA GLU 16 6.210 -4.945 -7.562 92 HB2 GLU 16 1HB GLU 16 6.641 -3.981 -9.594 93 HB3 GLU 16 2HB GLU 16 5.563 -2.767 -8.921 94 HG2 GLU 16 1HG GLU 16 7.691 -1.612 -8.092 95 HG3 GLU 16 2HG GLU 16 8.540 -2.672 -9.215 96 H GLU 17 H GLU 17 7.782 -2.342 -5.895 97 HA GLU 17 HA GLU 17 10.464 -3.118 -6.439 98 HB2 GLU 17 1HB GLU 17 9.189 -1.368 -4.350 99 HB3 GLU 17 2HB GLU 17 10.913 -1.714 -4.326 100 HG2 GLU 17 1HG GLU 17 9.557 -0.591 -6.751 101 HG3 GLU 17 2HG GLU 17 10.155 0.437 -5.450 102 H CYS 18 H CYS 18 8.599 -3.349 -3.403 103 HA CYS 18 HA CYS 18 10.313 -5.594 -2.605 104 HB2 CYS 18 1HB CYS 18 9.259 -5.186 -0.330 105 HB3 CYS 18 2HB CYS 18 10.301 -3.903 -0.938 106 H GLY 19 H GLY 19 6.877 -4.635 -2.537 107 HA2 GLY 19 1HA GLY 19 5.354 -6.309 -3.611 108 HA3 GLY 19 2HA GLY 19 6.197 -7.509 -2.642 109 H LYS 20 H LYS 20 5.496 -4.381 -1.312 110 HA LYS 20 HA LYS 20 4.281 -5.291 0.984 111 HB2 LYS 20 1HB LYS 20 5.051 -2.878 0.177 112 HB3 LYS 20 2HB LYS 20 3.333 -2.703 -0.153 113 HG2 LYS 20 1HG LYS 20 3.376 -1.926 1.976 114 HG3 LYS 20 2HG LYS 20 3.138 -3.642 2.314 115 HD2 LYS 20 1HD LYS 20 5.913 -2.565 2.084 116 HD3 LYS 20 2HD LYS 20 4.996 -2.286 3.567 117 HE2 LYS 20 1HE LYS 20 4.532 -4.856 3.402 118 HE3 LYS 20 2HE LYS 20 5.972 -4.849 2.386 119 HZ1 LYS 20 3HZ LYS 20 5.716 -4.281 5.249 120 HZ2 LYS 20 1HZ LYS 20 6.929 -3.483 4.381 121 HZ3 LYS 20 2HZ LYS 20 6.896 -5.173 4.429 122 H GLY 21 H GLY 21 2.024 -5.048 1.709 123 HA2 GLY 21 1HA GLY 21 0.187 -5.924 -0.422 124 HA3 GLY 21 2HA GLY 21 0.025 -6.328 1.280 125 H PHE 22 H PHE 22 -1.686 -4.890 -0.835 126 HA PHE 22 HA PHE 22 -2.668 -2.861 1.003 127 HB2 PHE 22 1HB PHE 22 -2.034 -2.172 -1.873 128 HB3 PHE 22 2HB PHE 22 -2.711 -1.093 -0.658 129 HD1 PHE 22 HD1 PHE 22 -1.234 -0.858 1.524 130 HD2 PHE 22 HD2 PHE 22 0.216 -2.055 -2.294 131 HE1 PHE 22 HE1 PHE 22 1.036 -0.161 2.171 132 HE2 PHE 22 HE2 PHE 22 2.488 -1.361 -1.653 133 HZ PHE 22 HZ PHE 22 2.900 -0.413 0.582 134 H TYR 23 H TYR 23 -4.691 -1.769 -0.141 135 HA TYR 23 HA TYR 23 -6.225 -3.906 -1.467 136 HB2 TYR 23 1HB TYR 23 -7.275 -1.986 0.622 137 HB3 TYR 23 2HB TYR 23 -8.197 -3.248 -0.187 138 HD1 TYR 23 HD1 TYR 23 -6.561 -5.591 -0.069 139 HD2 TYR 23 HD2 TYR 23 -7.018 -2.528 2.850 140 HE1 TYR 23 HE1 TYR 23 -5.932 -7.186 1.695 141 HE2 TYR 23 HE2 TYR 23 -6.389 -4.114 4.621 142 HH TYR 23 HH TYR 23 -6.538 -7.156 4.503 143 H THR 24 H THR 24 -5.629 -0.480 -1.073 144 HA THR 24 HA THR 24 -7.284 0.048 -3.455 145 HB THR 24 HB THR 24 -7.341 2.427 -2.666 146 HG1 THR 24 HG1 THR 24 -6.648 1.560 -0.094 147 HG21 THR 24 3HG2 THR 24 -8.627 0.137 -1.311 148 HG22 THR 24 1HG2 THR 24 -9.350 1.508 -2.150 149 HG23 THR 24 2HG2 THR 24 -8.758 1.696 -0.499 150 H ASN 25 H ASN 25 -6.406 1.124 -5.169 151 HA ASN 25 HA ASN 25 -3.722 0.929 -5.735 152 HB2 ASN 25 1HB ASN 25 -4.120 2.498 -7.573 153 HB3 ASN 25 2HB ASN 25 -5.450 1.352 -7.436 154 HD21 ASN 25 1HD2 ASN 25 -7.463 2.068 -6.888 155 HD22 ASN 25 2HD2 ASN 25 -7.875 3.742 -6.766 156 H SER 26 H SER 26 -5.445 3.861 -4.667 157 HA SER 26 HA SER 26 -3.447 5.690 -4.595 158 HB2 SER 26 1HB SER 26 -5.474 5.287 -2.382 159 HB3 SER 26 2HB SER 26 -4.606 6.780 -2.737 160 HG SER 26 HG SER 26 -6.781 6.626 -3.623 161 H GLN 27 H GLN 27 -4.079 3.239 -2.107 162 HA GLN 27 HA GLN 27 -2.002 4.013 -0.366 163 HB2 GLN 27 1HB GLN 27 -3.601 1.504 -0.732 164 HB3 GLN 27 2HB GLN 27 -2.232 1.519 0.372 165 HG2 GLN 27 1HG GLN 27 -3.244 3.323 1.640 166 HG3 GLN 27 2HG GLN 27 -4.599 3.372 0.513 167 HE21 GLN 27 1HE2 GLN 27 -3.259 1.888 3.269 168 HE22 GLN 27 2HE2 GLN 27 -4.510 0.729 3.543 169 H CYS 28 H CYS 28 -2.145 1.391 -2.775 170 HA CYS 28 HA CYS 28 0.415 0.399 -2.481 171 HB2 CYS 28 1HB CYS 28 -1.145 -0.763 -3.875 172 HB3 CYS 28 2HB CYS 28 -1.317 0.625 -4.943 173 HG CYS 28 HG CYS 28 1.255 -1.592 -4.749 174 H TYR 29 H TYR 29 -0.683 3.097 -4.499 175 HA TYR 29 HA TYR 29 1.825 3.630 -5.687 176 HB2 TYR 29 1HB TYR 29 -0.553 4.454 -6.350 177 HB3 TYR 29 2HB TYR 29 -0.235 5.764 -5.218 178 HD1 TYR 29 HD2 TYR 29 2.505 6.480 -5.633 179 HD2 TYR 29 HD1 TYR 29 -0.377 5.246 -8.510 180 HE1 TYR 29 HE2 TYR 29 3.738 7.694 -7.381 181 HE2 TYR 29 HE1 TYR 29 0.848 6.456 -10.266 182 HH TYR 29 HH TYR 29 2.665 7.635 -10.765 183 H SER 30 H SER 30 0.124 5.280 -3.023 184 HA SER 30 HA SER 30 1.877 7.204 -2.313 185 HB2 SER 30 1HB SER 30 0.378 5.333 -0.467 186 HB3 SER 30 2HB SER 30 1.188 6.803 0.075 187 HG SER 30 HG SER 30 -1.026 7.164 -0.359 188 H HIS 31 H HIS 31 2.141 3.789 -1.371 189 HA HIS 31 HA HIS 31 4.559 4.108 0.081 190 HB2 HIS 31 1HB HIS 31 3.421 2.178 0.675 191 HB3 HIS 31 2HB HIS 31 3.022 1.774 -0.992 192 HD1 HIS 31 HD1 HIS 31 5.665 1.352 1.593 193 HD2 HIS 31 HD2 HIS 31 5.031 0.378 -2.396 194 HE1 HIS 31 HE1 HIS 31 7.453 -0.320 1.017 195 H GLN 32 H GLN 32 3.899 2.771 -3.157 196 HA GLN 32 HA GLN 32 6.331 2.064 -4.047 197 HB2 GLN 32 1HB GLN 32 4.016 2.402 -5.293 198 HB3 GLN 32 2HB GLN 32 4.798 3.872 -5.858 199 HG2 GLN 32 1HG GLN 32 6.584 2.605 -6.845 200 HG3 GLN 32 2HG GLN 32 5.948 1.109 -6.163 201 HE21 GLN 32 1HE2 GLN 32 5.923 0.296 -8.322 202 HE22 GLN 32 2HE2 GLN 32 4.629 0.702 -9.392 203 H ARG 33 H ARG 33 5.147 5.422 -4.053 204 HA ARG 33 HA ARG 33 7.273 6.726 -5.163 205 HB2 ARG 33 1HB ARG 33 5.398 7.492 -2.951 206 HB3 ARG 33 2HB ARG 33 6.694 8.581 -3.426 207 HG2 ARG 33 1HG ARG 33 5.776 8.331 -5.803 208 HG3 ARG 33 2HG ARG 33 4.341 7.657 -5.029 209 HD2 ARG 33 1HD ARG 33 5.419 10.229 -3.999 210 HD3 ARG 33 2HD ARG 33 4.569 10.243 -5.544 211 HE ARG 33 HE ARG 33 3.428 9.782 -2.926 212 HH11 ARG 33 1HH1 ARG 33 3.019 9.510 -6.373 213 HH12 ARG 33 2HH1 ARG 33 1.290 9.434 -6.293 214 HH21 ARG 33 1HH2 ARG 33 1.152 9.683 -2.808 215 HH22 ARG 33 2HH2 ARG 33 0.229 9.534 -4.265 216 H SER 34 H SER 34 6.953 5.712 -1.777 217 HA SER 34 HA SER 34 9.137 6.807 -0.606 218 HB2 SER 34 1HB SER 34 7.479 5.202 0.439 219 HB3 SER 34 2HB SER 34 8.437 3.888 -0.245 220 HG SER 34 HG SER 34 10.150 4.485 1.023 221 H HIS 35 H HIS 35 9.148 3.830 -2.551 222 HA HIS 35 HA HIS 35 11.848 3.209 -2.338 223 HB2 HIS 35 1HB HIS 35 9.803 2.696 -4.481 224 HB3 HIS 35 2HB HIS 35 11.472 2.170 -4.682 225 HD1 HIS 35 HD1 HIS 35 12.356 0.515 -2.712 226 HD2 HIS 35 HD2 HIS 35 8.243 0.960 -3.090 227 HE1 HIS 35 HE1 HIS 35 11.353 -1.439 -1.486 228 H SER 36 H SER 36 13.233 4.929 -2.484 229 HA SER 36 HA SER 36 13.528 6.095 -5.165 230 HB2 SER 36 1HB SER 36 14.039 8.288 -4.171 231 HB3 SER 36 2HB SER 36 12.407 7.766 -3.754 232 HG SER 36 HG SER 36 12.960 7.659 -1.721 233 H GLY 37 H GLY 37 15.728 7.427 -5.137 234 HA2 GLY 37 1HA GLY 37 17.933 7.228 -3.802 235 HA3 GLY 37 2HA GLY 37 17.743 5.518 -4.161 236 H GLU 38 H GLU 38 19.470 8.063 -5.042 237 HA GLU 38 HA GLU 38 19.728 7.109 -7.809 238 HB2 GLU 38 1HB GLU 38 18.496 9.202 -7.909 239 HB3 GLU 38 2HB GLU 38 19.708 9.995 -6.912 240 HG2 GLU 38 1HG GLU 38 21.371 9.483 -8.734 241 HG3 GLU 38 2HG GLU 38 19.999 9.005 -9.731 242 H LYS 39 H LYS 39 21.733 6.514 -8.282 243 HA LYS 39 HA LYS 39 23.884 7.170 -6.432 244 HB2 LYS 39 1HB LYS 39 23.709 5.247 -8.754 245 HB3 LYS 39 2HB LYS 39 25.176 5.508 -7.819 246 HG2 LYS 39 1HG LYS 39 24.340 3.670 -6.765 247 HG3 LYS 39 2HG LYS 39 23.599 4.945 -5.795 248 HD2 LYS 39 1HD LYS 39 21.550 4.762 -7.119 249 HD3 LYS 39 2HD LYS 39 22.293 3.496 -8.100 250 HE2 LYS 39 1HE LYS 39 22.251 1.955 -6.366 251 HE3 LYS 39 2HE LYS 39 22.132 3.203 -5.126 252 HZ1 LYS 39 3HZ LYS 39 20.028 2.057 -6.816 253 HZ2 LYS 39 1HZ LYS 39 19.868 3.663 -6.310 254 HZ3 LYS 39 2HZ LYS 39 20.002 2.426 -5.166 255 HA PRO 40 HA PRO 40 25.643 10.306 -8.973 256 HB2 PRO 40 1HB PRO 40 28.198 10.209 -8.060 257 HB3 PRO 40 2HB PRO 40 26.870 10.904 -7.124 258 HG2 PRO 40 1HG PRO 40 28.119 8.192 -6.914 259 HG3 PRO 40 2HG PRO 40 27.631 9.302 -5.620 260 HD2 PRO 40 1HD PRO 40 26.123 7.180 -6.366 261 HD3 PRO 40 2HD PRO 40 25.413 8.691 -5.762 262 H SER 41 H SER 41 25.416 9.184 -10.990 263 HA SER 41 HA SER 41 26.118 8.072 -12.862 264 HB2 SER 41 1HB SER 41 28.257 8.814 -13.714 265 HB3 SER 41 2HB SER 41 27.490 10.165 -12.880 266 HG SER 41 HG SER 41 28.851 9.856 -11.152 267 H GLY 42 H GLY 42 26.033 6.375 -10.663 268 HA2 GLY 42 1HA GLY 42 28.255 4.551 -11.314 269 HA3 GLY 42 2HA GLY 42 27.799 4.833 -9.640 270 HA PRO 43 HA PRO 43 24.256 2.340 -11.862 271 HB2 PRO 43 1HB PRO 43 25.088 0.924 -14.024 272 HB3 PRO 43 2HB PRO 43 24.425 2.558 -14.143 273 HG2 PRO 43 1HG PRO 43 27.283 1.668 -14.147 274 HG3 PRO 43 2HG PRO 43 26.488 2.881 -15.167 275 HD2 PRO 43 1HD PRO 43 27.998 3.546 -13.019 276 HD3 PRO 43 2HD PRO 43 26.596 4.506 -13.536 277 H SER 44 H SER 44 23.880 -0.050 -11.992 278 HA SER 44 HA SER 44 26.043 -1.513 -10.625 279 HB2 SER 44 1HB SER 44 24.006 -0.971 -9.222 280 HB3 SER 44 2HB SER 44 23.085 -2.035 -10.285 281 HG SER 44 HG SER 44 24.594 -2.696 -8.201 282 H SER 45 H SER 45 26.827 -2.272 -12.646 283 HA SER 45 HA SER 45 25.391 -4.622 -13.590 284 HB2 SER 45 1HB SER 45 24.737 -2.624 -15.036 285 HB3 SER 45 2HB SER 45 26.409 -2.609 -15.597 286 HG SER 45 HG SER 45 25.066 -5.045 -15.674 287 H GLY 46 H GLY 46 26.736 -6.059 -14.872 288 HA2 GLY 46 1HA GLY 46 29.278 -5.908 -15.686 289 HA3 GLY 46 2HA GLY 46 29.491 -5.983 -13.943 Start of MODEL 3 1 H1 GLY 1 H GLY 1 16.067 -27.496 3.796 2 HA2 GLY 1 1HA GLY 1 15.169 -28.139 1.057 3 HA3 GLY 1 2HA GLY 1 14.924 -29.178 2.453 4 H SER 2 H SER 2 14.131 -25.910 1.285 5 HA SER 2 HA SER 2 11.421 -26.293 2.358 6 HB2 SER 2 1HB SER 2 13.130 -23.810 2.629 7 HB3 SER 2 2HB SER 2 11.407 -23.873 2.999 8 HG SER 2 HG SER 2 12.083 -25.702 4.441 9 H SER 3 H SER 3 9.761 -25.165 1.257 10 HA SER 3 HA SER 3 10.149 -24.995 -1.551 11 HB2 SER 3 1HB SER 3 7.778 -24.163 -1.562 12 HB3 SER 3 2HB SER 3 8.001 -25.690 -0.707 13 HG SER 3 HG SER 3 6.697 -24.063 0.398 14 H GLY 4 H GLY 4 9.415 -22.522 0.912 15 HA2 GLY 4 1HA GLY 4 10.784 -20.456 0.761 16 HA3 GLY 4 2HA GLY 4 10.484 -20.508 -0.970 17 H SER 5 H SER 5 8.234 -21.034 1.721 18 HA SER 5 HA SER 5 6.668 -18.745 0.722 19 HB2 SER 5 1HB SER 5 5.367 -20.674 0.292 20 HB3 SER 5 2HB SER 5 5.781 -21.399 1.845 21 HG SER 5 HG SER 5 3.789 -20.589 2.160 22 H SER 6 H SER 6 7.201 -17.116 2.063 23 HA SER 6 HA SER 6 7.076 -17.622 4.962 24 HB2 SER 6 1HB SER 6 8.561 -15.499 3.401 25 HB3 SER 6 2HB SER 6 8.421 -15.503 5.159 26 HG SER 6 HG SER 6 10.155 -16.827 3.642 27 H GLY 7 H GLY 7 4.756 -17.430 4.905 28 HA2 GLY 7 1HA GLY 7 2.739 -16.269 4.790 29 HA3 GLY 7 2HA GLY 7 3.628 -15.220 5.885 30 H SER 8 H SER 8 4.161 -15.742 2.423 31 HA SER 8 HA SER 8 4.590 -13.075 1.800 32 HB2 SER 8 1HB SER 8 5.091 -15.095 0.352 33 HB3 SER 8 2HB SER 8 3.388 -15.087 -0.109 34 HG SER 8 HG SER 8 3.847 -13.568 -1.470 35 H GLY 9 H GLY 9 1.609 -14.953 1.208 36 HA2 GLY 9 1HA GLY 9 -0.594 -14.294 1.198 37 HA3 GLY 9 2HA GLY 9 -0.091 -12.826 2.024 38 H GLU 10 H GLU 10 -1.717 -13.784 -0.557 39 HA GLU 10 HA GLU 10 -0.560 -11.890 -2.458 40 HB2 GLU 10 1HB GLU 10 -1.246 -14.161 -3.220 41 HB3 GLU 10 2HB GLU 10 -2.909 -13.759 -2.816 42 HG2 GLU 10 1HG GLU 10 -2.861 -13.352 -5.072 43 HG3 GLU 10 2HG GLU 10 -2.539 -11.749 -4.413 44 H LYS 11 H LYS 11 -1.738 -10.172 -3.352 45 HA LYS 11 HA LYS 11 -4.282 -9.478 -2.086 46 HB2 LYS 11 1HB LYS 11 -1.725 -7.978 -1.842 47 HB3 LYS 11 2HB LYS 11 -3.195 -7.038 -2.060 48 HG2 LYS 11 1HG LYS 11 -4.060 -7.660 -0.030 49 HG3 LYS 11 2HG LYS 11 -3.137 -9.163 0.024 50 HD2 LYS 11 1HD LYS 11 -1.071 -7.808 0.336 51 HD3 LYS 11 2HD LYS 11 -2.085 -6.367 0.441 52 HE2 LYS 11 1HE LYS 11 -2.918 -6.937 2.494 53 HE3 LYS 11 2HE LYS 11 -2.726 -8.667 2.212 54 HZ1 LYS 11 3HZ LYS 11 -0.997 -8.411 3.599 55 HZ2 LYS 11 1HZ LYS 11 -0.847 -6.751 3.308 56 HZ3 LYS 11 2HZ LYS 11 -0.184 -7.863 2.221 57 HA PRO 12 HA PRO 12 -5.463 -8.008 -6.047 58 HB2 PRO 12 1HB PRO 12 -6.963 -5.826 -5.448 59 HB3 PRO 12 2HB PRO 12 -7.508 -7.479 -5.142 60 HG2 PRO 12 1HG PRO 12 -6.305 -5.501 -3.246 61 HG3 PRO 12 2HG PRO 12 -7.679 -6.594 -2.999 62 HD2 PRO 12 1HD PRO 12 -5.200 -7.133 -2.052 63 HD3 PRO 12 2HD PRO 12 -6.321 -8.407 -2.572 64 H PHE 13 H PHE 13 -3.567 -6.030 -3.991 65 HA PHE 13 HA PHE 13 -2.393 -4.693 -6.262 66 HB2 PHE 13 1HB PHE 13 -3.779 -3.090 -4.102 67 HB3 PHE 13 2HB PHE 13 -2.723 -2.414 -5.339 68 HD1 PHE 13 HD2 PHE 13 -5.900 -4.245 -4.829 69 HD2 PHE 13 HD1 PHE 13 -3.549 -1.857 -7.453 70 HE1 PHE 13 HE2 PHE 13 -7.827 -4.017 -6.342 71 HE2 PHE 13 HE1 PHE 13 -5.473 -1.624 -8.970 72 HZ PHE 13 HZ PHE 13 -7.615 -2.706 -8.416 73 H LYS 14 H LYS 14 -0.355 -5.282 -5.844 74 HA LYS 14 HA LYS 14 0.748 -4.601 -3.199 75 HB2 LYS 14 1HB LYS 14 2.387 -6.549 -3.732 76 HB3 LYS 14 2HB LYS 14 0.784 -6.921 -3.110 77 HG2 LYS 14 1HG LYS 14 0.004 -7.447 -5.338 78 HG3 LYS 14 2HG LYS 14 1.566 -6.985 -6.018 79 HD2 LYS 14 1HD LYS 14 2.466 -8.776 -4.311 80 HD3 LYS 14 2HD LYS 14 0.817 -9.396 -4.431 81 HE2 LYS 14 1HE LYS 14 1.047 -9.562 -6.853 82 HE3 LYS 14 2HE LYS 14 2.680 -8.905 -6.753 83 HZ1 LYS 14 3HZ LYS 14 1.788 -11.447 -5.503 84 HZ2 LYS 14 1HZ LYS 14 3.362 -10.826 -5.489 85 HZ3 LYS 14 2HZ LYS 14 2.664 -11.327 -6.945 86 H CYS 15 H CYS 15 3.068 -4.151 -3.198 87 HA CYS 15 HA CYS 15 3.780 -2.377 -5.303 88 HB2 CYS 15 1HB CYS 15 4.467 -2.091 -2.920 89 HB3 CYS 15 2HB CYS 15 5.549 -3.468 -3.106 90 H GLU 16 H GLU 16 5.481 -2.528 -6.795 91 HA GLU 16 HA GLU 16 6.021 -5.253 -7.672 92 HB2 GLU 16 1HB GLU 16 6.360 -4.405 -9.772 93 HB3 GLU 16 2HB GLU 16 5.298 -3.163 -9.126 94 HG2 GLU 16 1HG GLU 16 7.168 -1.727 -8.668 95 HG3 GLU 16 2HG GLU 16 8.301 -2.991 -9.142 96 H GLU 17 H GLU 17 7.596 -2.633 -6.095 97 HA GLU 17 HA GLU 17 10.279 -3.371 -6.747 98 HB2 GLU 17 1HB GLU 17 9.057 -1.559 -4.679 99 HB3 GLU 17 2HB GLU 17 10.784 -1.886 -4.703 100 HG2 GLU 17 1HG GLU 17 10.801 -1.092 -7.083 101 HG3 GLU 17 2HG GLU 17 9.137 -0.563 -6.839 102 H CYS 18 H CYS 18 8.531 -3.507 -3.637 103 HA CYS 18 HA CYS 18 10.301 -5.699 -2.818 104 HB2 CYS 18 1HB CYS 18 9.321 -5.224 -0.525 105 HB3 CYS 18 2HB CYS 18 10.315 -3.945 -1.216 106 H GLY 19 H GLY 19 6.854 -4.787 -2.696 107 HA2 GLY 19 1HA GLY 19 5.375 -6.586 -3.683 108 HA3 GLY 19 2HA GLY 19 6.209 -7.667 -2.576 109 H LYS 20 H LYS 20 5.691 -4.546 -1.333 110 HA LYS 20 HA LYS 20 4.344 -5.222 0.915 111 HB2 LYS 20 1HB LYS 20 5.164 -2.888 -0.057 112 HB3 LYS 20 2HB LYS 20 3.453 -2.711 -0.423 113 HG2 LYS 20 1HG LYS 20 3.452 -1.793 1.642 114 HG3 LYS 20 2HG LYS 20 3.234 -3.480 2.113 115 HD2 LYS 20 1HD LYS 20 5.994 -2.373 1.819 116 HD3 LYS 20 2HD LYS 20 5.061 -2.015 3.274 117 HE2 LYS 20 1HE LYS 20 4.716 -4.458 3.578 118 HE3 LYS 20 2HE LYS 20 5.786 -4.741 2.206 119 HZ1 LYS 20 3HZ LYS 20 6.681 -4.741 4.656 120 HZ2 LYS 20 1HZ LYS 20 6.771 -3.071 4.399 121 HZ3 LYS 20 2HZ LYS 20 7.616 -4.130 3.385 122 H GLY 21 H GLY 21 2.080 -4.893 1.584 123 HA2 GLY 21 1HA GLY 21 0.250 -5.835 -0.531 124 HA3 GLY 21 2HA GLY 21 0.086 -6.219 1.176 125 H PHE 22 H PHE 22 -1.756 -4.926 -0.801 126 HA PHE 22 HA PHE 22 -2.660 -2.819 0.961 127 HB2 PHE 22 1HB PHE 22 -2.070 -2.191 -1.938 128 HB3 PHE 22 2HB PHE 22 -2.757 -1.090 -0.749 129 HD1 PHE 22 HD1 PHE 22 -1.308 -0.597 1.333 130 HD2 PHE 22 HD2 PHE 22 0.212 -2.233 -2.290 131 HE1 PHE 22 HE1 PHE 22 0.954 0.151 1.949 132 HE2 PHE 22 HE2 PHE 22 2.477 -1.489 -1.680 133 HZ PHE 22 HZ PHE 22 2.850 -0.296 0.442 134 H TYR 23 H TYR 23 -4.710 -1.757 -0.165 135 HA TYR 23 HA TYR 23 -6.261 -3.924 -1.419 136 HB2 TYR 23 1HB TYR 23 -7.293 -1.973 0.649 137 HB3 TYR 23 2HB TYR 23 -8.204 -3.278 -0.103 138 HD1 TYR 23 HD1 TYR 23 -6.357 -5.530 0.028 139 HD2 TYR 23 HD2 TYR 23 -7.137 -2.494 2.905 140 HE1 TYR 23 HE1 TYR 23 -5.655 -7.059 1.822 141 HE2 TYR 23 HE2 TYR 23 -6.437 -4.014 4.707 142 HH TYR 23 HH TYR 23 -5.189 -5.978 5.079 143 H THR 24 H THR 24 -5.523 -0.542 -1.215 144 HA THR 24 HA THR 24 -7.242 -0.057 -3.560 145 HB THR 24 HB THR 24 -7.504 2.275 -2.824 146 HG1 THR 24 HG1 THR 24 -5.536 2.273 -1.514 147 HG21 THR 24 3HG2 THR 24 -9.302 1.792 -1.544 148 HG22 THR 24 1HG2 THR 24 -8.359 0.849 -0.391 149 HG23 THR 24 2HG2 THR 24 -8.873 0.122 -1.913 150 H ASN 25 H ASN 25 -6.331 0.929 -5.289 151 HA ASN 25 HA ASN 25 -3.651 0.841 -5.797 152 HB2 ASN 25 1HB ASN 25 -4.068 2.488 -7.613 153 HB3 ASN 25 2HB ASN 25 -5.267 1.199 -7.569 154 HD21 ASN 25 1HD2 ASN 25 -5.046 4.260 -8.264 155 HD22 ASN 25 2HD2 ASN 25 -6.546 4.871 -7.662 156 H SER 26 H SER 26 -5.439 3.776 -4.845 157 HA SER 26 HA SER 26 -3.538 5.659 -4.732 158 HB2 SER 26 1HB SER 26 -5.779 5.043 -2.843 159 HB3 SER 26 2HB SER 26 -4.661 6.350 -2.453 160 HG SER 26 HG SER 26 -5.680 6.295 -5.039 161 H GLN 27 H GLN 27 -4.139 3.501 -1.953 162 HA GLN 27 HA GLN 27 -1.949 4.259 -0.429 163 HB2 GLN 27 1HB GLN 27 -3.641 1.808 -0.572 164 HB3 GLN 27 2HB GLN 27 -2.160 1.741 0.375 165 HG2 GLN 27 1HG GLN 27 -4.000 4.025 0.820 166 HG3 GLN 27 2HG GLN 27 -4.468 2.441 1.437 167 HE21 GLN 27 1HE2 GLN 27 -4.185 4.212 3.309 168 HE22 GLN 27 2HE2 GLN 27 -2.694 4.051 4.166 169 H CYS 28 H CYS 28 -2.182 1.406 -2.560 170 HA CYS 28 HA CYS 28 0.341 0.413 -2.363 171 HB2 CYS 28 1HB CYS 28 -1.382 -0.634 -3.739 172 HB3 CYS 28 2HB CYS 28 -1.292 0.690 -4.894 173 HG CYS 28 HG CYS 28 1.610 -0.022 -5.202 174 H TYR 29 H TYR 29 -0.682 3.081 -4.469 175 HA TYR 29 HA TYR 29 1.861 3.520 -5.627 176 HB2 TYR 29 1HB TYR 29 -0.454 4.339 -6.423 177 HB3 TYR 29 2HB TYR 29 -0.220 5.668 -5.293 178 HD1 TYR 29 HD2 TYR 29 2.262 6.755 -5.532 179 HD2 TYR 29 HD1 TYR 29 0.096 4.775 -8.612 180 HE1 TYR 29 HE2 TYR 29 3.571 7.968 -7.224 181 HE2 TYR 29 HE1 TYR 29 1.400 5.982 -10.313 182 HH TYR 29 HH TYR 29 3.024 8.645 -9.837 183 H SER 30 H SER 30 0.155 5.123 -2.952 184 HA SER 30 HA SER 30 1.882 7.125 -2.306 185 HB2 SER 30 1HB SER 30 -0.183 6.795 -1.079 186 HB3 SER 30 2HB SER 30 0.419 5.282 -0.402 187 HG SER 30 HG SER 30 2.119 6.593 0.565 188 H HIS 31 H HIS 31 2.233 3.699 -1.531 189 HA HIS 31 HA HIS 31 4.613 4.056 0.020 190 HB2 HIS 31 1HB HIS 31 3.548 2.104 0.624 191 HB3 HIS 31 2HB HIS 31 3.070 1.726 -1.028 192 HD1 HIS 31 HD1 HIS 31 5.844 1.275 1.417 193 HD2 HIS 31 HD2 HIS 31 4.991 0.326 -2.537 194 HE1 HIS 31 HE1 HIS 31 7.593 -0.398 0.735 195 H GLN 32 H GLN 32 3.946 2.880 -3.268 196 HA GLN 32 HA GLN 32 6.409 2.151 -4.138 197 HB2 GLN 32 1HB GLN 32 4.090 2.462 -5.387 198 HB3 GLN 32 2HB GLN 32 4.853 3.946 -5.941 199 HG2 GLN 32 1HG GLN 32 6.703 2.665 -6.868 200 HG3 GLN 32 2HG GLN 32 5.965 1.171 -6.290 201 HE21 GLN 32 1HE2 GLN 32 5.399 0.131 -8.082 202 HE22 GLN 32 2HE2 GLN 32 4.416 0.776 -9.346 203 H ARG 33 H ARG 33 5.206 5.466 -3.840 204 HA ARG 33 HA ARG 33 7.349 6.805 -5.012 205 HB2 ARG 33 1HB ARG 33 5.627 7.709 -2.697 206 HB3 ARG 33 2HB ARG 33 6.635 8.755 -3.689 207 HG2 ARG 33 1HG ARG 33 5.244 8.576 -5.527 208 HG3 ARG 33 2HG ARG 33 4.519 7.071 -4.957 209 HD2 ARG 33 1HD ARG 33 2.919 8.852 -4.721 210 HD3 ARG 33 2HD ARG 33 3.445 8.334 -3.120 211 HE ARG 33 HE ARG 33 4.997 10.520 -4.068 212 HH11 ARG 33 1HH1 ARG 33 1.916 9.693 -2.673 213 HH12 ARG 33 2HH1 ARG 33 1.685 11.246 -1.940 214 HH21 ARG 33 1HH2 ARG 33 4.703 12.568 -3.109 215 HH22 ARG 33 2HH2 ARG 33 3.270 12.881 -2.189 216 H SER 34 H SER 34 6.846 5.923 -1.603 217 HA SER 34 HA SER 34 8.954 7.027 -0.346 218 HB2 SER 34 1HB SER 34 7.305 5.455 0.687 219 HB3 SER 34 2HB SER 34 8.209 4.112 -0.012 220 HG SER 34 HG SER 34 8.796 5.700 2.162 221 H HIS 35 H HIS 35 9.145 3.935 -2.110 222 HA HIS 35 HA HIS 35 11.738 3.245 -1.803 223 HB2 HIS 35 1HB HIS 35 9.935 3.101 -4.193 224 HB3 HIS 35 2HB HIS 35 11.610 2.576 -4.334 225 HD1 HIS 35 HD1 HIS 35 12.203 0.869 -2.089 226 HD2 HIS 35 HD2 HIS 35 8.363 0.982 -3.671 227 HE1 HIS 35 HE1 HIS 35 11.113 -1.279 -1.364 228 H SER 36 H SER 36 13.408 4.615 -1.704 229 HA SER 36 HA SER 36 13.617 6.878 -3.486 230 HB2 SER 36 1HB SER 36 14.361 6.738 -0.998 231 HB3 SER 36 2HB SER 36 15.809 5.965 -1.643 232 HG SER 36 HG SER 36 15.796 8.360 -1.382 233 H GLY 37 H GLY 37 13.745 5.771 -5.509 234 HA2 GLY 37 1HA GLY 37 16.468 4.787 -6.057 235 HA3 GLY 37 2HA GLY 37 15.075 3.878 -6.626 236 H GLU 38 H GLU 38 17.326 6.210 -7.420 237 HA GLU 38 HA GLU 38 15.656 7.641 -9.312 238 HB2 GLU 38 1HB GLU 38 17.716 8.874 -9.857 239 HB3 GLU 38 2HB GLU 38 17.383 8.880 -8.131 240 HG2 GLU 38 1HG GLU 38 19.598 8.418 -8.069 241 HG3 GLU 38 2HG GLU 38 18.976 6.773 -8.183 242 H LYS 39 H LYS 39 15.651 4.935 -9.847 243 HA LYS 39 HA LYS 39 16.789 4.920 -12.520 244 HB2 LYS 39 1HB LYS 39 17.640 3.064 -10.331 245 HB3 LYS 39 2HB LYS 39 17.569 2.467 -11.984 246 HG2 LYS 39 1HG LYS 39 19.087 4.295 -12.667 247 HG3 LYS 39 2HG LYS 39 19.216 4.776 -10.974 248 HD2 LYS 39 1HD LYS 39 21.078 3.438 -11.211 249 HD3 LYS 39 2HD LYS 39 19.889 2.276 -10.617 250 HE2 LYS 39 1HE LYS 39 20.342 2.717 -13.553 251 HE3 LYS 39 2HE LYS 39 21.337 1.598 -12.621 252 HZ1 LYS 39 3HZ LYS 39 19.037 0.675 -11.890 253 HZ2 LYS 39 1HZ LYS 39 19.689 0.227 -13.386 254 HZ3 LYS 39 2HZ LYS 39 18.488 1.415 -13.309 255 HA PRO 40 HA PRO 40 13.054 2.831 -13.501 256 HB2 PRO 40 1HB PRO 40 13.826 1.379 -15.662 257 HB3 PRO 40 2HB PRO 40 13.609 3.133 -15.710 258 HG2 PRO 40 1HG PRO 40 16.130 1.542 -15.430 259 HG3 PRO 40 2HG PRO 40 15.817 2.977 -16.424 260 HD2 PRO 40 1HD PRO 40 17.106 3.105 -14.047 261 HD3 PRO 40 2HD PRO 40 16.076 4.421 -14.646 262 H SER 41 H SER 41 12.278 1.289 -12.201 263 HA SER 41 HA SER 41 13.447 -0.739 -10.913 264 HB2 SER 41 1HB SER 41 10.721 -0.505 -12.115 265 HB3 SER 41 2HB SER 41 11.198 -2.049 -11.410 266 HG SER 41 HG SER 41 11.878 -0.570 -9.557 267 H GLY 42 H GLY 42 12.116 -1.088 -14.204 268 HA2 GLY 42 1HA GLY 42 13.388 -2.241 -15.905 269 HA3 GLY 42 2HA GLY 42 14.062 -3.259 -14.641 270 HA PRO 43 HA PRO 43 10.815 -5.800 -16.625 271 HB2 PRO 43 1HB PRO 43 12.131 -8.144 -16.252 272 HB3 PRO 43 2HB PRO 43 12.447 -7.074 -17.622 273 HG2 PRO 43 1HG PRO 43 13.965 -7.368 -15.059 274 HG3 PRO 43 2HG PRO 43 14.583 -7.211 -16.714 275 HD2 PRO 43 1HD PRO 43 14.509 -5.131 -14.982 276 HD3 PRO 43 2HD PRO 43 14.306 -4.923 -16.733 277 H SER 44 H SER 44 9.151 -5.873 -15.221 278 HA SER 44 HA SER 44 9.521 -7.443 -12.754 279 HB2 SER 44 1HB SER 44 9.217 -5.234 -11.980 280 HB3 SER 44 2HB SER 44 7.983 -4.888 -13.193 281 HG SER 44 HG SER 44 6.656 -5.393 -11.643 282 H SER 45 H SER 45 8.781 -9.346 -13.698 283 HA SER 45 HA SER 45 6.619 -9.743 -15.337 284 HB2 SER 45 1HB SER 45 7.993 -11.414 -13.292 285 HB3 SER 45 2HB SER 45 6.435 -11.985 -13.888 286 HG SER 45 HG SER 45 8.284 -11.115 -15.779 287 H GLY 46 H GLY 46 4.676 -8.829 -15.074 288 HA2 GLY 46 1HA GLY 46 3.508 -8.549 -12.430 289 HA3 GLY 46 2HA GLY 46 2.838 -7.944 -13.938 Start of MODEL 4 1 H1 GLY 1 H GLY 1 14.751 -6.502 19.224 2 HA2 GLY 1 1HA GLY 1 15.323 -7.047 16.858 3 HA3 GLY 1 2HA GLY 1 14.167 -8.184 17.536 4 H SER 2 H SER 2 14.726 -6.988 14.762 5 HA SER 2 HA SER 2 12.585 -5.407 13.943 6 HB2 SER 2 1HB SER 2 14.331 -7.388 12.501 7 HB3 SER 2 2HB SER 2 13.017 -6.564 11.663 8 HG SER 2 HG SER 2 15.153 -5.304 13.048 9 H SER 3 H SER 3 10.887 -6.212 12.316 10 HA SER 3 HA SER 3 9.615 -8.640 13.401 11 HB2 SER 3 1HB SER 3 8.546 -6.331 13.898 12 HB3 SER 3 2HB SER 3 8.055 -6.362 12.205 13 HG SER 3 HG SER 3 6.965 -8.315 12.628 14 H GLY 4 H GLY 4 8.903 -10.150 11.991 15 HA2 GLY 4 1HA GLY 4 8.946 -9.471 9.121 16 HA3 GLY 4 2HA GLY 4 9.766 -10.908 9.712 17 H SER 5 H SER 5 6.967 -9.766 8.355 18 HA SER 5 HA SER 5 5.226 -11.772 9.562 19 HB2 SER 5 1HB SER 5 4.791 -9.428 7.741 20 HB3 SER 5 2HB SER 5 3.570 -10.697 7.840 21 HG SER 5 HG SER 5 2.932 -9.560 9.501 22 H SER 6 H SER 6 5.226 -13.758 8.768 23 HA SER 6 HA SER 6 6.513 -14.808 6.664 24 HB2 SER 6 1HB SER 6 5.210 -16.152 8.268 25 HB3 SER 6 2HB SER 6 3.716 -15.616 7.500 26 HG SER 6 HG SER 6 5.019 -16.531 5.525 27 H GLY 7 H GLY 7 3.164 -13.595 6.461 28 HA2 GLY 7 1HA GLY 7 2.842 -12.102 4.438 29 HA3 GLY 7 2HA GLY 7 3.504 -13.454 3.532 30 H SER 8 H SER 8 0.742 -11.951 4.024 31 HA SER 8 HA SER 8 -1.138 -13.808 4.868 32 HB2 SER 8 1HB SER 8 -1.249 -11.473 2.990 33 HB3 SER 8 2HB SER 8 -2.660 -12.515 3.169 34 HG SER 8 HG SER 8 -3.010 -11.699 5.078 35 H GLY 9 H GLY 9 -0.025 -13.176 1.540 36 HA2 GLY 9 1HA GLY 9 0.354 -15.594 0.525 37 HA3 GLY 9 2HA GLY 9 -1.401 -15.579 0.617 38 H GLU 10 H GLU 10 -2.114 -13.117 -0.169 39 HA GLU 10 HA GLU 10 -0.740 -12.061 -2.385 40 HB2 GLU 10 1HB GLU 10 -1.324 -14.220 -3.413 41 HB3 GLU 10 2HB GLU 10 -3.024 -13.916 -3.082 42 HG2 GLU 10 1HG GLU 10 -2.512 -11.715 -4.463 43 HG3 GLU 10 2HG GLU 10 -1.248 -12.740 -5.140 44 H LYS 11 H LYS 11 -1.722 -10.217 -3.190 45 HA LYS 11 HA LYS 11 -4.371 -9.546 -2.103 46 HB2 LYS 11 1HB LYS 11 -1.799 -8.093 -1.765 47 HB3 LYS 11 2HB LYS 11 -3.238 -7.121 -2.044 48 HG2 LYS 11 1HG LYS 11 -4.291 -7.958 -0.093 49 HG3 LYS 11 2HG LYS 11 -3.063 -9.210 0.110 50 HD2 LYS 11 1HD LYS 11 -1.377 -7.484 0.530 51 HD3 LYS 11 2HD LYS 11 -2.605 -6.233 0.323 52 HE2 LYS 11 1HE LYS 11 -3.636 -6.728 2.319 53 HE3 LYS 11 2HE LYS 11 -3.067 -8.396 2.322 54 HZ1 LYS 11 3HZ LYS 11 -1.448 -5.974 2.892 55 HZ2 LYS 11 1HZ LYS 11 -0.816 -7.539 2.770 56 HZ3 LYS 11 2HZ LYS 11 -1.914 -7.163 4.001 57 HA PRO 12 HA PRO 12 -5.408 -8.040 -6.091 58 HB2 PRO 12 1HB PRO 12 -6.881 -5.830 -5.530 59 HB3 PRO 12 2HB PRO 12 -7.468 -7.473 -5.244 60 HG2 PRO 12 1HG PRO 12 -6.280 -5.522 -3.309 61 HG3 PRO 12 2HG PRO 12 -7.682 -6.587 -3.105 62 HD2 PRO 12 1HD PRO 12 -5.243 -7.178 -2.088 63 HD3 PRO 12 2HD PRO 12 -6.374 -8.428 -2.643 64 H PHE 13 H PHE 13 -3.710 -5.934 -3.916 65 HA PHE 13 HA PHE 13 -2.359 -4.685 -6.159 66 HB2 PHE 13 1HB PHE 13 -3.811 -3.028 -4.085 67 HB3 PHE 13 2HB PHE 13 -2.743 -2.396 -5.334 68 HD1 PHE 13 HD2 PHE 13 -5.966 -4.078 -4.724 69 HD2 PHE 13 HD1 PHE 13 -3.505 -2.051 -7.544 70 HE1 PHE 13 HE2 PHE 13 -7.877 -3.909 -6.265 71 HE2 PHE 13 HE1 PHE 13 -5.413 -1.878 -9.089 72 HZ PHE 13 HZ PHE 13 -7.602 -2.809 -8.450 73 H LYS 14 H LYS 14 -0.290 -4.977 -5.697 74 HA LYS 14 HA LYS 14 0.652 -4.359 -2.984 75 HB2 LYS 14 1HB LYS 14 2.272 -6.277 -3.213 76 HB3 LYS 14 2HB LYS 14 0.588 -6.740 -3.002 77 HG2 LYS 14 1HG LYS 14 1.134 -8.147 -4.690 78 HG3 LYS 14 2HG LYS 14 0.648 -6.748 -5.652 79 HD2 LYS 14 1HD LYS 14 2.860 -6.145 -6.106 80 HD3 LYS 14 2HD LYS 14 3.494 -7.120 -4.778 81 HE2 LYS 14 1HE LYS 14 4.033 -8.354 -6.681 82 HE3 LYS 14 2HE LYS 14 2.569 -9.130 -6.080 83 HZ1 LYS 14 3HZ LYS 14 2.227 -6.977 -8.018 84 HZ2 LYS 14 1HZ LYS 14 1.359 -8.418 -7.836 85 HZ3 LYS 14 2HZ LYS 14 2.868 -8.430 -8.600 86 H CYS 15 H CYS 15 2.948 -3.849 -2.872 87 HA CYS 15 HA CYS 15 3.746 -2.023 -4.843 88 HB2 CYS 15 1HB CYS 15 4.506 -1.981 -2.476 89 HB3 CYS 15 2HB CYS 15 5.499 -3.399 -2.797 90 H GLU 16 H GLU 16 5.397 -2.091 -6.394 91 HA GLU 16 HA GLU 16 5.823 -4.744 -7.528 92 HB2 GLU 16 1HB GLU 16 6.166 -3.719 -9.566 93 HB3 GLU 16 2HB GLU 16 5.060 -2.586 -8.801 94 HG2 GLU 16 1HG GLU 16 6.833 -1.090 -8.274 95 HG3 GLU 16 2HG GLU 16 8.048 -2.269 -8.763 96 H GLU 17 H GLU 17 7.524 -2.274 -5.831 97 HA GLU 17 HA GLU 17 10.158 -2.993 -6.649 98 HB2 GLU 17 1HB GLU 17 9.059 -1.388 -4.352 99 HB3 GLU 17 2HB GLU 17 10.779 -1.722 -4.500 100 HG2 GLU 17 1HG GLU 17 9.213 -0.450 -6.717 101 HG3 GLU 17 2HG GLU 17 9.928 0.492 -5.410 102 H CYS 18 H CYS 18 8.415 -3.517 -3.578 103 HA CYS 18 HA CYS 18 10.202 -5.798 -3.056 104 HB2 CYS 18 1HB CYS 18 9.472 -5.523 -0.670 105 HB3 CYS 18 2HB CYS 18 10.377 -4.157 -1.314 106 H GLY 19 H GLY 19 6.818 -4.747 -2.681 107 HA2 GLY 19 1HA GLY 19 5.274 -6.482 -3.767 108 HA3 GLY 19 2HA GLY 19 6.028 -7.585 -2.627 109 H LYS 20 H LYS 20 5.808 -4.583 -1.216 110 HA LYS 20 HA LYS 20 4.326 -5.120 0.924 111 HB2 LYS 20 1HB LYS 20 5.325 -2.861 0.120 112 HB3 LYS 20 2HB LYS 20 3.717 -2.561 -0.526 113 HG2 LYS 20 1HG LYS 20 3.474 -1.595 1.509 114 HG3 LYS 20 2HG LYS 20 3.005 -3.244 1.931 115 HD2 LYS 20 1HD LYS 20 5.600 -3.492 2.364 116 HD3 LYS 20 2HD LYS 20 5.494 -1.743 2.579 117 HE2 LYS 20 1HE LYS 20 4.035 -1.939 4.393 118 HE3 LYS 20 2HE LYS 20 3.602 -3.598 3.984 119 HZ1 LYS 20 3HZ LYS 20 5.430 -2.860 5.843 120 HZ2 LYS 20 1HZ LYS 20 6.402 -3.258 4.517 121 HZ3 LYS 20 2HZ LYS 20 5.314 -4.394 5.140 122 H GLY 21 H GLY 21 2.206 -5.318 1.559 123 HA2 GLY 21 1HA GLY 21 0.321 -5.936 -0.581 124 HA3 GLY 21 2HA GLY 21 0.117 -6.303 1.126 125 H PHE 22 H PHE 22 -1.648 -4.962 -0.891 126 HA PHE 22 HA PHE 22 -2.454 -2.767 0.832 127 HB2 PHE 22 1HB PHE 22 -2.003 -2.306 -2.122 128 HB3 PHE 22 2HB PHE 22 -2.555 -1.122 -0.942 129 HD1 PHE 22 HD1 PHE 22 -0.911 -0.796 1.108 130 HD2 PHE 22 HD2 PHE 22 0.210 -2.291 -2.716 131 HE1 PHE 22 HE1 PHE 22 1.420 -0.134 1.537 132 HE2 PHE 22 HE2 PHE 22 2.543 -1.633 -2.293 133 HZ PHE 22 HZ PHE 22 3.151 -0.554 -0.165 134 H TYR 23 H TYR 23 -4.511 -1.698 -0.307 135 HA TYR 23 HA TYR 23 -6.175 -3.885 -1.364 136 HB2 TYR 23 1HB TYR 23 -6.953 -1.846 0.730 137 HB3 TYR 23 2HB TYR 23 -8.068 -2.975 -0.031 138 HD1 TYR 23 HD1 TYR 23 -6.495 -5.457 -0.067 139 HD2 TYR 23 HD2 TYR 23 -6.856 -2.492 2.963 140 HE1 TYR 23 HE1 TYR 23 -5.956 -7.144 1.639 141 HE2 TYR 23 HE2 TYR 23 -6.316 -4.171 4.678 142 HH TYR 23 HH TYR 23 -5.464 -7.492 3.794 143 H THR 24 H THR 24 -5.384 -0.498 -1.321 144 HA THR 24 HA THR 24 -7.127 -0.103 -3.664 145 HB THR 24 HB THR 24 -7.452 2.230 -3.009 146 HG1 THR 24 HG1 THR 24 -5.593 1.520 -1.058 147 HG21 THR 24 3HG2 THR 24 -9.277 1.247 -2.132 148 HG22 THR 24 1HG2 THR 24 -8.490 1.541 -0.582 149 HG23 THR 24 2HG2 THR 24 -8.339 -0.033 -1.363 150 H ASN 25 H ASN 25 -6.119 0.541 -5.455 151 HA ASN 25 HA ASN 25 -3.455 0.580 -5.893 152 HB2 ASN 25 1HB ASN 25 -5.382 0.861 -7.575 153 HB3 ASN 25 2HB ASN 25 -5.216 2.590 -7.283 154 HD21 ASN 25 1HD2 ASN 25 -3.015 3.483 -7.588 155 HD22 ASN 25 2HD2 ASN 25 -2.066 2.854 -8.887 156 H SER 26 H SER 26 -5.398 3.355 -4.859 157 HA SER 26 HA SER 26 -3.556 5.381 -4.991 158 HB2 SER 26 1HB SER 26 -5.744 4.825 -2.997 159 HB3 SER 26 2HB SER 26 -4.751 6.278 -2.888 160 HG SER 26 HG SER 26 -6.464 5.482 -4.997 161 H GLN 27 H GLN 27 -4.090 3.254 -2.179 162 HA GLN 27 HA GLN 27 -2.024 4.230 -0.591 163 HB2 GLN 27 1HB GLN 27 -3.555 1.682 -0.717 164 HB3 GLN 27 2HB GLN 27 -2.080 1.695 0.241 165 HG2 GLN 27 1HG GLN 27 -4.273 2.208 1.427 166 HG3 GLN 27 2HG GLN 27 -2.908 3.283 1.724 167 HE21 GLN 27 1HE2 GLN 27 -2.944 5.368 0.895 168 HE22 GLN 27 2HE2 GLN 27 -4.394 6.105 0.315 169 H CYS 28 H CYS 28 -1.970 1.301 -2.630 170 HA CYS 28 HA CYS 28 0.587 0.476 -2.342 171 HB2 CYS 28 1HB CYS 28 -0.919 -0.710 -3.796 172 HB3 CYS 28 2HB CYS 28 -1.007 0.655 -4.902 173 HG CYS 28 HG CYS 28 0.584 -1.725 -5.713 174 H TYR 29 H TYR 29 -0.489 3.224 -4.272 175 HA TYR 29 HA TYR 29 2.037 3.782 -5.440 176 HB2 TYR 29 1HB TYR 29 -0.263 4.592 -6.214 177 HB3 TYR 29 2HB TYR 29 -0.136 5.815 -4.954 178 HD1 TYR 29 HD2 TYR 29 2.364 6.975 -5.016 179 HD2 TYR 29 HD1 TYR 29 0.240 5.348 -8.324 180 HE1 TYR 29 HE2 TYR 29 3.646 8.418 -6.540 181 HE2 TYR 29 HE1 TYR 29 1.517 6.785 -9.858 182 HH TYR 29 HH TYR 29 2.777 9.092 -9.600 183 H SER 30 H SER 30 0.320 5.130 -2.638 184 HA SER 30 HA SER 30 2.005 7.139 -1.878 185 HB2 SER 30 1HB SER 30 -0.156 6.297 -0.749 186 HB3 SER 30 2HB SER 30 0.901 5.223 0.168 187 HG SER 30 HG SER 30 0.484 7.246 1.219 188 H HIS 31 H HIS 31 2.406 3.679 -1.260 189 HA HIS 31 HA HIS 31 4.883 4.078 0.172 190 HB2 HIS 31 1HB HIS 31 3.758 2.220 0.987 191 HB3 HIS 31 2HB HIS 31 3.236 1.705 -0.614 192 HD1 HIS 31 HD1 HIS 31 5.997 1.357 1.835 193 HD2 HIS 31 HD2 HIS 31 5.174 0.237 -2.080 194 HE1 HIS 31 HE1 HIS 31 7.730 -0.370 1.252 195 H GLN 32 H GLN 32 3.901 2.770 -2.978 196 HA GLN 32 HA GLN 32 6.316 1.907 -3.955 197 HB2 GLN 32 1HB GLN 32 3.865 3.035 -5.200 198 HB3 GLN 32 2HB GLN 32 5.300 2.926 -6.211 199 HG2 GLN 32 1HG GLN 32 5.421 0.575 -5.937 200 HG3 GLN 32 2HG GLN 32 4.197 0.597 -4.669 201 HE21 GLN 32 1HE2 GLN 32 4.089 -1.003 -6.979 202 HE22 GLN 32 2HE2 GLN 32 2.726 -0.503 -7.916 203 H ARG 33 H ARG 33 5.057 5.216 -3.920 204 HA ARG 33 HA ARG 33 7.201 6.377 -5.353 205 HB2 ARG 33 1HB ARG 33 6.291 8.474 -4.740 206 HB3 ARG 33 2HB ARG 33 4.916 7.392 -4.913 207 HG2 ARG 33 1HG ARG 33 4.464 7.379 -2.670 208 HG3 ARG 33 2HG ARG 33 6.133 7.737 -2.221 209 HD2 ARG 33 1HD ARG 33 4.630 9.791 -3.753 210 HD3 ARG 33 2HD ARG 33 4.204 9.552 -2.059 211 HE ARG 33 HE ARG 33 7.027 9.871 -2.543 212 HH11 ARG 33 1HH1 ARG 33 4.012 11.478 -1.876 213 HH12 ARG 33 2HH1 ARG 33 4.762 12.888 -1.204 214 HH21 ARG 33 1HH2 ARG 33 8.027 11.722 -1.661 215 HH22 ARG 33 2HH2 ARG 33 7.046 13.026 -1.083 216 H SER 34 H SER 34 6.855 5.339 -2.087 217 HA SER 34 HA SER 34 8.755 6.996 -0.837 218 HB2 SER 34 1HB SER 34 7.096 5.502 0.330 219 HB3 SER 34 2HB SER 34 8.120 4.131 -0.098 220 HG SER 34 HG SER 34 8.772 6.338 1.557 221 H HIS 35 H HIS 35 9.065 3.845 -2.428 222 HA HIS 35 HA HIS 35 11.655 3.181 -1.858 223 HB2 HIS 35 1HB HIS 35 9.978 2.811 -4.315 224 HB3 HIS 35 2HB HIS 35 11.664 2.301 -4.327 225 HD1 HIS 35 HD1 HIS 35 12.275 0.594 -2.245 226 HD2 HIS 35 HD2 HIS 35 8.288 0.922 -3.369 227 HE1 HIS 35 HE1 HIS 35 11.143 -1.451 -1.316 228 H SER 36 H SER 36 10.696 5.033 -4.756 229 HA SER 36 HA SER 36 13.323 6.365 -4.644 230 HB2 SER 36 1HB SER 36 11.836 5.188 -6.961 231 HB3 SER 36 2HB SER 36 12.879 6.584 -7.231 232 HG SER 36 HG SER 36 13.785 4.291 -5.852 233 H GLY 37 H GLY 37 12.877 8.327 -3.829 234 HA2 GLY 37 1HA GLY 37 11.099 10.050 -5.371 235 HA3 GLY 37 2HA GLY 37 10.690 9.824 -3.677 236 H GLU 38 H GLU 38 11.155 11.710 -2.728 237 HA GLU 38 HA GLU 38 13.303 13.392 -3.527 238 HB2 GLU 38 1HB GLU 38 11.421 13.377 -1.185 239 HB3 GLU 38 2HB GLU 38 12.753 14.521 -1.263 240 HG2 GLU 38 1HG GLU 38 10.500 15.319 -2.092 241 HG3 GLU 38 2HG GLU 38 11.882 15.585 -3.154 242 H LYS 39 H LYS 39 15.382 13.206 -3.060 243 HA LYS 39 HA LYS 39 16.292 12.379 -0.464 244 HB2 LYS 39 1HB LYS 39 17.707 10.508 -1.365 245 HB3 LYS 39 2HB LYS 39 15.981 10.176 -1.334 246 HG2 LYS 39 1HG LYS 39 16.471 9.405 -3.410 247 HG3 LYS 39 2HG LYS 39 16.123 11.089 -3.809 248 HD2 LYS 39 1HD LYS 39 18.685 11.405 -3.357 249 HD3 LYS 39 2HD LYS 39 18.747 9.669 -3.669 250 HE2 LYS 39 1HE LYS 39 19.139 10.661 -5.755 251 HE3 LYS 39 2HE LYS 39 17.443 10.181 -5.802 252 HZ1 LYS 39 3HZ LYS 39 18.618 12.848 -5.747 253 HZ2 LYS 39 1HZ LYS 39 17.183 12.636 -4.877 254 HZ3 LYS 39 2HZ LYS 39 17.226 12.294 -6.532 255 HA PRO 40 HA PRO 40 19.587 15.063 -1.590 256 HB2 PRO 40 1HB PRO 40 21.486 14.223 0.159 257 HB3 PRO 40 2HB PRO 40 20.078 15.171 0.652 258 HG2 PRO 40 1HG PRO 40 20.529 12.216 0.829 259 HG3 PRO 40 2HG PRO 40 19.818 13.313 2.027 260 HD2 PRO 40 1HD PRO 40 18.313 11.731 0.427 261 HD3 PRO 40 2HD PRO 40 17.763 13.324 0.983 262 H SER 41 H SER 41 20.663 11.707 -1.013 263 HA SER 41 HA SER 41 22.272 11.900 -3.473 264 HB2 SER 41 1HB SER 41 24.060 10.686 -2.468 265 HB3 SER 41 2HB SER 41 23.623 11.951 -1.320 266 HG SER 41 HG SER 41 23.788 9.430 -0.801 267 H GLY 42 H GLY 42 22.347 10.090 -4.786 268 HA2 GLY 42 1HA GLY 42 21.508 7.513 -4.147 269 HA3 GLY 42 2HA GLY 42 20.089 8.382 -4.711 270 HA PRO 43 HA PRO 43 22.034 6.525 -8.439 271 HB2 PRO 43 1HB PRO 43 19.671 5.922 -9.633 272 HB3 PRO 43 2HB PRO 43 20.449 4.862 -8.453 273 HG2 PRO 43 1HG PRO 43 18.211 6.811 -8.063 274 HG3 PRO 43 2HG PRO 43 18.384 5.165 -7.427 275 HD2 PRO 43 1HD PRO 43 18.900 7.364 -5.935 276 HD3 PRO 43 2HD PRO 43 19.777 5.836 -5.718 277 H SER 44 H SER 44 19.851 9.108 -7.827 278 HA SER 44 HA SER 44 19.130 10.118 -10.240 279 HB2 SER 44 1HB SER 44 18.950 11.099 -7.787 280 HB3 SER 44 2HB SER 44 20.348 12.043 -8.302 281 HG SER 44 HG SER 44 19.119 12.846 -10.015 282 H SER 45 H SER 45 20.074 11.965 -11.483 283 HA SER 45 HA SER 45 22.994 11.664 -11.754 284 HB2 SER 45 1HB SER 45 22.696 12.021 -14.195 285 HB3 SER 45 2HB SER 45 21.896 10.557 -13.625 286 HG SER 45 HG SER 45 19.933 11.694 -13.641 287 H GLY 46 H GLY 46 23.477 13.497 -10.554 288 HA2 GLY 46 1HA GLY 46 23.900 15.729 -10.227 289 HA3 GLY 46 2HA GLY 46 23.574 15.937 -11.941 Start of MODEL 5 1 H1 GLY 1 H GLY 1 23.980 -16.065 2.241 2 HA2 GLY 1 1HA GLY 1 22.762 -17.912 1.610 3 HA3 GLY 1 2HA GLY 1 22.171 -18.004 3.263 4 H SER 2 H SER 2 20.756 -18.412 0.718 5 HA SER 2 HA SER 2 19.059 -16.180 0.238 6 HB2 SER 2 1HB SER 2 19.450 -17.938 -1.450 7 HB3 SER 2 2HB SER 2 18.614 -19.103 -0.424 8 HG SER 2 HG SER 2 17.528 -16.797 -1.667 9 H SER 3 H SER 3 16.742 -16.113 0.624 10 HA SER 3 HA SER 3 15.791 -17.705 2.885 11 HB2 SER 3 1HB SER 3 14.933 -15.650 4.009 12 HB3 SER 3 2HB SER 3 16.694 -15.721 3.947 13 HG SER 3 HG SER 3 15.470 -13.687 3.281 14 H GLY 4 H GLY 4 13.586 -18.024 2.932 15 HA2 GLY 4 1HA GLY 4 11.965 -16.639 0.912 16 HA3 GLY 4 2HA GLY 4 12.028 -18.395 0.884 17 H SER 5 H SER 5 11.231 -15.648 2.984 18 HA SER 5 HA SER 5 9.260 -17.373 4.334 19 HB2 SER 5 1HB SER 5 10.546 -14.864 5.435 20 HB3 SER 5 2HB SER 5 9.486 -15.976 6.301 21 HG SER 5 HG SER 5 12.040 -16.096 6.280 22 H SER 6 H SER 6 7.215 -16.944 3.879 23 HA SER 6 HA SER 6 6.469 -14.181 3.183 24 HB2 SER 6 1HB SER 6 4.831 -15.095 1.571 25 HB3 SER 6 2HB SER 6 6.485 -15.531 1.144 26 HG SER 6 HG SER 6 5.504 -17.432 1.015 27 H GLY 7 H GLY 7 5.316 -13.455 4.855 28 HA2 GLY 7 1HA GLY 7 3.830 -15.157 6.597 29 HA3 GLY 7 2HA GLY 7 3.821 -13.399 6.605 30 H SER 8 H SER 8 2.845 -12.768 4.149 31 HA SER 8 HA SER 8 0.078 -13.657 4.400 32 HB2 SER 8 1HB SER 8 1.304 -11.413 2.779 33 HB3 SER 8 2HB SER 8 -0.422 -11.762 2.874 34 HG SER 8 HG SER 8 0.180 -11.600 5.319 35 H GLY 9 H GLY 9 -1.125 -13.725 2.182 36 HA2 GLY 9 1HA GLY 9 0.350 -15.659 0.532 37 HA3 GLY 9 2HA GLY 9 -1.399 -15.507 0.616 38 H GLU 10 H GLU 10 -2.400 -13.675 -0.428 39 HA GLU 10 HA GLU 10 -0.752 -12.210 -2.335 40 HB2 GLU 10 1HB GLU 10 -1.521 -14.349 -3.431 41 HB3 GLU 10 2HB GLU 10 -3.170 -13.765 -3.258 42 HG2 GLU 10 1HG GLU 10 -2.464 -11.735 -4.571 43 HG3 GLU 10 2HG GLU 10 -0.960 -12.587 -4.915 44 H LYS 11 H LYS 11 -1.757 -10.337 -3.181 45 HA LYS 11 HA LYS 11 -4.300 -9.583 -1.911 46 HB2 LYS 11 1HB LYS 11 -1.668 -8.202 -1.780 47 HB3 LYS 11 2HB LYS 11 -3.100 -7.194 -1.944 48 HG2 LYS 11 1HG LYS 11 -4.041 -8.142 0.073 49 HG3 LYS 11 2HG LYS 11 -2.672 -9.247 0.219 50 HD2 LYS 11 1HD LYS 11 -1.158 -7.384 0.536 51 HD3 LYS 11 2HD LYS 11 -2.472 -6.235 0.272 52 HE2 LYS 11 1HE LYS 11 -3.594 -7.509 2.256 53 HE3 LYS 11 2HE LYS 11 -1.944 -8.017 2.612 54 HZ1 LYS 11 3HZ LYS 11 -2.971 -5.237 2.472 55 HZ2 LYS 11 1HZ LYS 11 -1.329 -5.625 2.597 56 HZ3 LYS 11 2HZ LYS 11 -2.394 -6.049 3.840 57 HA PRO 12 HA PRO 12 -5.581 -8.077 -5.827 58 HB2 PRO 12 1HB PRO 12 -6.977 -5.843 -5.171 59 HB3 PRO 12 2HB PRO 12 -7.568 -7.476 -4.843 60 HG2 PRO 12 1HG PRO 12 -6.220 -5.544 -2.996 61 HG3 PRO 12 2HG PRO 12 -7.622 -6.586 -2.695 62 HD2 PRO 12 1HD PRO 12 -5.129 -7.216 -1.846 63 HD3 PRO 12 2HD PRO 12 -6.315 -8.448 -2.321 64 H PHE 13 H PHE 13 -3.758 -5.946 -3.761 65 HA PHE 13 HA PHE 13 -2.504 -4.751 -6.090 66 HB2 PHE 13 1HB PHE 13 -3.878 -3.067 -3.985 67 HB3 PHE 13 2HB PHE 13 -2.822 -2.442 -5.248 68 HD1 PHE 13 HD2 PHE 13 -6.031 -4.167 -4.627 69 HD2 PHE 13 HD1 PHE 13 -3.633 -2.019 -7.412 70 HE1 PHE 13 HE2 PHE 13 -7.962 -3.979 -6.140 71 HE2 PHE 13 HE1 PHE 13 -5.560 -1.827 -8.929 72 HZ PHE 13 HZ PHE 13 -7.728 -2.809 -8.295 73 H LYS 14 H LYS 14 -0.408 -4.991 -5.735 74 HA LYS 14 HA LYS 14 0.657 -4.383 -3.066 75 HB2 LYS 14 1HB LYS 14 2.288 -6.277 -3.393 76 HB3 LYS 14 2HB LYS 14 0.623 -6.764 -3.104 77 HG2 LYS 14 1HG LYS 14 0.299 -7.373 -5.350 78 HG3 LYS 14 2HG LYS 14 1.763 -6.535 -5.871 79 HD2 LYS 14 1HD LYS 14 2.554 -8.675 -5.841 80 HD3 LYS 14 2HD LYS 14 2.888 -8.227 -4.167 81 HE2 LYS 14 1HE LYS 14 1.854 -10.374 -4.142 82 HE3 LYS 14 2HE LYS 14 0.668 -9.209 -3.554 83 HZ1 LYS 14 3HZ LYS 14 0.129 -11.011 -5.418 84 HZ2 LYS 14 1HZ LYS 14 0.641 -9.741 -6.413 85 HZ3 LYS 14 2HZ LYS 14 -0.647 -9.510 -5.341 86 H CYS 15 H CYS 15 3.005 -3.942 -3.086 87 HA CYS 15 HA CYS 15 3.660 -2.090 -5.129 88 HB2 CYS 15 1HB CYS 15 4.450 -1.926 -2.772 89 HB3 CYS 15 2HB CYS 15 5.497 -3.312 -3.060 90 H GLU 16 H GLU 16 5.368 -2.162 -6.650 91 HA GLU 16 HA GLU 16 5.808 -4.835 -7.728 92 HB2 GLU 16 1HB GLU 16 6.113 -3.857 -9.776 93 HB3 GLU 16 2HB GLU 16 5.097 -2.637 -9.020 94 HG2 GLU 16 1HG GLU 16 7.005 -1.271 -8.526 95 HG3 GLU 16 2HG GLU 16 8.102 -2.527 -9.095 96 H GLU 17 H GLU 17 7.500 -2.318 -6.078 97 HA GLU 17 HA GLU 17 10.139 -3.094 -6.832 98 HB2 GLU 17 1HB GLU 17 9.021 -1.370 -4.635 99 HB3 GLU 17 2HB GLU 17 10.738 -1.738 -4.724 100 HG2 GLU 17 1HG GLU 17 10.334 0.387 -5.748 101 HG3 GLU 17 2HG GLU 17 10.796 -0.773 -6.992 102 H CYS 18 H CYS 18 8.461 -3.372 -3.693 103 HA CYS 18 HA CYS 18 10.203 -5.643 -3.043 104 HB2 CYS 18 1HB CYS 18 9.286 -5.275 -0.702 105 HB3 CYS 18 2HB CYS 18 10.304 -3.990 -1.343 106 H GLY 19 H GLY 19 6.784 -4.664 -2.756 107 HA2 GLY 19 1HA GLY 19 5.207 -6.332 -3.786 108 HA3 GLY 19 2HA GLY 19 6.077 -7.532 -2.842 109 H LYS 20 H LYS 20 5.575 -4.450 -1.399 110 HA LYS 20 HA LYS 20 4.423 -5.298 0.914 111 HB2 LYS 20 1HB LYS 20 5.109 -2.886 -0.009 112 HB3 LYS 20 2HB LYS 20 3.365 -2.745 -0.186 113 HG2 LYS 20 1HG LYS 20 3.554 -1.948 1.920 114 HG3 LYS 20 2HG LYS 20 3.435 -3.666 2.308 115 HD2 LYS 20 1HD LYS 20 6.075 -2.293 1.865 116 HD3 LYS 20 2HD LYS 20 5.294 -2.350 3.447 117 HE2 LYS 20 1HE LYS 20 5.254 -4.819 3.291 118 HE3 LYS 20 2HE LYS 20 6.128 -4.711 1.764 119 HZ1 LYS 20 3HZ LYS 20 7.104 -4.441 4.463 120 HZ2 LYS 20 1HZ LYS 20 7.666 -3.241 3.411 121 HZ3 LYS 20 2HZ LYS 20 7.930 -4.872 3.051 122 H GLY 21 H GLY 21 2.174 -4.944 1.735 123 HA2 GLY 21 1HA GLY 21 0.266 -6.000 -0.244 124 HA3 GLY 21 2HA GLY 21 0.151 -6.223 1.496 125 H PHE 22 H PHE 22 -1.551 -4.948 -0.775 126 HA PHE 22 HA PHE 22 -2.499 -2.752 0.890 127 HB2 PHE 22 1HB PHE 22 -1.927 -2.359 -2.053 128 HB3 PHE 22 2HB PHE 22 -2.553 -1.156 -0.930 129 HD1 PHE 22 HD1 PHE 22 -1.007 -0.754 1.186 130 HD2 PHE 22 HD2 PHE 22 0.308 -2.305 -2.553 131 HE1 PHE 22 HE1 PHE 22 1.290 -0.037 1.700 132 HE2 PHE 22 HE2 PHE 22 2.607 -1.592 -2.044 133 HZ PHE 22 HZ PHE 22 3.101 -0.457 0.085 134 H TYR 23 H TYR 23 -4.576 -1.810 -0.144 135 HA TYR 23 HA TYR 23 -6.138 -4.027 -1.297 136 HB2 TYR 23 1HB TYR 23 -7.073 -1.958 0.702 137 HB3 TYR 23 2HB TYR 23 -8.080 -3.206 -0.023 138 HD1 TYR 23 HD1 TYR 23 -6.412 -5.584 0.125 139 HD2 TYR 23 HD2 TYR 23 -6.909 -2.451 2.961 140 HE1 TYR 23 HE1 TYR 23 -5.799 -7.133 1.935 141 HE2 TYR 23 HE2 TYR 23 -6.296 -3.991 4.778 142 HH TYR 23 HH TYR 23 -4.813 -6.913 4.291 143 H THR 24 H THR 24 -5.422 -0.625 -1.287 144 HA THR 24 HA THR 24 -7.167 -0.282 -3.639 145 HB THR 24 HB THR 24 -7.396 2.086 -3.059 146 HG1 THR 24 HG1 THR 24 -5.310 1.957 -1.754 147 HG21 THR 24 3HG2 THR 24 -8.386 1.449 -0.569 148 HG22 THR 24 1HG2 THR 24 -8.374 -0.106 -1.400 149 HG23 THR 24 2HG2 THR 24 -9.245 1.259 -2.098 150 H ASN 25 H ASN 25 -6.402 1.106 -5.309 151 HA ASN 25 HA ASN 25 -3.689 0.769 -5.951 152 HB2 ASN 25 1HB ASN 25 -4.279 2.638 -7.690 153 HB3 ASN 25 2HB ASN 25 -5.031 1.051 -7.821 154 HD21 ASN 25 1HD2 ASN 25 -7.098 1.139 -8.261 155 HD22 ASN 25 2HD2 ASN 25 -8.205 2.361 -7.744 156 H SER 26 H SER 26 -5.459 3.696 -4.955 157 HA SER 26 HA SER 26 -3.522 5.586 -5.007 158 HB2 SER 26 1HB SER 26 -5.816 6.029 -4.246 159 HB3 SER 26 2HB SER 26 -5.489 5.168 -2.742 160 HG SER 26 HG SER 26 -3.608 6.868 -2.787 161 H GLN 27 H GLN 27 -4.062 3.357 -2.280 162 HA GLN 27 HA GLN 27 -1.909 4.210 -0.713 163 HB2 GLN 27 1HB GLN 27 -3.534 1.708 -0.862 164 HB3 GLN 27 2HB GLN 27 -2.072 1.708 0.117 165 HG2 GLN 27 1HG GLN 27 -4.172 2.224 1.356 166 HG3 GLN 27 2HG GLN 27 -2.901 3.435 1.511 167 HE21 GLN 27 1HE2 GLN 27 -6.117 3.000 1.028 168 HE22 GLN 27 2HE2 GLN 27 -6.505 4.506 0.275 169 H CYS 28 H CYS 28 -2.068 1.264 -2.725 170 HA CYS 28 HA CYS 28 0.463 0.349 -2.554 171 HB2 CYS 28 1HB CYS 28 -1.136 -0.805 -3.921 172 HB3 CYS 28 2HB CYS 28 -1.257 0.557 -5.029 173 HG CYS 28 HG CYS 28 1.766 0.049 -5.361 174 H TYR 29 H TYR 29 -0.591 3.118 -4.465 175 HA TYR 29 HA TYR 29 1.947 3.556 -5.698 176 HB2 TYR 29 1HB TYR 29 -0.375 4.351 -6.492 177 HB3 TYR 29 2HB TYR 29 -0.168 5.667 -5.341 178 HD1 TYR 29 HD2 TYR 29 2.355 6.736 -5.554 179 HD2 TYR 29 HD1 TYR 29 0.118 4.893 -8.670 180 HE1 TYR 29 HE2 TYR 29 3.651 7.996 -7.222 181 HE2 TYR 29 HE1 TYR 29 1.409 6.147 -10.346 182 HH TYR 29 HH TYR 29 3.978 8.404 -9.375 183 H SER 30 H SER 30 0.230 5.050 -2.974 184 HA SER 30 HA SER 30 1.937 7.084 -2.314 185 HB2 SER 30 1HB SER 30 0.401 5.222 -0.495 186 HB3 SER 30 2HB SER 30 1.227 6.671 0.079 187 HG SER 30 HG SER 30 -0.940 6.491 -1.733 188 H HIS 31 H HIS 31 2.203 3.691 -1.286 189 HA HIS 31 HA HIS 31 4.568 4.014 0.214 190 HB2 HIS 31 1HB HIS 31 3.505 2.031 0.718 191 HB3 HIS 31 2HB HIS 31 3.104 1.695 -0.963 192 HD1 HIS 31 HD1 HIS 31 5.736 1.160 1.602 193 HD2 HIS 31 HD2 HIS 31 5.152 0.422 -2.445 194 HE1 HIS 31 HE1 HIS 31 7.550 -0.452 0.944 195 H GLN 32 H GLN 32 4.057 2.853 -3.112 196 HA GLN 32 HA GLN 32 6.528 2.190 -3.936 197 HB2 GLN 32 1HB GLN 32 4.268 2.598 -5.257 198 HB3 GLN 32 2HB GLN 32 5.067 4.101 -5.701 199 HG2 GLN 32 1HG GLN 32 6.936 2.851 -6.627 200 HG3 GLN 32 2HG GLN 32 6.169 1.336 -6.153 201 HE21 GLN 32 1HE2 GLN 32 5.387 0.341 -7.857 202 HE22 GLN 32 2HE2 GLN 32 4.561 1.078 -9.183 203 H ARG 33 H ARG 33 5.348 5.555 -4.116 204 HA ARG 33 HA ARG 33 7.542 6.878 -4.945 205 HB2 ARG 33 1HB ARG 33 5.468 7.583 -2.909 206 HB3 ARG 33 2HB ARG 33 6.827 8.671 -3.153 207 HG2 ARG 33 1HG ARG 33 6.230 8.654 -5.610 208 HG3 ARG 33 2HG ARG 33 4.732 7.849 -5.138 209 HD2 ARG 33 1HD ARG 33 4.025 10.015 -5.085 210 HD3 ARG 33 2HD ARG 33 4.613 9.862 -3.430 211 HE ARG 33 HE ARG 33 6.784 10.747 -4.780 212 HH11 ARG 33 1HH1 ARG 33 3.492 11.856 -4.544 213 HH12 ARG 33 2HH1 ARG 33 3.899 13.523 -4.782 214 HH21 ARG 33 1HH2 ARG 33 7.333 12.938 -5.094 215 HH22 ARG 33 2HH2 ARG 33 6.084 14.138 -5.096 216 H SER 34 H SER 34 6.964 5.872 -1.585 217 HA SER 34 HA SER 34 9.067 6.919 -0.256 218 HB2 SER 34 1HB SER 34 7.405 5.411 0.771 219 HB3 SER 34 2HB SER 34 8.167 4.036 -0.028 220 HG SER 34 HG SER 34 8.785 5.023 2.302 221 H HIS 35 H HIS 35 9.208 3.937 -2.192 222 HA HIS 35 HA HIS 35 11.799 3.173 -1.819 223 HB2 HIS 35 1HB HIS 35 9.994 3.061 -4.205 224 HB3 HIS 35 2HB HIS 35 11.669 2.543 -4.368 225 HD1 HIS 35 HD1 HIS 35 12.233 0.871 -2.030 226 HD2 HIS 35 HD2 HIS 35 8.484 0.867 -3.821 227 HE1 HIS 35 HE1 HIS 35 11.169 -1.306 -1.357 228 H SER 36 H SER 36 13.508 4.487 -1.726 229 HA SER 36 HA SER 36 13.807 6.927 -3.037 230 HB2 SER 36 1HB SER 36 15.189 6.444 -1.139 231 HB3 SER 36 2HB SER 36 15.872 5.020 -1.924 232 HG SER 36 HG SER 36 17.129 6.265 -3.135 233 H GLY 37 H GLY 37 14.758 7.570 -4.931 234 HA2 GLY 37 1HA GLY 37 15.526 5.404 -6.791 235 HA3 GLY 37 2HA GLY 37 14.597 6.807 -7.297 236 H GLU 38 H GLU 38 17.403 6.732 -5.145 237 HA GLU 38 HA GLU 38 18.690 8.751 -6.780 238 HB2 GLU 38 1HB GLU 38 19.510 7.464 -4.171 239 HB3 GLU 38 2HB GLU 38 20.398 8.757 -4.966 240 HG2 GLU 38 1HG GLU 38 18.406 10.200 -4.768 241 HG3 GLU 38 2HG GLU 38 17.595 8.910 -3.881 242 H LYS 39 H LYS 39 20.982 8.552 -7.372 243 HA LYS 39 HA LYS 39 21.976 5.833 -7.708 244 HB2 LYS 39 1HB LYS 39 20.530 6.633 -9.728 245 HB3 LYS 39 2HB LYS 39 21.934 7.618 -10.118 246 HG2 LYS 39 1HG LYS 39 22.114 5.623 -11.375 247 HG3 LYS 39 2HG LYS 39 23.302 5.517 -10.074 248 HD2 LYS 39 1HD LYS 39 22.365 3.433 -9.928 249 HD3 LYS 39 2HD LYS 39 21.311 4.318 -8.822 250 HE2 LYS 39 1HE LYS 39 19.922 3.004 -10.246 251 HE3 LYS 39 2HE LYS 39 19.750 4.687 -10.742 252 HZ1 LYS 39 3HZ LYS 39 20.571 4.240 -12.749 253 HZ2 LYS 39 1HZ LYS 39 20.327 2.606 -12.383 254 HZ3 LYS 39 2HZ LYS 39 21.845 3.310 -12.138 255 HA PRO 40 HA PRO 40 25.727 7.953 -6.715 256 HB2 PRO 40 1HB PRO 40 27.436 5.910 -7.240 257 HB3 PRO 40 2HB PRO 40 26.418 5.963 -5.796 258 HG2 PRO 40 1HG PRO 40 25.991 4.480 -8.361 259 HG3 PRO 40 2HG PRO 40 25.740 3.928 -6.695 260 HD2 PRO 40 1HD PRO 40 23.704 4.750 -8.279 261 HD3 PRO 40 2HD PRO 40 23.699 4.983 -6.520 262 H SER 41 H SER 41 27.491 8.904 -7.744 263 HA SER 41 HA SER 41 27.250 9.142 -10.608 264 HB2 SER 41 1HB SER 41 29.047 10.835 -10.374 265 HB3 SER 41 2HB SER 41 27.697 11.140 -9.281 266 HG SER 41 HG SER 41 30.110 9.820 -8.574 267 H GLY 42 H GLY 42 29.531 7.755 -8.307 268 HA2 GLY 42 1HA GLY 42 31.250 6.874 -10.515 269 HA3 GLY 42 2HA GLY 42 31.667 6.839 -8.809 270 HA PRO 43 HA PRO 43 30.810 2.524 -8.898 271 HB2 PRO 43 1HB PRO 43 30.577 2.104 -6.226 272 HB3 PRO 43 2HB PRO 43 32.130 2.381 -7.023 273 HG2 PRO 43 1HG PRO 43 30.411 4.304 -5.505 274 HG3 PRO 43 2HG PRO 43 32.171 4.093 -5.451 275 HD2 PRO 43 1HD PRO 43 30.984 6.077 -6.861 276 HD3 PRO 43 2HD PRO 43 32.503 5.315 -7.376 277 H SER 44 H SER 44 29.009 1.357 -9.183 278 HA SER 44 HA SER 44 26.474 2.470 -8.232 279 HB2 SER 44 1HB SER 44 25.465 0.842 -9.865 280 HB3 SER 44 2HB SER 44 26.513 2.055 -10.600 281 HG SER 44 HG SER 44 27.651 0.469 -11.344 282 H SER 45 H SER 45 25.444 1.604 -6.565 283 HA SER 45 HA SER 45 26.366 -0.951 -5.497 284 HB2 SER 45 1HB SER 45 26.246 0.740 -3.834 285 HB3 SER 45 2HB SER 45 24.649 1.261 -4.370 286 HG SER 45 HG SER 45 25.304 -0.645 -2.583 287 H GLY 46 H GLY 46 25.046 -2.723 -5.163 288 HA2 GLY 46 1HA GLY 46 22.282 -2.847 -5.439 289 HA3 GLY 46 2HA GLY 46 22.956 -3.115 -7.039 Start of MODEL 6 1 H1 GLY 1 H GLY 1 18.109 -9.573 -6.326 2 HA2 GLY 1 1HA GLY 1 15.850 -10.946 -5.336 3 HA3 GLY 1 2HA GLY 1 17.373 -11.685 -5.807 4 H SER 2 H SER 2 16.285 -12.950 -3.835 5 HA SER 2 HA SER 2 18.078 -12.614 -1.663 6 HB2 SER 2 1HB SER 2 16.407 -12.120 0.099 7 HB3 SER 2 2HB SER 2 16.572 -10.793 -1.051 8 HG SER 2 HG SER 2 14.710 -12.187 -2.089 9 H SER 3 H SER 3 17.296 -14.082 0.257 10 HA SER 3 HA SER 3 15.870 -16.422 -0.800 11 HB2 SER 3 1HB SER 3 18.303 -16.828 -1.021 12 HB3 SER 3 2HB SER 3 18.493 -16.549 0.711 13 HG SER 3 HG SER 3 18.316 -18.739 0.409 14 H GLY 4 H GLY 4 15.197 -17.944 0.923 15 HA2 GLY 4 1HA GLY 4 14.374 -18.445 3.029 16 HA3 GLY 4 2HA GLY 4 15.186 -17.014 3.647 17 H SER 5 H SER 5 12.232 -18.393 3.052 18 HA SER 5 HA SER 5 10.085 -17.643 3.121 19 HB2 SER 5 1HB SER 5 11.612 -15.540 4.574 20 HB3 SER 5 2HB SER 5 9.953 -15.161 4.110 21 HG SER 5 HG SER 5 10.156 -16.163 6.200 22 H SER 6 H SER 6 11.346 -17.417 0.667 23 HA SER 6 HA SER 6 11.142 -14.871 -0.525 24 HB2 SER 6 1HB SER 6 10.969 -17.612 -1.801 25 HB3 SER 6 2HB SER 6 11.211 -16.098 -2.673 26 HG SER 6 HG SER 6 13.079 -17.595 -1.757 27 H GLY 7 H GLY 7 8.881 -17.608 -0.400 28 HA2 GLY 7 1HA GLY 7 6.867 -16.472 -1.998 29 HA3 GLY 7 2HA GLY 7 6.624 -17.731 -0.796 30 H SER 8 H SER 8 4.833 -15.575 -1.411 31 HA SER 8 HA SER 8 4.493 -14.541 1.274 32 HB2 SER 8 1HB SER 8 4.383 -12.209 0.641 33 HB3 SER 8 2HB SER 8 5.941 -12.854 0.124 34 HG SER 8 HG SER 8 4.804 -13.210 -1.968 35 H GLY 9 H GLY 9 2.390 -13.404 1.520 36 HA2 GLY 9 1HA GLY 9 0.305 -14.920 0.366 37 HA3 GLY 9 2HA GLY 9 0.102 -13.464 1.328 38 H GLU 10 H GLU 10 -1.667 -13.785 -0.619 39 HA GLU 10 HA GLU 10 -0.715 -12.127 -2.857 40 HB2 GLU 10 1HB GLU 10 -2.100 -13.246 -4.273 41 HB3 GLU 10 2HB GLU 10 -1.899 -14.515 -3.074 42 HG2 GLU 10 1HG GLU 10 -3.993 -13.951 -2.044 43 HG3 GLU 10 2HG GLU 10 -4.178 -12.551 -3.099 44 H LYS 11 H LYS 11 -2.101 -10.446 -3.645 45 HA LYS 11 HA LYS 11 -4.338 -9.609 -2.009 46 HB2 LYS 11 1HB LYS 11 -1.682 -8.281 -1.924 47 HB3 LYS 11 2HB LYS 11 -3.094 -7.235 -1.986 48 HG2 LYS 11 1HG LYS 11 -3.930 -8.065 0.048 49 HG3 LYS 11 2HG LYS 11 -2.826 -9.442 0.030 50 HD2 LYS 11 1HD LYS 11 -0.930 -7.955 0.354 51 HD3 LYS 11 2HD LYS 11 -1.999 -6.551 0.297 52 HE2 LYS 11 1HE LYS 11 -1.761 -6.843 2.566 53 HE3 LYS 11 2HE LYS 11 -3.226 -7.772 2.253 54 HZ1 LYS 11 3HZ LYS 11 -1.972 -9.199 3.536 55 HZ2 LYS 11 1HZ LYS 11 -0.506 -8.745 2.825 56 HZ3 LYS 11 2HZ LYS 11 -1.591 -9.723 1.973 57 HA PRO 12 HA PRO 12 -5.800 -7.848 -5.752 58 HB2 PRO 12 1HB PRO 12 -7.075 -5.606 -4.904 59 HB3 PRO 12 2HB PRO 12 -7.702 -7.233 -4.619 60 HG2 PRO 12 1HG PRO 12 -6.179 -5.440 -2.769 61 HG3 PRO 12 2HG PRO 12 -7.596 -6.451 -2.432 62 HD2 PRO 12 1HD PRO 12 -5.080 -7.201 -1.769 63 HD3 PRO 12 2HD PRO 12 -6.335 -8.370 -2.229 64 H PHE 13 H PHE 13 -3.685 -5.985 -3.747 65 HA PHE 13 HA PHE 13 -2.472 -4.754 -6.035 66 HB2 PHE 13 1HB PHE 13 -3.791 -2.951 -3.995 67 HB3 PHE 13 2HB PHE 13 -2.820 -2.433 -5.369 68 HD1 PHE 13 HD2 PHE 13 -6.004 -4.000 -4.374 69 HD2 PHE 13 HD1 PHE 13 -3.753 -2.250 -7.534 70 HE1 PHE 13 HE2 PHE 13 -8.031 -3.912 -5.766 71 HE2 PHE 13 HE1 PHE 13 -5.776 -2.159 -8.930 72 HZ PHE 13 HZ PHE 13 -7.919 -2.992 -8.047 73 H LYS 14 H LYS 14 -0.379 -4.923 -5.634 74 HA LYS 14 HA LYS 14 0.609 -4.308 -2.937 75 HB2 LYS 14 1HB LYS 14 2.290 -6.177 -3.259 76 HB3 LYS 14 2HB LYS 14 0.632 -6.677 -2.954 77 HG2 LYS 14 1HG LYS 14 1.116 -8.072 -4.672 78 HG3 LYS 14 2HG LYS 14 0.539 -6.686 -5.601 79 HD2 LYS 14 1HD LYS 14 2.884 -5.920 -5.829 80 HD3 LYS 14 2HD LYS 14 3.413 -7.384 -4.997 81 HE2 LYS 14 1HE LYS 14 1.741 -7.446 -7.497 82 HE3 LYS 14 2HE LYS 14 3.504 -7.418 -7.533 83 HZ1 LYS 14 3HZ LYS 14 1.846 -9.484 -6.190 84 HZ2 LYS 14 1HZ LYS 14 3.536 -9.461 -6.258 85 HZ3 LYS 14 2HZ LYS 14 2.636 -9.672 -7.674 86 H CYS 15 H CYS 15 2.957 -3.846 -2.900 87 HA CYS 15 HA CYS 15 3.638 -1.950 -4.879 88 HB2 CYS 15 1HB CYS 15 4.426 -1.870 -2.521 89 HB3 CYS 15 2HB CYS 15 5.461 -3.256 -2.849 90 H GLU 16 H GLU 16 5.326 -1.975 -6.415 91 HA GLU 16 HA GLU 16 5.780 -4.615 -7.569 92 HB2 GLU 16 1HB GLU 16 6.051 -3.582 -9.595 93 HB3 GLU 16 2HB GLU 16 5.028 -2.395 -8.798 94 HG2 GLU 16 1HG GLU 16 7.139 -1.194 -8.132 95 HG3 GLU 16 2HG GLU 16 7.999 -2.283 -9.218 96 H GLU 17 H GLU 17 7.459 -2.117 -5.876 97 HA GLU 17 HA GLU 17 10.099 -2.828 -6.677 98 HB2 GLU 17 1HB GLU 17 8.981 -1.210 -4.400 99 HB3 GLU 17 2HB GLU 17 10.703 -1.540 -4.530 100 HG2 GLU 17 1HG GLU 17 8.965 0.028 -6.404 101 HG3 GLU 17 2HG GLU 17 10.368 0.577 -5.490 102 H CYS 18 H CYS 18 8.415 -3.289 -3.563 103 HA CYS 18 HA CYS 18 10.209 -5.551 -3.016 104 HB2 CYS 18 1HB CYS 18 9.380 -5.281 -0.647 105 HB3 CYS 18 2HB CYS 18 10.315 -3.926 -1.271 106 H GLY 19 H GLY 19 6.789 -4.598 -2.685 107 HA2 GLY 19 1HA GLY 19 5.285 -6.339 -3.790 108 HA3 GLY 19 2HA GLY 19 6.086 -7.462 -2.700 109 H LYS 20 H LYS 20 5.760 -4.486 -1.218 110 HA LYS 20 HA LYS 20 4.306 -5.185 0.923 111 HB2 LYS 20 1HB LYS 20 5.297 -2.881 0.263 112 HB3 LYS 20 2HB LYS 20 3.696 -2.549 -0.385 113 HG2 LYS 20 1HG LYS 20 3.419 -1.702 1.696 114 HG3 LYS 20 2HG LYS 20 2.961 -3.374 2.024 115 HD2 LYS 20 1HD LYS 20 5.823 -2.569 2.283 116 HD3 LYS 20 2HD LYS 20 4.687 -2.132 3.561 117 HE2 LYS 20 1HE LYS 20 5.343 -4.166 4.344 118 HE3 LYS 20 2HE LYS 20 4.013 -4.685 3.310 119 HZ1 LYS 20 3HZ LYS 20 6.819 -5.212 3.069 120 HZ2 LYS 20 1HZ LYS 20 6.149 -4.623 1.631 121 HZ3 LYS 20 2HZ LYS 20 5.507 -6.009 2.358 122 H GLY 21 H GLY 21 2.190 -5.443 1.539 123 HA2 GLY 21 1HA GLY 21 0.313 -5.955 -0.629 124 HA3 GLY 21 2HA GLY 21 0.102 -6.396 1.059 125 H PHE 22 H PHE 22 -1.693 -5.008 -0.865 126 HA PHE 22 HA PHE 22 -2.498 -2.879 0.933 127 HB2 PHE 22 1HB PHE 22 -1.980 -2.318 -1.995 128 HB3 PHE 22 2HB PHE 22 -2.651 -1.185 -0.826 129 HD1 PHE 22 HD1 PHE 22 -1.184 -0.592 1.197 130 HD2 PHE 22 HD2 PHE 22 0.306 -2.419 -2.347 131 HE1 PHE 22 HE1 PHE 22 1.086 0.168 1.764 132 HE2 PHE 22 HE2 PHE 22 2.579 -1.663 -1.785 133 HZ PHE 22 HZ PHE 22 2.972 -0.369 0.273 134 H TYR 23 H TYR 23 -4.542 -1.752 -0.243 135 HA TYR 23 HA TYR 23 -6.204 -3.918 -1.342 136 HB2 TYR 23 1HB TYR 23 -7.027 -1.906 0.761 137 HB3 TYR 23 2HB TYR 23 -8.102 -3.071 -0.003 138 HD1 TYR 23 HD1 TYR 23 -6.479 -5.510 -0.014 139 HD2 TYR 23 HD2 TYR 23 -6.902 -2.533 2.996 140 HE1 TYR 23 HE1 TYR 23 -5.901 -7.173 1.704 141 HE2 TYR 23 HE2 TYR 23 -6.324 -4.187 4.722 142 HH TYR 23 HH TYR 23 -6.519 -6.866 4.840 143 H THR 24 H THR 24 -5.496 -0.499 -1.150 144 HA THR 24 HA THR 24 -7.267 -0.036 -3.462 145 HB THR 24 HB THR 24 -7.265 2.367 -2.781 146 HG1 THR 24 HG1 THR 24 -5.774 2.850 -1.355 147 HG21 THR 24 3HG2 THR 24 -8.261 0.842 -0.422 148 HG22 THR 24 1HG2 THR 24 -8.934 0.473 -2.010 149 HG23 THR 24 2HG2 THR 24 -9.051 2.109 -1.361 150 H ASN 25 H ASN 25 -6.375 0.647 -5.311 151 HA ASN 25 HA ASN 25 -3.732 0.484 -5.926 152 HB2 ASN 25 1HB ASN 25 -4.263 2.160 -7.796 153 HB3 ASN 25 2HB ASN 25 -5.234 0.692 -7.732 154 HD21 ASN 25 1HD2 ASN 25 -7.386 0.815 -7.170 155 HD22 ASN 25 2HD2 ASN 25 -8.245 2.312 -7.092 156 H SER 26 H SER 26 -5.429 3.515 -5.119 157 HA SER 26 HA SER 26 -3.386 5.310 -5.258 158 HB2 SER 26 1HB SER 26 -5.780 5.787 -4.618 159 HB3 SER 26 2HB SER 26 -5.375 5.273 -2.981 160 HG SER 26 HG SER 26 -3.919 7.287 -4.327 161 H GLN 27 H GLN 27 -4.137 3.222 -2.483 162 HA GLN 27 HA GLN 27 -2.104 4.138 -0.788 163 HB2 GLN 27 1HB GLN 27 -3.748 1.656 -0.960 164 HB3 GLN 27 2HB GLN 27 -2.340 1.648 0.095 165 HG2 GLN 27 1HG GLN 27 -4.262 3.905 0.307 166 HG3 GLN 27 2HG GLN 27 -4.713 2.338 0.978 167 HE21 GLN 27 1HE2 GLN 27 -3.022 5.203 1.480 168 HE22 GLN 27 2HE2 GLN 27 -2.195 4.758 2.930 169 H CYS 28 H CYS 28 -2.141 1.248 -2.878 170 HA CYS 28 HA CYS 28 0.365 0.274 -2.444 171 HB2 CYS 28 1HB CYS 28 -1.145 -0.882 -3.912 172 HB3 CYS 28 2HB CYS 28 -1.152 0.461 -5.049 173 HG CYS 28 HG CYS 28 1.794 -1.094 -4.409 174 H TYR 29 H TYR 29 -0.499 2.861 -4.720 175 HA TYR 29 HA TYR 29 2.138 3.306 -5.645 176 HB2 TYR 29 1HB TYR 29 -0.135 4.056 -6.660 177 HB3 TYR 29 2HB TYR 29 0.036 5.451 -5.601 178 HD1 TYR 29 HD2 TYR 29 1.808 7.090 -5.978 179 HD2 TYR 29 HD1 TYR 29 1.307 3.760 -8.579 180 HE1 TYR 29 HE2 TYR 29 3.246 8.184 -7.647 181 HE2 TYR 29 HE1 TYR 29 2.744 4.845 -10.255 182 HH TYR 29 HH TYR 29 3.432 7.216 -10.832 183 H SER 30 H SER 30 0.171 4.887 -3.152 184 HA SER 30 HA SER 30 1.741 6.991 -2.427 185 HB2 SER 30 1HB SER 30 -0.480 6.047 -1.389 186 HB3 SER 30 2HB SER 30 0.615 5.267 -0.248 187 HG SER 30 HG SER 30 -0.269 7.602 0.054 188 H HIS 31 H HIS 31 2.154 3.618 -1.414 189 HA HIS 31 HA HIS 31 4.424 4.132 0.227 190 HB2 HIS 31 1HB HIS 31 3.431 2.150 0.837 191 HB3 HIS 31 2HB HIS 31 3.047 1.706 -0.823 192 HD1 HIS 31 HD1 HIS 31 5.611 1.299 1.807 193 HD2 HIS 31 HD2 HIS 31 5.198 0.482 -2.245 194 HE1 HIS 31 HE1 HIS 31 7.482 -0.286 1.247 195 H GLN 32 H GLN 32 4.046 2.784 -3.044 196 HA GLN 32 HA GLN 32 6.532 2.107 -3.773 197 HB2 GLN 32 1HB GLN 32 4.321 2.488 -5.180 198 HB3 GLN 32 2HB GLN 32 5.141 3.975 -5.637 199 HG2 GLN 32 1HG GLN 32 7.059 2.654 -6.418 200 HG3 GLN 32 2HG GLN 32 6.186 1.178 -6.010 201 HE21 GLN 32 1HE2 GLN 32 4.478 0.517 -7.285 202 HE22 GLN 32 2HE2 GLN 32 4.163 1.193 -8.843 203 H ARG 33 H ARG 33 5.363 5.470 -3.788 204 HA ARG 33 HA ARG 33 7.465 6.863 -4.716 205 HB2 ARG 33 1HB ARG 33 5.735 7.439 -2.320 206 HB3 ARG 33 2HB ARG 33 6.944 8.585 -2.884 207 HG2 ARG 33 1HG ARG 33 5.833 8.639 -5.080 208 HG3 ARG 33 2HG ARG 33 4.594 7.549 -4.455 209 HD2 ARG 33 1HD ARG 33 5.223 10.161 -3.116 210 HD3 ARG 33 2HD ARG 33 4.091 10.062 -4.464 211 HE ARG 33 HE ARG 33 3.564 8.239 -2.283 212 HH11 ARG 33 1HH1 ARG 33 2.945 11.370 -3.674 213 HH12 ARG 33 2HH1 ARG 33 1.447 11.592 -2.831 214 HH21 ARG 33 1HH2 ARG 33 1.594 8.520 -1.168 215 HH22 ARG 33 2HH2 ARG 33 0.681 9.971 -1.405 216 H SER 34 H SER 34 7.227 5.614 -1.395 217 HA SER 34 HA SER 34 9.455 6.563 -0.210 218 HB2 SER 34 1HB SER 34 7.972 5.008 0.927 219 HB3 SER 34 2HB SER 34 8.486 3.696 -0.133 220 HG SER 34 HG SER 34 9.833 4.910 1.992 221 H HIS 35 H HIS 35 9.397 3.773 -2.413 222 HA HIS 35 HA HIS 35 12.134 3.196 -2.333 223 HB2 HIS 35 1HB HIS 35 10.060 2.737 -4.478 224 HB3 HIS 35 2HB HIS 35 11.711 2.133 -4.598 225 HD1 HIS 35 HD1 HIS 35 12.406 0.581 -2.393 226 HD2 HIS 35 HD2 HIS 35 8.377 0.965 -3.332 227 HE1 HIS 35 HE1 HIS 35 11.262 -1.344 -1.248 228 H SER 36 H SER 36 13.848 3.739 -3.702 229 HA SER 36 HA SER 36 13.656 6.416 -4.820 230 HB2 SER 36 1HB SER 36 16.068 4.608 -4.536 231 HB3 SER 36 2HB SER 36 16.095 6.317 -4.967 232 HG SER 36 HG SER 36 14.807 6.390 -2.805 233 H GLY 37 H GLY 37 14.279 6.956 -6.950 234 HA2 GLY 37 1HA GLY 37 14.442 4.708 -8.844 235 HA3 GLY 37 2HA GLY 37 13.245 5.970 -9.093 236 H GLU 38 H GLU 38 14.689 5.775 -11.181 237 HA GLU 38 HA GLU 38 16.389 8.123 -11.143 238 HB2 GLU 38 1HB GLU 38 18.255 6.954 -12.299 239 HB3 GLU 38 2HB GLU 38 18.024 6.428 -10.638 240 HG2 GLU 38 1HG GLU 38 16.645 4.518 -11.619 241 HG3 GLU 38 2HG GLU 38 17.352 4.973 -13.168 242 H LYS 39 H LYS 39 16.332 9.224 -13.033 243 HA LYS 39 HA LYS 39 15.055 7.906 -15.337 244 HB2 LYS 39 1HB LYS 39 14.560 10.677 -14.245 245 HB3 LYS 39 2HB LYS 39 14.047 10.170 -15.849 246 HG2 LYS 39 1HG LYS 39 12.135 9.793 -14.670 247 HG3 LYS 39 2HG LYS 39 12.910 8.215 -14.514 248 HD2 LYS 39 1HD LYS 39 12.359 8.599 -12.327 249 HD3 LYS 39 2HD LYS 39 13.963 9.336 -12.366 250 HE2 LYS 39 1HE LYS 39 13.100 11.497 -12.407 251 HE3 LYS 39 2HE LYS 39 11.518 10.959 -12.967 252 HZ1 LYS 39 3HZ LYS 39 11.011 11.278 -10.807 253 HZ2 LYS 39 1HZ LYS 39 12.599 11.053 -10.267 254 HZ3 LYS 39 2HZ LYS 39 11.633 9.714 -10.635 255 HA PRO 40 HA PRO 40 18.410 9.319 -17.789 256 HB2 PRO 40 1HB PRO 40 17.182 9.749 -20.172 257 HB3 PRO 40 2HB PRO 40 17.487 8.132 -19.527 258 HG2 PRO 40 1HG PRO 40 14.970 9.752 -19.468 259 HG3 PRO 40 2HG PRO 40 15.182 8.026 -19.816 260 HD2 PRO 40 1HD PRO 40 14.348 8.935 -17.405 261 HD3 PRO 40 2HD PRO 40 15.329 7.466 -17.584 262 H SER 41 H SER 41 16.019 11.352 -16.752 263 HA SER 41 HA SER 41 15.971 13.617 -18.223 264 HB2 SER 41 1HB SER 41 16.355 13.479 -15.222 265 HB3 SER 41 2HB SER 41 15.787 14.895 -16.108 266 HG SER 41 HG SER 41 14.357 12.865 -15.201 267 H GLY 42 H GLY 42 18.448 13.057 -15.708 268 HA2 GLY 42 1HA GLY 42 20.617 13.867 -17.314 269 HA3 GLY 42 2HA GLY 42 20.058 15.247 -16.381 270 HA PRO 43 HA PRO 43 23.024 12.464 -13.935 271 HB2 PRO 43 1HB PRO 43 25.163 14.136 -13.919 272 HB3 PRO 43 2HB PRO 43 24.909 12.913 -15.169 273 HG2 PRO 43 1HG PRO 43 24.322 15.847 -15.244 274 HG3 PRO 43 2HG PRO 43 25.052 14.820 -16.492 275 HD2 PRO 43 1HD PRO 43 22.449 15.563 -16.556 276 HD3 PRO 43 2HD PRO 43 23.013 14.004 -17.191 277 H SER 44 H SER 44 21.369 15.303 -13.726 278 HA SER 44 HA SER 44 22.501 16.328 -11.283 279 HB2 SER 44 1HB SER 44 20.557 17.873 -11.321 280 HB3 SER 44 2HB SER 44 21.448 17.874 -12.843 281 HG SER 44 HG SER 44 18.871 17.092 -12.313 282 H SER 45 H SER 45 22.048 13.743 -10.781 283 HA SER 45 HA SER 45 19.641 13.756 -9.079 284 HB2 SER 45 1HB SER 45 20.847 11.532 -10.714 285 HB3 SER 45 2HB SER 45 19.788 11.195 -9.345 286 HG SER 45 HG SER 45 19.186 12.594 -11.729 287 H GLY 46 H GLY 46 20.907 14.619 -7.355 288 HA2 GLY 46 1HA GLY 46 21.993 12.642 -5.642 289 HA3 GLY 46 2HA GLY 46 23.293 13.568 -6.378 Start of MODEL 7 1 H1 GLY 1 H GLY 1 17.609 -14.193 2.545 2 HA2 GLY 1 1HA GLY 1 15.137 -13.265 2.642 3 HA3 GLY 1 2HA GLY 1 14.850 -14.764 1.771 4 H SER 2 H SER 2 13.471 -14.667 3.953 5 HA SER 2 HA SER 2 14.877 -16.470 5.785 6 HB2 SER 2 1HB SER 2 14.144 -15.313 7.745 7 HB3 SER 2 2HB SER 2 14.885 -14.104 6.696 8 HG SER 2 HG SER 2 12.544 -13.890 5.931 9 H SER 3 H SER 3 13.462 -17.805 7.061 10 HA SER 3 HA SER 3 11.294 -18.839 5.602 11 HB2 SER 3 1HB SER 3 12.566 -20.217 7.168 12 HB3 SER 3 2HB SER 3 12.010 -19.228 8.518 13 HG SER 3 HG SER 3 9.964 -20.003 8.244 14 H GLY 4 H GLY 4 9.047 -18.911 6.150 15 HA2 GLY 4 1HA GLY 4 7.054 -18.078 6.981 16 HA3 GLY 4 2HA GLY 4 7.977 -17.111 8.122 17 H SER 5 H SER 5 5.813 -15.960 7.052 18 HA SER 5 HA SER 5 6.979 -13.815 5.480 19 HB2 SER 5 1HB SER 5 5.946 -15.658 3.942 20 HB3 SER 5 2HB SER 5 4.405 -14.977 4.461 21 HG SER 5 HG SER 5 4.752 -13.293 3.249 22 H SER 6 H SER 6 5.390 -11.993 5.206 23 HA SER 6 HA SER 6 3.758 -11.782 7.643 24 HB2 SER 6 1HB SER 6 5.697 -10.169 7.246 25 HB3 SER 6 2HB SER 6 4.723 -9.478 5.948 26 HG SER 6 HG SER 6 3.422 -8.599 7.376 27 H GLY 7 H GLY 7 1.939 -12.830 6.690 28 HA2 GLY 7 1HA GLY 7 -0.264 -11.760 6.049 29 HA3 GLY 7 2HA GLY 7 0.587 -11.238 4.603 30 H SER 8 H SER 8 -1.154 -13.757 6.110 31 HA SER 8 HA SER 8 -0.303 -15.907 4.447 32 HB2 SER 8 1HB SER 8 -2.857 -15.575 6.041 33 HB3 SER 8 2HB SER 8 -2.288 -17.084 5.327 34 HG SER 8 HG SER 8 -0.678 -17.184 6.775 35 H GLY 9 H GLY 9 -0.405 -15.259 2.303 36 HA2 GLY 9 1HA GLY 9 -1.991 -15.841 0.459 37 HA3 GLY 9 2HA GLY 9 -3.128 -14.769 1.263 38 H GLU 10 H GLU 10 -3.022 -13.952 -1.080 39 HA GLU 10 HA GLU 10 -0.854 -11.973 -1.324 40 HB2 GLU 10 1HB GLU 10 -0.993 -12.109 -3.658 41 HB3 GLU 10 2HB GLU 10 -1.152 -13.777 -3.127 42 HG2 GLU 10 1HG GLU 10 -3.631 -13.511 -3.311 43 HG3 GLU 10 2HG GLU 10 -3.341 -11.938 -4.053 44 H LYS 11 H LYS 11 -1.733 -10.133 -2.944 45 HA LYS 11 HA LYS 11 -4.370 -9.261 -1.985 46 HB2 LYS 11 1HB LYS 11 -1.750 -7.884 -1.702 47 HB3 LYS 11 2HB LYS 11 -3.143 -6.886 -2.098 48 HG2 LYS 11 1HG LYS 11 -4.133 -7.215 -0.076 49 HG3 LYS 11 2HG LYS 11 -3.417 -8.814 0.139 50 HD2 LYS 11 1HD LYS 11 -1.256 -7.804 0.617 51 HD3 LYS 11 2HD LYS 11 -1.928 -6.195 0.335 52 HE2 LYS 11 1HE LYS 11 -3.259 -7.933 2.345 53 HE3 LYS 11 2HE LYS 11 -1.701 -7.224 2.770 54 HZ1 LYS 11 3HZ LYS 11 -3.618 -5.849 3.432 55 HZ2 LYS 11 1HZ LYS 11 -4.040 -5.672 1.804 56 HZ3 LYS 11 2HZ LYS 11 -2.575 -5.045 2.371 57 HA PRO 12 HA PRO 12 -5.219 -8.166 -6.150 58 HB2 PRO 12 1HB PRO 12 -6.819 -5.996 -5.828 59 HB3 PRO 12 2HB PRO 12 -7.348 -7.642 -5.461 60 HG2 PRO 12 1HG PRO 12 -6.363 -5.511 -3.603 61 HG3 PRO 12 2HG PRO 12 -7.727 -6.627 -3.403 62 HD2 PRO 12 1HD PRO 12 -5.328 -7.030 -2.213 63 HD3 PRO 12 2HD PRO 12 -6.368 -8.368 -2.742 64 H PHE 13 H PHE 13 -3.499 -6.061 -4.095 65 HA PHE 13 HA PHE 13 -2.204 -4.810 -6.343 66 HB2 PHE 13 1HB PHE 13 -3.821 -3.160 -4.394 67 HB3 PHE 13 2HB PHE 13 -2.620 -2.487 -5.491 68 HD1 PHE 13 HD2 PHE 13 -5.827 -4.325 -5.356 69 HD2 PHE 13 HD1 PHE 13 -3.152 -2.009 -7.723 70 HE1 PHE 13 HE2 PHE 13 -7.539 -4.150 -7.114 71 HE2 PHE 13 HE1 PHE 13 -4.861 -1.829 -9.484 72 HZ PHE 13 HZ PHE 13 -7.057 -2.902 -9.182 73 H LYS 14 H LYS 14 -0.160 -5.195 -5.803 74 HA LYS 14 HA LYS 14 0.756 -4.349 -3.142 75 HB2 LYS 14 1HB LYS 14 2.356 -6.332 -3.234 76 HB3 LYS 14 2HB LYS 14 0.670 -6.692 -2.890 77 HG2 LYS 14 1HG LYS 14 1.075 -8.300 -4.434 78 HG3 LYS 14 2HG LYS 14 0.582 -6.998 -5.518 79 HD2 LYS 14 1HD LYS 14 2.794 -6.524 -6.136 80 HD3 LYS 14 2HD LYS 14 3.459 -7.409 -4.761 81 HE2 LYS 14 1HE LYS 14 2.734 -9.511 -5.728 82 HE3 LYS 14 2HE LYS 14 1.966 -8.657 -7.067 83 HZ1 LYS 14 3HZ LYS 14 3.919 -9.104 -8.063 84 HZ2 LYS 14 1HZ LYS 14 4.774 -9.247 -6.609 85 HZ3 LYS 14 2HZ LYS 14 4.441 -7.716 -7.247 86 H CYS 15 H CYS 15 2.835 -3.507 -3.049 87 HA CYS 15 HA CYS 15 3.768 -2.057 -5.198 88 HB2 CYS 15 1HB CYS 15 4.428 -1.714 -2.818 89 HB3 CYS 15 2HB CYS 15 5.465 -3.132 -2.937 90 H GLU 16 H GLU 16 5.349 -2.325 -6.750 91 HA GLU 16 HA GLU 16 5.908 -5.088 -7.467 92 HB2 GLU 16 1HB GLU 16 6.173 -4.364 -9.618 93 HB3 GLU 16 2HB GLU 16 5.150 -3.067 -9.016 94 HG2 GLU 16 1HG GLU 16 7.235 -1.766 -8.543 95 HG3 GLU 16 2HG GLU 16 8.131 -3.023 -9.392 96 H GLU 17 H GLU 17 7.485 -2.402 -6.032 97 HA GLU 17 HA GLU 17 10.163 -3.086 -6.725 98 HB2 GLU 17 1HB GLU 17 8.921 -1.295 -4.660 99 HB3 GLU 17 2HB GLU 17 10.651 -1.610 -4.646 100 HG2 GLU 17 1HG GLU 17 9.682 0.466 -5.892 101 HG3 GLU 17 2HG GLU 17 11.025 -0.449 -6.575 102 H CYS 18 H CYS 18 8.319 -3.448 -3.694 103 HA CYS 18 HA CYS 18 10.207 -5.565 -2.902 104 HB2 CYS 18 1HB CYS 18 9.317 -5.116 -0.572 105 HB3 CYS 18 2HB CYS 18 10.274 -3.822 -1.286 106 H GLY 19 H GLY 19 6.767 -4.656 -2.655 107 HA2 GLY 19 1HA GLY 19 5.320 -6.529 -3.643 108 HA3 GLY 19 2HA GLY 19 6.115 -7.521 -2.430 109 H LYS 20 H LYS 20 5.781 -4.499 -1.146 110 HA LYS 20 HA LYS 20 4.226 -5.036 0.964 111 HB2 LYS 20 1HB LYS 20 5.304 -2.821 0.364 112 HB3 LYS 20 2HB LYS 20 3.862 -2.469 -0.580 113 HG2 LYS 20 1HG LYS 20 2.552 -2.179 1.265 114 HG3 LYS 20 2HG LYS 20 3.521 -3.267 2.261 115 HD2 LYS 20 1HD LYS 20 5.305 -1.585 2.348 116 HD3 LYS 20 2HD LYS 20 4.322 -0.498 1.364 117 HE2 LYS 20 1HE LYS 20 4.108 0.140 3.669 118 HE3 LYS 20 2HE LYS 20 2.581 -0.559 3.131 119 HZ1 LYS 20 3HZ LYS 20 4.308 -1.413 5.221 120 HZ2 LYS 20 1HZ LYS 20 4.038 -2.668 4.120 121 HZ3 LYS 20 2HZ LYS 20 2.728 -1.905 4.870 122 H GLY 21 H GLY 21 2.087 -5.227 1.509 123 HA2 GLY 21 1HA GLY 21 0.271 -5.763 -0.712 124 HA3 GLY 21 2HA GLY 21 0.003 -6.177 0.975 125 H PHE 22 H PHE 22 -1.730 -4.803 -0.995 126 HA PHE 22 HA PHE 22 -2.495 -2.592 0.731 127 HB2 PHE 22 1HB PHE 22 -2.077 -2.168 -2.235 128 HB3 PHE 22 2HB PHE 22 -2.627 -0.969 -1.069 129 HD1 PHE 22 HD1 PHE 22 -1.032 -0.301 0.793 130 HD2 PHE 22 HD2 PHE 22 0.191 -2.460 -2.665 131 HE1 PHE 22 HE1 PHE 22 1.299 0.373 1.201 132 HE2 PHE 22 HE2 PHE 22 2.524 -1.790 -2.262 133 HZ PHE 22 HZ PHE 22 3.081 -0.372 -0.327 134 H TYR 23 H TYR 23 -4.648 -1.711 0.134 135 HA TYR 23 HA TYR 23 -6.318 -3.826 -1.055 136 HB2 TYR 23 1HB TYR 23 -6.971 -1.812 1.103 137 HB3 TYR 23 2HB TYR 23 -8.158 -2.879 0.359 138 HD1 TYR 23 HD1 TYR 23 -6.572 -5.389 0.170 139 HD2 TYR 23 HD2 TYR 23 -6.905 -2.551 3.322 140 HE1 TYR 23 HE1 TYR 23 -6.019 -7.144 1.801 141 HE2 TYR 23 HE2 TYR 23 -6.352 -4.298 4.962 142 HH TYR 23 HH TYR 23 -6.254 -7.634 4.130 143 H THR 24 H THR 24 -4.958 -1.206 -2.082 144 HA THR 24 HA THR 24 -6.936 -0.609 -4.027 145 HB THR 24 HB THR 24 -8.123 0.831 -2.726 146 HG1 THR 24 HG1 THR 24 -7.548 2.414 -4.038 147 HG21 THR 24 3HG2 THR 24 -7.366 1.927 -0.759 148 HG22 THR 24 1HG2 THR 24 -5.674 1.693 -1.195 149 HG23 THR 24 2HG2 THR 24 -6.663 0.310 -0.727 150 H ASN 25 H ASN 25 -6.216 1.055 -5.559 151 HA ASN 25 HA ASN 25 -3.477 0.793 -6.168 152 HB2 ASN 25 1HB ASN 25 -3.956 1.913 -8.119 153 HB3 ASN 25 2HB ASN 25 -5.578 1.396 -7.665 154 HD21 ASN 25 1HD2 ASN 25 -3.428 4.053 -8.065 155 HD22 ASN 25 2HD2 ASN 25 -4.583 5.308 -7.791 156 H SER 26 H SER 26 -5.352 3.456 -4.775 157 HA SER 26 HA SER 26 -3.377 5.407 -4.712 158 HB2 SER 26 1HB SER 26 -5.735 4.862 -2.916 159 HB3 SER 26 2HB SER 26 -4.666 6.237 -2.640 160 HG SER 26 HG SER 26 -6.674 6.042 -4.362 161 H GLN 27 H GLN 27 -4.084 2.846 -2.372 162 HA GLN 27 HA GLN 27 -2.147 3.640 -0.467 163 HB2 GLN 27 1HB GLN 27 -3.766 1.185 -0.959 164 HB3 GLN 27 2HB GLN 27 -2.388 1.067 0.127 165 HG2 GLN 27 1HG GLN 27 -4.305 3.291 0.548 166 HG3 GLN 27 2HG GLN 27 -4.808 1.660 0.992 167 HE21 GLN 27 1HE2 GLN 27 -3.748 0.591 2.659 168 HE22 GLN 27 2HE2 GLN 27 -2.739 1.421 3.789 169 H CYS 28 H CYS 28 -2.064 1.462 -3.234 170 HA CYS 28 HA CYS 28 0.460 0.319 -2.729 171 HB2 CYS 28 1HB CYS 28 -0.876 -0.799 -4.312 172 HB3 CYS 28 2HB CYS 28 -1.187 0.675 -5.221 173 HG CYS 28 HG CYS 28 1.907 -0.770 -5.065 174 H TYR 29 H TYR 29 -0.523 3.256 -4.400 175 HA TYR 29 HA TYR 29 2.098 3.852 -5.390 176 HB2 TYR 29 1HB TYR 29 -0.119 4.651 -6.369 177 HB3 TYR 29 2HB TYR 29 -0.162 5.820 -5.054 178 HD1 TYR 29 HD1 TYR 29 1.673 4.780 -8.082 179 HD2 TYR 29 HD2 TYR 29 1.207 7.774 -5.095 180 HE1 TYR 29 HE1 TYR 29 3.067 6.311 -9.409 181 HE2 TYR 29 HE2 TYR 29 2.600 9.314 -6.414 182 HH TYR 29 HH TYR 29 4.469 9.018 -8.218 183 H SER 30 H SER 30 0.099 5.050 -2.714 184 HA SER 30 HA SER 30 1.585 7.084 -1.713 185 HB2 SER 30 1HB SER 30 -0.492 6.386 -0.661 186 HB3 SER 30 2HB SER 30 0.249 4.877 -0.127 187 HG SER 30 HG SER 30 1.814 6.703 0.805 188 H HIS 31 H HIS 31 2.159 3.633 -1.085 189 HA HIS 31 HA HIS 31 4.516 4.117 0.466 190 HB2 HIS 31 1HB HIS 31 3.628 2.099 1.083 191 HB3 HIS 31 2HB HIS 31 3.060 1.730 -0.542 192 HD1 HIS 31 HD1 HIS 31 6.007 1.359 1.709 193 HD2 HIS 31 HD2 HIS 31 4.922 0.414 -2.188 194 HE1 HIS 31 HE1 HIS 31 7.767 -0.239 0.890 195 H GLN 32 H GLN 32 3.934 2.841 -2.806 196 HA GLN 32 HA GLN 32 6.434 2.286 -3.675 197 HB2 GLN 32 1HB GLN 32 4.041 3.438 -5.010 198 HB3 GLN 32 2HB GLN 32 5.558 3.486 -5.899 199 HG2 GLN 32 1HG GLN 32 4.717 0.922 -4.650 200 HG3 GLN 32 2HG GLN 32 3.906 1.462 -6.120 201 HE21 GLN 32 1HE2 GLN 32 4.694 0.090 -7.594 202 HE22 GLN 32 2HE2 GLN 32 6.369 -0.103 -7.969 203 H ARG 33 H ARG 33 5.148 5.444 -2.975 204 HA ARG 33 HA ARG 33 6.846 7.125 -4.332 205 HB2 ARG 33 1HB ARG 33 5.837 7.432 -1.497 206 HB3 ARG 33 2HB ARG 33 6.518 8.728 -2.472 207 HG2 ARG 33 1HG ARG 33 4.217 7.211 -3.576 208 HG3 ARG 33 2HG ARG 33 3.918 8.358 -2.269 209 HD2 ARG 33 1HD ARG 33 5.354 9.966 -3.740 210 HD3 ARG 33 2HD ARG 33 4.928 8.851 -5.037 211 HE ARG 33 HE ARG 33 2.532 9.376 -3.988 212 HH11 ARG 33 1HH1 ARG 33 5.159 11.487 -4.863 213 HH12 ARG 33 2HH1 ARG 33 4.128 12.825 -5.246 214 HH21 ARG 33 1HH2 ARG 33 1.164 11.131 -4.489 215 HH22 ARG 33 2HH2 ARG 33 1.856 12.622 -5.032 216 H SER 34 H SER 34 7.441 5.458 -1.263 217 HA SER 34 HA SER 34 9.856 6.585 -0.550 218 HB2 SER 34 1HB SER 34 8.709 5.029 0.916 219 HB3 SER 34 2HB SER 34 8.947 3.714 -0.235 220 HG SER 34 HG SER 34 11.206 3.947 0.105 221 H HIS 35 H HIS 35 9.312 3.782 -2.669 222 HA HIS 35 HA HIS 35 12.007 3.251 -3.233 223 HB2 HIS 35 1HB HIS 35 9.510 2.718 -4.850 224 HB3 HIS 35 2HB HIS 35 11.101 2.096 -5.278 225 HD1 HIS 35 HD1 HIS 35 12.200 0.459 -3.425 226 HD2 HIS 35 HD2 HIS 35 8.121 1.172 -3.091 227 HE1 HIS 35 HE1 HIS 35 11.318 -1.369 -1.940 228 H SER 36 H SER 36 13.452 4.132 -4.587 229 HA SER 36 HA SER 36 12.648 5.780 -6.813 230 HB2 SER 36 1HB SER 36 14.148 7.014 -4.489 231 HB3 SER 36 2HB SER 36 13.874 7.790 -6.049 232 HG SER 36 HG SER 36 12.127 8.484 -5.094 233 H GLY 37 H GLY 37 14.255 6.016 -8.342 234 HA2 GLY 37 1HA GLY 37 16.978 5.212 -7.697 235 HA3 GLY 37 2HA GLY 37 16.112 4.160 -8.807 236 H GLU 38 H GLU 38 18.458 6.182 -8.955 237 HA GLU 38 HA GLU 38 17.472 7.941 -11.062 238 HB2 GLU 38 1HB GLU 38 19.633 9.027 -10.938 239 HB3 GLU 38 2HB GLU 38 18.974 8.846 -9.318 240 HG2 GLU 38 1HG GLU 38 20.519 7.255 -8.715 241 HG3 GLU 38 2HG GLU 38 20.835 6.777 -10.382 242 H LYS 39 H LYS 39 17.464 5.160 -11.625 243 HA LYS 39 HA LYS 39 19.694 4.834 -13.506 244 HB2 LYS 39 1HB LYS 39 19.293 2.515 -13.468 245 HB3 LYS 39 2HB LYS 39 19.089 3.030 -11.799 246 HG2 LYS 39 1HG LYS 39 16.765 2.812 -11.892 247 HG3 LYS 39 2HG LYS 39 16.751 2.781 -13.657 248 HD2 LYS 39 1HD LYS 39 18.142 0.648 -12.068 249 HD3 LYS 39 2HD LYS 39 16.410 0.564 -12.399 250 HE2 LYS 39 1HE LYS 39 17.192 -0.591 -14.202 251 HE3 LYS 39 2HE LYS 39 17.228 1.040 -14.869 252 HZ1 LYS 39 3HZ LYS 39 19.644 0.486 -13.507 253 HZ2 LYS 39 1HZ LYS 39 19.408 0.895 -15.132 254 HZ3 LYS 39 2HZ LYS 39 19.343 -0.725 -14.649 255 HA PRO 40 HA PRO 40 17.130 5.658 -16.984 256 HB2 PRO 40 1HB PRO 40 18.444 4.215 -18.872 257 HB3 PRO 40 2HB PRO 40 19.069 5.733 -18.215 258 HG2 PRO 40 1HG PRO 40 19.789 2.918 -17.495 259 HG3 PRO 40 2HG PRO 40 20.851 4.318 -17.733 260 HD2 PRO 40 1HD PRO 40 20.125 3.441 -15.276 261 HD3 PRO 40 2HD PRO 40 20.429 5.155 -15.628 262 H SER 41 H SER 41 15.228 4.572 -16.278 263 HA SER 41 HA SER 41 14.953 1.760 -17.044 264 HB2 SER 41 1HB SER 41 12.765 1.919 -15.824 265 HB3 SER 41 2HB SER 41 14.172 2.261 -14.818 266 HG SER 41 HG SER 41 12.160 3.756 -14.918 267 H GLY 42 H GLY 42 13.512 4.936 -17.653 268 HA2 GLY 42 1HA GLY 42 12.419 5.717 -19.529 269 HA3 GLY 42 2HA GLY 42 12.789 4.191 -20.319 270 HA PRO 43 HA PRO 43 8.208 4.423 -19.550 271 HB2 PRO 43 1HB PRO 43 7.499 3.750 -22.083 272 HB3 PRO 43 2HB PRO 43 7.816 5.416 -21.584 273 HG2 PRO 43 1HG PRO 43 9.610 3.494 -23.016 274 HG3 PRO 43 2HG PRO 43 9.340 5.218 -23.329 275 HD2 PRO 43 1HD PRO 43 11.504 4.303 -21.983 276 HD3 PRO 43 2HD PRO 43 10.759 5.877 -21.636 277 H SER 44 H SER 44 8.208 2.586 -18.266 278 HA SER 44 HA SER 44 8.962 0.012 -19.084 279 HB2 SER 44 1HB SER 44 7.192 1.042 -16.881 280 HB3 SER 44 2HB SER 44 7.385 -0.690 -17.148 281 HG SER 44 HG SER 44 9.152 -0.497 -16.045 282 H SER 45 H SER 45 5.662 1.308 -18.668 283 HA SER 45 HA SER 45 4.760 -0.623 -20.704 284 HB2 SER 45 1HB SER 45 3.908 -1.071 -18.391 285 HB3 SER 45 2HB SER 45 3.107 0.499 -18.430 286 HG SER 45 HG SER 45 1.779 -0.216 -20.035 287 H GLY 46 H GLY 46 3.265 0.066 -22.242 288 HA2 GLY 46 1HA GLY 46 3.436 2.839 -22.936 289 HA3 GLY 46 2HA GLY 46 2.535 1.603 -23.801 Start of MODEL 8 1 H1 GLY 1 H GLY 1 17.703 -8.373 -11.031 2 HA2 GLY 1 1HA GLY 1 18.443 -8.629 -8.801 3 HA3 GLY 1 2HA GLY 1 18.998 -6.962 -8.819 4 H SER 2 H SER 2 15.954 -8.794 -9.113 5 HA SER 2 HA SER 2 14.776 -7.136 -7.037 6 HB2 SER 2 1HB SER 2 13.789 -7.187 -9.885 7 HB3 SER 2 2HB SER 2 12.723 -6.781 -8.540 8 HG SER 2 HG SER 2 13.719 -4.935 -9.512 9 H SER 3 H SER 3 13.965 -8.566 -5.666 10 HA SER 3 HA SER 3 12.781 -11.040 -6.731 11 HB2 SER 3 1HB SER 3 13.130 -11.936 -4.416 12 HB3 SER 3 2HB SER 3 14.626 -11.496 -5.241 13 HG SER 3 HG SER 3 14.763 -10.623 -3.226 14 H GLY 4 H GLY 4 10.843 -11.855 -5.743 15 HA2 GLY 4 1HA GLY 4 9.325 -10.215 -3.942 16 HA3 GLY 4 2HA GLY 4 8.739 -10.113 -5.596 17 H SER 5 H SER 5 10.096 -12.935 -3.949 18 HA SER 5 HA SER 5 8.101 -14.678 -4.882 19 HB2 SER 5 1HB SER 5 9.040 -16.297 -3.260 20 HB3 SER 5 2HB SER 5 10.299 -15.488 -4.191 21 HG SER 5 HG SER 5 10.153 -13.958 -2.216 22 H SER 6 H SER 6 6.042 -14.007 -4.414 23 HA SER 6 HA SER 6 5.304 -14.003 -1.561 24 HB2 SER 6 1HB SER 6 3.423 -12.463 -2.229 25 HB3 SER 6 2HB SER 6 5.033 -11.759 -2.377 26 HG SER 6 HG SER 6 4.097 -13.057 -4.628 27 H GLY 7 H GLY 7 4.946 -16.294 -1.769 28 HA2 GLY 7 1HA GLY 7 2.865 -17.199 -3.577 29 HA3 GLY 7 2HA GLY 7 3.772 -18.192 -2.445 30 H SER 8 H SER 8 3.085 -18.340 -0.282 31 HA SER 8 HA SER 8 0.350 -18.504 0.125 32 HB2 SER 8 1HB SER 8 2.647 -18.292 2.068 33 HB3 SER 8 2HB SER 8 0.982 -18.499 2.610 34 HG SER 8 HG SER 8 2.574 -20.256 1.077 35 H GLY 9 H GLY 9 -0.927 -16.773 -0.244 36 HA2 GLY 9 1HA GLY 9 -2.059 -14.950 0.844 37 HA3 GLY 9 2HA GLY 9 -0.513 -14.442 1.508 38 H GLU 10 H GLU 10 -2.793 -13.867 -0.862 39 HA GLU 10 HA GLU 10 -0.889 -12.180 -2.341 40 HB2 GLU 10 1HB GLU 10 -1.673 -14.293 -3.571 41 HB3 GLU 10 2HB GLU 10 -3.244 -13.509 -3.662 42 HG2 GLU 10 1HG GLU 10 -2.229 -11.630 -4.859 43 HG3 GLU 10 2HG GLU 10 -0.666 -12.442 -4.790 44 H LYS 11 H LYS 11 -1.664 -10.194 -3.064 45 HA LYS 11 HA LYS 11 -4.300 -9.411 -2.002 46 HB2 LYS 11 1HB LYS 11 -1.644 -8.063 -1.844 47 HB3 LYS 11 2HB LYS 11 -3.079 -7.056 -1.983 48 HG2 LYS 11 1HG LYS 11 -3.905 -7.717 0.071 49 HG3 LYS 11 2HG LYS 11 -2.955 -9.205 0.088 50 HD2 LYS 11 1HD LYS 11 -0.902 -7.825 0.321 51 HD3 LYS 11 2HD LYS 11 -1.925 -6.392 0.447 52 HE2 LYS 11 1HE LYS 11 -2.668 -6.940 2.537 53 HE3 LYS 11 2HE LYS 11 -2.493 -8.673 2.264 54 HZ1 LYS 11 3HZ LYS 11 -0.388 -6.709 2.940 55 HZ2 LYS 11 1HZ LYS 11 -0.017 -8.230 2.300 56 HZ3 LYS 11 2HZ LYS 11 -0.825 -8.110 3.781 57 HA PRO 12 HA PRO 12 -5.426 -7.915 -5.970 58 HB2 PRO 12 1HB PRO 12 -6.803 -5.653 -5.372 59 HB3 PRO 12 2HB PRO 12 -7.433 -7.274 -5.054 60 HG2 PRO 12 1HG PRO 12 -6.112 -5.354 -3.175 61 HG3 PRO 12 2HG PRO 12 -7.541 -6.371 -2.914 62 HD2 PRO 12 1HD PRO 12 -5.089 -7.038 -1.981 63 HD3 PRO 12 2HD PRO 12 -6.280 -8.252 -2.488 64 H PHE 13 H PHE 13 -3.532 -5.907 -3.887 65 HA PHE 13 HA PHE 13 -2.252 -4.690 -6.184 66 HB2 PHE 13 1HB PHE 13 -3.562 -3.001 -4.043 67 HB3 PHE 13 2HB PHE 13 -2.490 -2.390 -5.300 68 HD1 PHE 13 HD2 PHE 13 -5.733 -4.088 -4.737 69 HD2 PHE 13 HD1 PHE 13 -3.316 -1.825 -7.411 70 HE1 PHE 13 HE2 PHE 13 -7.663 -3.806 -6.237 71 HE2 PHE 13 HE1 PHE 13 -5.242 -1.538 -8.915 72 HZ PHE 13 HZ PHE 13 -7.419 -2.530 -8.329 73 H LYS 14 H LYS 14 -0.196 -5.173 -5.804 74 HA LYS 14 HA LYS 14 0.893 -4.626 -3.124 75 HB2 LYS 14 1HB LYS 14 2.517 -6.557 -3.682 76 HB3 LYS 14 2HB LYS 14 0.891 -6.958 -3.144 77 HG2 LYS 14 1HG LYS 14 0.354 -7.019 -5.688 78 HG3 LYS 14 2HG LYS 14 2.102 -7.204 -5.860 79 HD2 LYS 14 1HD LYS 14 1.757 -9.054 -4.022 80 HD3 LYS 14 2HD LYS 14 0.102 -9.047 -4.636 81 HE2 LYS 14 1HE LYS 14 0.933 -9.477 -6.891 82 HE3 LYS 14 2HE LYS 14 2.591 -9.455 -6.292 83 HZ1 LYS 14 3HZ LYS 14 1.410 -11.282 -4.697 84 HZ2 LYS 14 1HZ LYS 14 2.310 -11.645 -6.083 85 HZ3 LYS 14 2HZ LYS 14 0.624 -11.553 -6.171 86 H CYS 15 H CYS 15 3.114 -4.005 -3.058 87 HA CYS 15 HA CYS 15 3.866 -2.225 -5.111 88 HB2 CYS 15 1HB CYS 15 4.536 -2.023 -2.712 89 HB3 CYS 15 2HB CYS 15 5.634 -3.380 -2.945 90 H GLU 16 H GLU 16 5.588 -2.309 -6.589 91 HA GLU 16 HA GLU 16 6.157 -5.000 -7.553 92 HB2 GLU 16 1HB GLU 16 6.487 -4.086 -9.626 93 HB3 GLU 16 2HB GLU 16 5.407 -2.877 -8.945 94 HG2 GLU 16 1HG GLU 16 7.590 -1.697 -8.212 95 HG3 GLU 16 2HG GLU 16 8.348 -2.722 -9.429 96 H GLU 17 H GLU 17 7.686 -2.420 -5.878 97 HA GLU 17 HA GLU 17 10.383 -3.095 -6.552 98 HB2 GLU 17 1HB GLU 17 9.131 -1.363 -4.434 99 HB3 GLU 17 2HB GLU 17 10.863 -1.666 -4.463 100 HG2 GLU 17 1HG GLU 17 9.196 -0.280 -6.539 101 HG3 GLU 17 2HG GLU 17 10.499 0.392 -5.562 102 H CYS 18 H CYS 18 8.588 -3.384 -3.479 103 HA CYS 18 HA CYS 18 10.399 -5.564 -2.711 104 HB2 CYS 18 1HB CYS 18 9.424 -5.177 -0.409 105 HB3 CYS 18 2HB CYS 18 10.372 -3.845 -1.061 106 H GLY 19 H GLY 19 6.941 -4.702 -2.598 107 HA2 GLY 19 1HA GLY 19 5.473 -6.465 -3.632 108 HA3 GLY 19 2HA GLY 19 6.337 -7.594 -2.599 109 H LYS 20 H LYS 20 5.608 -4.452 -1.364 110 HA LYS 20 HA LYS 20 4.380 -5.269 0.941 111 HB2 LYS 20 1HB LYS 20 5.042 -2.862 -0.075 112 HB3 LYS 20 2HB LYS 20 3.294 -2.783 -0.253 113 HG2 LYS 20 1HG LYS 20 3.458 -1.919 1.828 114 HG3 LYS 20 2HG LYS 20 3.398 -3.627 2.268 115 HD2 LYS 20 1HD LYS 20 5.979 -3.518 2.050 116 HD3 LYS 20 2HD LYS 20 5.750 -1.773 2.188 117 HE2 LYS 20 1HE LYS 20 4.693 -2.020 4.325 118 HE3 LYS 20 2HE LYS 20 4.670 -3.776 4.165 119 HZ1 LYS 20 3HZ LYS 20 6.460 -3.182 5.592 120 HZ2 LYS 20 1HZ LYS 20 7.054 -2.041 4.493 121 HZ3 LYS 20 2HZ LYS 20 7.137 -3.690 4.127 122 H GLY 21 H GLY 21 2.013 -4.647 1.542 123 HA2 GLY 21 1HA GLY 21 0.236 -5.787 -0.528 124 HA3 GLY 21 2HA GLY 21 0.087 -6.179 1.179 125 H PHE 22 H PHE 22 -1.641 -4.778 -0.960 126 HA PHE 22 HA PHE 22 -2.706 -2.796 0.873 127 HB2 PHE 22 1HB PHE 22 -2.035 -1.994 -1.962 128 HB3 PHE 22 2HB PHE 22 -2.679 -0.966 -0.685 129 HD1 PHE 22 HD1 PHE 22 -1.190 -0.751 1.445 130 HD2 PHE 22 HD2 PHE 22 0.231 -2.005 -2.366 131 HE1 PHE 22 HE1 PHE 22 1.098 -0.122 2.095 132 HE2 PHE 22 HE2 PHE 22 2.521 -1.380 -1.722 133 HZ PHE 22 HZ PHE 22 2.958 -0.437 0.511 134 H TYR 23 H TYR 23 -4.783 -1.843 -0.038 135 HA TYR 23 HA TYR 23 -6.204 -3.926 -1.564 136 HB2 TYR 23 1HB TYR 23 -6.946 -2.372 0.860 137 HB3 TYR 23 2HB TYR 23 -8.227 -2.718 -0.295 138 HD1 TYR 23 HD1 TYR 23 -5.422 -5.027 0.193 139 HD2 TYR 23 HD2 TYR 23 -9.444 -4.129 1.253 140 HE1 TYR 23 HE1 TYR 23 -5.668 -7.281 1.147 141 HE2 TYR 23 HE2 TYR 23 -9.700 -6.380 2.211 142 HH TYR 23 HH TYR 23 -8.649 -8.625 1.941 143 H THR 24 H THR 24 -5.658 -0.503 -1.120 144 HA THR 24 HA THR 24 -7.300 0.046 -3.506 145 HB THR 24 HB THR 24 -7.432 2.383 -2.727 146 HG1 THR 24 HG1 THR 24 -5.711 1.374 -0.771 147 HG21 THR 24 3HG2 THR 24 -9.296 1.096 -2.106 148 HG22 THR 24 1HG2 THR 24 -8.796 1.889 -0.613 149 HG23 THR 24 2HG2 THR 24 -8.383 0.197 -0.895 150 H ASN 25 H ASN 25 -6.388 1.001 -5.247 151 HA ASN 25 HA ASN 25 -3.693 0.843 -5.761 152 HB2 ASN 25 1HB ASN 25 -4.927 1.133 -7.685 153 HB3 ASN 25 2HB ASN 25 -5.935 2.392 -6.977 154 HD21 ASN 25 1HD2 ASN 25 -3.381 1.733 -9.024 155 HD22 ASN 25 2HD2 ASN 25 -2.768 3.339 -9.205 156 H SER 26 H SER 26 -5.513 3.678 -4.640 157 HA SER 26 HA SER 26 -3.560 5.601 -4.683 158 HB2 SER 26 1HB SER 26 -4.768 6.716 -2.878 159 HB3 SER 26 2HB SER 26 -5.913 6.002 -4.013 160 HG SER 26 HG SER 26 -5.064 4.673 -1.663 161 H GLN 27 H GLN 27 -4.069 3.094 -2.246 162 HA GLN 27 HA GLN 27 -2.036 4.010 -0.481 163 HB2 GLN 27 1HB GLN 27 -3.652 1.510 -0.747 164 HB3 GLN 27 2HB GLN 27 -2.234 1.497 0.293 165 HG2 GLN 27 1HG GLN 27 -3.128 3.180 1.692 166 HG3 GLN 27 2HG GLN 27 -4.421 3.538 0.549 167 HE21 GLN 27 1HE2 GLN 27 -6.071 3.165 1.979 168 HE22 GLN 27 2HE2 GLN 27 -6.462 1.594 2.581 169 H CYS 28 H CYS 28 -2.150 1.484 -2.971 170 HA CYS 28 HA CYS 28 0.376 0.400 -2.624 171 HB2 CYS 28 1HB CYS 28 -1.099 -0.701 -4.115 172 HB3 CYS 28 2HB CYS 28 -1.329 0.749 -5.084 173 HG CYS 28 HG CYS 28 1.245 -1.454 -5.118 174 H TYR 29 H TYR 29 -0.595 3.193 -4.582 175 HA TYR 29 HA TYR 29 1.982 3.718 -5.629 176 HB2 TYR 29 1HB TYR 29 -0.324 4.577 -6.433 177 HB3 TYR 29 2HB TYR 29 -0.111 5.840 -5.226 178 HD1 TYR 29 HD2 TYR 29 2.040 7.248 -5.373 179 HD2 TYR 29 HD1 TYR 29 0.614 4.811 -8.556 180 HE1 TYR 29 HE2 TYR 29 3.390 8.549 -6.966 181 HE2 TYR 29 HE1 TYR 29 1.961 6.104 -10.158 182 HH TYR 29 HH TYR 29 3.912 8.877 -9.100 183 H SER 30 H SER 30 0.180 5.116 -2.904 184 HA SER 30 HA SER 30 1.835 7.097 -2.065 185 HB2 SER 30 1HB SER 30 0.126 5.142 -0.583 186 HB3 SER 30 2HB SER 30 1.187 6.205 0.342 187 HG SER 30 HG SER 30 -0.352 7.375 -1.660 188 H HIS 31 H HIS 31 2.170 3.665 -1.175 189 HA HIS 31 HA HIS 31 4.616 4.048 0.229 190 HB2 HIS 31 1HB HIS 31 3.553 2.129 0.938 191 HB3 HIS 31 2HB HIS 31 3.023 1.695 -0.684 192 HD1 HIS 31 HD1 HIS 31 5.707 1.118 1.769 193 HD2 HIS 31 HD2 HIS 31 5.045 0.416 -2.272 194 HE1 HIS 31 HE1 HIS 31 7.462 -0.547 1.080 195 H GLN 32 H GLN 32 3.819 2.849 -3.014 196 HA GLN 32 HA GLN 32 6.269 2.046 -3.918 197 HB2 GLN 32 1HB GLN 32 3.898 3.277 -5.219 198 HB3 GLN 32 2HB GLN 32 5.384 3.216 -6.158 199 HG2 GLN 32 1HG GLN 32 4.493 0.737 -4.793 200 HG3 GLN 32 2HG GLN 32 3.609 1.269 -6.222 201 HE21 GLN 32 1HE2 GLN 32 4.372 -0.714 -7.175 202 HE22 GLN 32 2HE2 GLN 32 5.957 -0.781 -7.857 203 H ARG 33 H ARG 33 5.042 5.362 -3.745 204 HA ARG 33 HA ARG 33 7.067 6.701 -5.063 205 HB2 ARG 33 1HB ARG 33 5.286 7.460 -2.770 206 HB3 ARG 33 2HB ARG 33 6.526 8.571 -3.334 207 HG2 ARG 33 1HG ARG 33 5.487 8.922 -5.356 208 HG3 ARG 33 2HG ARG 33 4.620 7.386 -5.296 209 HD2 ARG 33 1HD ARG 33 2.955 8.956 -4.885 210 HD3 ARG 33 2HD ARG 33 3.399 8.405 -3.270 211 HE ARG 33 HE ARG 33 4.982 10.564 -3.637 212 HH11 ARG 33 1HH1 ARG 33 1.559 10.030 -3.978 213 HH12 ARG 33 2HH1 ARG 33 1.132 11.658 -3.568 214 HH21 ARG 33 1HH2 ARG 33 4.433 12.710 -3.096 215 HH22 ARG 33 2HH2 ARG 33 2.767 13.182 -3.067 216 H SER 34 H SER 34 6.947 5.643 -1.686 217 HA SER 34 HA SER 34 9.157 6.832 -0.622 218 HB2 SER 34 1HB SER 34 8.260 3.967 -0.228 219 HB3 SER 34 2HB SER 34 9.401 4.814 0.818 220 HG SER 34 HG SER 34 6.683 5.482 0.350 221 H HIS 35 H HIS 35 9.127 3.820 -2.513 222 HA HIS 35 HA HIS 35 11.819 3.205 -2.425 223 HB2 HIS 35 1HB HIS 35 9.700 2.748 -4.503 224 HB3 HIS 35 2HB HIS 35 11.361 2.244 -4.800 225 HD1 HIS 35 HD1 HIS 35 12.333 0.686 -2.676 226 HD2 HIS 35 HD2 HIS 35 8.235 0.801 -3.352 227 HE1 HIS 35 HE1 HIS 35 11.407 -1.354 -1.535 228 H SER 36 H SER 36 13.410 4.627 -2.746 229 HA SER 36 HA SER 36 13.251 6.394 -5.097 230 HB2 SER 36 1HB SER 36 13.420 7.467 -2.810 231 HB3 SER 36 2HB SER 36 15.035 6.770 -2.685 232 HG SER 36 HG SER 36 15.375 8.744 -3.532 233 H GLY 37 H GLY 37 14.045 3.693 -5.359 234 HA2 GLY 37 1HA GLY 37 16.790 3.221 -5.257 235 HA3 GLY 37 2HA GLY 37 15.681 2.450 -6.381 236 H GLU 38 H GLU 38 18.500 3.764 -6.473 237 HA GLU 38 HA GLU 38 17.995 5.492 -8.801 238 HB2 GLU 38 1HB GLU 38 19.207 6.644 -7.058 239 HB3 GLU 38 2HB GLU 38 20.375 5.334 -6.948 240 HG2 GLU 38 1HG GLU 38 21.194 7.341 -8.154 241 HG3 GLU 38 2HG GLU 38 21.274 5.849 -9.090 242 H LYS 39 H LYS 39 17.727 3.662 -10.191 243 HA LYS 39 HA LYS 39 20.091 2.001 -10.635 244 HB2 LYS 39 1HB LYS 39 18.640 0.661 -12.082 245 HB3 LYS 39 2HB LYS 39 17.926 0.866 -10.488 246 HG2 LYS 39 1HG LYS 39 16.096 1.272 -11.763 247 HG3 LYS 39 2HG LYS 39 16.746 2.912 -11.682 248 HD2 LYS 39 1HD LYS 39 16.261 2.586 -13.951 249 HD3 LYS 39 2HD LYS 39 18.003 2.321 -13.833 250 HE2 LYS 39 1HE LYS 39 17.787 0.013 -14.060 251 HE3 LYS 39 2HE LYS 39 16.082 0.032 -13.611 252 HZ1 LYS 39 3HZ LYS 39 17.295 0.907 -16.167 253 HZ2 LYS 39 1HZ LYS 39 15.706 1.294 -15.733 254 HZ3 LYS 39 2HZ LYS 39 16.161 -0.324 -15.921 255 HA PRO 40 HA PRO 40 21.449 4.237 -14.166 256 HB2 PRO 40 1HB PRO 40 22.639 2.240 -15.568 257 HB3 PRO 40 2HB PRO 40 23.337 2.930 -14.098 258 HG2 PRO 40 1HG PRO 40 21.763 0.407 -14.444 259 HG3 PRO 40 2HG PRO 40 23.225 0.690 -13.481 260 HD2 PRO 40 1HD PRO 40 20.750 0.613 -12.384 261 HD3 PRO 40 2HD PRO 40 22.047 1.641 -11.742 262 H SER 41 H SER 41 20.560 4.888 -16.034 263 HA SER 41 HA SER 41 18.333 3.397 -17.117 264 HB2 SER 41 1HB SER 41 19.522 6.099 -17.748 265 HB3 SER 41 2HB SER 41 18.203 5.404 -18.690 266 HG SER 41 HG SER 41 17.109 6.454 -17.182 267 H GLY 42 H GLY 42 19.597 1.559 -17.857 268 HA2 GLY 42 1HA GLY 42 19.936 1.356 -20.544 269 HA3 GLY 42 2HA GLY 42 21.499 1.938 -19.991 270 HA PRO 43 HA PRO 43 20.831 -2.430 -17.995 271 HB2 PRO 43 1HB PRO 43 18.798 -3.905 -19.026 272 HB3 PRO 43 2HB PRO 43 18.598 -2.834 -17.634 273 HG2 PRO 43 1HG PRO 43 17.911 -2.353 -20.507 274 HG3 PRO 43 2HG PRO 43 16.976 -1.961 -19.053 275 HD2 PRO 43 1HD PRO 43 18.440 -0.114 -20.386 276 HD3 PRO 43 2HD PRO 43 18.199 -0.054 -18.628 277 H SER 44 H SER 44 21.084 -1.420 -21.119 278 HA SER 44 HA SER 44 21.980 -2.259 -23.040 279 HB2 SER 44 1HB SER 44 23.913 -3.702 -22.765 280 HB3 SER 44 2HB SER 44 23.902 -2.502 -21.472 281 HG SER 44 HG SER 44 22.610 -4.915 -20.973 282 H SER 45 H SER 45 19.508 -3.165 -22.847 283 HA SER 45 HA SER 45 19.394 -6.049 -22.932 284 HB2 SER 45 1HB SER 45 17.356 -3.865 -23.333 285 HB3 SER 45 2HB SER 45 16.973 -5.557 -23.647 286 HG SER 45 HG SER 45 17.755 -5.922 -21.428 287 H GLY 46 H GLY 46 17.785 -6.755 -24.923 288 HA2 GLY 46 1HA GLY 46 17.758 -5.899 -27.418 289 HA3 GLY 46 2HA GLY 46 19.461 -6.306 -27.275 Start of MODEL 9 1 H1 GLY 1 H GLY 1 18.576 -3.476 12.598 2 HA2 GLY 1 1HA GLY 1 17.307 -5.602 12.966 3 HA3 GLY 1 2HA GLY 1 16.212 -4.634 13.942 4 H SER 2 H SER 2 16.251 -6.185 11.186 5 HA SER 2 HA SER 2 14.511 -4.224 9.862 6 HB2 SER 2 1HB SER 2 16.687 -4.163 8.716 7 HB3 SER 2 2HB SER 2 16.606 -5.906 8.463 8 HG SER 2 HG SER 2 14.409 -5.152 7.465 9 H SER 3 H SER 3 12.583 -5.043 9.402 10 HA SER 3 HA SER 3 12.148 -7.903 9.690 11 HB2 SER 3 1HB SER 3 10.625 -6.264 10.783 12 HB3 SER 3 2HB SER 3 10.130 -5.703 9.186 13 HG SER 3 HG SER 3 8.646 -7.203 9.647 14 H GLY 4 H GLY 4 12.711 -9.026 7.914 15 HA2 GLY 4 1HA GLY 4 12.289 -7.987 5.257 16 HA3 GLY 4 2HA GLY 4 12.940 -9.566 5.671 17 H SER 5 H SER 5 10.759 -10.401 7.323 18 HA SER 5 HA SER 5 9.203 -11.870 5.733 19 HB2 SER 5 1HB SER 5 7.530 -11.959 7.452 20 HB3 SER 5 2HB SER 5 9.089 -11.759 8.253 21 HG SER 5 HG SER 5 7.196 -10.352 8.883 22 H SER 6 H SER 6 7.493 -11.686 4.376 23 HA SER 6 HA SER 6 6.394 -8.984 3.956 24 HB2 SER 6 1HB SER 6 8.008 -10.038 2.163 25 HB3 SER 6 2HB SER 6 6.570 -10.949 1.700 26 HG SER 6 HG SER 6 6.015 -8.319 2.049 27 H GLY 7 H GLY 7 4.331 -9.256 2.434 28 HA2 GLY 7 1HA GLY 7 2.279 -10.273 3.944 29 HA3 GLY 7 2HA GLY 7 2.183 -10.051 2.203 30 H SER 8 H SER 8 0.954 -12.115 3.843 31 HA SER 8 HA SER 8 2.408 -14.532 3.084 32 HB2 SER 8 1HB SER 8 -0.155 -14.265 4.673 33 HB3 SER 8 2HB SER 8 0.815 -15.726 4.485 34 HG SER 8 HG SER 8 1.805 -15.046 6.204 35 H GLY 9 H GLY 9 -0.961 -13.362 2.860 36 HA2 GLY 9 1HA GLY 9 -1.426 -15.165 0.616 37 HA3 GLY 9 2HA GLY 9 -2.638 -14.200 1.445 38 H GLU 10 H GLU 10 -2.778 -14.259 -1.225 39 HA GLU 10 HA GLU 10 -1.257 -12.237 -2.526 40 HB2 GLU 10 1HB GLU 10 -2.427 -12.781 -4.424 41 HB3 GLU 10 2HB GLU 10 -2.670 -14.249 -3.487 42 HG2 GLU 10 1HG GLU 10 -4.863 -13.530 -2.825 43 HG3 GLU 10 2HG GLU 10 -4.622 -11.962 -3.594 44 H LYS 11 H LYS 11 -2.383 -10.353 -3.630 45 HA LYS 11 HA LYS 11 -4.543 -9.177 -2.069 46 HB2 LYS 11 1HB LYS 11 -1.735 -8.175 -2.121 47 HB3 LYS 11 2HB LYS 11 -3.035 -6.990 -2.135 48 HG2 LYS 11 1HG LYS 11 -3.891 -7.808 -0.057 49 HG3 LYS 11 2HG LYS 11 -2.765 -9.168 -0.075 50 HD2 LYS 11 1HD LYS 11 -0.886 -7.561 0.036 51 HD3 LYS 11 2HD LYS 11 -2.055 -6.243 0.158 52 HE2 LYS 11 1HE LYS 11 -1.551 -6.616 2.374 53 HE3 LYS 11 2HE LYS 11 -2.979 -7.629 2.166 54 HZ1 LYS 11 3HZ LYS 11 -1.573 -9.548 1.911 55 HZ2 LYS 11 1HZ LYS 11 -1.177 -8.761 3.355 56 HZ3 LYS 11 2HZ LYS 11 -0.177 -8.598 2.002 57 HA PRO 12 HA PRO 12 -5.812 -7.499 -5.919 58 HB2 PRO 12 1HB PRO 12 -6.925 -5.140 -5.166 59 HB3 PRO 12 2HB PRO 12 -7.679 -6.706 -4.841 60 HG2 PRO 12 1HG PRO 12 -6.052 -4.972 -3.022 61 HG3 PRO 12 2HG PRO 12 -7.547 -5.862 -2.678 62 HD2 PRO 12 1HD PRO 12 -5.105 -6.777 -1.947 63 HD3 PRO 12 2HD PRO 12 -6.438 -7.862 -2.391 64 H PHE 13 H PHE 13 -3.583 -5.746 -3.943 65 HA PHE 13 HA PHE 13 -2.296 -4.644 -6.270 66 HB2 PHE 13 1HB PHE 13 -3.382 -2.749 -4.176 67 HB3 PHE 13 2HB PHE 13 -2.407 -2.308 -5.574 68 HD1 PHE 13 HD2 PHE 13 -5.703 -3.500 -4.466 69 HD2 PHE 13 HD1 PHE 13 -3.372 -2.096 -7.739 70 HE1 PHE 13 HE2 PHE 13 -7.752 -3.208 -5.796 71 HE2 PHE 13 HE1 PHE 13 -5.418 -1.801 -9.074 72 HZ PHE 13 HZ PHE 13 -7.612 -2.358 -8.103 73 H LYS 14 H LYS 14 -0.182 -4.803 -5.956 74 HA LYS 14 HA LYS 14 0.887 -4.485 -3.237 75 HB2 LYS 14 1HB LYS 14 2.534 -6.349 -3.872 76 HB3 LYS 14 2HB LYS 14 0.898 -6.822 -3.434 77 HG2 LYS 14 1HG LYS 14 0.416 -6.780 -5.948 78 HG3 LYS 14 2HG LYS 14 2.170 -6.758 -6.145 79 HD2 LYS 14 1HD LYS 14 2.122 -8.791 -4.533 80 HD3 LYS 14 2HD LYS 14 0.419 -8.894 -4.985 81 HE2 LYS 14 1HE LYS 14 1.104 -8.976 -7.364 82 HE3 LYS 14 2HE LYS 14 2.790 -8.988 -6.849 83 HZ1 LYS 14 3HZ LYS 14 1.169 -11.173 -7.198 84 HZ2 LYS 14 1HZ LYS 14 1.280 -11.001 -5.519 85 HZ3 LYS 14 2HZ LYS 14 2.685 -11.154 -6.447 86 H CYS 15 H CYS 15 3.262 -4.117 -3.228 87 HA CYS 15 HA CYS 15 3.934 -2.114 -5.165 88 HB2 CYS 15 1HB CYS 15 4.575 -1.949 -2.771 89 HB3 CYS 15 2HB CYS 15 5.656 -3.321 -2.990 90 H GLU 16 H GLU 16 5.785 -2.110 -6.537 91 HA GLU 16 HA GLU 16 6.339 -4.748 -7.652 92 HB2 GLU 16 1HB GLU 16 6.776 -3.713 -9.647 93 HB3 GLU 16 2HB GLU 16 5.688 -2.528 -8.938 94 HG2 GLU 16 1HG GLU 16 7.660 -1.258 -8.148 95 HG3 GLU 16 2HG GLU 16 8.693 -2.405 -8.999 96 H GLU 17 H GLU 17 7.885 -2.201 -5.880 97 HA GLU 17 HA GLU 17 10.576 -2.943 -6.437 98 HB2 GLU 17 1HB GLU 17 9.278 -1.268 -4.302 99 HB3 GLU 17 2HB GLU 17 11.002 -1.611 -4.272 100 HG2 GLU 17 1HG GLU 17 11.043 0.356 -5.390 101 HG3 GLU 17 2HG GLU 17 10.859 -0.739 -6.759 102 H CYS 18 H CYS 18 8.708 -3.274 -3.413 103 HA CYS 18 HA CYS 18 10.427 -5.533 -2.677 104 HB2 CYS 18 1HB CYS 18 9.344 -5.214 -0.402 105 HB3 CYS 18 2HB CYS 18 10.375 -3.899 -0.955 106 H GLY 19 H GLY 19 6.979 -4.616 -2.617 107 HA2 GLY 19 1HA GLY 19 5.454 -6.231 -3.736 108 HA3 GLY 19 2HA GLY 19 6.339 -7.490 -2.888 109 H LYS 20 H LYS 20 5.603 -4.481 -1.313 110 HA LYS 20 HA LYS 20 4.462 -5.601 0.936 111 HB2 LYS 20 1HB LYS 20 5.196 -3.126 0.336 112 HB3 LYS 20 2HB LYS 20 3.475 -2.935 0.028 113 HG2 LYS 20 1HG LYS 20 2.909 -3.190 2.227 114 HG3 LYS 20 2HG LYS 20 4.326 -4.178 2.591 115 HD2 LYS 20 1HD LYS 20 4.953 -2.239 3.617 116 HD3 LYS 20 2HD LYS 20 5.589 -1.923 2.001 117 HE2 LYS 20 1HE LYS 20 3.970 -0.381 1.517 118 HE3 LYS 20 2HE LYS 20 2.784 -1.130 2.586 119 HZ1 LYS 20 3HZ LYS 20 4.113 -0.294 4.480 120 HZ2 LYS 20 1HZ LYS 20 3.462 0.941 3.523 121 HZ3 LYS 20 2HZ LYS 20 5.101 0.542 3.390 122 H GLY 21 H GLY 21 2.083 -4.790 1.617 123 HA2 GLY 21 1HA GLY 21 0.274 -5.863 -0.461 124 HA3 GLY 21 2HA GLY 21 0.073 -6.175 1.257 125 H PHE 22 H PHE 22 -1.553 -4.784 -0.954 126 HA PHE 22 HA PHE 22 -2.444 -2.598 0.758 127 HB2 PHE 22 1HB PHE 22 -1.963 -2.128 -2.184 128 HB3 PHE 22 2HB PHE 22 -2.404 -0.941 -0.962 129 HD1 PHE 22 HD1 PHE 22 -0.737 -0.326 0.797 130 HD2 PHE 22 HD2 PHE 22 0.284 -2.680 -2.599 131 HE1 PHE 22 HE1 PHE 22 1.643 0.177 1.168 132 HE2 PHE 22 HE2 PHE 22 2.665 -2.182 -2.233 133 HZ PHE 22 HZ PHE 22 3.347 -0.752 -0.347 134 H TYR 23 H TYR 23 -4.613 -2.065 0.518 135 HA TYR 23 HA TYR 23 -6.189 -4.066 -0.917 136 HB2 TYR 23 1HB TYR 23 -6.659 -2.290 1.422 137 HB3 TYR 23 2HB TYR 23 -8.055 -2.707 0.434 138 HD1 TYR 23 HD1 TYR 23 -5.342 -5.111 0.677 139 HD2 TYR 23 HD2 TYR 23 -9.034 -3.865 2.385 140 HE1 TYR 23 HE1 TYR 23 -5.521 -7.267 1.848 141 HE2 TYR 23 HE2 TYR 23 -9.223 -6.017 3.561 142 HH TYR 23 HH TYR 23 -6.613 -8.358 3.541 143 H THR 24 H THR 24 -5.425 -0.683 -0.937 144 HA THR 24 HA THR 24 -7.271 -0.309 -3.206 145 HB THR 24 HB THR 24 -7.394 2.094 -2.585 146 HG1 THR 24 HG1 THR 24 -5.650 1.200 -0.601 147 HG21 THR 24 3HG2 THR 24 -8.287 0.125 -0.477 148 HG22 THR 24 1HG2 THR 24 -9.194 0.633 -1.901 149 HG23 THR 24 2HG2 THR 24 -8.865 1.786 -0.608 150 H ASN 25 H ASN 25 -6.490 0.683 -5.018 151 HA ASN 25 HA ASN 25 -3.841 0.478 -5.707 152 HB2 ASN 25 1HB ASN 25 -5.230 0.785 -7.531 153 HB3 ASN 25 2HB ASN 25 -6.110 2.108 -6.772 154 HD21 ASN 25 1HD2 ASN 25 -5.766 3.987 -7.680 155 HD22 ASN 25 2HD2 ASN 25 -4.305 4.504 -8.445 156 H SER 26 H SER 26 -5.474 3.563 -4.958 157 HA SER 26 HA SER 26 -3.489 5.343 -4.989 158 HB2 SER 26 1HB SER 26 -5.537 5.028 -2.784 159 HB3 SER 26 2HB SER 26 -4.531 6.461 -2.993 160 HG SER 26 HG SER 26 -6.387 5.410 -4.868 161 H GLN 27 H GLN 27 -4.118 3.335 -2.107 162 HA GLN 27 HA GLN 27 -1.931 4.125 -0.602 163 HB2 GLN 27 1HB GLN 27 -3.569 1.622 -0.701 164 HB3 GLN 27 2HB GLN 27 -2.134 1.672 0.314 165 HG2 GLN 27 1HG GLN 27 -4.167 3.843 0.524 166 HG3 GLN 27 2HG GLN 27 -4.460 2.286 1.296 167 HE21 GLN 27 1HE2 GLN 27 -2.334 5.063 1.174 168 HE22 GLN 27 2HE2 GLN 27 -1.643 4.845 2.742 169 H CYS 28 H CYS 28 -2.153 1.214 -2.654 170 HA CYS 28 HA CYS 28 0.344 0.200 -2.436 171 HB2 CYS 28 1HB CYS 28 -1.284 -0.873 -3.844 172 HB3 CYS 28 2HB CYS 28 -1.310 0.498 -4.946 173 HG CYS 28 HG CYS 28 0.494 -2.188 -5.126 174 H TYR 29 H TYR 29 -0.588 2.937 -4.482 175 HA TYR 29 HA TYR 29 2.021 3.325 -5.562 176 HB2 TYR 29 1HB TYR 29 -0.212 4.103 -6.548 177 HB3 TYR 29 2HB TYR 29 -0.126 5.434 -5.399 178 HD1 TYR 29 HD2 TYR 29 2.370 6.565 -5.412 179 HD2 TYR 29 HD1 TYR 29 0.469 4.616 -8.682 180 HE1 TYR 29 HE2 TYR 29 3.779 7.833 -6.979 181 HE2 TYR 29 HE1 TYR 29 1.874 5.878 -10.258 182 HH TYR 29 HH TYR 29 4.078 8.398 -9.143 183 H SER 30 H SER 30 0.133 5.074 -3.100 184 HA SER 30 HA SER 30 1.806 7.069 -2.380 185 HB2 SER 30 1HB SER 30 -0.355 6.662 -1.283 186 HB3 SER 30 2HB SER 30 0.325 5.265 -0.449 187 HG SER 30 HG SER 30 1.943 6.938 0.317 188 H HIS 31 H HIS 31 2.320 3.670 -1.866 189 HA HIS 31 HA HIS 31 4.604 4.131 -0.120 190 HB2 HIS 31 1HB HIS 31 3.487 2.247 0.621 191 HB3 HIS 31 2HB HIS 31 3.066 1.727 -1.008 192 HD1 HIS 31 HD1 HIS 31 5.667 1.392 1.604 193 HD2 HIS 31 HD2 HIS 31 5.123 0.309 -2.370 194 HE1 HIS 31 HE1 HIS 31 7.459 -0.304 1.118 195 H GLN 32 H GLN 32 3.924 2.781 -3.331 196 HA GLN 32 HA GLN 32 6.398 1.946 -4.119 197 HB2 GLN 32 1HB GLN 32 4.084 2.143 -5.395 198 HB3 GLN 32 2HB GLN 32 4.839 3.582 -6.066 199 HG2 GLN 32 1HG GLN 32 6.802 2.062 -6.657 200 HG3 GLN 32 2HG GLN 32 5.701 0.726 -6.325 201 HE21 GLN 32 1HE2 GLN 32 4.507 0.021 -7.945 202 HE22 GLN 32 2HE2 GLN 32 4.185 0.872 -9.413 203 H ARG 33 H ARG 33 5.218 5.264 -3.972 204 HA ARG 33 HA ARG 33 7.427 6.469 -5.258 205 HB2 ARG 33 1HB ARG 33 6.535 8.532 -4.559 206 HB3 ARG 33 2HB ARG 33 5.136 7.489 -4.771 207 HG2 ARG 33 1HG ARG 33 5.491 7.031 -2.211 208 HG3 ARG 33 2HG ARG 33 6.328 8.583 -2.278 209 HD2 ARG 33 1HD ARG 33 3.661 8.370 -3.572 210 HD3 ARG 33 2HD ARG 33 3.725 8.408 -1.811 211 HE ARG 33 HE ARG 33 5.272 10.501 -2.502 212 HH11 ARG 33 1HH1 ARG 33 2.072 9.513 -3.452 213 HH12 ARG 33 2HH1 ARG 33 1.513 11.130 -3.726 214 HH21 ARG 33 1HH2 ARG 33 4.548 12.634 -2.858 215 HH22 ARG 33 2HH2 ARG 33 2.922 12.905 -3.389 216 H SER 34 H SER 34 6.777 5.598 -1.914 217 HA SER 34 HA SER 34 8.742 6.992 -0.582 218 HB2 SER 34 1HB SER 34 7.056 5.564 0.528 219 HB3 SER 34 2HB SER 34 7.905 4.131 -0.049 220 HG SER 34 HG SER 34 8.569 5.897 1.987 221 H HIS 35 H HIS 35 9.044 4.001 -2.430 222 HA HIS 35 HA HIS 35 11.635 3.277 -1.751 223 HB2 HIS 35 1HB HIS 35 9.927 2.866 -4.168 224 HB3 HIS 35 2HB HIS 35 11.631 2.429 -4.256 225 HD1 HIS 35 HD1 HIS 35 12.409 0.709 -2.259 226 HD2 HIS 35 HD2 HIS 35 8.352 0.922 -3.131 227 HE1 HIS 35 HE1 HIS 35 11.403 -1.383 -1.294 228 H SER 36 H SER 36 13.664 3.761 -2.547 229 HA SER 36 HA SER 36 13.839 6.295 -4.030 230 HB2 SER 36 1HB SER 36 16.133 6.457 -3.056 231 HB3 SER 36 2HB SER 36 14.860 6.425 -1.836 232 HG SER 36 HG SER 36 16.924 4.748 -2.153 233 H GLY 37 H GLY 37 13.519 5.094 -6.035 234 HA2 GLY 37 1HA GLY 37 14.686 4.632 -8.032 235 HA3 GLY 37 2HA GLY 37 16.089 4.172 -7.080 236 H GLU 38 H GLU 38 16.466 2.067 -6.729 237 HA GLU 38 HA GLU 38 14.302 0.136 -6.909 238 HB2 GLU 38 1HB GLU 38 16.447 0.433 -8.950 239 HB3 GLU 38 2HB GLU 38 15.991 -1.200 -8.485 240 HG2 GLU 38 1HG GLU 38 13.876 -1.009 -9.356 241 HG3 GLU 38 2HG GLU 38 13.862 0.748 -9.218 242 H LYS 39 H LYS 39 14.983 -2.039 -6.262 243 HA LYS 39 HA LYS 39 17.310 -1.943 -4.456 244 HB2 LYS 39 1HB LYS 39 14.945 -2.134 -3.463 245 HB3 LYS 39 2HB LYS 39 14.945 -3.773 -4.103 246 HG2 LYS 39 1HG LYS 39 16.732 -4.423 -2.706 247 HG3 LYS 39 2HG LYS 39 17.092 -2.752 -2.266 248 HD2 LYS 39 1HD LYS 39 14.414 -3.941 -1.649 249 HD3 LYS 39 2HD LYS 39 15.795 -4.253 -0.595 250 HE2 LYS 39 1HE LYS 39 16.058 -1.633 -0.744 251 HE3 LYS 39 2HE LYS 39 14.340 -1.710 -1.130 252 HZ1 LYS 39 3HZ LYS 39 14.741 -1.427 1.249 253 HZ2 LYS 39 1HZ LYS 39 15.598 -2.885 1.290 254 HZ3 LYS 39 2HZ LYS 39 13.946 -2.885 0.926 255 HA PRO 40 HA PRO 40 19.028 -5.184 -6.921 256 HB2 PRO 40 1HB PRO 40 20.966 -5.966 -5.188 257 HB3 PRO 40 2HB PRO 40 21.069 -4.479 -6.137 258 HG2 PRO 40 1HG PRO 40 20.249 -4.852 -3.282 259 HG3 PRO 40 2HG PRO 40 21.295 -3.608 -3.992 260 HD2 PRO 40 1HD PRO 40 18.697 -3.151 -3.378 261 HD3 PRO 40 2HD PRO 40 19.510 -2.357 -4.742 262 H SER 41 H SER 41 17.123 -5.590 -4.264 263 HA SER 41 HA SER 41 17.560 -8.089 -3.234 264 HB2 SER 41 1HB SER 41 15.290 -8.125 -2.578 265 HB3 SER 41 2HB SER 41 15.698 -6.411 -2.672 266 HG SER 41 HG SER 41 14.879 -7.075 -5.062 267 H GLY 42 H GLY 42 16.344 -10.133 -3.671 268 HA2 GLY 42 1HA GLY 42 15.092 -10.880 -5.976 269 HA3 GLY 42 2HA GLY 42 16.797 -10.919 -6.401 270 HA PRO 43 HA PRO 43 15.279 -14.722 -3.846 271 HB2 PRO 43 1HB PRO 43 14.284 -16.335 -5.790 272 HB3 PRO 43 2HB PRO 43 13.279 -15.213 -4.865 273 HG2 PRO 43 1HG PRO 43 14.447 -14.895 -7.604 274 HG3 PRO 43 2HG PRO 43 12.823 -14.481 -7.025 275 HD2 PRO 43 1HD PRO 43 14.774 -12.630 -7.334 276 HD3 PRO 43 2HD PRO 43 13.527 -12.502 -6.077 277 H SER 44 H SER 44 17.294 -15.470 -3.479 278 HA SER 44 HA SER 44 19.393 -15.817 -5.165 279 HB2 SER 44 1HB SER 44 19.498 -16.164 -2.716 280 HB3 SER 44 2HB SER 44 18.666 -17.707 -2.912 281 HG SER 44 HG SER 44 20.533 -18.103 -4.466 282 H SER 45 H SER 45 17.147 -18.452 -4.299 283 HA SER 45 HA SER 45 17.510 -19.554 -6.994 284 HB2 SER 45 1HB SER 45 17.750 -21.820 -6.099 285 HB3 SER 45 2HB SER 45 19.029 -20.778 -5.476 286 HG SER 45 HG SER 45 18.287 -21.783 -3.705 287 H GLY 46 H GLY 46 15.582 -19.721 -7.913 288 HA2 GLY 46 1HA GLY 46 13.219 -20.051 -6.193 289 HA3 GLY 46 2HA GLY 46 13.209 -19.412 -7.830 Start of MODEL 10 1 H1 GLY 1 H GLY 1 13.138 -24.543 1.273 2 HA2 GLY 1 1HA GLY 1 12.875 -24.167 3.843 3 HA3 GLY 1 2HA GLY 1 13.436 -22.558 3.413 4 H SER 2 H SER 2 12.102 -22.144 1.028 5 HA SER 2 HA SER 2 9.299 -22.108 1.935 6 HB2 SER 2 1HB SER 2 9.026 -20.063 0.608 7 HB3 SER 2 2HB SER 2 10.329 -19.873 1.780 8 HG SER 2 HG SER 2 10.887 -19.114 -0.325 9 H SER 3 H SER 3 8.652 -24.031 0.988 10 HA SER 3 HA SER 3 8.887 -24.207 -1.938 11 HB2 SER 3 1HB SER 3 8.464 -26.588 -1.706 12 HB3 SER 3 2HB SER 3 9.771 -26.126 -0.617 13 HG SER 3 HG SER 3 7.996 -25.919 0.999 14 H GLY 4 H GLY 4 6.964 -25.318 -3.003 15 HA2 GLY 4 1HA GLY 4 4.735 -25.308 -3.555 16 HA3 GLY 4 2HA GLY 4 4.398 -25.218 -1.832 17 H SER 5 H SER 5 3.637 -23.763 -4.559 18 HA SER 5 HA SER 5 3.513 -21.098 -3.310 19 HB2 SER 5 1HB SER 5 4.046 -21.780 -6.207 20 HB3 SER 5 2HB SER 5 3.622 -20.161 -5.652 21 HG SER 5 HG SER 5 5.935 -20.656 -5.844 22 H SER 6 H SER 6 1.429 -21.604 -2.519 23 HA SER 6 HA SER 6 -0.654 -21.543 -4.599 24 HB2 SER 6 1HB SER 6 -0.768 -23.762 -3.769 25 HB3 SER 6 2HB SER 6 -0.549 -23.233 -2.101 26 HG SER 6 HG SER 6 -2.731 -22.131 -3.357 27 H GLY 7 H GLY 7 -1.411 -19.518 -4.483 28 HA2 GLY 7 1HA GLY 7 -2.226 -17.550 -3.611 29 HA3 GLY 7 2HA GLY 7 -3.079 -18.612 -2.501 30 H SER 8 H SER 8 0.366 -17.788 -2.862 31 HA SER 8 HA SER 8 0.761 -17.663 -0.047 32 HB2 SER 8 1HB SER 8 2.523 -18.234 -1.771 33 HB3 SER 8 2HB SER 8 2.581 -16.517 -2.172 34 HG SER 8 HG SER 8 4.033 -17.577 -0.415 35 H GLY 9 H GLY 9 -0.769 -16.148 0.707 36 HA2 GLY 9 1HA GLY 9 -1.645 -14.049 1.136 37 HA3 GLY 9 2HA GLY 9 0.055 -13.652 1.342 38 H GLU 10 H GLU 10 -2.462 -13.950 -1.148 39 HA GLU 10 HA GLU 10 -1.005 -12.069 -2.842 40 HB2 GLU 10 1HB GLU 10 -1.956 -14.125 -3.845 41 HB3 GLU 10 2HB GLU 10 -3.565 -13.579 -3.394 42 HG2 GLU 10 1HG GLU 10 -3.442 -12.960 -5.602 43 HG3 GLU 10 2HG GLU 10 -2.972 -11.475 -4.777 44 H LYS 11 H LYS 11 -1.932 -10.142 -3.621 45 HA LYS 11 HA LYS 11 -4.348 -9.198 -2.254 46 HB2 LYS 11 1HB LYS 11 -1.607 -8.054 -2.063 47 HB3 LYS 11 2HB LYS 11 -2.948 -6.922 -2.181 48 HG2 LYS 11 1HG LYS 11 -3.781 -7.476 -0.132 49 HG3 LYS 11 2HG LYS 11 -3.142 -9.120 -0.193 50 HD2 LYS 11 1HD LYS 11 -0.829 -7.832 -0.137 51 HD3 LYS 11 2HD LYS 11 -1.816 -6.587 0.633 52 HE2 LYS 11 1HE LYS 11 -2.236 -7.871 2.481 53 HE3 LYS 11 2HE LYS 11 -2.077 -9.388 1.597 54 HZ1 LYS 11 3HZ LYS 11 0.407 -8.452 1.429 55 HZ2 LYS 11 1HZ LYS 11 -0.122 -9.467 2.675 56 HZ3 LYS 11 2HZ LYS 11 -0.046 -7.795 2.921 57 HA PRO 12 HA PRO 12 -5.463 -7.506 -6.148 58 HB2 PRO 12 1HB PRO 12 -6.854 -5.298 -5.401 59 HB3 PRO 12 2HB PRO 12 -7.477 -6.939 -5.198 60 HG2 PRO 12 1HG PRO 12 -6.172 -5.146 -3.187 61 HG3 PRO 12 2HG PRO 12 -7.597 -6.185 -3.001 62 HD2 PRO 12 1HD PRO 12 -5.144 -6.902 -2.106 63 HD3 PRO 12 2HD PRO 12 -6.327 -8.085 -2.700 64 H PHE 13 H PHE 13 -3.470 -5.754 -3.981 65 HA PHE 13 HA PHE 13 -2.227 -4.344 -6.166 66 HB2 PHE 13 1HB PHE 13 -3.499 -2.772 -3.915 67 HB3 PHE 13 2HB PHE 13 -2.480 -2.105 -5.187 68 HD1 PHE 13 HD2 PHE 13 -5.769 -3.476 -4.373 69 HD2 PHE 13 HD1 PHE 13 -3.317 -1.816 -7.430 70 HE1 PHE 13 HE2 PHE 13 -7.759 -3.138 -5.781 71 HE2 PHE 13 HE1 PHE 13 -5.302 -1.473 -8.842 72 HZ PHE 13 HZ PHE 13 -7.527 -2.136 -8.019 73 H LYS 14 H LYS 14 -0.180 -4.883 -5.803 74 HA LYS 14 HA LYS 14 0.914 -4.453 -3.106 75 HB2 LYS 14 1HB LYS 14 2.485 -6.421 -3.721 76 HB3 LYS 14 2HB LYS 14 0.857 -6.778 -3.160 77 HG2 LYS 14 1HG LYS 14 0.116 -7.154 -5.427 78 HG3 LYS 14 2HG LYS 14 1.699 -6.684 -6.050 79 HD2 LYS 14 1HD LYS 14 2.607 -8.585 -4.567 80 HD3 LYS 14 2HD LYS 14 0.932 -9.140 -4.506 81 HE2 LYS 14 1HE LYS 14 2.447 -8.617 -7.059 82 HE3 LYS 14 2HE LYS 14 2.324 -10.201 -6.294 83 HZ1 LYS 14 3HZ LYS 14 -0.171 -8.776 -6.793 84 HZ2 LYS 14 1HZ LYS 14 0.171 -10.429 -6.900 85 HZ3 LYS 14 2HZ LYS 14 0.640 -9.387 -8.146 86 H CYS 15 H CYS 15 3.131 -3.861 -3.019 87 HA CYS 15 HA CYS 15 3.943 -2.088 -5.054 88 HB2 CYS 15 1HB CYS 15 4.588 -1.926 -2.639 89 HB3 CYS 15 2HB CYS 15 5.675 -3.289 -2.886 90 H GLU 16 H GLU 16 5.639 -2.206 -6.543 91 HA GLU 16 HA GLU 16 6.176 -4.901 -7.504 92 HB2 GLU 16 1HB GLU 16 6.543 -3.984 -9.570 93 HB3 GLU 16 2HB GLU 16 5.482 -2.757 -8.892 94 HG2 GLU 16 1HG GLU 16 7.391 -1.377 -8.328 95 HG3 GLU 16 2HG GLU 16 8.488 -2.620 -8.928 96 H GLU 17 H GLU 17 7.729 -2.399 -5.758 97 HA GLU 17 HA GLU 17 10.424 -3.117 -6.426 98 HB2 GLU 17 1HB GLU 17 9.189 -1.364 -4.316 99 HB3 GLU 17 2HB GLU 17 10.913 -1.707 -4.325 100 HG2 GLU 17 1HG GLU 17 9.531 -0.616 -6.746 101 HG3 GLU 17 2HG GLU 17 10.092 0.439 -5.449 102 H CYS 18 H CYS 18 8.612 -3.358 -3.359 103 HA CYS 18 HA CYS 18 10.364 -5.577 -2.577 104 HB2 CYS 18 1HB CYS 18 9.342 -5.189 -0.294 105 HB3 CYS 18 2HB CYS 18 10.325 -3.868 -0.919 106 H GLY 19 H GLY 19 6.914 -4.676 -2.531 107 HA2 GLY 19 1HA GLY 19 5.438 -6.406 -3.596 108 HA3 GLY 19 2HA GLY 19 6.280 -7.563 -2.575 109 H LYS 20 H LYS 20 5.610 -4.455 -1.251 110 HA LYS 20 HA LYS 20 4.355 -5.275 1.018 111 HB2 LYS 20 1HB LYS 20 5.018 -2.867 0.055 112 HB3 LYS 20 2HB LYS 20 3.281 -2.787 -0.205 113 HG2 LYS 20 1HG LYS 20 3.300 -1.955 1.884 114 HG3 LYS 20 2HG LYS 20 3.310 -3.664 2.328 115 HD2 LYS 20 1HD LYS 20 5.549 -3.640 2.889 116 HD3 LYS 20 2HD LYS 20 5.900 -2.252 1.856 117 HE2 LYS 20 1HE LYS 20 6.021 -1.600 4.183 118 HE3 LYS 20 2HE LYS 20 4.646 -0.811 3.411 119 HZ1 LYS 20 3HZ LYS 20 4.222 -1.785 5.667 120 HZ2 LYS 20 1HZ LYS 20 4.389 -3.318 4.969 121 HZ3 LYS 20 2HZ LYS 20 3.153 -2.285 4.454 122 H GLY 21 H GLY 21 2.028 -4.869 1.680 123 HA2 GLY 21 1HA GLY 21 0.240 -5.917 -0.428 124 HA3 GLY 21 2HA GLY 21 0.118 -6.372 1.265 125 H PHE 22 H PHE 22 -1.479 -4.745 -0.954 126 HA PHE 22 HA PHE 22 -2.617 -2.897 1.007 127 HB2 PHE 22 1HB PHE 22 -2.021 -2.024 -1.822 128 HB3 PHE 22 2HB PHE 22 -2.621 -1.032 -0.498 129 HD1 PHE 22 HD1 PHE 22 -1.044 -0.970 1.618 130 HD2 PHE 22 HD2 PHE 22 0.213 -1.927 -2.334 131 HE1 PHE 22 HE1 PHE 22 1.265 -0.359 2.208 132 HE2 PHE 22 HE2 PHE 22 2.524 -1.318 -1.750 133 HZ PHE 22 HZ PHE 22 3.053 -0.534 0.523 134 H TYR 23 H TYR 23 -4.774 -2.157 0.437 135 HA TYR 23 HA TYR 23 -6.190 -4.175 -1.158 136 HB2 TYR 23 1HB TYR 23 -6.886 -2.561 1.241 137 HB3 TYR 23 2HB TYR 23 -8.191 -2.939 0.121 138 HD1 TYR 23 HD1 TYR 23 -5.456 -5.310 0.414 139 HD2 TYR 23 HD2 TYR 23 -9.285 -4.232 1.925 140 HE1 TYR 23 HE1 TYR 23 -5.676 -7.539 1.429 141 HE2 TYR 23 HE2 TYR 23 -9.515 -6.459 2.945 142 HH TYR 23 HH TYR 23 -8.568 -8.773 2.545 143 H THR 24 H THR 24 -5.644 -0.741 -0.817 144 HA THR 24 HA THR 24 -7.391 -0.237 -3.134 145 HB THR 24 HB THR 24 -7.380 2.131 -2.455 146 HG1 THR 24 HG1 THR 24 -6.206 1.420 0.005 147 HG21 THR 24 3HG2 THR 24 -8.485 -0.056 -0.876 148 HG22 THR 24 1HG2 THR 24 -9.255 1.422 -1.451 149 HG23 THR 24 2HG2 THR 24 -8.320 1.439 0.045 150 H ASN 25 H ASN 25 -6.622 0.873 -4.912 151 HA ASN 25 HA ASN 25 -3.934 0.509 -5.610 152 HB2 ASN 25 1HB ASN 25 -5.917 0.803 -7.173 153 HB3 ASN 25 2HB ASN 25 -5.784 2.534 -6.874 154 HD21 ASN 25 1HD2 ASN 25 -5.574 1.699 -9.399 155 HD22 ASN 25 2HD2 ASN 25 -3.942 1.806 -9.956 156 H SER 26 H SER 26 -5.670 3.487 -4.717 157 HA SER 26 HA SER 26 -3.725 5.365 -4.963 158 HB2 SER 26 1HB SER 26 -5.973 5.008 -3.043 159 HB3 SER 26 2HB SER 26 -4.781 6.254 -2.672 160 HG SER 26 HG SER 26 -6.332 7.205 -3.928 161 H GLN 27 H GLN 27 -4.172 3.237 -2.148 162 HA GLN 27 HA GLN 27 -2.007 4.203 -0.650 163 HB2 GLN 27 1HB GLN 27 -3.648 1.719 -0.641 164 HB3 GLN 27 2HB GLN 27 -2.133 1.700 0.252 165 HG2 GLN 27 1HG GLN 27 -4.094 2.290 1.631 166 HG3 GLN 27 2HG GLN 27 -2.839 3.528 1.620 167 HE21 GLN 27 1HE2 GLN 27 -6.083 2.985 1.376 168 HE22 GLN 27 2HE2 GLN 27 -6.560 4.457 0.608 169 H CYS 28 H CYS 28 -2.213 1.384 -2.815 170 HA CYS 28 HA CYS 28 0.333 0.396 -2.577 171 HB2 CYS 28 1HB CYS 28 -1.334 -0.732 -3.919 172 HB3 CYS 28 2HB CYS 28 -1.372 0.602 -5.064 173 HG CYS 28 HG CYS 28 0.216 -2.057 -5.481 174 H TYR 29 H TYR 29 -0.754 3.067 -4.634 175 HA TYR 29 HA TYR 29 1.749 3.523 -5.874 176 HB2 TYR 29 1HB TYR 29 -0.644 4.363 -6.513 177 HB3 TYR 29 2HB TYR 29 -0.255 5.715 -5.456 178 HD1 TYR 29 HD2 TYR 29 2.375 6.504 -5.954 179 HD2 TYR 29 HD1 TYR 29 -0.393 4.869 -8.741 180 HE1 TYR 29 HE2 TYR 29 3.591 7.596 -7.792 181 HE2 TYR 29 HE1 TYR 29 0.815 5.956 -10.587 182 HH TYR 29 HH TYR 29 3.602 6.841 -10.693 183 H SER 30 H SER 30 0.142 5.050 -3.100 184 HA SER 30 HA SER 30 1.897 7.056 -2.496 185 HB2 SER 30 1HB SER 30 -0.250 6.401 -1.272 186 HB3 SER 30 2HB SER 30 0.742 5.266 -0.357 187 HG SER 30 HG SER 30 2.088 7.388 -0.127 188 H HIS 31 H HIS 31 2.098 3.739 -1.197 189 HA HIS 31 HA HIS 31 4.531 4.019 0.122 190 HB2 HIS 31 1HB HIS 31 3.357 2.071 0.645 191 HB3 HIS 31 2HB HIS 31 3.081 1.666 -1.046 192 HD1 HIS 31 HD1 HIS 31 5.433 1.144 1.745 193 HD2 HIS 31 HD2 HIS 31 5.341 0.491 -2.357 194 HE1 HIS 31 HE1 HIS 31 7.332 -0.435 1.273 195 H GLN 32 H GLN 32 3.934 2.742 -3.152 196 HA GLN 32 HA GLN 32 6.371 2.063 -4.030 197 HB2 GLN 32 1HB GLN 32 4.080 2.461 -5.301 198 HB3 GLN 32 2HB GLN 32 4.881 3.945 -5.800 199 HG2 GLN 32 1HG GLN 32 6.715 2.657 -6.744 200 HG3 GLN 32 2HG GLN 32 5.945 1.161 -6.217 201 HE21 GLN 32 1HE2 GLN 32 4.785 0.149 -7.681 202 HE22 GLN 32 2HE2 GLN 32 4.058 0.859 -9.078 203 H ARG 33 H ARG 33 5.210 5.433 -4.023 204 HA ARG 33 HA ARG 33 7.348 6.761 -5.029 205 HB2 ARG 33 1HB ARG 33 5.796 7.598 -2.572 206 HB3 ARG 33 2HB ARG 33 6.741 8.662 -3.605 207 HG2 ARG 33 1HG ARG 33 5.220 8.007 -5.494 208 HG3 ARG 33 2HG ARG 33 4.206 7.204 -4.294 209 HD2 ARG 33 1HD ARG 33 4.929 10.131 -4.380 210 HD3 ARG 33 2HD ARG 33 3.355 9.425 -4.744 211 HE ARG 33 HE ARG 33 4.323 8.833 -2.099 212 HH11 ARG 33 1HH1 ARG 33 2.553 11.086 -4.077 213 HH12 ARG 33 2HH1 ARG 33 1.660 11.750 -2.750 214 HH21 ARG 33 1HH2 ARG 33 3.153 9.700 -0.343 215 HH22 ARG 33 2HH2 ARG 33 2.002 10.962 -0.626 216 H SER 34 H SER 34 7.024 5.604 -1.690 217 HA SER 34 HA SER 34 9.187 6.626 -0.445 218 HB2 SER 34 1HB SER 34 7.750 5.089 0.719 219 HB3 SER 34 2HB SER 34 8.205 3.767 -0.355 220 HG SER 34 HG SER 34 10.300 5.008 0.949 221 H HIS 35 H HIS 35 9.284 3.727 -2.513 222 HA HIS 35 HA HIS 35 12.028 3.255 -2.354 223 HB2 HIS 35 1HB HIS 35 10.017 2.651 -4.520 224 HB3 HIS 35 2HB HIS 35 11.694 2.123 -4.615 225 HD1 HIS 35 HD1 HIS 35 12.477 0.472 -2.639 226 HD2 HIS 35 HD2 HIS 35 8.381 1.021 -3.067 227 HE1 HIS 35 HE1 HIS 35 11.409 -1.427 -1.383 228 H SER 36 H SER 36 13.789 4.047 -3.379 229 HA SER 36 HA SER 36 13.348 6.221 -5.321 230 HB2 SER 36 1HB SER 36 15.279 6.019 -3.024 231 HB3 SER 36 2HB SER 36 15.625 7.064 -4.402 232 HG SER 36 HG SER 36 14.334 8.452 -3.524 233 H GLY 37 H GLY 37 13.659 5.047 -7.177 234 HA2 GLY 37 1HA GLY 37 15.158 4.484 -8.903 235 HA3 GLY 37 2HA GLY 37 16.419 4.254 -7.701 236 H GLU 38 H GLU 38 15.984 2.450 -9.779 237 HA GLU 38 HA GLU 38 14.583 0.188 -8.565 238 HB2 GLU 38 1HB GLU 38 14.145 0.751 -10.944 239 HB3 GLU 38 2HB GLU 38 15.833 0.423 -11.308 240 HG2 GLU 38 1HG GLU 38 14.577 -1.485 -11.939 241 HG3 GLU 38 2HG GLU 38 15.484 -1.904 -10.487 242 H LYS 39 H LYS 39 15.577 -1.769 -8.111 243 HA LYS 39 HA LYS 39 18.475 -1.960 -8.424 244 HB2 LYS 39 1HB LYS 39 17.000 -1.878 -5.818 245 HB3 LYS 39 2HB LYS 39 18.451 -2.862 -5.959 246 HG2 LYS 39 1HG LYS 39 19.498 -0.673 -6.916 247 HG3 LYS 39 2HG LYS 39 18.149 0.101 -6.082 248 HD2 LYS 39 1HD LYS 39 18.956 -1.442 -4.093 249 HD3 LYS 39 2HD LYS 39 20.486 -1.373 -4.970 250 HE2 LYS 39 1HE LYS 39 18.944 1.121 -4.343 251 HE3 LYS 39 2HE LYS 39 20.017 0.393 -3.149 252 HZ1 LYS 39 3HZ LYS 39 20.832 1.237 -5.878 253 HZ2 LYS 39 1HZ LYS 39 21.849 0.608 -4.681 254 HZ3 LYS 39 2HZ LYS 39 21.118 2.118 -4.462 255 HA PRO 40 HA PRO 40 17.647 -6.183 -9.294 256 HB2 PRO 40 1HB PRO 40 19.943 -7.354 -8.440 257 HB3 PRO 40 2HB PRO 40 19.855 -6.365 -9.903 258 HG2 PRO 40 1HG PRO 40 20.808 -5.617 -7.166 259 HG3 PRO 40 2HG PRO 40 21.518 -5.226 -8.743 260 HD2 PRO 40 1HD PRO 40 20.013 -3.461 -7.345 261 HD3 PRO 40 2HD PRO 40 20.041 -3.497 -9.120 262 H SER 41 H SER 41 17.546 -8.370 -8.305 263 HA SER 41 HA SER 41 16.793 -8.156 -5.472 264 HB2 SER 41 1HB SER 41 15.776 -9.770 -7.763 265 HB3 SER 41 2HB SER 41 15.692 -10.488 -6.154 266 HG SER 41 HG SER 41 14.270 -9.007 -5.543 267 H GLY 42 H GLY 42 18.149 -10.588 -7.711 268 HA2 GLY 42 1HA GLY 42 20.411 -11.435 -7.128 269 HA3 GLY 42 2HA GLY 42 19.835 -11.524 -5.470 270 HA PRO 43 HA PRO 43 18.853 -15.417 -8.142 271 HB2 PRO 43 1HB PRO 43 21.132 -16.864 -7.854 272 HB3 PRO 43 2HB PRO 43 20.856 -15.766 -9.212 273 HG2 PRO 43 1HG PRO 43 22.425 -15.317 -6.702 274 HG3 PRO 43 2HG PRO 43 22.835 -14.881 -8.371 275 HD2 PRO 43 1HD PRO 43 21.851 -13.088 -6.596 276 HD3 PRO 43 2HD PRO 43 21.511 -12.995 -8.337 277 H SER 44 H SER 44 19.913 -14.545 -5.062 278 HA SER 44 HA SER 44 20.106 -16.899 -3.640 279 HB2 SER 44 1HB SER 44 18.704 -14.405 -2.656 280 HB3 SER 44 2HB SER 44 19.501 -15.634 -1.674 281 HG SER 44 HG SER 44 21.382 -14.774 -2.115 282 H SER 45 H SER 45 18.702 -18.469 -4.435 283 HA SER 45 HA SER 45 16.125 -18.535 -3.197 284 HB2 SER 45 1HB SER 45 16.300 -18.248 -6.201 285 HB3 SER 45 2HB SER 45 14.874 -18.869 -5.371 286 HG SER 45 HG SER 45 14.354 -16.902 -4.875 287 H GLY 46 H GLY 46 15.860 -20.567 -2.565 288 HA2 GLY 46 1HA GLY 46 16.410 -22.772 -4.357 289 HA3 GLY 46 2HA GLY 46 17.482 -22.684 -2.967 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.341 -25.819 -8.036 2 HA2 GLY 1 1HA GLY 1 9.333 -23.521 -6.590 3 HA3 GLY 1 2HA GLY 1 8.217 -23.500 -7.947 4 H SER 2 H SER 2 6.120 -23.145 -7.556 5 HA SER 2 HA SER 2 5.210 -22.229 -5.103 6 HB2 SER 2 1HB SER 2 3.836 -23.182 -7.589 7 HB3 SER 2 2HB SER 2 2.875 -22.826 -6.154 8 HG SER 2 HG SER 2 3.895 -20.732 -6.158 9 H SER 3 H SER 3 4.593 -25.400 -6.606 10 HA SER 3 HA SER 3 3.905 -27.389 -5.736 11 HB2 SER 3 1HB SER 3 5.469 -26.352 -3.361 12 HB3 SER 3 2HB SER 3 4.918 -28.016 -3.546 13 HG SER 3 HG SER 3 7.162 -27.095 -4.377 14 H GLY 4 H GLY 4 1.975 -25.397 -5.615 15 HA2 GLY 4 1HA GLY 4 -0.057 -24.941 -4.651 16 HA3 GLY 4 2HA GLY 4 0.113 -26.487 -3.834 17 H SER 5 H SER 5 2.133 -23.594 -3.522 18 HA SER 5 HA SER 5 2.174 -23.755 -0.696 19 HB2 SER 5 1HB SER 5 3.163 -21.818 -2.737 20 HB3 SER 5 2HB SER 5 3.042 -21.263 -1.067 21 HG SER 5 HG SER 5 4.808 -23.020 -2.211 22 H SER 6 H SER 6 0.055 -23.748 0.059 23 HA SER 6 HA SER 6 -1.717 -21.556 -0.576 24 HB2 SER 6 1HB SER 6 -3.360 -22.706 0.684 25 HB3 SER 6 2HB SER 6 -2.430 -23.973 -0.116 26 HG SER 6 HG SER 6 -1.740 -24.648 1.759 27 H GLY 7 H GLY 7 -2.677 -20.181 1.076 28 HA2 GLY 7 1HA GLY 7 -2.263 -19.703 3.611 29 HA3 GLY 7 2HA GLY 7 -0.645 -19.349 3.021 30 H SER 8 H SER 8 -2.542 -17.574 4.342 31 HA SER 8 HA SER 8 -3.592 -15.792 2.352 32 HB2 SER 8 1HB SER 8 -3.394 -15.749 5.347 33 HB3 SER 8 2HB SER 8 -3.825 -14.278 4.474 34 HG SER 8 HG SER 8 -5.165 -16.773 4.266 35 H GLY 9 H GLY 9 -2.591 -14.158 1.367 36 HA2 GLY 9 1HA GLY 9 -0.644 -12.497 2.531 37 HA3 GLY 9 2HA GLY 9 0.174 -13.734 1.588 38 H GLU 10 H GLU 10 -1.377 -14.039 -0.596 39 HA GLU 10 HA GLU 10 -0.635 -11.941 -2.250 40 HB2 GLU 10 1HB GLU 10 -1.257 -14.224 -3.014 41 HB3 GLU 10 2HB GLU 10 -2.943 -13.842 -2.693 42 HG2 GLU 10 1HG GLU 10 -2.799 -13.466 -4.949 43 HG3 GLU 10 2HG GLU 10 -2.530 -11.849 -4.301 44 H LYS 11 H LYS 11 -1.663 -10.157 -3.089 45 HA LYS 11 HA LYS 11 -4.306 -9.479 -2.002 46 HB2 LYS 11 1HB LYS 11 -1.758 -7.968 -1.717 47 HB3 LYS 11 2HB LYS 11 -3.222 -7.037 -2.007 48 HG2 LYS 11 1HG LYS 11 -4.147 -7.599 0.012 49 HG3 LYS 11 2HG LYS 11 -3.235 -9.106 0.134 50 HD2 LYS 11 1HD LYS 11 -1.173 -7.761 0.483 51 HD3 LYS 11 2HD LYS 11 -2.172 -6.306 0.502 52 HE2 LYS 11 1HE LYS 11 -3.356 -7.091 2.449 53 HE3 LYS 11 2HE LYS 11 -2.514 -8.638 2.384 54 HZ1 LYS 11 3HZ LYS 11 -0.425 -7.432 2.775 55 HZ2 LYS 11 1HZ LYS 11 -1.523 -7.241 4.048 56 HZ3 LYS 11 2HZ LYS 11 -1.292 -5.988 2.936 57 HA PRO 12 HA PRO 12 -5.350 -8.152 -6.051 58 HB2 PRO 12 1HB PRO 12 -6.938 -6.005 -5.562 59 HB3 PRO 12 2HB PRO 12 -7.447 -7.668 -5.246 60 HG2 PRO 12 1HG PRO 12 -6.385 -5.617 -3.341 61 HG3 PRO 12 2HG PRO 12 -7.736 -6.746 -3.131 62 HD2 PRO 12 1HD PRO 12 -5.286 -7.192 -2.067 63 HD3 PRO 12 2HD PRO 12 -6.346 -8.509 -2.609 64 H PHE 13 H PHE 13 -3.635 -6.050 -3.947 65 HA PHE 13 HA PHE 13 -2.398 -4.729 -6.199 66 HB2 PHE 13 1HB PHE 13 -3.978 -3.171 -4.146 67 HB3 PHE 13 2HB PHE 13 -2.816 -2.442 -5.250 68 HD1 PHE 13 HD2 PHE 13 -6.003 -4.308 -5.084 69 HD2 PHE 13 HD1 PHE 13 -3.409 -1.911 -7.459 70 HE1 PHE 13 HE2 PHE 13 -7.766 -4.093 -6.787 71 HE2 PHE 13 HE1 PHE 13 -5.167 -1.691 -9.165 72 HZ PHE 13 HZ PHE 13 -7.349 -2.784 -8.831 73 H LYS 14 H LYS 14 -0.328 -5.069 -5.742 74 HA LYS 14 HA LYS 14 0.647 -4.343 -3.066 75 HB2 LYS 14 1HB LYS 14 2.271 -6.257 -3.247 76 HB3 LYS 14 2HB LYS 14 0.592 -6.726 -3.017 77 HG2 LYS 14 1HG LYS 14 1.151 -8.177 -4.666 78 HG3 LYS 14 2HG LYS 14 0.640 -6.814 -5.663 79 HD2 LYS 14 1HD LYS 14 2.874 -6.156 -6.074 80 HD3 LYS 14 2HD LYS 14 3.497 -7.214 -4.806 81 HE2 LYS 14 1HE LYS 14 3.985 -8.446 -6.682 82 HE3 LYS 14 2HE LYS 14 2.402 -9.096 -6.259 83 HZ1 LYS 14 3HZ LYS 14 1.912 -8.631 -8.376 84 HZ2 LYS 14 1HZ LYS 14 3.204 -7.554 -8.562 85 HZ3 LYS 14 2HZ LYS 14 1.760 -7.029 -7.854 86 H CYS 15 H CYS 15 2.976 -3.878 -3.012 87 HA CYS 15 HA CYS 15 3.726 -2.098 -5.062 88 HB2 CYS 15 1HB CYS 15 4.495 -1.943 -2.701 89 HB3 CYS 15 2HB CYS 15 5.504 -3.361 -2.967 90 H GLU 16 H GLU 16 5.434 -2.216 -6.574 91 HA GLU 16 HA GLU 16 5.838 -4.906 -7.626 92 HB2 GLU 16 1HB GLU 16 6.149 -3.955 -9.685 93 HB3 GLU 16 2HB GLU 16 5.154 -2.711 -8.942 94 HG2 GLU 16 1HG GLU 16 6.783 -1.388 -9.772 95 HG3 GLU 16 2HG GLU 16 7.530 -1.778 -8.225 96 H GLU 17 H GLU 17 7.558 -2.384 -6.011 97 HA GLU 17 HA GLU 17 10.189 -3.184 -6.754 98 HB2 GLU 17 1HB GLU 17 9.083 -1.458 -4.552 99 HB3 GLU 17 2HB GLU 17 10.798 -1.834 -4.647 100 HG2 GLU 17 1HG GLU 17 9.183 -0.471 -6.791 101 HG3 GLU 17 2HG GLU 17 10.271 0.326 -5.656 102 H CYS 18 H CYS 18 8.454 -3.498 -3.650 103 HA CYS 18 HA CYS 18 10.192 -5.777 -2.998 104 HB2 CYS 18 1HB CYS 18 9.337 -5.402 -0.650 105 HB3 CYS 18 2HB CYS 18 10.318 -4.097 -1.309 106 H GLY 19 H GLY 19 6.792 -4.736 -2.729 107 HA2 GLY 19 1HA GLY 19 5.256 -6.476 -3.790 108 HA3 GLY 19 2HA GLY 19 6.025 -7.584 -2.663 109 H LYS 20 H LYS 20 5.761 -4.562 -1.266 110 HA LYS 20 HA LYS 20 4.287 -5.155 0.887 111 HB2 LYS 20 1HB LYS 20 5.309 -2.890 0.142 112 HB3 LYS 20 2HB LYS 20 3.712 -2.562 -0.519 113 HG2 LYS 20 1HG LYS 20 3.450 -1.633 1.530 114 HG3 LYS 20 2HG LYS 20 2.964 -3.285 1.917 115 HD2 LYS 20 1HD LYS 20 5.546 -3.568 2.382 116 HD3 LYS 20 2HD LYS 20 5.463 -1.820 2.614 117 HE2 LYS 20 1HE LYS 20 5.133 -2.778 4.747 118 HE3 LYS 20 2HE LYS 20 3.542 -2.253 4.199 119 HZ1 LYS 20 3HZ LYS 20 3.859 -4.857 3.316 120 HZ2 LYS 20 1HZ LYS 20 2.839 -4.308 4.550 121 HZ3 LYS 20 2HZ LYS 20 4.400 -4.846 4.919 122 H GLY 21 H GLY 21 2.166 -5.356 1.509 123 HA2 GLY 21 1HA GLY 21 0.285 -5.924 -0.644 124 HA3 GLY 21 2HA GLY 21 0.067 -6.304 1.058 125 H PHE 22 H PHE 22 -1.701 -4.954 -0.923 126 HA PHE 22 HA PHE 22 -2.488 -2.760 0.803 127 HB2 PHE 22 1HB PHE 22 -2.013 -2.272 -2.143 128 HB3 PHE 22 2HB PHE 22 -2.566 -1.096 -0.955 129 HD1 PHE 22 HD1 PHE 22 -0.965 -0.633 1.028 130 HD2 PHE 22 HD2 PHE 22 0.235 -2.433 -2.638 131 HE1 PHE 22 HE1 PHE 22 1.367 0.008 1.480 132 HE2 PHE 22 HE2 PHE 22 2.568 -1.796 -2.191 133 HZ PHE 22 HZ PHE 22 3.137 -0.575 -0.129 134 H TYR 23 H TYR 23 -4.527 -1.660 -0.346 135 HA TYR 23 HA TYR 23 -6.205 -3.827 -1.424 136 HB2 TYR 23 1HB TYR 23 -6.994 -1.774 0.653 137 HB3 TYR 23 2HB TYR 23 -8.097 -2.919 -0.103 138 HD1 TYR 23 HD1 TYR 23 -6.564 -5.403 -0.092 139 HD2 TYR 23 HD2 TYR 23 -6.853 -2.381 2.889 140 HE1 TYR 23 HE1 TYR 23 -6.026 -7.067 1.638 141 HE2 TYR 23 HE2 TYR 23 -6.315 -4.036 4.627 142 HH TYR 23 HH TYR 23 -5.136 -6.241 4.768 143 H THR 24 H THR 24 -5.449 -0.418 -1.310 144 HA THR 24 HA THR 24 -7.141 -0.012 -3.690 145 HB THR 24 HB THR 24 -7.441 2.328 -3.022 146 HG1 THR 24 HG1 THR 24 -5.681 1.545 -0.993 147 HG21 THR 24 3HG2 THR 24 -9.228 1.860 -1.722 148 HG22 THR 24 1HG2 THR 24 -8.264 0.983 -0.534 149 HG23 THR 24 2HG2 THR 24 -8.769 0.185 -2.024 150 H ASN 25 H ASN 25 -6.198 0.862 -5.449 151 HA ASN 25 HA ASN 25 -3.550 0.783 -5.973 152 HB2 ASN 25 1HB ASN 25 -3.943 2.474 -7.758 153 HB3 ASN 25 2HB ASN 25 -5.163 1.205 -7.727 154 HD21 ASN 25 1HD2 ASN 25 -4.576 4.522 -7.646 155 HD22 ASN 25 2HD2 ASN 25 -6.185 5.051 -7.305 156 H SER 26 H SER 26 -5.273 3.668 -4.801 157 HA SER 26 HA SER 26 -3.230 5.486 -4.721 158 HB2 SER 26 1HB SER 26 -5.574 5.989 -4.104 159 HB3 SER 26 2HB SER 26 -5.345 5.127 -2.583 160 HG SER 26 HG SER 26 -5.007 7.581 -2.777 161 H GLN 27 H GLN 27 -4.058 3.150 -2.167 162 HA GLN 27 HA GLN 27 -2.033 3.846 -0.373 163 HB2 GLN 27 1HB GLN 27 -3.667 1.385 -0.830 164 HB3 GLN 27 2HB GLN 27 -2.307 1.308 0.282 165 HG2 GLN 27 1HG GLN 27 -3.266 2.818 1.760 166 HG3 GLN 27 2HG GLN 27 -4.374 3.451 0.545 167 HE21 GLN 27 1HE2 GLN 27 -5.686 2.987 2.638 168 HE22 GLN 27 2HE2 GLN 27 -6.509 1.468 2.655 169 H CYS 28 H CYS 28 -2.059 1.393 -2.942 170 HA CYS 28 HA CYS 28 0.476 0.327 -2.500 171 HB2 CYS 28 1HB CYS 28 -1.020 -0.787 -3.999 172 HB3 CYS 28 2HB CYS 28 -1.126 0.627 -5.041 173 HG CYS 28 HG CYS 28 1.272 -1.739 -4.879 174 H TYR 29 H TYR 29 -0.515 3.118 -4.435 175 HA TYR 29 HA TYR 29 2.066 3.658 -5.489 176 HB2 TYR 29 1HB TYR 29 -0.080 4.480 -6.475 177 HB3 TYR 29 2HB TYR 29 -0.227 5.596 -5.122 178 HD1 TYR 29 HD2 TYR 29 2.036 7.032 -4.739 179 HD2 TYR 29 HD1 TYR 29 0.755 5.353 -8.432 180 HE1 TYR 29 HE2 TYR 29 3.387 8.690 -5.955 181 HE2 TYR 29 HE1 TYR 29 2.103 7.005 -9.658 182 HH TYR 29 HH TYR 29 4.248 9.238 -7.975 183 H SER 30 H SER 30 0.209 5.111 -2.824 184 HA SER 30 HA SER 30 1.857 7.087 -1.975 185 HB2 SER 30 1HB SER 30 -0.333 6.269 -0.924 186 HB3 SER 30 2HB SER 30 0.663 5.147 0.003 187 HG SER 30 HG SER 30 0.358 7.874 0.263 188 H HIS 31 H HIS 31 2.328 3.633 -1.498 189 HA HIS 31 HA HIS 31 4.694 4.022 0.118 190 HB2 HIS 31 1HB HIS 31 3.611 2.089 0.779 191 HB3 HIS 31 2HB HIS 31 3.146 1.661 -0.865 192 HD1 HIS 31 HD1 HIS 31 5.741 1.094 1.681 193 HD2 HIS 31 HD2 HIS 31 5.253 0.438 -2.392 194 HE1 HIS 31 HE1 HIS 31 7.548 -0.534 1.041 195 H GLN 32 H GLN 32 3.939 2.859 -3.148 196 HA GLN 32 HA GLN 32 6.394 2.082 -4.047 197 HB2 GLN 32 1HB GLN 32 4.047 3.361 -5.350 198 HB3 GLN 32 2HB GLN 32 5.543 3.296 -6.271 199 HG2 GLN 32 1HG GLN 32 4.598 0.807 -4.959 200 HG3 GLN 32 2HG GLN 32 3.746 1.375 -6.394 201 HE21 GLN 32 1HE2 GLN 32 4.409 0.328 -8.116 202 HE22 GLN 32 2HE2 GLN 32 6.038 -0.112 -8.482 203 H ARG 33 H ARG 33 5.131 5.413 -4.132 204 HA ARG 33 HA ARG 33 7.349 6.656 -5.237 205 HB2 ARG 33 1HB ARG 33 6.438 8.692 -4.506 206 HB3 ARG 33 2HB ARG 33 5.044 7.637 -4.696 207 HG2 ARG 33 1HG ARG 33 4.757 7.400 -2.395 208 HG3 ARG 33 2HG ARG 33 6.392 7.962 -2.042 209 HD2 ARG 33 1HD ARG 33 5.063 9.784 -1.474 210 HD3 ARG 33 2HD ARG 33 5.626 10.181 -3.097 211 HE ARG 33 HE ARG 33 3.469 9.944 -3.884 212 HH11 ARG 33 1HH1 ARG 33 3.676 8.843 -0.587 213 HH12 ARG 33 2HH1 ARG 33 1.959 8.743 -0.376 214 HH21 ARG 33 1HH2 ARG 33 1.208 9.816 -3.618 215 HH22 ARG 33 2HH2 ARG 33 0.556 9.296 -2.101 216 H SER 34 H SER 34 6.789 5.562 -1.966 217 HA SER 34 HA SER 34 8.746 6.988 -0.599 218 HB2 SER 34 1HB SER 34 6.982 5.406 0.357 219 HB3 SER 34 2HB SER 34 8.096 4.095 -0.033 220 HG SER 34 HG SER 34 8.261 4.971 2.147 221 H HIS 35 H HIS 35 9.015 3.864 -2.272 222 HA HIS 35 HA HIS 35 11.555 3.106 -1.716 223 HB2 HIS 35 1HB HIS 35 9.890 2.917 -4.181 224 HB3 HIS 35 2HB HIS 35 11.590 2.474 -4.302 225 HD1 HIS 35 HD1 HIS 35 12.301 0.680 -2.256 226 HD2 HIS 35 HD2 HIS 35 8.342 0.816 -3.509 227 HE1 HIS 35 HE1 HIS 35 11.288 -1.500 -1.518 228 H SER 36 H SER 36 13.154 4.565 -1.425 229 HA SER 36 HA SER 36 14.283 5.799 -3.781 230 HB2 SER 36 1HB SER 36 13.341 7.496 -1.458 231 HB3 SER 36 2HB SER 36 14.361 8.070 -2.776 232 HG SER 36 HG SER 36 11.665 7.248 -2.848 233 H GLY 37 H GLY 37 16.319 7.114 -3.081 234 HA2 GLY 37 1HA GLY 37 17.849 7.186 -1.014 235 HA3 GLY 37 2HA GLY 37 17.737 5.435 -1.120 236 H GLU 38 H GLU 38 17.969 4.930 -3.768 237 HA GLU 38 HA GLU 38 20.739 5.716 -4.264 238 HB2 GLU 38 1HB GLU 38 20.873 3.838 -5.737 239 HB3 GLU 38 2HB GLU 38 20.061 3.303 -4.273 240 HG2 GLU 38 1HG GLU 38 17.965 3.239 -5.330 241 HG3 GLU 38 2HG GLU 38 18.546 4.164 -6.713 242 H LYS 39 H LYS 39 21.440 6.657 -6.167 243 HA LYS 39 HA LYS 39 19.645 8.444 -7.430 244 HB2 LYS 39 1HB LYS 39 22.470 7.618 -8.105 245 HB3 LYS 39 2HB LYS 39 21.597 8.876 -8.972 246 HG2 LYS 39 1HG LYS 39 21.651 10.333 -7.187 247 HG3 LYS 39 2HG LYS 39 21.868 9.040 -6.004 248 HD2 LYS 39 1HD LYS 39 23.947 10.167 -6.152 249 HD3 LYS 39 2HD LYS 39 24.143 8.650 -7.034 250 HE2 LYS 39 1HE LYS 39 23.981 9.741 -9.128 251 HE3 LYS 39 2HE LYS 39 23.402 11.233 -8.387 252 HZ1 LYS 39 3HZ LYS 39 25.661 11.211 -7.201 253 HZ2 LYS 39 1HZ LYS 39 25.615 11.671 -8.829 254 HZ3 LYS 39 2HZ LYS 39 26.132 10.118 -8.404 255 HA PRO 40 HA PRO 40 17.977 5.922 -10.634 256 HB2 PRO 40 1HB PRO 40 17.249 7.878 -12.370 257 HB3 PRO 40 2HB PRO 40 16.373 7.550 -10.870 258 HG2 PRO 40 1HG PRO 40 18.414 9.662 -11.447 259 HG3 PRO 40 2HG PRO 40 16.887 9.796 -10.556 260 HD2 PRO 40 1HD PRO 40 19.285 9.576 -9.316 261 HD3 PRO 40 2HD PRO 40 17.790 8.909 -8.629 262 H SER 41 H SER 41 20.818 7.685 -10.901 263 HA SER 41 HA SER 41 21.264 7.164 -13.720 264 HB2 SER 41 1HB SER 41 22.898 8.484 -11.559 265 HB3 SER 41 2HB SER 41 23.577 8.125 -13.146 266 HG SER 41 HG SER 41 21.396 9.819 -12.522 267 H GLY 42 H GLY 42 23.048 6.350 -10.733 268 HA2 GLY 42 1HA GLY 42 23.472 3.958 -10.297 269 HA3 GLY 42 2HA GLY 42 23.780 3.791 -12.019 270 HA PRO 43 HA PRO 43 27.657 4.946 -9.436 271 HB2 PRO 43 1HB PRO 43 28.677 2.473 -8.975 272 HB3 PRO 43 2HB PRO 43 27.589 3.289 -7.846 273 HG2 PRO 43 1HG PRO 43 26.973 1.181 -9.880 274 HG3 PRO 43 2HG PRO 43 26.397 1.326 -8.209 275 HD2 PRO 43 1HD PRO 43 24.892 2.058 -10.338 276 HD3 PRO 43 2HD PRO 43 24.786 2.877 -8.766 277 H SER 44 H SER 44 29.007 5.648 -10.965 278 HA SER 44 HA SER 44 29.661 3.884 -13.219 279 HB2 SER 44 1HB SER 44 30.191 6.851 -12.938 280 HB3 SER 44 2HB SER 44 30.373 5.880 -14.399 281 HG SER 44 HG SER 44 28.297 7.192 -13.858 282 H SER 45 H SER 45 30.853 3.244 -10.801 283 HA SER 45 HA SER 45 33.636 4.137 -11.183 284 HB2 SER 45 1HB SER 45 32.219 3.180 -8.687 285 HB3 SER 45 2HB SER 45 33.963 3.422 -8.788 286 HG SER 45 HG SER 45 31.893 5.309 -8.823 287 H GLY 46 H GLY 46 32.621 2.130 -12.812 288 HA2 GLY 46 1HA GLY 46 33.424 -0.425 -11.668 289 HA3 GLY 46 2HA GLY 46 32.732 -0.167 -13.263 Start of MODEL 12 1 H1 GLY 1 H GLY 1 19.161 -14.545 -1.276 2 HA2 GLY 1 1HA GLY 1 18.295 -14.541 -3.702 3 HA3 GLY 1 2HA GLY 1 19.682 -15.566 -3.366 4 H SER 2 H SER 2 16.241 -15.480 -3.948 5 HA SER 2 HA SER 2 16.269 -18.085 -5.097 6 HB2 SER 2 1HB SER 2 14.767 -19.208 -3.538 7 HB3 SER 2 2HB SER 2 16.230 -18.702 -2.694 8 HG SER 2 HG SER 2 13.937 -17.063 -2.736 9 H SER 3 H SER 3 14.249 -18.647 -6.086 10 HA SER 3 HA SER 3 12.446 -16.334 -6.385 11 HB2 SER 3 1HB SER 3 13.851 -17.042 -8.399 12 HB3 SER 3 2HB SER 3 12.854 -18.496 -8.452 13 HG SER 3 HG SER 3 11.035 -17.168 -8.726 14 H GLY 4 H GLY 4 10.926 -16.887 -4.856 15 HA2 GLY 4 1HA GLY 4 9.545 -19.466 -5.275 16 HA3 GLY 4 2HA GLY 4 9.636 -18.638 -3.727 17 H SER 5 H SER 5 7.835 -19.093 -6.556 18 HA SER 5 HA SER 5 6.305 -16.642 -6.309 19 HB2 SER 5 1HB SER 5 6.040 -19.033 -8.141 20 HB3 SER 5 2HB SER 5 4.956 -17.643 -8.186 21 HG SER 5 HG SER 5 6.930 -17.721 -9.627 22 H SER 6 H SER 6 5.757 -20.126 -5.893 23 HA SER 6 HA SER 6 3.071 -19.924 -5.065 24 HB2 SER 6 1HB SER 6 3.270 -22.217 -4.373 25 HB3 SER 6 2HB SER 6 4.229 -22.023 -5.841 26 HG SER 6 HG SER 6 5.852 -21.492 -3.866 27 H GLY 7 H GLY 7 2.135 -19.990 -3.006 28 HA2 GLY 7 1HA GLY 7 2.896 -20.283 -0.539 29 HA3 GLY 7 2HA GLY 7 3.846 -18.852 -0.908 30 H SER 8 H SER 8 2.449 -18.214 1.044 31 HA SER 8 HA SER 8 -0.182 -17.247 0.161 32 HB2 SER 8 1HB SER 8 -0.152 -18.633 2.209 33 HB3 SER 8 2HB SER 8 0.931 -17.468 2.970 34 HG SER 8 HG SER 8 -1.058 -16.863 3.621 35 H GLY 9 H GLY 9 -0.824 -15.081 0.656 36 HA2 GLY 9 1HA GLY 9 -0.145 -12.907 1.620 37 HA3 GLY 9 2HA GLY 9 1.463 -13.240 0.995 38 H GLU 10 H GLU 10 -1.696 -13.641 -0.570 39 HA GLU 10 HA GLU 10 -0.722 -11.967 -2.771 40 HB2 GLU 10 1HB GLU 10 -1.462 -14.162 -3.449 41 HB3 GLU 10 2HB GLU 10 -2.996 -13.949 -2.616 42 HG2 GLU 10 1HG GLU 10 -3.298 -11.931 -4.208 43 HG3 GLU 10 2HG GLU 10 -2.044 -12.719 -5.164 44 H LYS 11 H LYS 11 -1.841 -10.196 -3.518 45 HA LYS 11 HA LYS 11 -4.316 -9.422 -2.181 46 HB2 LYS 11 1HB LYS 11 -1.698 -8.033 -1.904 47 HB3 LYS 11 2HB LYS 11 -3.133 -7.030 -2.074 48 HG2 LYS 11 1HG LYS 11 -4.070 -7.828 -0.089 49 HG3 LYS 11 2HG LYS 11 -2.992 -9.225 -0.038 50 HD2 LYS 11 1HD LYS 11 -1.086 -7.696 0.334 51 HD3 LYS 11 2HD LYS 11 -2.212 -6.336 0.365 52 HE2 LYS 11 1HE LYS 11 -3.405 -7.686 2.225 53 HE3 LYS 11 2HE LYS 11 -1.884 -8.570 2.334 54 HZ1 LYS 11 3HZ LYS 11 -2.392 -6.357 3.709 55 HZ2 LYS 11 1HZ LYS 11 -1.674 -5.673 2.338 56 HZ3 LYS 11 2HZ LYS 11 -0.831 -6.821 3.249 57 HA PRO 12 HA PRO 12 -5.450 -7.783 -6.090 58 HB2 PRO 12 1HB PRO 12 -6.891 -5.585 -5.407 59 HB3 PRO 12 2HB PRO 12 -7.481 -7.234 -5.165 60 HG2 PRO 12 1HG PRO 12 -6.226 -5.363 -3.194 61 HG3 PRO 12 2HG PRO 12 -7.630 -6.426 -2.990 62 HD2 PRO 12 1HD PRO 12 -5.168 -7.069 -2.063 63 HD3 PRO 12 2HD PRO 12 -6.323 -8.291 -2.632 64 H PHE 13 H PHE 13 -3.597 -5.844 -3.916 65 HA PHE 13 HA PHE 13 -2.345 -4.487 -6.146 66 HB2 PHE 13 1HB PHE 13 -3.691 -2.920 -3.935 67 HB3 PHE 13 2HB PHE 13 -2.646 -2.235 -5.175 68 HD1 PHE 13 HD2 PHE 13 -5.833 -4.059 -4.669 69 HD2 PHE 13 HD1 PHE 13 -3.512 -1.586 -7.240 70 HE1 PHE 13 HE2 PHE 13 -7.782 -3.768 -6.142 71 HE2 PHE 13 HE1 PHE 13 -5.458 -1.289 -8.717 72 HZ PHE 13 HZ PHE 13 -7.596 -2.382 -8.169 73 H LYS 14 H LYS 14 -0.277 -4.920 -5.779 74 HA LYS 14 HA LYS 14 0.793 -4.448 -3.079 75 HB2 LYS 14 1HB LYS 14 2.445 -6.353 -3.706 76 HB3 LYS 14 2HB LYS 14 0.838 -6.770 -3.124 77 HG2 LYS 14 1HG LYS 14 0.115 -7.025 -5.489 78 HG3 LYS 14 2HG LYS 14 1.791 -6.767 -5.979 79 HD2 LYS 14 1HD LYS 14 2.333 -8.701 -4.364 80 HD3 LYS 14 2HD LYS 14 0.605 -9.054 -4.441 81 HE2 LYS 14 1HE LYS 14 2.268 -8.736 -6.921 82 HE3 LYS 14 2HE LYS 14 2.154 -10.278 -6.074 83 HZ1 LYS 14 3HZ LYS 14 -0.303 -8.844 -6.819 84 HZ2 LYS 14 1HZ LYS 14 -0.059 -10.502 -6.592 85 HZ3 LYS 14 2HZ LYS 14 0.522 -9.745 -7.989 86 H CYS 15 H CYS 15 3.155 -4.070 -3.064 87 HA CYS 15 HA CYS 15 3.857 -2.149 -5.057 88 HB2 CYS 15 1HB CYS 15 4.525 -1.978 -2.660 89 HB3 CYS 15 2HB CYS 15 5.606 -3.347 -2.899 90 H GLU 16 H GLU 16 5.574 -2.218 -6.539 91 HA GLU 16 HA GLU 16 6.125 -4.890 -7.556 92 HB2 GLU 16 1HB GLU 16 6.603 -3.906 -9.599 93 HB3 GLU 16 2HB GLU 16 5.387 -2.818 -8.946 94 HG2 GLU 16 1HG GLU 16 8.296 -2.276 -8.525 95 HG3 GLU 16 2HG GLU 16 7.504 -1.836 -10.037 96 H GLU 17 H GLU 17 7.690 -2.351 -5.834 97 HA GLU 17 HA GLU 17 10.377 -3.067 -6.487 98 HB2 GLU 17 1HB GLU 17 9.137 -1.362 -4.340 99 HB3 GLU 17 2HB GLU 17 10.864 -1.690 -4.367 100 HG2 GLU 17 1HG GLU 17 9.433 -0.544 -6.738 101 HG3 GLU 17 2HG GLU 17 10.056 0.470 -5.437 102 H CYS 18 H CYS 18 8.613 -3.341 -3.395 103 HA CYS 18 HA CYS 18 10.361 -5.583 -2.674 104 HB2 CYS 18 1HB CYS 18 9.362 -5.222 -0.371 105 HB3 CYS 18 2HB CYS 18 10.357 -3.907 -0.988 106 H GLY 19 H GLY 19 6.915 -4.671 -2.547 107 HA2 GLY 19 1HA GLY 19 5.445 -6.415 -3.639 108 HA3 GLY 19 2HA GLY 19 6.264 -7.552 -2.578 109 H LYS 20 H LYS 20 5.660 -4.445 -1.271 110 HA LYS 20 HA LYS 20 4.327 -5.219 0.964 111 HB2 LYS 20 1HB LYS 20 5.099 -2.840 0.049 112 HB3 LYS 20 2HB LYS 20 3.382 -2.694 -0.304 113 HG2 LYS 20 1HG LYS 20 3.375 -1.832 1.786 114 HG3 LYS 20 2HG LYS 20 3.194 -3.536 2.210 115 HD2 LYS 20 1HD LYS 20 5.688 -3.654 2.424 116 HD3 LYS 20 2HD LYS 20 5.727 -1.901 2.219 117 HE2 LYS 20 1HE LYS 20 5.765 -2.235 4.540 118 HE3 LYS 20 2HE LYS 20 4.095 -1.804 4.175 119 HZ1 LYS 20 3HZ LYS 20 3.964 -3.625 5.611 120 HZ2 LYS 20 1HZ LYS 20 5.196 -4.473 4.819 121 HZ3 LYS 20 2HZ LYS 20 3.687 -4.288 4.079 122 H GLY 21 H GLY 21 2.041 -4.910 1.616 123 HA2 GLY 21 1HA GLY 21 0.253 -5.863 -0.531 124 HA3 GLY 21 2HA GLY 21 0.076 -6.273 1.168 125 H PHE 22 H PHE 22 -1.649 -4.871 -0.941 126 HA PHE 22 HA PHE 22 -2.672 -2.856 0.885 127 HB2 PHE 22 1HB PHE 22 -2.079 -2.108 -1.981 128 HB3 PHE 22 2HB PHE 22 -2.667 -1.055 -0.699 129 HD1 PHE 22 HD1 PHE 22 -1.086 -0.912 1.408 130 HD2 PHE 22 HD2 PHE 22 0.156 -2.062 -2.498 131 HE1 PHE 22 HE1 PHE 22 1.230 -0.300 1.968 132 HE2 PHE 22 HE2 PHE 22 2.474 -1.452 -1.944 133 HZ PHE 22 HZ PHE 22 3.014 -0.570 0.291 134 H TYR 23 H TYR 23 -4.746 -1.870 -0.079 135 HA TYR 23 HA TYR 23 -6.220 -3.997 -1.491 136 HB2 TYR 23 1HB TYR 23 -7.318 -2.053 0.550 137 HB3 TYR 23 2HB TYR 23 -8.207 -3.352 -0.238 138 HD1 TYR 23 HD1 TYR 23 -6.527 -5.658 -0.048 139 HD2 TYR 23 HD2 TYR 23 -7.074 -2.537 2.792 140 HE1 TYR 23 HE1 TYR 23 -5.885 -7.198 1.760 141 HE2 TYR 23 HE2 TYR 23 -6.433 -4.068 4.607 142 HH TYR 23 HH TYR 23 -5.993 -6.194 5.153 143 H THR 24 H THR 24 -5.675 -0.556 -1.132 144 HA THR 24 HA THR 24 -7.310 -0.078 -3.538 145 HB THR 24 HB THR 24 -7.520 2.255 -2.815 146 HG1 THR 24 HG1 THR 24 -6.103 1.382 -0.497 147 HG21 THR 24 3HG2 THR 24 -9.358 1.075 -2.073 148 HG22 THR 24 1HG2 THR 24 -8.735 1.718 -0.554 149 HG23 THR 24 2HG2 THR 24 -8.402 0.046 -1.007 150 H ASN 25 H ASN 25 -6.424 0.950 -5.270 151 HA ASN 25 HA ASN 25 -3.742 0.768 -5.822 152 HB2 ASN 25 1HB ASN 25 -5.609 1.224 -7.460 153 HB3 ASN 25 2HB ASN 25 -5.540 2.912 -6.962 154 HD21 ASN 25 1HD2 ASN 25 -4.654 0.940 -9.326 155 HD22 ASN 25 2HD2 ASN 25 -3.195 1.698 -9.855 156 H SER 26 H SER 26 -5.464 3.742 -4.866 157 HA SER 26 HA SER 26 -3.467 5.559 -4.791 158 HB2 SER 26 1HB SER 26 -5.917 5.808 -4.035 159 HB3 SER 26 2HB SER 26 -5.340 5.323 -2.441 160 HG SER 26 HG SER 26 -5.368 7.713 -3.275 161 H GLN 27 H GLN 27 -4.179 3.258 -2.170 162 HA GLN 27 HA GLN 27 -2.126 4.030 -0.442 163 HB2 GLN 27 1HB GLN 27 -3.782 1.586 -0.797 164 HB3 GLN 27 2HB GLN 27 -2.330 1.440 0.184 165 HG2 GLN 27 1HG GLN 27 -4.209 3.683 0.722 166 HG3 GLN 27 2HG GLN 27 -4.635 2.058 1.257 167 HE21 GLN 27 1HE2 GLN 27 -4.455 2.456 3.419 168 HE22 GLN 27 2HE2 GLN 27 -2.954 2.796 4.203 169 H CYS 28 H CYS 28 -2.160 1.437 -2.882 170 HA CYS 28 HA CYS 28 0.386 0.444 -2.521 171 HB2 CYS 28 1HB CYS 28 -1.036 -0.713 -4.015 172 HB3 CYS 28 2HB CYS 28 -1.305 0.722 -4.997 173 HG CYS 28 HG CYS 28 0.302 -1.348 -6.256 174 H TYR 29 H TYR 29 -0.615 3.144 -4.604 175 HA TYR 29 HA TYR 29 1.952 3.728 -5.606 176 HB2 TYR 29 1HB TYR 29 -0.306 4.529 -6.493 177 HB3 TYR 29 2HB TYR 29 -0.248 5.757 -5.233 178 HD1 TYR 29 HD1 TYR 29 1.692 4.438 -8.127 179 HD2 TYR 29 HD2 TYR 29 0.849 7.776 -5.627 180 HE1 TYR 29 HE1 TYR 29 3.038 5.875 -9.602 181 HE2 TYR 29 HE2 TYR 29 2.191 9.222 -7.095 182 HH TYR 29 HH TYR 29 4.115 7.912 -9.704 183 H SER 30 H SER 30 0.152 4.978 -2.826 184 HA SER 30 HA SER 30 1.745 7.052 -2.017 185 HB2 SER 30 1HB SER 30 -0.289 6.552 -0.829 186 HB3 SER 30 2HB SER 30 0.334 4.982 -0.321 187 HG SER 30 HG SER 30 1.260 7.542 0.476 188 H HIS 31 H HIS 31 2.180 3.620 -1.182 189 HA HIS 31 HA HIS 31 4.647 4.095 0.196 190 HB2 HIS 31 1HB HIS 31 3.633 2.204 1.028 191 HB3 HIS 31 2HB HIS 31 3.037 1.698 -0.550 192 HD1 HIS 31 HD1 HIS 31 5.787 1.188 1.827 193 HD2 HIS 31 HD2 HIS 31 5.032 0.398 -2.181 194 HE1 HIS 31 HE1 HIS 31 7.526 -0.491 1.134 195 H GLN 32 H GLN 32 3.781 2.639 -2.931 196 HA GLN 32 HA GLN 32 6.159 1.812 -3.904 197 HB2 GLN 32 1HB GLN 32 3.812 3.122 -5.175 198 HB3 GLN 32 2HB GLN 32 5.271 2.968 -6.145 199 HG2 GLN 32 1HG GLN 32 5.258 0.593 -5.915 200 HG3 GLN 32 2HG GLN 32 3.946 0.664 -4.740 201 HE21 GLN 32 1HE2 GLN 32 4.068 -0.774 -7.253 202 HE22 GLN 32 2HE2 GLN 32 2.753 -0.195 -8.212 203 H ARG 33 H ARG 33 5.062 5.179 -3.785 204 HA ARG 33 HA ARG 33 7.134 6.394 -5.161 205 HB2 ARG 33 1HB ARG 33 5.438 7.326 -2.855 206 HB3 ARG 33 2HB ARG 33 6.659 8.365 -3.577 207 HG2 ARG 33 1HG ARG 33 5.492 7.924 -5.795 208 HG3 ARG 33 2HG ARG 33 4.170 7.263 -4.832 209 HD2 ARG 33 1HD ARG 33 5.242 9.937 -4.099 210 HD3 ARG 33 2HD ARG 33 4.245 9.811 -5.548 211 HE ARG 33 HE ARG 33 2.845 8.499 -3.585 212 HH11 ARG 33 1HH1 ARG 33 4.116 11.708 -4.042 213 HH12 ARG 33 2HH1 ARG 33 2.884 12.472 -3.093 214 HH21 ARG 33 1HH2 ARG 33 1.217 9.493 -2.334 215 HH22 ARG 33 2HH2 ARG 33 1.236 11.211 -2.122 216 H SER 34 H SER 34 6.948 5.586 -1.707 217 HA SER 34 HA SER 34 9.146 6.678 -0.634 218 HB2 SER 34 1HB SER 34 7.760 5.174 0.657 219 HB3 SER 34 2HB SER 34 8.269 3.798 -0.322 220 HG SER 34 HG SER 34 10.410 4.175 0.470 221 H HIS 35 H HIS 35 9.222 3.656 -2.517 222 HA HIS 35 HA HIS 35 11.955 3.194 -2.437 223 HB2 HIS 35 1HB HIS 35 9.894 2.558 -4.544 224 HB3 HIS 35 2HB HIS 35 11.568 2.026 -4.675 225 HD1 HIS 35 HD1 HIS 35 12.395 0.516 -2.540 226 HD2 HIS 35 HD2 HIS 35 8.303 0.846 -3.173 227 HE1 HIS 35 HE1 HIS 35 11.362 -1.387 -1.262 228 H SER 36 H SER 36 13.019 5.208 -2.583 229 HA SER 36 HA SER 36 13.095 6.347 -5.301 230 HB2 SER 36 1HB SER 36 13.698 7.759 -2.692 231 HB3 SER 36 2HB SER 36 13.715 8.487 -4.298 232 HG SER 36 HG SER 36 11.441 7.826 -4.404 233 H GLY 37 H GLY 37 15.105 6.022 -2.367 234 HA2 GLY 37 1HA GLY 37 17.495 5.994 -4.064 235 HA3 GLY 37 2HA GLY 37 17.470 6.205 -2.319 236 H GLU 38 H GLU 38 18.786 4.266 -4.338 237 HA GLU 38 HA GLU 38 17.790 1.683 -3.678 238 HB2 GLU 38 1HB GLU 38 19.244 2.402 -5.692 239 HB3 GLU 38 2HB GLU 38 20.602 2.225 -4.589 240 HG2 GLU 38 1HG GLU 38 20.594 0.156 -5.518 241 HG3 GLU 38 2HG GLU 38 19.508 -0.130 -4.159 242 H LYS 39 H LYS 39 18.609 0.144 -2.263 243 HA LYS 39 HA LYS 39 20.490 1.149 -0.229 244 HB2 LYS 39 1HB LYS 39 19.232 -0.121 1.464 245 HB3 LYS 39 2HB LYS 39 18.240 1.115 0.703 246 HG2 LYS 39 1HG LYS 39 17.301 -0.655 -0.781 247 HG3 LYS 39 2HG LYS 39 18.181 -1.847 0.178 248 HD2 LYS 39 1HD LYS 39 16.159 -1.892 1.249 249 HD3 LYS 39 2HD LYS 39 16.964 -0.626 2.177 250 HE2 LYS 39 1HE LYS 39 14.755 0.125 1.634 251 HE3 LYS 39 2HE LYS 39 15.907 1.056 0.678 252 HZ1 LYS 39 3HZ LYS 39 14.470 -1.327 -0.349 253 HZ2 LYS 39 1HZ LYS 39 15.403 -0.230 -1.237 254 HZ3 LYS 39 2HZ LYS 39 13.929 0.260 -0.570 255 HA PRO 40 HA PRO 40 22.879 -2.441 -1.126 256 HB2 PRO 40 1HB PRO 40 24.322 -2.567 1.169 257 HB3 PRO 40 2HB PRO 40 24.617 -1.358 -0.085 258 HG2 PRO 40 1HG PRO 40 23.091 -1.096 2.477 259 HG3 PRO 40 2HG PRO 40 24.241 0.034 1.740 260 HD2 PRO 40 1HD PRO 40 21.559 0.360 1.559 261 HD3 PRO 40 2HD PRO 40 22.672 0.871 0.274 262 H SER 41 H SER 41 22.710 -4.605 -0.856 263 HA SER 41 HA SER 41 20.908 -5.547 1.259 264 HB2 SER 41 1HB SER 41 21.773 -6.845 -1.335 265 HB3 SER 41 2HB SER 41 20.712 -7.602 -0.147 266 HG SER 41 HG SER 41 19.177 -6.056 -0.543 267 H GLY 42 H GLY 42 21.475 -7.157 2.680 268 HA2 GLY 42 1HA GLY 42 24.142 -7.360 3.478 269 HA3 GLY 42 2HA GLY 42 22.859 -8.455 3.970 270 HA PRO 43 HA PRO 43 25.916 -10.982 1.638 271 HB2 PRO 43 1HB PRO 43 25.692 -13.143 3.266 272 HB3 PRO 43 2HB PRO 43 26.777 -11.791 3.609 273 HG2 PRO 43 1HG PRO 43 24.056 -12.363 4.716 274 HG3 PRO 43 2HG PRO 43 25.510 -11.798 5.558 275 HD2 PRO 43 1HD PRO 43 23.502 -10.130 4.839 276 HD3 PRO 43 2HD PRO 43 25.200 -9.613 4.892 277 H SER 44 H SER 44 22.618 -11.370 2.593 278 HA SER 44 HA SER 44 21.956 -12.732 0.179 279 HB2 SER 44 1HB SER 44 22.884 -14.585 1.660 280 HB3 SER 44 2HB SER 44 21.482 -14.329 2.698 281 HG SER 44 HG SER 44 20.181 -14.737 0.808 282 H SER 45 H SER 45 19.879 -12.355 -0.349 283 HA SER 45 HA SER 45 18.119 -11.285 1.761 284 HB2 SER 45 1HB SER 45 17.131 -9.798 0.113 285 HB3 SER 45 2HB SER 45 18.878 -9.563 0.130 286 HG SER 45 HG SER 45 17.867 -11.447 -1.652 287 H GLY 46 H GLY 46 16.573 -12.705 2.213 288 HA2 GLY 46 1HA GLY 46 14.431 -13.570 1.284 289 HA3 GLY 46 2HA GLY 46 15.396 -14.233 -0.027 Start of MODEL 13 1 H1 GLY 1 H GLY 1 7.212 -14.663 -15.727 2 HA2 GLY 1 1HA GLY 1 7.200 -17.595 -16.087 3 HA3 GLY 1 2HA GLY 1 8.653 -16.732 -15.606 4 H SER 2 H SER 2 5.238 -16.711 -14.573 5 HA SER 2 HA SER 2 5.385 -15.946 -12.026 6 HB2 SER 2 1HB SER 2 3.307 -16.752 -13.087 7 HB3 SER 2 2HB SER 2 3.870 -18.414 -12.913 8 HG SER 2 HG SER 2 4.076 -17.576 -10.542 9 H SER 3 H SER 3 6.001 -16.697 -10.034 10 HA SER 3 HA SER 3 7.975 -18.828 -10.053 11 HB2 SER 3 1HB SER 3 7.235 -16.629 -8.170 12 HB3 SER 3 2HB SER 3 8.073 -18.039 -7.524 13 HG SER 3 HG SER 3 9.014 -16.653 -9.800 14 H GLY 4 H GLY 4 4.986 -18.027 -8.293 15 HA2 GLY 4 1HA GLY 4 3.692 -19.347 -6.893 16 HA3 GLY 4 2HA GLY 4 3.720 -20.399 -8.301 17 H SER 5 H SER 5 5.958 -19.535 -5.658 18 HA SER 5 HA SER 5 6.287 -22.408 -5.128 19 HB2 SER 5 1HB SER 5 8.415 -20.356 -5.636 20 HB3 SER 5 2HB SER 5 8.750 -21.711 -4.558 21 HG SER 5 HG SER 5 7.576 -22.289 -7.017 22 H SER 6 H SER 6 6.848 -19.119 -3.910 23 HA SER 6 HA SER 6 6.847 -20.097 -1.165 24 HB2 SER 6 1HB SER 6 7.365 -17.726 -0.590 25 HB3 SER 6 2HB SER 6 8.523 -18.431 -1.718 26 HG SER 6 HG SER 6 6.999 -16.263 -2.035 27 H GLY 7 H GLY 7 4.737 -20.706 -0.772 28 HA2 GLY 7 1HA GLY 7 2.432 -19.307 -1.497 29 HA3 GLY 7 2HA GLY 7 2.549 -20.419 -0.141 30 H SER 8 H SER 8 2.256 -17.169 -1.109 31 HA SER 8 HA SER 8 2.341 -16.331 1.710 32 HB2 SER 8 1HB SER 8 3.693 -15.097 -0.651 33 HB3 SER 8 2HB SER 8 3.067 -14.031 0.606 34 HG SER 8 HG SER 8 5.270 -15.606 0.628 35 H GLY 9 H GLY 9 0.974 -14.523 2.237 36 HA2 GLY 9 1HA GLY 9 -1.589 -14.688 1.084 37 HA3 GLY 9 2HA GLY 9 -1.053 -13.447 2.207 38 H GLU 10 H GLU 10 -1.849 -14.182 -1.025 39 HA GLU 10 HA GLU 10 -0.536 -11.959 -2.256 40 HB2 GLU 10 1HB GLU 10 -1.485 -14.191 -3.292 41 HB3 GLU 10 2HB GLU 10 -2.955 -13.241 -3.455 42 HG2 GLU 10 1HG GLU 10 -1.903 -11.678 -4.878 43 HG3 GLU 10 2HG GLU 10 -0.302 -12.319 -4.514 44 H LYS 11 H LYS 11 -1.876 -10.314 -3.503 45 HA LYS 11 HA LYS 11 -4.344 -9.524 -2.182 46 HB2 LYS 11 1HB LYS 11 -1.757 -8.075 -1.918 47 HB3 LYS 11 2HB LYS 11 -3.212 -7.109 -2.125 48 HG2 LYS 11 1HG LYS 11 -4.176 -7.969 -0.143 49 HG3 LYS 11 2HG LYS 11 -2.945 -9.227 -0.010 50 HD2 LYS 11 1HD LYS 11 -1.239 -7.527 0.382 51 HD3 LYS 11 2HD LYS 11 -2.453 -6.257 0.215 52 HE2 LYS 11 1HE LYS 11 -3.665 -7.236 2.145 53 HE3 LYS 11 2HE LYS 11 -2.351 -8.396 2.340 54 HZ1 LYS 11 3HZ LYS 11 -1.595 -5.588 2.248 55 HZ2 LYS 11 1HZ LYS 11 -0.987 -6.843 3.206 56 HZ3 LYS 11 2HZ LYS 11 -2.440 -6.086 3.626 57 HA PRO 12 HA PRO 12 -5.467 -8.001 -6.140 58 HB2 PRO 12 1HB PRO 12 -6.925 -5.792 -5.534 59 HB3 PRO 12 2HB PRO 12 -7.506 -7.436 -5.245 60 HG2 PRO 12 1HG PRO 12 -6.274 -5.497 -3.325 61 HG3 PRO 12 2HG PRO 12 -7.673 -6.563 -3.096 62 HD2 PRO 12 1HD PRO 12 -5.212 -7.161 -2.136 63 HD3 PRO 12 2HD PRO 12 -6.357 -8.407 -2.673 64 H PHE 13 H PHE 13 -3.571 -6.051 -4.044 65 HA PHE 13 HA PHE 13 -2.320 -4.749 -6.291 66 HB2 PHE 13 1HB PHE 13 -3.737 -3.097 -4.190 67 HB3 PHE 13 2HB PHE 13 -2.653 -2.456 -5.420 68 HD1 PHE 13 HD2 PHE 13 -5.870 -4.210 -4.912 69 HD2 PHE 13 HD1 PHE 13 -3.427 -1.963 -7.576 70 HE1 PHE 13 HE2 PHE 13 -7.768 -3.991 -6.462 71 HE2 PHE 13 HE1 PHE 13 -5.321 -1.739 -9.130 72 HZ PHE 13 HZ PHE 13 -7.495 -2.754 -8.575 73 H LYS 14 H LYS 14 -0.265 -5.188 -5.850 74 HA LYS 14 HA LYS 14 0.740 -4.584 -3.149 75 HB2 LYS 14 1HB LYS 14 2.395 -6.482 -3.558 76 HB3 LYS 14 2HB LYS 14 0.736 -6.940 -3.198 77 HG2 LYS 14 1HG LYS 14 0.326 -7.263 -5.602 78 HG3 LYS 14 2HG LYS 14 2.017 -6.869 -5.923 79 HD2 LYS 14 1HD LYS 14 1.433 -9.009 -3.944 80 HD3 LYS 14 2HD LYS 14 1.189 -9.373 -5.654 81 HE2 LYS 14 1HE LYS 14 3.379 -9.960 -5.478 82 HE3 LYS 14 2HE LYS 14 3.587 -8.247 -5.837 83 HZ1 LYS 14 3HZ LYS 14 3.823 -9.618 -3.231 84 HZ2 LYS 14 1HZ LYS 14 3.574 -7.947 -3.325 85 HZ3 LYS 14 2HZ LYS 14 4.956 -8.636 -4.014 86 H CYS 15 H CYS 15 3.048 -4.086 -3.068 87 HA CYS 15 HA CYS 15 3.787 -2.233 -5.082 88 HB2 CYS 15 1HB CYS 15 4.447 -2.045 -2.688 89 HB3 CYS 15 2HB CYS 15 5.523 -3.421 -2.908 90 H GLU 16 H GLU 16 5.521 -2.297 -6.548 91 HA GLU 16 HA GLU 16 6.084 -4.972 -7.557 92 HB2 GLU 16 1HB GLU 16 6.445 -4.018 -9.606 93 HB3 GLU 16 2HB GLU 16 5.370 -2.813 -8.912 94 HG2 GLU 16 1HG GLU 16 7.234 -1.400 -8.352 95 HG3 GLU 16 2HG GLU 16 8.373 -2.633 -8.890 96 H GLU 17 H GLU 17 7.631 -2.404 -5.856 97 HA GLU 17 HA GLU 17 10.323 -3.103 -6.498 98 HB2 GLU 17 1HB GLU 17 9.067 -1.405 -4.354 99 HB3 GLU 17 2HB GLU 17 10.797 -1.716 -4.382 100 HG2 GLU 17 1HG GLU 17 10.712 0.256 -5.517 101 HG3 GLU 17 2HG GLU 17 10.595 -0.884 -6.856 102 H CYS 18 H CYS 18 8.512 -3.424 -3.438 103 HA CYS 18 HA CYS 18 10.284 -5.651 -2.712 104 HB2 CYS 18 1HB CYS 18 9.324 -5.279 -0.398 105 HB3 CYS 18 2HB CYS 18 10.309 -3.964 -1.032 106 H GLY 19 H GLY 19 6.846 -4.714 -2.544 107 HA2 GLY 19 1HA GLY 19 5.333 -6.428 -3.604 108 HA3 GLY 19 2HA GLY 19 6.177 -7.591 -2.593 109 H LYS 20 H LYS 20 5.533 -4.454 -1.302 110 HA LYS 20 HA LYS 20 4.264 -5.317 0.982 111 HB2 LYS 20 1HB LYS 20 5.138 -2.949 0.243 112 HB3 LYS 20 2HB LYS 20 3.460 -2.697 -0.222 113 HG2 LYS 20 1HG LYS 20 2.702 -2.791 1.953 114 HG3 LYS 20 2HG LYS 20 4.103 -3.707 2.512 115 HD2 LYS 20 1HD LYS 20 5.457 -1.826 2.602 116 HD3 LYS 20 2HD LYS 20 4.445 -0.921 1.474 117 HE2 LYS 20 1HE LYS 20 4.118 0.009 3.646 118 HE3 LYS 20 2HE LYS 20 2.663 -0.892 3.227 119 HZ1 LYS 20 3HZ LYS 20 4.015 -1.153 5.535 120 HZ2 LYS 20 1HZ LYS 20 4.653 -2.435 4.634 121 HZ3 LYS 20 2HZ LYS 20 2.985 -2.330 4.890 122 H GLY 21 H GLY 21 2.020 -5.058 1.688 123 HA2 GLY 21 1HA GLY 21 0.183 -5.919 -0.439 124 HA3 GLY 21 2HA GLY 21 -0.033 -6.210 1.280 125 H PHE 22 H PHE 22 -1.711 -4.900 -0.887 126 HA PHE 22 HA PHE 22 -2.581 -2.671 0.766 127 HB2 PHE 22 1HB PHE 22 -1.993 -2.286 -2.175 128 HB3 PHE 22 2HB PHE 22 -2.613 -1.072 -1.060 129 HD1 PHE 22 HD1 PHE 22 -1.119 -0.454 0.937 130 HD2 PHE 22 HD2 PHE 22 0.286 -2.498 -2.523 131 HE1 PHE 22 HE1 PHE 22 1.183 0.232 1.470 132 HE2 PHE 22 HE2 PHE 22 2.590 -1.815 -1.995 133 HZ PHE 22 HZ PHE 22 3.041 -0.449 0.004 134 H TYR 23 H TYR 23 -4.602 -1.631 -0.411 135 HA TYR 23 HA TYR 23 -6.221 -3.807 -1.554 136 HB2 TYR 23 1HB TYR 23 -7.109 -1.814 0.541 137 HB3 TYR 23 2HB TYR 23 -8.150 -2.997 -0.242 138 HD1 TYR 23 HD1 TYR 23 -6.495 -5.410 -0.225 139 HD2 TYR 23 HD2 TYR 23 -7.002 -2.438 2.776 140 HE1 TYR 23 HE1 TYR 23 -5.918 -7.064 1.501 141 HE2 TYR 23 HE2 TYR 23 -6.426 -4.083 4.511 142 HH TYR 23 HH TYR 23 -5.201 -7.239 3.717 143 H THR 24 H THR 24 -5.492 -0.404 -1.377 144 HA THR 24 HA THR 24 -7.174 0.037 -3.757 145 HB THR 24 HB THR 24 -7.413 2.405 -3.027 146 HG1 THR 24 HG1 THR 24 -5.504 1.979 -1.446 147 HG21 THR 24 3HG2 THR 24 -9.140 2.003 -1.412 148 HG22 THR 24 1HG2 THR 24 -8.416 0.464 -0.944 149 HG23 THR 24 2HG2 THR 24 -9.134 0.651 -2.544 150 H ASN 25 H ASN 25 -6.212 0.920 -5.495 151 HA ASN 25 HA ASN 25 -3.560 0.884 -5.988 152 HB2 ASN 25 1HB ASN 25 -3.934 2.506 -7.793 153 HB3 ASN 25 2HB ASN 25 -5.246 1.333 -7.716 154 HD21 ASN 25 1HD2 ASN 25 -4.391 4.607 -7.643 155 HD22 ASN 25 2HD2 ASN 25 -5.956 5.259 -7.310 156 H SER 26 H SER 26 -5.336 3.646 -4.646 157 HA SER 26 HA SER 26 -3.326 5.530 -4.566 158 HB2 SER 26 1HB SER 26 -4.530 6.489 -2.600 159 HB3 SER 26 2HB SER 26 -5.601 6.092 -3.945 160 HG SER 26 HG SER 26 -6.166 4.183 -2.848 161 H GLN 27 H GLN 27 -4.138 3.181 -2.011 162 HA GLN 27 HA GLN 27 -2.097 3.845 -0.239 163 HB2 GLN 27 1HB GLN 27 -3.721 1.384 -0.719 164 HB3 GLN 27 2HB GLN 27 -2.348 1.293 0.377 165 HG2 GLN 27 1HG GLN 27 -3.403 3.347 1.516 166 HG3 GLN 27 2HG GLN 27 -4.860 2.892 0.635 167 HE21 GLN 27 1HE2 GLN 27 -5.663 2.695 2.877 168 HE22 GLN 27 2HE2 GLN 27 -5.453 1.182 3.684 169 H CYS 28 H CYS 28 -2.125 1.389 -2.809 170 HA CYS 28 HA CYS 28 0.394 0.315 -2.420 171 HB2 CYS 28 1HB CYS 28 -1.101 -0.705 -3.990 172 HB3 CYS 28 2HB CYS 28 -1.164 0.756 -4.968 173 HG CYS 28 HG CYS 28 0.515 -0.254 -6.630 174 H TYR 29 H TYR 29 -0.522 3.146 -4.354 175 HA TYR 29 HA TYR 29 2.086 3.711 -5.290 176 HB2 TYR 29 1HB TYR 29 -0.050 4.578 -6.288 177 HB3 TYR 29 2HB TYR 29 -0.179 5.680 -4.922 178 HD1 TYR 29 HD1 TYR 29 1.765 4.855 -7.941 179 HD2 TYR 29 HD2 TYR 29 1.173 7.652 -4.791 180 HE1 TYR 29 HE1 TYR 29 3.167 6.486 -9.134 181 HE2 TYR 29 HE2 TYR 29 2.573 9.292 -5.976 182 HH TYR 29 HH TYR 29 4.275 9.385 -7.657 183 H SER 30 H SER 30 0.154 5.262 -2.725 184 HA SER 30 HA SER 30 1.811 7.140 -1.759 185 HB2 SER 30 1HB SER 30 0.178 5.146 -0.182 186 HB3 SER 30 2HB SER 30 0.973 6.535 0.561 187 HG SER 30 HG SER 30 -1.144 7.077 0.032 188 H HIS 31 H HIS 31 2.339 3.708 -1.593 189 HA HIS 31 HA HIS 31 4.627 4.020 0.189 190 HB2 HIS 31 1HB HIS 31 3.462 2.103 0.791 191 HB3 HIS 31 2HB HIS 31 3.088 1.682 -0.878 192 HD1 HIS 31 HD1 HIS 31 5.671 1.261 1.761 193 HD2 HIS 31 HD2 HIS 31 5.137 0.293 -2.244 194 HE1 HIS 31 HE1 HIS 31 7.471 -0.411 1.228 195 H GLN 32 H GLN 32 3.911 2.880 -3.097 196 HA GLN 32 HA GLN 32 6.419 2.132 -3.929 197 HB2 GLN 32 1HB GLN 32 4.033 3.256 -5.301 198 HB3 GLN 32 2HB GLN 32 5.542 3.228 -6.204 199 HG2 GLN 32 1HG GLN 32 5.721 0.811 -5.785 200 HG3 GLN 32 2HG GLN 32 4.168 0.862 -4.953 201 HE21 GLN 32 1HE2 GLN 32 3.975 -0.841 -6.771 202 HE22 GLN 32 2HE2 GLN 32 3.271 -0.269 -8.241 203 H ARG 33 H ARG 33 5.017 5.400 -4.079 204 HA ARG 33 HA ARG 33 7.028 6.790 -5.287 205 HB2 ARG 33 1HB ARG 33 6.309 8.755 -4.005 206 HB3 ARG 33 2HB ARG 33 4.932 7.826 -4.583 207 HG2 ARG 33 1HG ARG 33 5.019 6.715 -2.243 208 HG3 ARG 33 2HG ARG 33 5.971 8.134 -1.802 209 HD2 ARG 33 1HD ARG 33 3.312 8.361 -3.180 210 HD3 ARG 33 2HD ARG 33 3.446 8.240 -1.426 211 HE ARG 33 HE ARG 33 5.139 10.286 -2.359 212 HH11 ARG 33 1HH1 ARG 33 1.761 9.558 -1.938 213 HH12 ARG 33 2HH1 ARG 33 1.295 11.215 -1.738 214 HH21 ARG 33 1HH2 ARG 33 4.538 12.471 -2.098 215 HH22 ARG 33 2HH2 ARG 33 2.876 12.871 -1.831 216 H SER 34 H SER 34 6.964 5.561 -2.003 217 HA SER 34 HA SER 34 9.135 6.964 -0.942 218 HB2 SER 34 1HB SER 34 7.601 5.592 0.419 219 HB3 SER 34 2HB SER 34 8.266 4.131 -0.312 220 HG SER 34 HG SER 34 9.205 4.667 1.741 221 H HIS 35 H HIS 35 9.055 3.818 -2.597 222 HA HIS 35 HA HIS 35 11.702 3.100 -2.420 223 HB2 HIS 35 1HB HIS 35 9.599 2.645 -4.501 224 HB3 HIS 35 2HB HIS 35 11.251 2.127 -4.824 225 HD1 HIS 35 HD1 HIS 35 12.264 0.508 -2.825 226 HD2 HIS 35 HD2 HIS 35 8.134 0.796 -3.180 227 HE1 HIS 35 HE1 HIS 35 11.344 -1.495 -1.614 228 H SER 36 H SER 36 13.581 3.755 -3.284 229 HA SER 36 HA SER 36 13.844 5.148 -5.727 230 HB2 SER 36 1HB SER 36 14.484 7.358 -4.910 231 HB3 SER 36 2HB SER 36 12.837 6.984 -4.403 232 HG SER 36 HG SER 36 13.460 6.932 -2.377 233 H GLY 37 H GLY 37 15.706 4.309 -6.383 234 HA2 GLY 37 1HA GLY 37 18.097 4.669 -4.793 235 HA3 GLY 37 2HA GLY 37 17.619 2.992 -5.007 236 H GLU 38 H GLU 38 17.563 5.781 -7.218 237 HA GLU 38 HA GLU 38 19.241 4.209 -9.062 238 HB2 GLU 38 1HB GLU 38 16.864 4.565 -9.793 239 HB3 GLU 38 2HB GLU 38 17.195 6.291 -9.837 240 HG2 GLU 38 1HG GLU 38 17.354 5.397 -12.053 241 HG3 GLU 38 2HG GLU 38 18.960 5.880 -11.507 242 H LYS 39 H LYS 39 21.231 5.011 -9.079 243 HA LYS 39 HA LYS 39 21.647 7.876 -8.665 244 HB2 LYS 39 1HB LYS 39 22.944 5.862 -7.527 245 HB3 LYS 39 2HB LYS 39 23.911 5.960 -8.992 246 HG2 LYS 39 1HG LYS 39 25.104 7.379 -7.696 247 HG3 LYS 39 2HG LYS 39 23.936 8.534 -8.342 248 HD2 LYS 39 1HD LYS 39 23.531 7.056 -5.749 249 HD3 LYS 39 2HD LYS 39 24.318 8.633 -5.848 250 HE2 LYS 39 1HE LYS 39 22.190 9.337 -5.479 251 HE3 LYS 39 2HE LYS 39 22.120 9.199 -7.236 252 HZ1 LYS 39 3HZ LYS 39 21.230 7.117 -5.313 253 HZ2 LYS 39 1HZ LYS 39 21.140 7.012 -7.000 254 HZ3 LYS 39 2HZ LYS 39 20.211 8.158 -6.172 255 HA PRO 40 HA PRO 40 22.074 8.333 -13.081 256 HB2 PRO 40 1HB PRO 40 22.612 10.994 -13.024 257 HB3 PRO 40 2HB PRO 40 20.982 10.339 -12.825 258 HG2 PRO 40 1HG PRO 40 22.914 11.275 -10.739 259 HG3 PRO 40 2HG PRO 40 21.169 11.564 -10.858 260 HD2 PRO 40 1HD PRO 40 22.226 9.689 -9.216 261 HD3 PRO 40 2HD PRO 40 20.640 9.496 -9.988 262 H SER 41 H SER 41 24.419 9.287 -10.658 263 HA SER 41 HA SER 41 26.562 8.761 -12.590 264 HB2 SER 41 1HB SER 41 26.104 11.273 -12.249 265 HB3 SER 41 2HB SER 41 26.780 11.044 -10.636 266 HG SER 41 HG SER 41 28.209 11.651 -12.554 267 H GLY 42 H GLY 42 28.722 8.548 -11.435 268 HA2 GLY 42 1HA GLY 42 29.963 7.933 -9.512 269 HA3 GLY 42 2HA GLY 42 28.454 7.598 -8.677 270 HA PRO 43 HA PRO 43 29.520 3.841 -11.583 271 HB2 PRO 43 1HB PRO 43 32.154 3.625 -12.203 272 HB3 PRO 43 2HB PRO 43 30.993 4.483 -13.224 273 HG2 PRO 43 1HG PRO 43 32.938 5.583 -11.231 274 HG3 PRO 43 2HG PRO 43 32.538 6.181 -12.853 275 HD2 PRO 43 1HD PRO 43 31.516 7.283 -10.600 276 HD3 PRO 43 2HD PRO 43 30.616 7.228 -12.130 277 H SER 44 H SER 44 30.762 5.005 -8.757 278 HA SER 44 HA SER 44 32.321 2.710 -7.969 279 HB2 SER 44 1HB SER 44 31.483 5.272 -6.679 280 HB3 SER 44 2HB SER 44 31.987 3.937 -5.643 281 HG SER 44 HG SER 44 33.980 4.228 -6.252 282 H SER 45 H SER 45 31.328 0.839 -7.611 283 HA SER 45 HA SER 45 28.622 0.808 -6.515 284 HB2 SER 45 1HB SER 45 28.614 -1.568 -7.106 285 HB3 SER 45 2HB SER 45 29.117 -0.595 -8.488 286 HG SER 45 HG SER 45 31.125 -1.344 -8.312 287 H GLY 46 H GLY 46 28.204 -1.076 -4.927 288 HA2 GLY 46 1HA GLY 46 29.976 -2.248 -3.247 289 HA3 GLY 46 2HA GLY 46 29.896 -0.602 -2.635 Start of MODEL 14 1 H1 GLY 1 H GLY 1 18.939 -21.772 12.246 2 HA2 GLY 1 1HA GLY 1 18.307 -21.941 9.848 3 HA3 GLY 1 2HA GLY 1 18.526 -23.676 10.022 4 H SER 2 H SER 2 16.292 -21.220 9.981 5 HA SER 2 HA SER 2 14.117 -22.939 10.529 6 HB2 SER 2 1HB SER 2 13.256 -21.699 12.552 7 HB3 SER 2 2HB SER 2 14.674 -22.703 12.851 8 HG SER 2 HG SER 2 15.752 -20.501 12.264 9 H SER 3 H SER 3 12.785 -22.239 9.004 10 HA SER 3 HA SER 3 12.368 -19.334 8.732 11 HB2 SER 3 1HB SER 3 13.581 -20.525 6.809 12 HB3 SER 3 2HB SER 3 12.033 -21.297 6.466 13 HG SER 3 HG SER 3 12.255 -19.406 5.246 14 H GLY 4 H GLY 4 10.571 -19.275 10.077 15 HA2 GLY 4 1HA GLY 4 8.365 -21.086 9.718 16 HA3 GLY 4 2HA GLY 4 8.401 -19.678 10.769 17 H SER 5 H SER 5 6.610 -20.874 8.484 18 HA SER 5 HA SER 5 6.464 -18.644 6.650 19 HB2 SER 5 1HB SER 5 4.510 -19.915 5.711 20 HB3 SER 5 2HB SER 5 6.017 -20.831 5.744 21 HG SER 5 HG SER 5 5.154 -22.184 7.105 22 H SER 6 H SER 6 4.437 -17.472 6.280 23 HA SER 6 HA SER 6 3.231 -16.719 8.832 24 HB2 SER 6 1HB SER 6 4.213 -14.979 7.306 25 HB3 SER 6 2HB SER 6 2.935 -15.351 6.149 26 HG SER 6 HG SER 6 2.173 -14.783 8.769 27 H GLY 7 H GLY 7 2.197 -17.478 5.505 28 HA2 GLY 7 1HA GLY 7 0.411 -19.017 5.069 29 HA3 GLY 7 2HA GLY 7 -0.274 -18.607 6.635 30 H SER 8 H SER 8 0.507 -17.133 3.492 31 HA SER 8 HA SER 8 -2.138 -16.018 3.301 32 HB2 SER 8 1HB SER 8 -0.841 -14.398 4.772 33 HB3 SER 8 2HB SER 8 0.158 -14.056 3.360 34 HG SER 8 HG SER 8 -1.395 -12.586 3.159 35 H GLY 9 H GLY 9 -2.723 -15.977 1.225 36 HA2 GLY 9 1HA GLY 9 -0.952 -16.819 -0.816 37 HA3 GLY 9 2HA GLY 9 -2.584 -16.213 -1.056 38 H GLU 10 H GLU 10 -2.915 -14.012 -1.461 39 HA GLU 10 HA GLU 10 -0.676 -12.201 -1.578 40 HB2 GLU 10 1HB GLU 10 -0.580 -11.860 -3.904 41 HB3 GLU 10 2HB GLU 10 -0.590 -13.607 -3.707 42 HG2 GLU 10 1HG GLU 10 -3.098 -13.481 -4.081 43 HG3 GLU 10 2HG GLU 10 -2.824 -11.823 -4.613 44 H LYS 11 H LYS 11 -1.518 -10.129 -2.897 45 HA LYS 11 HA LYS 11 -4.251 -9.589 -1.932 46 HB2 LYS 11 1HB LYS 11 -1.730 -8.034 -1.657 47 HB3 LYS 11 2HB LYS 11 -3.211 -7.125 -1.927 48 HG2 LYS 11 1HG LYS 11 -4.121 -7.742 0.090 49 HG3 LYS 11 2HG LYS 11 -3.151 -9.212 0.200 50 HD2 LYS 11 1HD LYS 11 -1.157 -7.875 0.634 51 HD3 LYS 11 2HD LYS 11 -2.107 -6.394 0.488 52 HE2 LYS 11 1HE LYS 11 -3.459 -7.073 2.407 53 HE3 LYS 11 2HE LYS 11 -2.524 -8.561 2.546 54 HZ1 LYS 11 3HZ LYS 11 -0.682 -7.436 3.305 55 HZ2 LYS 11 1HZ LYS 11 -1.929 -6.541 4.017 56 HZ3 LYS 11 2HZ LYS 11 -1.154 -5.958 2.632 57 HA PRO 12 HA PRO 12 -5.380 -8.217 -5.943 58 HB2 PRO 12 1HB PRO 12 -6.965 -6.078 -5.407 59 HB3 PRO 12 2HB PRO 12 -7.462 -7.745 -5.094 60 HG2 PRO 12 1HG PRO 12 -6.370 -5.706 -3.194 61 HG3 PRO 12 2HG PRO 12 -7.714 -6.841 -2.967 62 HD2 PRO 12 1HD PRO 12 -5.243 -7.287 -1.954 63 HD3 PRO 12 2HD PRO 12 -6.309 -8.603 -2.485 64 H PHE 13 H PHE 13 -3.616 -6.140 -3.862 65 HA PHE 13 HA PHE 13 -2.403 -4.811 -6.112 66 HB2 PHE 13 1HB PHE 13 -3.971 -3.217 -4.075 67 HB3 PHE 13 2HB PHE 13 -2.860 -2.520 -5.249 68 HD1 PHE 13 HD2 PHE 13 -6.033 -4.364 -4.868 69 HD2 PHE 13 HD1 PHE 13 -3.520 -2.132 -7.478 70 HE1 PHE 13 HE2 PHE 13 -7.860 -4.237 -6.512 71 HE2 PHE 13 HE1 PHE 13 -5.343 -2.000 -9.126 72 HZ PHE 13 HZ PHE 13 -7.515 -3.054 -8.644 73 H LYS 14 H LYS 14 -0.330 -5.095 -5.642 74 HA LYS 14 HA LYS 14 0.613 -4.346 -2.960 75 HB2 LYS 14 1HB LYS 14 2.286 -6.230 -3.149 76 HB3 LYS 14 2HB LYS 14 0.617 -6.722 -2.890 77 HG2 LYS 14 1HG LYS 14 1.169 -8.178 -4.535 78 HG3 LYS 14 2HG LYS 14 0.629 -6.829 -5.537 79 HD2 LYS 14 1HD LYS 14 2.880 -6.120 -5.917 80 HD3 LYS 14 2HD LYS 14 3.499 -7.266 -4.726 81 HE2 LYS 14 1HE LYS 14 3.923 -8.446 -6.628 82 HE3 LYS 14 2HE LYS 14 2.281 -9.003 -6.309 83 HZ1 LYS 14 3HZ LYS 14 2.249 -6.616 -7.837 84 HZ2 LYS 14 1HZ LYS 14 1.596 -8.131 -8.211 85 HZ3 LYS 14 2HZ LYS 14 3.205 -7.784 -8.601 86 H CYS 15 H CYS 15 2.884 -3.755 -2.877 87 HA CYS 15 HA CYS 15 3.626 -1.983 -4.914 88 HB2 CYS 15 1HB CYS 15 4.394 -1.864 -2.541 89 HB3 CYS 15 2HB CYS 15 5.447 -3.240 -2.852 90 H GLU 16 H GLU 16 5.208 -2.067 -6.512 91 HA GLU 16 HA GLU 16 5.712 -4.737 -7.553 92 HB2 GLU 16 1HB GLU 16 5.956 -3.774 -9.616 93 HB3 GLU 16 2HB GLU 16 4.931 -2.567 -8.853 94 HG2 GLU 16 1HG GLU 16 6.894 -1.212 -8.344 95 HG3 GLU 16 2HG GLU 16 7.928 -2.424 -9.097 96 H GLU 17 H GLU 17 7.358 -2.239 -5.873 97 HA GLU 17 HA GLU 17 10.009 -2.921 -6.699 98 HB2 GLU 17 1HB GLU 17 8.885 -1.258 -4.458 99 HB3 GLU 17 2HB GLU 17 10.609 -1.577 -4.586 100 HG2 GLU 17 1HG GLU 17 8.949 -0.291 -6.740 101 HG3 GLU 17 2HG GLU 17 9.916 0.587 -5.556 102 H CYS 18 H CYS 18 8.346 -3.316 -3.565 103 HA CYS 18 HA CYS 18 10.162 -5.548 -2.969 104 HB2 CYS 18 1HB CYS 18 9.333 -5.232 -0.606 105 HB3 CYS 18 2HB CYS 18 10.250 -3.880 -1.263 106 H GLY 19 H GLY 19 6.732 -4.627 -2.656 107 HA2 GLY 19 1HA GLY 19 5.254 -6.420 -3.721 108 HA3 GLY 19 2HA GLY 19 6.061 -7.498 -2.592 109 H LYS 20 H LYS 20 5.730 -4.517 -1.160 110 HA LYS 20 HA LYS 20 4.263 -5.150 0.977 111 HB2 LYS 20 1HB LYS 20 5.211 -2.840 0.165 112 HB3 LYS 20 2HB LYS 20 3.556 -2.568 -0.364 113 HG2 LYS 20 1HG LYS 20 3.438 -1.671 1.718 114 HG3 LYS 20 2HG LYS 20 3.016 -3.341 2.104 115 HD2 LYS 20 1HD LYS 20 5.890 -2.566 2.134 116 HD3 LYS 20 2HD LYS 20 4.864 -2.029 3.466 117 HE2 LYS 20 1HE LYS 20 4.105 -4.516 3.528 118 HE3 LYS 20 2HE LYS 20 5.595 -4.808 2.633 119 HZ1 LYS 20 3HZ LYS 20 5.401 -3.475 5.281 120 HZ2 LYS 20 1HZ LYS 20 6.832 -3.751 4.421 121 HZ3 LYS 20 2HZ LYS 20 5.933 -5.058 5.008 122 H GLY 21 H GLY 21 2.129 -5.338 1.611 123 HA2 GLY 21 1HA GLY 21 0.266 -5.949 -0.556 124 HA3 GLY 21 2HA GLY 21 0.067 -6.378 1.136 125 H PHE 22 H PHE 22 -1.635 -4.921 -0.928 126 HA PHE 22 HA PHE 22 -2.525 -2.837 0.902 127 HB2 PHE 22 1HB PHE 22 -1.965 -2.263 -2.016 128 HB3 PHE 22 2HB PHE 22 -2.648 -1.136 -0.848 129 HD1 PHE 22 HD1 PHE 22 -1.174 -0.705 1.274 130 HD2 PHE 22 HD2 PHE 22 0.296 -2.214 -2.424 131 HE1 PHE 22 HE1 PHE 22 1.090 0.050 1.871 132 HE2 PHE 22 HE2 PHE 22 2.563 -1.462 -1.833 133 HZ PHE 22 HZ PHE 22 2.963 -0.329 0.316 134 H TYR 23 H TYR 23 -4.594 -1.770 -0.138 135 HA TYR 23 HA TYR 23 -6.209 -3.923 -1.337 136 HB2 TYR 23 1HB TYR 23 -7.065 -1.940 0.781 137 HB3 TYR 23 2HB TYR 23 -8.128 -3.099 -0.008 138 HD1 TYR 23 HD1 TYR 23 -6.469 -5.525 -0.040 139 HD2 TYR 23 HD2 TYR 23 -6.984 -2.603 3.010 140 HE1 TYR 23 HE1 TYR 23 -5.900 -7.208 1.660 141 HE2 TYR 23 HE2 TYR 23 -6.416 -4.279 4.719 142 HH TYR 23 HH TYR 23 -5.221 -6.393 4.899 143 H THR 24 H THR 24 -5.461 -0.527 -1.171 144 HA THR 24 HA THR 24 -7.262 -0.043 -3.456 145 HB THR 24 HB THR 24 -7.338 2.317 -2.792 146 HG1 THR 24 HG1 THR 24 -5.477 1.420 -0.902 147 HG21 THR 24 3HG2 THR 24 -8.088 1.255 -0.209 148 HG22 THR 24 1HG2 THR 24 -8.601 0.185 -1.513 149 HG23 THR 24 2HG2 THR 24 -9.109 1.874 -1.507 150 H ASN 25 H ASN 25 -6.424 0.785 -5.293 151 HA ASN 25 HA ASN 25 -3.764 0.546 -5.938 152 HB2 ASN 25 1HB ASN 25 -5.199 0.745 -7.766 153 HB3 ASN 25 2HB ASN 25 -5.991 2.177 -7.114 154 HD21 ASN 25 1HD2 ASN 25 -2.850 1.047 -8.293 155 HD22 ASN 25 2HD2 ASN 25 -2.405 2.535 -9.050 156 H SER 26 H SER 26 -5.462 3.411 -4.745 157 HA SER 26 HA SER 26 -3.513 5.332 -5.041 158 HB2 SER 26 1HB SER 26 -5.771 5.825 -4.211 159 HB3 SER 26 2HB SER 26 -5.404 4.999 -2.697 160 HG SER 26 HG SER 26 -3.668 6.580 -2.466 161 H GLN 27 H GLN 27 -4.026 3.356 -2.112 162 HA GLN 27 HA GLN 27 -1.791 4.185 -0.702 163 HB2 GLN 27 1HB GLN 27 -3.488 1.739 -0.675 164 HB3 GLN 27 2HB GLN 27 -1.963 1.683 0.197 165 HG2 GLN 27 1HG GLN 27 -3.919 2.320 1.586 166 HG3 GLN 27 2HG GLN 27 -2.605 3.496 1.596 167 HE21 GLN 27 1HE2 GLN 27 -2.852 5.420 0.353 168 HE22 GLN 27 2HE2 GLN 27 -4.426 6.031 -0.010 169 H CYS 28 H CYS 28 -2.089 1.384 -2.879 170 HA CYS 28 HA CYS 28 0.430 0.326 -2.674 171 HB2 CYS 28 1HB CYS 28 -1.161 -0.817 -4.014 172 HB3 CYS 28 2HB CYS 28 -1.393 0.577 -5.062 173 HG CYS 28 HG CYS 28 1.760 -0.272 -5.203 174 H TYR 29 H TYR 29 -0.595 3.059 -4.680 175 HA TYR 29 HA TYR 29 1.979 3.454 -5.853 176 HB2 TYR 29 1HB TYR 29 -0.348 4.205 -6.725 177 HB3 TYR 29 2HB TYR 29 -0.124 5.593 -5.666 178 HD1 TYR 29 HD2 TYR 29 2.184 6.840 -5.956 179 HD2 TYR 29 HD1 TYR 29 0.409 4.340 -8.905 180 HE1 TYR 29 HE2 TYR 29 3.516 7.957 -7.696 181 HE2 TYR 29 HE1 TYR 29 1.737 5.449 -10.653 182 HH TYR 29 HH TYR 29 3.688 6.755 -10.933 183 H SER 30 H SER 30 0.211 4.923 -3.168 184 HA SER 30 HA SER 30 1.867 7.046 -2.569 185 HB2 SER 30 1HB SER 30 -0.350 6.294 -1.455 186 HB3 SER 30 2HB SER 30 0.684 5.347 -0.385 187 HG SER 30 HG SER 30 1.363 8.018 -0.776 188 H HIS 31 H HIS 31 2.073 3.754 -1.214 189 HA HIS 31 HA HIS 31 4.386 4.117 0.288 190 HB2 HIS 31 1HB HIS 31 3.340 2.119 0.770 191 HB3 HIS 31 2HB HIS 31 3.028 1.751 -0.924 192 HD1 HIS 31 HD1 HIS 31 5.549 1.316 1.771 193 HD2 HIS 31 HD2 HIS 31 5.163 0.489 -2.282 194 HE1 HIS 31 HE1 HIS 31 7.422 -0.271 1.227 195 H GLN 32 H GLN 32 4.040 3.011 -3.070 196 HA GLN 32 HA GLN 32 6.565 2.343 -3.762 197 HB2 GLN 32 1HB GLN 32 4.365 2.725 -5.192 198 HB3 GLN 32 2HB GLN 32 5.172 4.234 -5.601 199 HG2 GLN 32 1HG GLN 32 7.077 3.023 -6.462 200 HG3 GLN 32 2HG GLN 32 6.355 1.491 -5.970 201 HE21 GLN 32 1HE2 GLN 32 5.487 0.413 -7.574 202 HE22 GLN 32 2HE2 GLN 32 4.738 1.087 -8.977 203 H ARG 33 H ARG 33 5.340 5.644 -3.404 204 HA ARG 33 HA ARG 33 7.333 7.189 -4.364 205 HB2 ARG 33 1HB ARG 33 5.993 7.562 -1.679 206 HB3 ARG 33 2HB ARG 33 6.843 8.813 -2.577 207 HG2 ARG 33 1HG ARG 33 4.328 7.393 -3.425 208 HG3 ARG 33 2HG ARG 33 4.464 9.061 -2.864 209 HD2 ARG 33 1HD ARG 33 6.200 9.209 -4.851 210 HD3 ARG 33 2HD ARG 33 5.256 7.852 -5.464 211 HE ARG 33 HE ARG 33 3.588 9.318 -5.978 212 HH11 ARG 33 1HH1 ARG 33 5.668 10.788 -3.605 213 HH12 ARG 33 2HH1 ARG 33 4.862 12.322 -3.658 214 HH21 ARG 33 1HH2 ARG 33 2.519 11.332 -6.057 215 HH22 ARG 33 2HH2 ARG 33 3.071 12.629 -5.053 216 H SER 34 H SER 34 7.380 5.540 -1.221 217 HA SER 34 HA SER 34 9.691 6.468 -0.122 218 HB2 SER 34 1HB SER 34 8.188 4.763 0.905 219 HB3 SER 34 2HB SER 34 8.887 3.549 -0.167 220 HG SER 34 HG SER 34 9.808 3.794 2.041 221 H HIS 35 H HIS 35 9.453 3.806 -2.472 222 HA HIS 35 HA HIS 35 12.223 3.329 -2.666 223 HB2 HIS 35 1HB HIS 35 10.024 2.799 -4.675 224 HB3 HIS 35 2HB HIS 35 11.656 2.143 -4.770 225 HD1 HIS 35 HD1 HIS 35 12.327 0.451 -2.808 226 HD2 HIS 35 HD2 HIS 35 8.287 1.367 -3.121 227 HE1 HIS 35 HE1 HIS 35 11.131 -1.323 -1.486 228 H SER 36 H SER 36 10.033 5.338 -4.600 229 HA SER 36 HA SER 36 11.733 6.141 -6.611 230 HB2 SER 36 1HB SER 36 9.273 6.723 -6.316 231 HB3 SER 36 2HB SER 36 9.803 8.022 -5.247 232 HG SER 36 HG SER 36 9.866 9.059 -7.099 233 H GLY 37 H GLY 37 13.779 6.773 -6.335 234 HA2 GLY 37 1HA GLY 37 15.017 8.899 -5.885 235 HA3 GLY 37 2HA GLY 37 14.316 8.824 -4.275 236 H GLU 38 H GLU 38 14.663 6.243 -3.538 237 HA GLU 38 HA GLU 38 17.227 6.129 -2.567 238 HB2 GLU 38 1HB GLU 38 15.278 4.714 -1.847 239 HB3 GLU 38 2HB GLU 38 15.566 3.702 -3.255 240 HG2 GLU 38 1HG GLU 38 17.871 3.291 -2.389 241 HG3 GLU 38 2HG GLU 38 17.404 4.140 -0.917 242 H LYS 39 H LYS 39 19.170 5.678 -3.371 243 HA LYS 39 HA LYS 39 19.631 5.335 -6.109 244 HB2 LYS 39 1HB LYS 39 21.334 5.027 -3.660 245 HB3 LYS 39 2HB LYS 39 21.970 4.566 -5.234 246 HG2 LYS 39 1HG LYS 39 22.061 6.716 -5.986 247 HG3 LYS 39 2HG LYS 39 20.724 7.248 -4.962 248 HD2 LYS 39 1HD LYS 39 22.154 7.174 -3.006 249 HD3 LYS 39 2HD LYS 39 23.486 6.534 -3.972 250 HE2 LYS 39 1HE LYS 39 23.760 8.558 -5.129 251 HE3 LYS 39 2HE LYS 39 22.185 9.163 -4.617 252 HZ1 LYS 39 3HZ LYS 39 24.709 9.390 -3.320 253 HZ2 LYS 39 1HZ LYS 39 23.561 8.693 -2.291 254 HZ3 LYS 39 2HZ LYS 39 23.260 10.201 -2.995 255 HA PRO 40 HA PRO 40 18.917 1.023 -6.706 256 HB2 PRO 40 1HB PRO 40 20.263 0.729 -9.045 257 HB3 PRO 40 2HB PRO 40 18.692 1.531 -8.935 258 HG2 PRO 40 1HG PRO 40 21.428 2.737 -9.071 259 HG3 PRO 40 2HG PRO 40 19.946 3.229 -9.911 260 HD2 PRO 40 1HD PRO 40 20.855 4.495 -7.697 261 HD3 PRO 40 2HD PRO 40 19.125 4.349 -8.071 262 H SER 41 H SER 41 22.154 2.384 -6.759 263 HA SER 41 HA SER 41 23.177 -0.028 -5.494 264 HB2 SER 41 1HB SER 41 24.259 1.061 -8.098 265 HB3 SER 41 2HB SER 41 25.156 -0.051 -7.065 266 HG SER 41 HG SER 41 22.915 -1.228 -7.300 267 H GLY 42 H GLY 42 24.473 0.497 -3.858 268 HA2 GLY 42 1HA GLY 42 25.449 3.264 -3.708 269 HA3 GLY 42 2HA GLY 42 25.243 2.174 -2.345 270 HA PRO 43 HA PRO 43 29.533 1.737 -4.614 271 HB2 PRO 43 1HB PRO 43 30.781 4.135 -4.369 272 HB3 PRO 43 2HB PRO 43 29.837 3.685 -5.793 273 HG2 PRO 43 1HG PRO 43 29.046 5.378 -3.454 274 HG3 PRO 43 2HG PRO 43 28.739 5.641 -5.181 275 HD2 PRO 43 1HD PRO 43 26.863 4.641 -3.503 276 HD3 PRO 43 2HD PRO 43 26.956 4.180 -5.215 277 H SER 44 H SER 44 28.617 3.621 -1.797 278 HA SER 44 HA SER 44 31.032 3.353 -0.357 279 HB2 SER 44 1HB SER 44 29.662 3.951 1.625 280 HB3 SER 44 2HB SER 44 29.376 5.030 0.260 281 HG SER 44 HG SER 44 27.694 2.940 0.145 282 H SER 45 H SER 45 31.730 1.854 1.108 283 HA SER 45 HA SER 45 30.191 -0.655 1.212 284 HB2 SER 45 1HB SER 45 33.171 -0.305 1.608 285 HB3 SER 45 2HB SER 45 32.292 -1.829 1.487 286 HG SER 45 HG SER 45 33.415 -0.872 -0.471 287 H GLY 46 H GLY 46 29.737 -1.597 3.147 288 HA2 GLY 46 1HA GLY 46 29.293 -0.235 5.419 289 HA3 GLY 46 2HA GLY 46 29.746 -1.933 5.444 Start of MODEL 15 1 H1 GLY 1 H GLY 1 12.334 -10.865 6.672 2 HA2 GLY 1 1HA GLY 1 10.581 -12.753 7.634 3 HA3 GLY 1 2HA GLY 1 9.571 -11.384 7.194 4 H SER 2 H SER 2 9.680 -14.079 6.045 5 HA SER 2 HA SER 2 9.720 -13.296 3.275 6 HB2 SER 2 1HB SER 2 11.806 -15.149 4.399 7 HB3 SER 2 2HB SER 2 11.269 -15.308 2.727 8 HG SER 2 HG SER 2 13.096 -13.931 2.939 9 H SER 3 H SER 3 8.791 -14.901 1.875 10 HA SER 3 HA SER 3 6.733 -16.409 3.178 11 HB2 SER 3 1HB SER 3 6.569 -15.195 0.924 12 HB3 SER 3 2HB SER 3 7.435 -16.576 0.249 13 HG SER 3 HG SER 3 5.713 -17.794 0.494 14 H GLY 4 H GLY 4 6.307 -18.721 2.233 15 HA2 GLY 4 1HA GLY 4 8.614 -20.326 1.679 16 HA3 GLY 4 2HA GLY 4 8.081 -20.494 3.346 17 H SER 5 H SER 5 5.315 -20.312 2.974 18 HA SER 5 HA SER 5 4.785 -22.739 1.387 19 HB2 SER 5 1HB SER 5 4.599 -23.245 3.753 20 HB3 SER 5 2HB SER 5 3.530 -21.865 4.000 21 HG SER 5 HG SER 5 3.010 -24.248 2.565 22 H SER 6 H SER 6 2.544 -22.948 0.611 23 HA SER 6 HA SER 6 1.709 -20.541 -0.680 24 HB2 SER 6 1HB SER 6 1.548 -22.971 -1.553 25 HB3 SER 6 2HB SER 6 0.076 -23.069 -0.587 26 HG SER 6 HG SER 6 -0.569 -22.385 -2.567 27 H GLY 7 H GLY 7 -0.867 -20.256 -0.733 28 HA2 GLY 7 1HA GLY 7 -2.860 -20.193 0.634 29 HA3 GLY 7 2HA GLY 7 -1.826 -20.209 2.055 30 H SER 8 H SER 8 -2.532 -18.357 3.015 31 HA SER 8 HA SER 8 -3.173 -15.957 1.767 32 HB2 SER 8 1HB SER 8 -2.293 -16.676 4.542 33 HB3 SER 8 2HB SER 8 -2.456 -14.977 4.095 34 HG SER 8 HG SER 8 -4.586 -15.226 3.844 35 H GLY 9 H GLY 9 -1.713 -15.358 0.189 36 HA2 GLY 9 1HA GLY 9 0.585 -13.895 1.118 37 HA3 GLY 9 2HA GLY 9 1.012 -15.336 0.207 38 H GLU 10 H GLU 10 -1.667 -13.056 -0.272 39 HA GLU 10 HA GLU 10 -0.437 -11.835 -2.555 40 HB2 GLU 10 1HB GLU 10 -1.534 -12.836 -4.290 41 HB3 GLU 10 2HB GLU 10 -1.441 -14.210 -3.198 42 HG2 GLU 10 1HG GLU 10 -3.701 -13.855 -2.471 43 HG3 GLU 10 2HG GLU 10 -3.808 -12.365 -3.408 44 H LYS 11 H LYS 11 -1.885 -10.248 -3.598 45 HA LYS 11 HA LYS 11 -4.305 -9.541 -2.172 46 HB2 LYS 11 1HB LYS 11 -1.748 -8.056 -1.873 47 HB3 LYS 11 2HB LYS 11 -3.211 -7.097 -2.060 48 HG2 LYS 11 1HG LYS 11 -4.160 -7.963 -0.095 49 HG3 LYS 11 2HG LYS 11 -2.989 -9.282 -0.015 50 HD2 LYS 11 1HD LYS 11 -1.215 -7.745 0.512 51 HD3 LYS 11 2HD LYS 11 -2.281 -6.362 0.258 52 HE2 LYS 11 1HE LYS 11 -3.511 -6.811 2.198 53 HE3 LYS 11 2HE LYS 11 -2.909 -8.464 2.304 54 HZ1 LYS 11 3HZ LYS 11 -0.854 -7.744 3.085 55 HZ2 LYS 11 1HZ LYS 11 -1.952 -6.746 3.899 56 HZ3 LYS 11 2HZ LYS 11 -1.092 -6.150 2.570 57 HA PRO 12 HA PRO 12 -5.537 -7.884 -6.043 58 HB2 PRO 12 1HB PRO 12 -7.010 -5.718 -5.329 59 HB3 PRO 12 2HB PRO 12 -7.563 -7.379 -5.085 60 HG2 PRO 12 1HG PRO 12 -6.315 -5.492 -3.126 61 HG3 PRO 12 2HG PRO 12 -7.694 -6.584 -2.904 62 HD2 PRO 12 1HD PRO 12 -5.206 -7.181 -2.019 63 HD3 PRO 12 2HD PRO 12 -6.345 -8.424 -2.575 64 H PHE 13 H PHE 13 -3.590 -6.013 -3.938 65 HA PHE 13 HA PHE 13 -2.378 -4.635 -6.141 66 HB2 PHE 13 1HB PHE 13 -3.853 -3.017 -4.052 67 HB3 PHE 13 2HB PHE 13 -2.777 -2.353 -5.278 68 HD1 PHE 13 HD2 PHE 13 -5.986 -4.089 -4.737 69 HD2 PHE 13 HD1 PHE 13 -3.520 -1.972 -7.486 70 HE1 PHE 13 HE2 PHE 13 -7.880 -3.915 -6.297 71 HE2 PHE 13 HE1 PHE 13 -5.411 -1.794 -9.050 72 HZ PHE 13 HZ PHE 13 -7.594 -2.767 -8.457 73 H LYS 14 H LYS 14 -0.301 -4.903 -5.697 74 HA LYS 14 HA LYS 14 0.653 -4.291 -2.987 75 HB2 LYS 14 1HB LYS 14 2.282 -6.187 -3.215 76 HB3 LYS 14 2HB LYS 14 0.603 -6.681 -3.046 77 HG2 LYS 14 1HG LYS 14 1.213 -8.053 -4.743 78 HG3 LYS 14 2HG LYS 14 0.714 -6.650 -5.692 79 HD2 LYS 14 1HD LYS 14 2.918 -5.998 -6.104 80 HD3 LYS 14 2HD LYS 14 3.552 -6.966 -4.771 81 HE2 LYS 14 1HE LYS 14 2.546 -8.947 -6.196 82 HE3 LYS 14 2HE LYS 14 2.743 -7.794 -7.515 83 HZ1 LYS 14 3HZ LYS 14 5.096 -7.715 -6.076 84 HZ2 LYS 14 1HZ LYS 14 4.855 -8.409 -7.599 85 HZ3 LYS 14 2HZ LYS 14 4.710 -9.356 -6.206 86 H CYS 15 H CYS 15 3.038 -3.922 -2.931 87 HA CYS 15 HA CYS 15 3.771 -2.024 -4.900 88 HB2 CYS 15 1HB CYS 15 4.533 -1.940 -2.539 89 HB3 CYS 15 2HB CYS 15 5.528 -3.363 -2.832 90 H GLU 16 H GLU 16 5.505 -2.084 -6.395 91 HA GLU 16 HA GLU 16 5.903 -4.731 -7.554 92 HB2 GLU 16 1HB GLU 16 6.241 -3.697 -9.568 93 HB3 GLU 16 2HB GLU 16 5.245 -2.479 -8.784 94 HG2 GLU 16 1HG GLU 16 6.893 -1.137 -9.550 95 HG3 GLU 16 2HG GLU 16 7.614 -1.584 -8.005 96 H GLU 17 H GLU 17 7.632 -2.264 -5.849 97 HA GLU 17 HA GLU 17 10.260 -3.064 -6.588 98 HB2 GLU 17 1HB GLU 17 9.150 -1.409 -4.334 99 HB3 GLU 17 2HB GLU 17 10.863 -1.790 -4.435 100 HG2 GLU 17 1HG GLU 17 9.350 -0.462 -6.663 101 HG3 GLU 17 2HG GLU 17 10.161 0.432 -5.378 102 H CYS 18 H CYS 18 8.517 -3.456 -3.497 103 HA CYS 18 HA CYS 18 10.224 -5.777 -2.918 104 HB2 CYS 18 1HB CYS 18 9.364 -5.471 -0.562 105 HB3 CYS 18 2HB CYS 18 10.361 -4.155 -1.175 106 H GLY 19 H GLY 19 6.834 -4.710 -2.633 107 HA2 GLY 19 1HA GLY 19 5.282 -6.395 -3.753 108 HA3 GLY 19 2HA GLY 19 6.036 -7.550 -2.664 109 H LYS 20 H LYS 20 5.750 -4.523 -1.227 110 HA LYS 20 HA LYS 20 4.295 -5.175 0.932 111 HB2 LYS 20 1HB LYS 20 5.304 -2.893 0.236 112 HB3 LYS 20 2HB LYS 20 3.711 -2.560 -0.431 113 HG2 LYS 20 1HG LYS 20 3.427 -1.669 1.631 114 HG3 LYS 20 2HG LYS 20 2.950 -3.330 1.988 115 HD2 LYS 20 1HD LYS 20 5.825 -2.621 2.239 116 HD3 LYS 20 2HD LYS 20 4.716 -2.025 3.476 117 HE2 LYS 20 1HE LYS 20 3.896 -4.388 3.727 118 HE3 LYS 20 2HE LYS 20 5.221 -4.885 2.676 119 HZ1 LYS 20 3HZ LYS 20 5.568 -3.416 5.232 120 HZ2 LYS 20 1HZ LYS 20 6.797 -4.043 4.253 121 HZ3 LYS 20 2HZ LYS 20 5.740 -5.090 5.058 122 H GLY 21 H GLY 21 2.175 -5.398 1.554 123 HA2 GLY 21 1HA GLY 21 0.295 -5.943 -0.605 124 HA3 GLY 21 2HA GLY 21 0.080 -6.346 1.092 125 H PHE 22 H PHE 22 -1.653 -4.940 -0.921 126 HA PHE 22 HA PHE 22 -2.464 -2.784 0.850 127 HB2 PHE 22 1HB PHE 22 -1.958 -2.271 -2.087 128 HB3 PHE 22 2HB PHE 22 -2.561 -1.109 -0.911 129 HD1 PHE 22 HD1 PHE 22 -1.015 -0.631 1.116 130 HD2 PHE 22 HD2 PHE 22 0.303 -2.378 -2.534 131 HE1 PHE 22 HE1 PHE 22 1.293 0.053 1.626 132 HE2 PHE 22 HE2 PHE 22 2.612 -1.698 -2.030 133 HZ PHE 22 HZ PHE 22 3.110 -0.481 0.053 134 H TYR 23 H TYR 23 -4.501 -1.670 -0.303 135 HA TYR 23 HA TYR 23 -6.167 -3.815 -1.437 136 HB2 TYR 23 1HB TYR 23 -6.980 -1.860 0.724 137 HB3 TYR 23 2HB TYR 23 -8.061 -3.000 -0.069 138 HD1 TYR 23 HD1 TYR 23 -6.415 -5.435 -0.160 139 HD2 TYR 23 HD2 TYR 23 -6.878 -2.559 2.942 140 HE1 TYR 23 HE1 TYR 23 -5.835 -7.148 1.506 141 HE2 TYR 23 HE2 TYR 23 -6.298 -4.264 4.617 142 HH TYR 23 HH TYR 23 -5.321 -6.342 4.867 143 H THR 24 H THR 24 -5.483 -0.394 -1.146 144 HA THR 24 HA THR 24 -7.219 0.107 -3.476 145 HB THR 24 HB THR 24 -7.360 2.465 -2.710 146 HG1 THR 24 HG1 THR 24 -5.405 1.756 -1.112 147 HG21 THR 24 3HG2 THR 24 -8.351 1.158 -0.310 148 HG22 THR 24 1HG2 THR 24 -8.756 0.263 -1.774 149 HG23 THR 24 2HG2 THR 24 -9.240 1.951 -1.610 150 H ASN 25 H ASN 25 -6.254 0.789 -5.277 151 HA ASN 25 HA ASN 25 -3.624 0.762 -5.835 152 HB2 ASN 25 1HB ASN 25 -4.168 2.633 -7.561 153 HB3 ASN 25 2HB ASN 25 -5.000 1.085 -7.689 154 HD21 ASN 25 1HD2 ASN 25 -7.111 1.166 -7.910 155 HD22 ASN 25 2HD2 ASN 25 -8.132 2.484 -7.459 156 H SER 26 H SER 26 -5.379 3.589 -4.602 157 HA SER 26 HA SER 26 -3.427 5.505 -4.671 158 HB2 SER 26 1HB SER 26 -5.439 5.010 -2.464 159 HB3 SER 26 2HB SER 26 -4.522 6.502 -2.669 160 HG SER 26 HG SER 26 -6.622 5.469 -4.198 161 H GLN 27 H GLN 27 -3.984 3.208 -2.004 162 HA GLN 27 HA GLN 27 -1.813 3.996 -0.426 163 HB2 GLN 27 1HB GLN 27 -3.484 1.531 -0.620 164 HB3 GLN 27 2HB GLN 27 -2.011 1.472 0.340 165 HG2 GLN 27 1HG GLN 27 -2.826 3.405 1.641 166 HG3 GLN 27 2HG GLN 27 -4.330 3.350 0.723 167 HE21 GLN 27 1HE2 GLN 27 -5.916 2.383 1.744 168 HE22 GLN 27 2HE2 GLN 27 -5.768 1.083 2.872 169 H CYS 28 H CYS 28 -2.055 1.367 -2.810 170 HA CYS 28 HA CYS 28 0.469 0.295 -2.589 171 HB2 CYS 28 1HB CYS 28 -1.143 -0.759 -4.010 172 HB3 CYS 28 2HB CYS 28 -1.265 0.668 -5.032 173 HG CYS 28 HG CYS 28 0.491 -0.091 -6.733 174 H TYR 29 H TYR 29 -0.542 3.076 -4.545 175 HA TYR 29 HA TYR 29 1.991 3.562 -5.702 176 HB2 TYR 29 1HB TYR 29 -0.319 4.458 -6.417 177 HB3 TYR 29 2HB TYR 29 -0.065 5.704 -5.200 178 HD1 TYR 29 HD2 TYR 29 2.604 6.570 -5.417 179 HD2 TYR 29 HD1 TYR 29 0.036 5.256 -8.544 180 HE1 TYR 29 HE2 TYR 29 3.909 7.887 -7.033 181 HE2 TYR 29 HE1 TYR 29 1.334 6.569 -10.170 182 HH TYR 29 HH TYR 29 4.026 7.461 -10.083 183 H SER 30 H SER 30 0.316 5.182 -3.003 184 HA SER 30 HA SER 30 2.087 7.058 -2.235 185 HB2 SER 30 1HB SER 30 -0.057 6.446 -1.058 186 HB3 SER 30 2HB SER 30 0.832 5.158 -0.245 187 HG SER 30 HG SER 30 0.662 7.685 0.466 188 H HIS 31 H HIS 31 2.310 3.629 -1.311 189 HA HIS 31 HA HIS 31 4.815 3.946 0.021 190 HB2 HIS 31 1HB HIS 31 3.591 2.121 0.799 191 HB3 HIS 31 2HB HIS 31 3.152 1.596 -0.824 192 HD1 HIS 31 HD1 HIS 31 5.551 0.995 1.852 193 HD2 HIS 31 HD2 HIS 31 5.376 0.353 -2.249 194 HE1 HIS 31 HE1 HIS 31 7.355 -0.686 1.357 195 H GLN 32 H GLN 32 3.848 2.662 -3.144 196 HA GLN 32 HA GLN 32 6.255 1.748 -4.089 197 HB2 GLN 32 1HB GLN 32 3.847 2.930 -5.366 198 HB3 GLN 32 2HB GLN 32 5.293 2.793 -6.357 199 HG2 GLN 32 1HG GLN 32 5.278 0.332 -5.388 200 HG3 GLN 32 2HG GLN 32 3.557 0.676 -5.225 201 HE21 GLN 32 1HE2 GLN 32 2.907 -0.750 -6.789 202 HE22 GLN 32 2HE2 GLN 32 3.230 -0.521 -8.470 203 H ARG 33 H ARG 33 5.054 5.085 -4.136 204 HA ARG 33 HA ARG 33 7.324 6.155 -5.470 205 HB2 ARG 33 1HB ARG 33 6.388 8.289 -5.043 206 HB3 ARG 33 2HB ARG 33 5.025 7.209 -5.304 207 HG2 ARG 33 1HG ARG 33 4.334 7.325 -3.133 208 HG3 ARG 33 2HG ARG 33 5.958 7.639 -2.518 209 HD2 ARG 33 1HD ARG 33 4.711 9.689 -4.269 210 HD3 ARG 33 2HD ARG 33 4.097 9.528 -2.624 211 HE ARG 33 HE ARG 33 6.920 9.664 -2.607 212 HH11 ARG 33 1HH1 ARG 33 4.092 11.637 -3.085 213 HH12 ARG 33 2HH1 ARG 33 4.863 13.098 -2.565 214 HH21 ARG 33 1HH2 ARG 33 7.947 11.581 -1.920 215 HH22 ARG 33 2HH2 ARG 33 7.056 13.066 -1.903 216 H SER 34 H SER 34 6.639 5.331 -2.187 217 HA SER 34 HA SER 34 8.420 7.022 -0.842 218 HB2 SER 34 1HB SER 34 6.678 5.549 0.222 219 HB3 SER 34 2HB SER 34 7.748 4.177 -0.062 220 HG SER 34 HG SER 34 9.341 5.625 1.121 221 H HIS 35 H HIS 35 8.910 3.785 -2.214 222 HA HIS 35 HA HIS 35 11.395 3.114 -1.421 223 HB2 HIS 35 1HB HIS 35 9.970 2.802 -4.015 224 HB3 HIS 35 2HB HIS 35 11.688 2.419 -3.985 225 HD1 HIS 35 HD1 HIS 35 12.328 0.659 -1.932 226 HD2 HIS 35 HD2 HIS 35 8.409 0.714 -3.311 227 HE1 HIS 35 HE1 HIS 35 11.323 -1.524 -1.190 228 H SER 36 H SER 36 10.758 5.254 -4.202 229 HA SER 36 HA SER 36 13.515 5.940 -4.513 230 HB2 SER 36 1HB SER 36 11.877 5.970 -6.389 231 HB3 SER 36 2HB SER 36 11.081 7.350 -5.632 232 HG SER 36 HG SER 36 12.495 8.524 -6.629 233 H GLY 37 H GLY 37 14.426 6.929 -2.788 234 HA2 GLY 37 1HA GLY 37 14.269 9.613 -2.350 235 HA3 GLY 37 2HA GLY 37 13.044 8.952 -1.277 236 H GLU 38 H GLU 38 13.751 7.323 0.297 237 HA GLU 38 HA GLU 38 16.564 7.730 1.079 238 HB2 GLU 38 1HB GLU 38 14.048 7.836 2.673 239 HB3 GLU 38 2HB GLU 38 15.486 7.186 3.447 240 HG2 GLU 38 1HG GLU 38 15.095 9.932 2.296 241 HG3 GLU 38 2HG GLU 38 15.376 9.489 3.979 242 H LYS 39 H LYS 39 17.173 5.973 2.806 243 HA LYS 39 HA LYS 39 15.993 3.378 2.274 244 HB2 LYS 39 1HB LYS 39 18.095 2.354 1.553 245 HB3 LYS 39 2HB LYS 39 17.594 3.616 0.435 246 HG2 LYS 39 1HG LYS 39 19.166 5.116 1.886 247 HG3 LYS 39 2HG LYS 39 19.884 3.568 2.338 248 HD2 LYS 39 1HD LYS 39 19.399 4.116 -0.547 249 HD3 LYS 39 2HD LYS 39 20.746 4.934 0.247 250 HE2 LYS 39 1HE LYS 39 21.766 3.015 -0.509 251 HE3 LYS 39 2HE LYS 39 21.305 2.539 1.125 252 HZ1 LYS 39 3HZ LYS 39 19.151 1.755 -0.114 253 HZ2 LYS 39 1HZ LYS 39 20.528 0.773 -0.057 254 HZ3 LYS 39 2HZ LYS 39 20.193 1.680 -1.445 255 HA PRO 40 HA PRO 40 17.143 2.731 6.469 256 HB2 PRO 40 1HB PRO 40 17.158 0.017 6.528 257 HB3 PRO 40 2HB PRO 40 15.670 0.968 6.452 258 HG2 PRO 40 1HG PRO 40 17.149 -0.416 4.247 259 HG3 PRO 40 2HG PRO 40 15.404 -0.354 4.558 260 HD2 PRO 40 1HD PRO 40 16.609 1.206 2.702 261 HD3 PRO 40 2HD PRO 40 15.183 1.737 3.615 262 H SER 41 H SER 41 18.875 2.100 7.792 263 HA SER 41 HA SER 41 21.380 1.691 6.345 264 HB2 SER 41 1HB SER 41 20.933 3.507 8.176 265 HB3 SER 41 2HB SER 41 21.218 2.180 9.302 266 HG SER 41 HG SER 41 23.257 1.885 8.333 267 H GLY 42 H GLY 42 19.705 -0.550 6.473 268 HA2 GLY 42 1HA GLY 42 20.313 -2.282 8.630 269 HA3 GLY 42 2HA GLY 42 19.696 -2.772 7.059 270 HA PRO 43 HA PRO 43 23.924 -4.554 7.426 271 HB2 PRO 43 1HB PRO 43 23.271 -6.902 6.230 272 HB3 PRO 43 2HB PRO 43 23.035 -6.605 7.956 273 HG2 PRO 43 1HG PRO 43 21.048 -6.468 5.722 274 HG3 PRO 43 2HG PRO 43 20.864 -7.167 7.341 275 HD2 PRO 43 1HD PRO 43 19.895 -4.724 6.691 276 HD3 PRO 43 2HD PRO 43 20.481 -5.116 8.321 277 H SER 44 H SER 44 25.344 -3.931 5.937 278 HA SER 44 HA SER 44 25.037 -4.631 3.171 279 HB2 SER 44 1HB SER 44 24.604 -1.815 4.090 280 HB3 SER 44 2HB SER 44 25.412 -2.096 2.547 281 HG SER 44 HG SER 44 22.884 -2.016 2.873 282 H SER 45 H SER 45 26.962 -4.475 2.009 283 HA SER 45 HA SER 45 29.326 -4.893 3.311 284 HB2 SER 45 1HB SER 45 28.852 -5.218 0.844 285 HB3 SER 45 2HB SER 45 29.165 -3.495 0.635 286 HG SER 45 HG SER 45 30.996 -4.979 0.308 287 H GLY 46 H GLY 46 30.482 -3.676 4.641 288 HA2 GLY 46 1HA GLY 46 31.840 -1.819 5.157 289 HA3 GLY 46 2HA GLY 46 30.952 -0.870 3.974 Start of MODEL 16 1 H1 GLY 1 H GLY 1 14.949 -13.760 -10.448 2 HA2 GLY 1 1HA GLY 1 12.726 -12.040 -11.328 3 HA3 GLY 1 2HA GLY 1 12.591 -13.747 -10.931 4 H SER 2 H SER 2 10.793 -12.057 -9.845 5 HA SER 2 HA SER 2 11.661 -11.881 -7.034 6 HB2 SER 2 1HB SER 2 9.691 -10.050 -8.425 7 HB3 SER 2 2HB SER 2 10.204 -9.943 -6.741 8 HG SER 2 HG SER 2 12.208 -9.932 -8.667 9 H SER 3 H SER 3 10.724 -13.503 -5.982 10 HA SER 3 HA SER 3 7.868 -14.024 -6.491 11 HB2 SER 3 1HB SER 3 9.922 -16.091 -5.674 12 HB3 SER 3 2HB SER 3 8.230 -16.382 -6.077 13 HG SER 3 HG SER 3 9.615 -16.847 -7.835 14 H GLY 4 H GLY 4 6.572 -13.837 -4.779 15 HA2 GLY 4 1HA GLY 4 7.645 -13.067 -2.239 16 HA3 GLY 4 2HA GLY 4 5.946 -13.292 -2.627 17 H SER 5 H SER 5 7.706 -14.156 -0.324 18 HA SER 5 HA SER 5 8.357 -16.736 -0.102 19 HB2 SER 5 1HB SER 5 6.828 -14.974 1.784 20 HB3 SER 5 2HB SER 5 7.131 -16.657 2.214 21 HG SER 5 HG SER 5 9.201 -14.929 1.367 22 H SER 6 H SER 6 7.333 -18.724 0.369 23 HA SER 6 HA SER 6 5.026 -19.248 -1.175 24 HB2 SER 6 1HB SER 6 6.475 -20.916 0.890 25 HB3 SER 6 2HB SER 6 5.138 -21.522 -0.088 26 HG SER 6 HG SER 6 6.706 -21.995 -1.422 27 H GLY 7 H GLY 7 3.207 -20.665 -0.065 28 HA2 GLY 7 1HA GLY 7 1.566 -20.864 1.587 29 HA3 GLY 7 2HA GLY 7 2.394 -19.631 2.526 30 H SER 8 H SER 8 0.194 -18.823 2.874 31 HA SER 8 HA SER 8 -1.096 -17.572 0.589 32 HB2 SER 8 1HB SER 8 -2.554 -18.660 2.181 33 HB3 SER 8 2HB SER 8 -1.866 -17.729 3.512 34 HG SER 8 HG SER 8 -2.826 -15.903 2.728 35 H GLY 9 H GLY 9 -0.962 -15.476 0.067 36 HA2 GLY 9 1HA GLY 9 -0.626 -13.330 1.812 37 HA3 GLY 9 2HA GLY 9 0.978 -13.808 1.277 38 H GLU 10 H GLU 10 -2.050 -13.853 -0.559 39 HA GLU 10 HA GLU 10 -0.769 -12.110 -2.542 40 HB2 GLU 10 1HB GLU 10 -1.606 -14.332 -3.288 41 HB3 GLU 10 2HB GLU 10 -3.233 -13.834 -2.843 42 HG2 GLU 10 1HG GLU 10 -3.232 -13.415 -5.091 43 HG3 GLU 10 2HG GLU 10 -2.765 -11.841 -4.450 44 H LYS 11 H LYS 11 -1.892 -10.346 -3.449 45 HA LYS 11 HA LYS 11 -4.357 -9.493 -2.136 46 HB2 LYS 11 1HB LYS 11 -1.714 -8.127 -1.927 47 HB3 LYS 11 2HB LYS 11 -3.153 -7.126 -2.069 48 HG2 LYS 11 1HG LYS 11 -4.022 -7.870 -0.045 49 HG3 LYS 11 2HG LYS 11 -2.991 -9.303 -0.021 50 HD2 LYS 11 1HD LYS 11 -1.023 -7.817 0.263 51 HD3 LYS 11 2HD LYS 11 -2.121 -6.439 0.367 52 HE2 LYS 11 1HE LYS 11 -1.814 -6.913 2.592 53 HE3 LYS 11 2HE LYS 11 -3.250 -7.876 2.246 54 HZ1 LYS 11 3HZ LYS 11 -0.830 -8.763 3.262 55 HZ2 LYS 11 1HZ LYS 11 -0.929 -9.382 1.691 56 HZ3 LYS 11 2HZ LYS 11 -2.160 -9.703 2.805 57 HA PRO 12 HA PRO 12 -5.463 -7.939 -6.088 58 HB2 PRO 12 1HB PRO 12 -6.871 -5.704 -5.461 59 HB3 PRO 12 2HB PRO 12 -7.486 -7.337 -5.179 60 HG2 PRO 12 1HG PRO 12 -6.204 -5.437 -3.253 61 HG3 PRO 12 2HG PRO 12 -7.624 -6.475 -3.024 62 HD2 PRO 12 1HD PRO 12 -5.172 -7.131 -2.080 63 HD3 PRO 12 2HD PRO 12 -6.345 -8.349 -2.620 64 H PHE 13 H PHE 13 -3.763 -5.802 -3.909 65 HA PHE 13 HA PHE 13 -2.437 -4.563 -6.192 66 HB2 PHE 13 1HB PHE 13 -3.790 -2.974 -4.002 67 HB3 PHE 13 2HB PHE 13 -2.706 -2.295 -5.212 68 HD1 PHE 13 HD2 PHE 13 -5.931 -4.068 -4.782 69 HD2 PHE 13 HD1 PHE 13 -3.504 -1.651 -7.310 70 HE1 PHE 13 HE2 PHE 13 -7.837 -3.752 -6.305 71 HE2 PHE 13 HE1 PHE 13 -5.407 -1.330 -8.836 72 HZ PHE 13 HZ PHE 13 -7.577 -2.382 -8.335 73 H LYS 14 H LYS 14 -0.360 -4.959 -5.843 74 HA LYS 14 HA LYS 14 0.728 -4.480 -3.153 75 HB2 LYS 14 1HB LYS 14 2.314 -6.387 -3.580 76 HB3 LYS 14 2HB LYS 14 0.637 -6.856 -3.333 77 HG2 LYS 14 1HG LYS 14 0.353 -7.063 -5.763 78 HG3 LYS 14 2HG LYS 14 2.053 -6.640 -5.983 79 HD2 LYS 14 1HD LYS 14 1.338 -8.906 -4.177 80 HD3 LYS 14 2HD LYS 14 1.292 -9.151 -5.925 81 HE2 LYS 14 1HE LYS 14 3.572 -8.774 -6.162 82 HE3 LYS 14 2HE LYS 14 3.688 -7.908 -4.631 83 HZ1 LYS 14 3HZ LYS 14 2.832 -10.647 -4.370 84 HZ2 LYS 14 1HZ LYS 14 4.009 -9.794 -3.505 85 HZ3 LYS 14 2HZ LYS 14 4.392 -10.479 -5.003 86 H CYS 15 H CYS 15 3.038 -4.001 -3.127 87 HA CYS 15 HA CYS 15 3.736 -2.122 -5.140 88 HB2 CYS 15 1HB CYS 15 4.435 -1.926 -2.766 89 HB3 CYS 15 2HB CYS 15 5.489 -3.319 -2.984 90 H GLU 16 H GLU 16 5.552 -2.168 -6.556 91 HA GLU 16 HA GLU 16 6.044 -4.833 -7.637 92 HB2 GLU 16 1HB GLU 16 6.448 -3.838 -9.660 93 HB3 GLU 16 2HB GLU 16 5.393 -2.627 -8.947 94 HG2 GLU 16 1HG GLU 16 7.509 -1.470 -8.155 95 HG3 GLU 16 2HG GLU 16 8.375 -2.554 -9.243 96 H GLU 17 H GLU 17 7.666 -2.279 -5.946 97 HA GLU 17 HA GLU 17 10.332 -3.063 -6.555 98 HB2 GLU 17 1HB GLU 17 9.108 -1.344 -4.411 99 HB3 GLU 17 2HB GLU 17 10.828 -1.707 -4.420 100 HG2 GLU 17 1HG GLU 17 9.322 -0.377 -6.661 101 HG3 GLU 17 2HG GLU 17 10.309 0.452 -5.458 102 H CYS 18 H CYS 18 8.504 -3.353 -3.502 103 HA CYS 18 HA CYS 18 10.218 -5.623 -2.775 104 HB2 CYS 18 1HB CYS 18 9.203 -5.253 -0.474 105 HB3 CYS 18 2HB CYS 18 10.252 -3.971 -1.072 106 H GLY 19 H GLY 19 6.792 -4.636 -2.625 107 HA2 GLY 19 1HA GLY 19 5.246 -6.288 -3.715 108 HA3 GLY 19 2HA GLY 19 6.083 -7.501 -2.759 109 H LYS 20 H LYS 20 5.561 -4.450 -1.273 110 HA LYS 20 HA LYS 20 4.312 -5.340 0.975 111 HB2 LYS 20 1HB LYS 20 5.098 -2.929 0.191 112 HB3 LYS 20 2HB LYS 20 3.380 -2.729 -0.127 113 HG2 LYS 20 1HG LYS 20 3.379 -2.005 2.005 114 HG3 LYS 20 2HG LYS 20 3.244 -3.731 2.349 115 HD2 LYS 20 1HD LYS 20 5.981 -2.663 2.020 116 HD3 LYS 20 2HD LYS 20 5.104 -2.144 3.460 117 HE2 LYS 20 1HE LYS 20 5.056 -5.032 2.772 118 HE3 LYS 20 2HE LYS 20 6.559 -4.366 3.407 119 HZ1 LYS 20 3HZ LYS 20 4.035 -3.795 4.798 120 HZ2 LYS 20 1HZ LYS 20 5.605 -3.889 5.420 121 HZ3 LYS 20 2HZ LYS 20 4.770 -5.303 5.013 122 H GLY 21 H GLY 21 2.088 -5.168 1.741 123 HA2 GLY 21 1HA GLY 21 0.215 -6.026 -0.355 124 HA3 GLY 21 2HA GLY 21 0.051 -6.353 1.364 125 H PHE 22 H PHE 22 -1.643 -4.984 -0.809 126 HA PHE 22 HA PHE 22 -2.594 -2.864 0.940 127 HB2 PHE 22 1HB PHE 22 -1.884 -2.327 -1.952 128 HB3 PHE 22 2HB PHE 22 -2.646 -1.188 -0.847 129 HD1 PHE 22 HD1 PHE 22 -1.283 -0.827 1.411 130 HD2 PHE 22 HD2 PHE 22 0.373 -2.141 -2.283 131 HE1 PHE 22 HE1 PHE 22 0.934 -0.038 2.129 132 HE2 PHE 22 HE2 PHE 22 2.593 -1.356 -1.571 133 HZ PHE 22 HZ PHE 22 2.876 -0.304 0.638 134 H TYR 23 H TYR 23 -4.616 -1.811 -0.190 135 HA TYR 23 HA TYR 23 -6.169 -3.958 -1.475 136 HB2 TYR 23 1HB TYR 23 -7.165 -2.017 0.621 137 HB3 TYR 23 2HB TYR 23 -8.136 -3.238 -0.193 138 HD1 TYR 23 HD1 TYR 23 -6.303 -5.558 -0.138 139 HD2 TYR 23 HD2 TYR 23 -7.183 -2.671 2.861 140 HE1 TYR 23 HE1 TYR 23 -5.711 -7.193 1.601 141 HE2 TYR 23 HE2 TYR 23 -6.592 -4.299 4.608 142 HH TYR 23 HH TYR 23 -6.515 -7.370 4.309 143 H THR 24 H THR 24 -5.483 -0.553 -1.188 144 HA THR 24 HA THR 24 -7.161 -0.049 -3.559 145 HB THR 24 HB THR 24 -7.325 2.306 -2.814 146 HG1 THR 24 HG1 THR 24 -5.810 2.807 -1.401 147 HG21 THR 24 3HG2 THR 24 -8.252 0.551 -0.561 148 HG22 THR 24 1HG2 THR 24 -8.975 0.442 -2.165 149 HG23 THR 24 2HG2 THR 24 -9.048 1.957 -1.266 150 H ASN 25 H ASN 25 -6.221 0.843 -5.310 151 HA ASN 25 HA ASN 25 -3.541 0.726 -5.806 152 HB2 ASN 25 1HB ASN 25 -5.466 1.177 -7.440 153 HB3 ASN 25 2HB ASN 25 -5.258 2.878 -7.033 154 HD21 ASN 25 1HD2 ASN 25 -4.113 3.923 -8.472 155 HD22 ASN 25 2HD2 ASN 25 -2.779 3.295 -9.374 156 H SER 26 H SER 26 -5.331 3.646 -4.828 157 HA SER 26 HA SER 26 -3.355 5.512 -4.787 158 HB2 SER 26 1HB SER 26 -5.627 5.066 -2.855 159 HB3 SER 26 2HB SER 26 -4.556 6.461 -2.726 160 HG SER 26 HG SER 26 -5.522 6.029 -5.257 161 H GLN 27 H GLN 27 -4.076 3.236 -2.147 162 HA GLN 27 HA GLN 27 -2.022 4.064 -0.427 163 HB2 GLN 27 1HB GLN 27 -3.684 1.602 -0.696 164 HB3 GLN 27 2HB GLN 27 -2.270 1.541 0.347 165 HG2 GLN 27 1HG GLN 27 -3.125 3.399 1.652 166 HG3 GLN 27 2HG GLN 27 -4.521 3.524 0.584 167 HE21 GLN 27 1HE2 GLN 27 -2.830 0.964 2.377 168 HE22 GLN 27 2HE2 GLN 27 -4.255 0.266 3.058 169 H CYS 28 H CYS 28 -2.101 1.438 -2.821 170 HA CYS 28 HA CYS 28 0.438 0.405 -2.395 171 HB2 CYS 28 1HB CYS 28 -1.062 -0.783 -3.818 172 HB3 CYS 28 2HB CYS 28 -1.227 0.591 -4.905 173 HG CYS 28 HG CYS 28 0.225 -1.162 -6.369 174 H TYR 29 H TYR 29 -0.572 3.118 -4.426 175 HA TYR 29 HA TYR 29 1.999 3.596 -5.540 176 HB2 TYR 29 1HB TYR 29 -0.206 4.371 -6.500 177 HB3 TYR 29 2HB TYR 29 -0.241 5.602 -5.242 178 HD1 TYR 29 HD2 TYR 29 2.160 6.907 -5.091 179 HD2 TYR 29 HD1 TYR 29 0.491 5.102 -8.564 180 HE1 TYR 29 HE2 TYR 29 3.508 8.399 -6.508 181 HE2 TYR 29 HE1 TYR 29 1.835 6.588 -9.990 182 HH TYR 29 HH TYR 29 3.372 9.327 -8.857 183 H SER 30 H SER 30 0.177 5.138 -2.905 184 HA SER 30 HA SER 30 1.836 7.165 -2.178 185 HB2 SER 30 1HB SER 30 -0.360 6.335 -1.077 186 HB3 SER 30 2HB SER 30 0.699 5.363 -0.054 187 HG SER 30 HG SER 30 0.161 7.477 0.797 188 H HIS 31 H HIS 31 2.305 3.736 -1.571 189 HA HIS 31 HA HIS 31 4.692 4.198 0.008 190 HB2 HIS 31 1HB HIS 31 3.641 2.320 0.823 191 HB3 HIS 31 2HB HIS 31 3.071 1.818 -0.766 192 HD1 HIS 31 HD1 HIS 31 5.819 1.343 1.645 193 HD2 HIS 31 HD2 HIS 31 5.030 0.428 -2.330 194 HE1 HIS 31 HE1 HIS 31 7.538 -0.374 0.997 195 H GLN 32 H GLN 32 3.870 2.814 -3.157 196 HA GLN 32 HA GLN 32 6.275 1.940 -4.062 197 HB2 GLN 32 1HB GLN 32 3.956 3.243 -5.389 198 HB3 GLN 32 2HB GLN 32 5.435 3.087 -6.327 199 HG2 GLN 32 1HG GLN 32 5.313 0.601 -5.468 200 HG3 GLN 32 2HG GLN 32 3.601 0.988 -5.308 201 HE21 GLN 32 1HE2 GLN 32 2.952 -0.382 -6.932 202 HE22 GLN 32 2HE2 GLN 32 3.288 -0.087 -8.601 203 H ARG 33 H ARG 33 5.191 5.306 -3.939 204 HA ARG 33 HA ARG 33 7.408 6.439 -5.249 205 HB2 ARG 33 1HB ARG 33 6.598 8.522 -4.541 206 HB3 ARG 33 2HB ARG 33 5.157 7.521 -4.664 207 HG2 ARG 33 1HG ARG 33 5.639 7.081 -2.120 208 HG3 ARG 33 2HG ARG 33 6.513 8.608 -2.254 209 HD2 ARG 33 1HD ARG 33 3.775 8.457 -3.399 210 HD3 ARG 33 2HD ARG 33 3.936 8.512 -1.644 211 HE ARG 33 HE ARG 33 5.504 10.534 -2.866 212 HH11 ARG 33 1HH1 ARG 33 2.222 9.698 -2.060 213 HH12 ARG 33 2HH1 ARG 33 1.692 11.344 -1.949 214 HH21 ARG 33 1HH2 ARG 33 4.819 12.705 -2.724 215 HH22 ARG 33 2HH2 ARG 33 3.170 13.053 -2.328 216 H SER 34 H SER 34 6.854 5.519 -1.909 217 HA SER 34 HA SER 34 8.848 6.851 -0.580 218 HB2 SER 34 1HB SER 34 8.682 5.230 1.106 219 HB3 SER 34 2HB SER 34 7.119 5.127 0.295 220 HG SER 34 HG SER 34 8.299 3.087 0.726 221 H HIS 35 H HIS 35 9.141 3.920 -2.536 222 HA HIS 35 HA HIS 35 11.798 3.289 -1.981 223 HB2 HIS 35 1HB HIS 35 10.054 2.837 -4.390 224 HB3 HIS 35 2HB HIS 35 11.735 2.310 -4.375 225 HD1 HIS 35 HD1 HIS 35 12.319 0.667 -2.238 226 HD2 HIS 35 HD2 HIS 35 8.338 1.006 -3.377 227 HE1 HIS 35 HE1 HIS 35 11.162 -1.329 -1.239 228 H SER 36 H SER 36 13.675 4.225 -2.453 229 HA SER 36 HA SER 36 13.691 6.660 -4.016 230 HB2 SER 36 1HB SER 36 15.993 6.907 -3.245 231 HB3 SER 36 2HB SER 36 14.947 6.499 -1.885 232 HG SER 36 HG SER 36 17.114 5.243 -2.647 233 H GLY 37 H GLY 37 13.033 4.611 -5.676 234 HA2 GLY 37 1HA GLY 37 15.474 3.780 -7.061 235 HA3 GLY 37 2HA GLY 37 13.849 3.194 -7.383 236 H GLU 38 H GLU 38 12.339 5.176 -8.046 237 HA GLU 38 HA GLU 38 13.252 5.997 -10.584 238 HB2 GLU 38 1HB GLU 38 10.830 5.701 -9.679 239 HB3 GLU 38 2HB GLU 38 11.000 7.369 -9.153 240 HG2 GLU 38 1HG GLU 38 11.560 6.582 -11.984 241 HG3 GLU 38 2HG GLU 38 9.916 6.894 -11.429 242 H LYS 39 H LYS 39 14.668 7.533 -11.040 243 HA LYS 39 HA LYS 39 14.926 9.814 -9.195 244 HB2 LYS 39 1HB LYS 39 16.957 8.659 -11.115 245 HB3 LYS 39 2HB LYS 39 17.215 10.070 -10.096 246 HG2 LYS 39 1HG LYS 39 16.484 7.410 -8.925 247 HG3 LYS 39 2HG LYS 39 18.155 7.827 -9.312 248 HD2 LYS 39 1HD LYS 39 16.508 9.716 -7.688 249 HD3 LYS 39 2HD LYS 39 17.195 8.283 -6.919 250 HE2 LYS 39 1HE LYS 39 19.390 8.966 -7.345 251 HE3 LYS 39 2HE LYS 39 18.887 10.125 -8.575 252 HZ1 LYS 39 3HZ LYS 39 19.442 10.700 -5.976 253 HZ2 LYS 39 1HZ LYS 39 17.751 10.675 -6.004 254 HZ3 LYS 39 2HZ LYS 39 18.599 11.699 -7.049 255 HA PRO 40 HA PRO 40 13.526 12.543 -12.345 256 HB2 PRO 40 1HB PRO 40 14.794 14.820 -11.585 257 HB3 PRO 40 2HB PRO 40 13.413 14.150 -10.707 258 HG2 PRO 40 1HG PRO 40 16.336 13.923 -10.100 259 HG3 PRO 40 2HG PRO 40 14.984 14.229 -8.994 260 HD2 PRO 40 1HD PRO 40 16.120 11.786 -9.264 261 HD3 PRO 40 2HD PRO 40 14.398 12.002 -8.893 262 H SER 41 H SER 41 14.555 11.597 -14.162 263 HA SER 41 HA SER 41 17.207 11.764 -14.891 264 HB2 SER 41 1HB SER 41 16.523 11.277 -17.117 265 HB3 SER 41 2HB SER 41 15.327 10.512 -16.071 266 HG SER 41 HG SER 41 14.299 12.796 -16.425 267 H GLY 42 H GLY 42 18.317 13.136 -16.421 268 HA2 GLY 42 1HA GLY 42 17.827 15.351 -17.701 269 HA3 GLY 42 2HA GLY 42 17.536 15.945 -16.073 270 HA PRO 43 HA PRO 43 21.789 16.814 -15.506 271 HB2 PRO 43 1HB PRO 43 22.251 16.036 -12.946 272 HB3 PRO 43 2HB PRO 43 21.294 17.464 -13.359 273 HG2 PRO 43 1HG PRO 43 20.370 14.719 -12.601 274 HG3 PRO 43 2HG PRO 43 19.745 16.294 -12.078 275 HD2 PRO 43 1HD PRO 43 18.543 14.815 -14.002 276 HD3 PRO 43 2HD PRO 43 18.521 16.590 -14.009 277 H SER 44 H SER 44 23.934 15.894 -14.917 278 HA SER 44 HA SER 44 24.464 13.530 -16.257 279 HB2 SER 44 1HB SER 44 26.105 15.359 -15.550 280 HB3 SER 44 2HB SER 44 26.173 14.548 -13.985 281 HG SER 44 HG SER 44 26.692 12.605 -15.311 282 H SER 45 H SER 45 25.176 11.456 -15.497 283 HA SER 45 HA SER 45 23.431 10.196 -13.757 284 HB2 SER 45 1HB SER 45 24.815 9.007 -15.422 285 HB3 SER 45 2HB SER 45 26.250 9.331 -14.450 286 HG SER 45 HG SER 45 25.008 7.219 -14.219 287 H GLY 46 H GLY 46 26.829 11.079 -13.108 288 HA2 GLY 46 1HA GLY 46 27.159 10.287 -10.546 289 HA3 GLY 46 2HA GLY 46 27.790 11.818 -11.136 Start of MODEL 17 1 H1 GLY 1 H GLY 1 7.385 -17.043 -5.523 2 HA2 GLY 1 1HA GLY 1 9.947 -16.702 -5.302 3 HA3 GLY 1 2HA GLY 1 9.452 -15.192 -4.551 4 H SER 2 H SER 2 11.009 -17.014 -3.190 5 HA SER 2 HA SER 2 9.765 -18.933 -1.650 6 HB2 SER 2 1HB SER 2 11.529 -18.421 0.075 7 HB3 SER 2 2HB SER 2 12.154 -18.684 -1.553 8 HG SER 2 HG SER 2 12.755 -16.654 -1.664 9 H SER 3 H SER 3 9.284 -18.800 0.728 10 HA SER 3 HA SER 3 7.751 -16.348 1.303 11 HB2 SER 3 1HB SER 3 7.140 -19.228 1.981 12 HB3 SER 3 2HB SER 3 6.294 -17.867 2.718 13 HG SER 3 HG SER 3 6.416 -18.479 -0.053 14 H GLY 4 H GLY 4 8.893 -15.187 2.722 15 HA2 GLY 4 1HA GLY 4 9.993 -16.606 5.070 16 HA3 GLY 4 2HA GLY 4 10.837 -15.271 4.298 17 H SER 5 H SER 5 7.503 -15.845 5.434 18 HA SER 5 HA SER 5 7.723 -13.776 7.418 19 HB2 SER 5 1HB SER 5 5.814 -13.317 5.115 20 HB3 SER 5 2HB SER 5 6.076 -12.260 6.502 21 HG SER 5 HG SER 5 7.960 -12.898 4.476 22 H SER 6 H SER 6 5.601 -13.444 8.555 23 HA SER 6 HA SER 6 4.475 -15.983 9.181 24 HB2 SER 6 1HB SER 6 3.228 -14.843 10.864 25 HB3 SER 6 2HB SER 6 4.794 -14.036 10.783 26 HG SER 6 HG SER 6 2.277 -13.102 10.118 27 H GLY 7 H GLY 7 3.286 -13.116 7.470 28 HA2 GLY 7 1HA GLY 7 0.877 -14.636 6.713 29 HA3 GLY 7 2HA GLY 7 1.013 -12.884 6.695 30 H SER 8 H SER 8 2.172 -11.869 5.004 31 HA SER 8 HA SER 8 2.734 -11.552 2.822 32 HB2 SER 8 1HB SER 8 4.668 -12.950 3.457 33 HB3 SER 8 2HB SER 8 3.756 -14.396 3.027 34 HG SER 8 HG SER 8 5.116 -13.727 1.323 35 H GLY 9 H GLY 9 0.093 -12.191 3.222 36 HA2 GLY 9 1HA GLY 9 -0.695 -14.294 1.397 37 HA3 GLY 9 2HA GLY 9 -1.768 -13.219 2.279 38 H GLU 10 H GLU 10 -1.247 -14.111 -0.682 39 HA GLU 10 HA GLU 10 -0.546 -11.998 -2.278 40 HB2 GLU 10 1HB GLU 10 -1.173 -14.275 -3.071 41 HB3 GLU 10 2HB GLU 10 -2.862 -13.869 -2.802 42 HG2 GLU 10 1HG GLU 10 -2.609 -13.502 -5.061 43 HG3 GLU 10 2HG GLU 10 -2.402 -11.887 -4.386 44 H LYS 11 H LYS 11 -1.607 -10.253 -3.222 45 HA LYS 11 HA LYS 11 -4.252 -9.554 -2.173 46 HB2 LYS 11 1HB LYS 11 -1.716 -8.016 -1.823 47 HB3 LYS 11 2HB LYS 11 -3.211 -7.122 -2.065 48 HG2 LYS 11 1HG LYS 11 -4.124 -7.847 -0.072 49 HG3 LYS 11 2HG LYS 11 -3.072 -9.262 0.014 50 HD2 LYS 11 1HD LYS 11 -1.150 -7.782 0.432 51 HD3 LYS 11 2HD LYS 11 -2.232 -6.387 0.393 52 HE2 LYS 11 1HE LYS 11 -3.524 -7.540 2.258 53 HE3 LYS 11 2HE LYS 11 -2.144 -8.629 2.396 54 HZ1 LYS 11 3HZ LYS 11 -2.385 -6.307 3.716 55 HZ2 LYS 11 1HZ LYS 11 -1.464 -5.822 2.382 56 HZ3 LYS 11 2HZ LYS 11 -0.910 -7.065 3.385 57 HA PRO 12 HA PRO 12 -5.135 -8.193 -6.250 58 HB2 PRO 12 1HB PRO 12 -6.790 -6.090 -5.794 59 HB3 PRO 12 2HB PRO 12 -7.276 -7.770 -5.533 60 HG2 PRO 12 1HG PRO 12 -6.348 -5.735 -3.543 61 HG3 PRO 12 2HG PRO 12 -7.682 -6.897 -3.416 62 HD2 PRO 12 1HD PRO 12 -5.273 -7.312 -2.250 63 HD3 PRO 12 2HD PRO 12 -6.278 -8.640 -2.864 64 H PHE 13 H PHE 13 -3.686 -5.997 -3.998 65 HA PHE 13 HA PHE 13 -2.395 -4.595 -6.202 66 HB2 PHE 13 1HB PHE 13 -3.937 -3.181 -4.018 67 HB3 PHE 13 2HB PHE 13 -2.839 -2.381 -5.138 68 HD1 PHE 13 HD2 PHE 13 -5.918 -4.453 -5.017 69 HD2 PHE 13 HD1 PHE 13 -3.607 -1.615 -7.190 70 HE1 PHE 13 HE2 PHE 13 -7.760 -4.191 -6.627 71 HE2 PHE 13 HE1 PHE 13 -5.446 -1.347 -8.803 72 HZ PHE 13 HZ PHE 13 -7.525 -2.637 -8.524 73 H LYS 14 H LYS 14 -0.327 -5.012 -5.779 74 HA LYS 14 HA LYS 14 0.681 -4.410 -3.082 75 HB2 LYS 14 1HB LYS 14 2.360 -6.315 -3.534 76 HB3 LYS 14 2HB LYS 14 0.727 -6.746 -3.043 77 HG2 LYS 14 1HG LYS 14 0.161 -7.533 -5.135 78 HG3 LYS 14 2HG LYS 14 1.409 -6.582 -5.945 79 HD2 LYS 14 1HD LYS 14 3.125 -8.022 -4.872 80 HD3 LYS 14 2HD LYS 14 1.826 -9.016 -4.209 81 HE2 LYS 14 1HE LYS 14 1.050 -9.488 -6.495 82 HE3 LYS 14 2HE LYS 14 2.384 -8.529 -7.134 83 HZ1 LYS 14 3HZ LYS 14 3.867 -10.115 -5.849 84 HZ2 LYS 14 1HZ LYS 14 3.113 -10.728 -7.234 85 HZ3 LYS 14 2HZ LYS 14 2.508 -11.112 -5.703 86 H CYS 15 H CYS 15 3.038 -3.998 -3.044 87 HA CYS 15 HA CYS 15 3.751 -2.129 -5.060 88 HB2 CYS 15 1HB CYS 15 4.460 -1.977 -2.670 89 HB3 CYS 15 2HB CYS 15 5.531 -3.349 -2.940 90 H GLU 16 H GLU 16 5.444 -2.210 -6.569 91 HA GLU 16 HA GLU 16 5.953 -4.887 -7.599 92 HB2 GLU 16 1HB GLU 16 6.286 -3.927 -9.651 93 HB3 GLU 16 2HB GLU 16 5.240 -2.713 -8.930 94 HG2 GLU 16 1HG GLU 16 7.129 -1.323 -8.402 95 HG3 GLU 16 2HG GLU 16 8.244 -2.568 -8.963 96 H GLU 17 H GLU 17 7.562 -2.374 -5.889 97 HA GLU 17 HA GLU 17 10.233 -3.102 -6.600 98 HB2 GLU 17 1HB GLU 17 9.045 -1.388 -4.432 99 HB3 GLU 17 2HB GLU 17 10.768 -1.730 -4.486 100 HG2 GLU 17 1HG GLU 17 9.147 -0.353 -6.613 101 HG3 GLU 17 2HG GLU 17 10.309 0.396 -5.520 102 H CYS 18 H CYS 18 8.507 -3.379 -3.487 103 HA CYS 18 HA CYS 18 10.258 -5.627 -2.793 104 HB2 CYS 18 1HB CYS 18 9.294 -5.265 -0.474 105 HB3 CYS 18 2HB CYS 18 10.290 -3.956 -1.103 106 H GLY 19 H GLY 19 6.820 -4.697 -2.611 107 HA2 GLY 19 1HA GLY 19 5.311 -6.415 -3.675 108 HA3 GLY 19 2HA GLY 19 6.155 -7.575 -2.660 109 H LYS 20 H LYS 20 5.542 -4.456 -1.339 110 HA LYS 20 HA LYS 20 4.280 -5.288 0.939 111 HB2 LYS 20 1HB LYS 20 5.071 -2.901 0.085 112 HB3 LYS 20 2HB LYS 20 3.356 -2.718 -0.261 113 HG2 LYS 20 1HG LYS 20 3.393 -1.893 1.850 114 HG3 LYS 20 2HG LYS 20 3.135 -3.599 2.225 115 HD2 LYS 20 1HD LYS 20 5.938 -2.654 1.965 116 HD3 LYS 20 2HD LYS 20 5.037 -2.155 3.398 117 HE2 LYS 20 1HE LYS 20 5.547 -4.973 2.456 118 HE3 LYS 20 2HE LYS 20 6.223 -4.192 3.884 119 HZ1 LYS 20 3HZ LYS 20 4.509 -5.047 4.980 120 HZ2 LYS 20 1HZ LYS 20 3.711 -5.503 3.560 121 HZ3 LYS 20 2HZ LYS 20 3.516 -3.940 4.174 122 H GLY 21 H GLY 21 2.028 -5.030 1.657 123 HA2 GLY 21 1HA GLY 21 0.190 -5.955 -0.450 124 HA3 GLY 21 2HA GLY 21 0.013 -6.281 1.268 125 H PHE 22 H PHE 22 -1.701 -4.950 -0.889 126 HA PHE 22 HA PHE 22 -2.669 -2.829 0.840 127 HB2 PHE 22 1HB PHE 22 -1.933 -2.277 -2.042 128 HB3 PHE 22 2HB PHE 22 -2.713 -1.147 -0.941 129 HD1 PHE 22 HD1 PHE 22 -1.392 -0.706 1.295 130 HD2 PHE 22 HD2 PHE 22 0.343 -2.155 -2.312 131 HE1 PHE 22 HE1 PHE 22 0.813 0.094 2.038 132 HE2 PHE 22 HE2 PHE 22 2.551 -1.358 -1.574 133 HZ PHE 22 HZ PHE 22 2.788 -0.233 0.604 134 H TYR 23 H TYR 23 -4.707 -1.813 -0.234 135 HA TYR 23 HA TYR 23 -6.230 -3.968 -1.547 136 HB2 TYR 23 1HB TYR 23 -7.251 -1.990 0.502 137 HB3 TYR 23 2HB TYR 23 -8.212 -3.226 -0.302 138 HD1 TYR 23 HD1 TYR 23 -6.596 -5.606 -0.169 139 HD2 TYR 23 HD2 TYR 23 -7.077 -2.538 2.740 140 HE1 TYR 23 HE1 TYR 23 -6.024 -7.208 1.606 141 HE2 TYR 23 HE2 TYR 23 -6.505 -4.132 4.523 142 HH TYR 23 HH TYR 23 -5.522 -6.189 4.909 143 H THR 24 H THR 24 -5.514 -0.570 -1.341 144 HA THR 24 HA THR 24 -7.171 -0.108 -3.736 145 HB THR 24 HB THR 24 -7.343 2.265 -3.034 146 HG1 THR 24 HG1 THR 24 -6.737 2.760 -0.863 147 HG21 THR 24 3HG2 THR 24 -8.921 1.884 -1.148 148 HG22 THR 24 1HG2 THR 24 -8.358 0.216 -1.061 149 HG23 THR 24 2HG2 THR 24 -9.182 0.795 -2.509 150 H ASN 25 H ASN 25 -6.309 1.153 -5.389 151 HA ASN 25 HA ASN 25 -3.560 0.924 -5.856 152 HB2 ASN 25 1HB ASN 25 -5.559 1.347 -7.496 153 HB3 ASN 25 2HB ASN 25 -5.188 3.045 -7.213 154 HD21 ASN 25 1HD2 ASN 25 -4.381 0.244 -8.918 155 HD22 ASN 25 2HD2 ASN 25 -2.959 0.836 -9.702 156 H SER 26 H SER 26 -5.489 3.722 -4.828 157 HA SER 26 HA SER 26 -3.590 5.699 -4.841 158 HB2 SER 26 1HB SER 26 -4.873 6.786 -3.055 159 HB3 SER 26 2HB SER 26 -5.956 6.069 -4.249 160 HG SER 26 HG SER 26 -5.258 5.006 -1.712 161 H GLN 27 H GLN 27 -4.107 3.221 -2.372 162 HA GLN 27 HA GLN 27 -2.136 4.215 -0.578 163 HB2 GLN 27 1HB GLN 27 -3.716 1.694 -0.825 164 HB3 GLN 27 2HB GLN 27 -2.308 1.701 0.228 165 HG2 GLN 27 1HG GLN 27 -4.278 3.901 0.515 166 HG3 GLN 27 2HG GLN 27 -4.717 2.301 1.111 167 HE21 GLN 27 1HE2 GLN 27 -2.692 5.064 1.540 168 HE22 GLN 27 2HE2 GLN 27 -2.023 4.603 3.064 169 H CYS 28 H CYS 28 -2.141 1.390 -2.757 170 HA CYS 28 HA CYS 28 0.375 0.438 -2.403 171 HB2 CYS 28 1HB CYS 28 -1.016 -0.714 -3.926 172 HB3 CYS 28 2HB CYS 28 -1.248 0.716 -4.924 173 HG CYS 28 HG CYS 28 0.728 -1.683 -5.528 174 H TYR 29 H TYR 29 -0.542 3.313 -4.212 175 HA TYR 29 HA TYR 29 2.062 3.797 -5.279 176 HB2 TYR 29 1HB TYR 29 -0.169 4.664 -6.182 177 HB3 TYR 29 2HB TYR 29 -0.093 5.872 -4.905 178 HD1 TYR 29 HD2 TYR 29 2.489 6.913 -4.809 179 HD2 TYR 29 HD1 TYR 29 0.418 5.493 -8.243 180 HE1 TYR 29 HE2 TYR 29 3.892 8.341 -6.238 181 HE2 TYR 29 HE1 TYR 29 1.815 6.917 -9.682 182 HH TYR 29 HH TYR 29 4.510 8.029 -9.109 183 H SER 30 H SER 30 0.198 5.212 -2.602 184 HA SER 30 HA SER 30 1.840 7.170 -1.704 185 HB2 SER 30 1HB SER 30 0.833 6.965 0.406 186 HB3 SER 30 2HB SER 30 -0.357 6.251 -0.683 187 HG SER 30 HG SER 30 -0.072 4.873 1.050 188 H HIS 31 H HIS 31 2.323 3.707 -1.312 189 HA HIS 31 HA HIS 31 4.723 4.101 0.274 190 HB2 HIS 31 1HB HIS 31 3.672 2.203 1.038 191 HB3 HIS 31 2HB HIS 31 3.079 1.757 -0.559 192 HD1 HIS 31 HD1 HIS 31 5.841 1.171 1.805 193 HD2 HIS 31 HD2 HIS 31 5.024 0.426 -2.199 194 HE1 HIS 31 HE1 HIS 31 7.545 -0.528 1.077 195 H GLN 32 H GLN 32 3.895 2.647 -2.871 196 HA GLN 32 HA GLN 32 6.300 1.878 -3.822 197 HB2 GLN 32 1HB GLN 32 3.922 3.105 -5.115 198 HB3 GLN 32 2HB GLN 32 5.391 3.000 -6.076 199 HG2 GLN 32 1HG GLN 32 5.473 0.602 -5.739 200 HG3 GLN 32 2HG GLN 32 4.046 0.682 -4.707 201 HE21 GLN 32 1HE2 GLN 32 4.030 -0.981 -6.832 202 HE22 GLN 32 2HE2 GLN 32 2.974 -0.383 -8.061 203 H ARG 33 H ARG 33 5.070 5.215 -3.966 204 HA ARG 33 HA ARG 33 7.117 6.471 -5.267 205 HB2 ARG 33 1HB ARG 33 6.384 8.482 -4.320 206 HB3 ARG 33 2HB ARG 33 4.958 7.453 -4.270 207 HG2 ARG 33 1HG ARG 33 5.543 6.913 -1.895 208 HG3 ARG 33 2HG ARG 33 6.792 8.156 -1.994 209 HD2 ARG 33 1HD ARG 33 5.010 9.781 -2.649 210 HD3 ARG 33 2HD ARG 33 3.819 8.523 -2.321 211 HE ARG 33 HE ARG 33 5.582 9.017 -0.113 212 HH11 ARG 33 1HH1 ARG 33 2.669 10.045 -1.718 213 HH12 ARG 33 2HH1 ARG 33 1.981 10.756 -0.296 214 HH21 ARG 33 1HH2 ARG 33 4.687 9.950 1.766 215 HH22 ARG 33 2HH2 ARG 33 3.130 10.702 1.685 216 H SER 34 H SER 34 6.984 5.667 -1.813 217 HA SER 34 HA SER 34 9.194 6.854 -0.808 218 HB2 SER 34 1HB SER 34 7.798 5.431 0.570 219 HB3 SER 34 2HB SER 34 8.306 4.000 -0.327 220 HG SER 34 HG SER 34 10.224 4.044 0.646 221 H HIS 35 H HIS 35 9.235 3.697 -2.463 222 HA HIS 35 HA HIS 35 11.908 3.133 -2.400 223 HB2 HIS 35 1HB HIS 35 9.841 2.637 -4.530 224 HB3 HIS 35 2HB HIS 35 11.500 2.078 -4.722 225 HD1 HIS 35 HD1 HIS 35 12.342 0.334 -2.873 226 HD2 HIS 35 HD2 HIS 35 8.248 1.034 -2.989 227 HE1 HIS 35 HE1 HIS 35 11.299 -1.567 -1.599 228 H SER 36 H SER 36 13.731 3.792 -3.418 229 HA SER 36 HA SER 36 13.534 5.706 -5.616 230 HB2 SER 36 1HB SER 36 14.883 6.247 -2.971 231 HB3 SER 36 2HB SER 36 15.307 7.126 -4.440 232 HG SER 36 HG SER 36 12.699 7.191 -4.306 233 H GLY 37 H GLY 37 15.349 5.780 -6.955 234 HA2 GLY 37 1HA GLY 37 17.337 5.077 -7.886 235 HA3 GLY 37 2HA GLY 37 17.778 4.412 -6.320 236 H GLU 38 H GLU 38 18.254 2.333 -6.507 237 HA GLU 38 HA GLU 38 16.585 0.676 -8.284 238 HB2 GLU 38 1HB GLU 38 18.494 -0.757 -8.653 239 HB3 GLU 38 2HB GLU 38 18.940 0.902 -9.025 240 HG2 GLU 38 1HG GLU 38 19.771 0.901 -6.538 241 HG3 GLU 38 2HG GLU 38 19.822 -0.843 -6.787 242 H LYS 39 H LYS 39 15.894 -1.327 -7.557 243 HA LYS 39 HA LYS 39 15.100 -1.627 -4.965 244 HB2 LYS 39 1HB LYS 39 14.689 -3.948 -5.438 245 HB3 LYS 39 2HB LYS 39 14.357 -3.022 -6.896 246 HG2 LYS 39 1HG LYS 39 16.697 -3.627 -7.648 247 HG3 LYS 39 2HG LYS 39 16.720 -4.779 -6.311 248 HD2 LYS 39 1HD LYS 39 15.991 -6.081 -8.085 249 HD3 LYS 39 2HD LYS 39 14.476 -5.607 -7.313 250 HE2 LYS 39 1HE LYS 39 14.193 -5.318 -9.657 251 HE3 LYS 39 2HE LYS 39 14.347 -3.711 -8.949 252 HZ1 LYS 39 3HZ LYS 39 15.652 -4.144 -11.043 253 HZ2 LYS 39 1HZ LYS 39 16.652 -5.152 -10.122 254 HZ3 LYS 39 2HZ LYS 39 16.531 -3.507 -9.745 255 HA PRO 40 HA PRO 40 18.611 -2.616 -2.514 256 HB2 PRO 40 1HB PRO 40 17.440 -4.116 -0.577 257 HB3 PRO 40 2HB PRO 40 17.238 -2.364 -0.688 258 HG2 PRO 40 1HG PRO 40 15.401 -4.543 -1.603 259 HG3 PRO 40 2HG PRO 40 15.012 -3.033 -0.759 260 HD2 PRO 40 1HD PRO 40 14.681 -3.336 -3.429 261 HD3 PRO 40 2HD PRO 40 15.112 -1.780 -2.691 262 H SER 41 H SER 41 19.801 -4.484 -1.559 263 HA SER 41 HA SER 41 19.838 -6.670 -3.463 264 HB2 SER 41 1HB SER 41 21.970 -7.210 -2.599 265 HB3 SER 41 2HB SER 41 21.905 -5.449 -2.546 266 HG SER 41 HG SER 41 21.236 -5.703 -0.310 267 H GLY 42 H GLY 42 17.510 -6.856 -2.142 268 HA2 GLY 42 1HA GLY 42 16.490 -8.904 -1.393 269 HA3 GLY 42 2HA GLY 42 17.939 -9.230 -0.452 270 HA PRO 43 HA PRO 43 14.687 -6.388 1.799 271 HB2 PRO 43 1HB PRO 43 12.476 -7.923 2.155 272 HB3 PRO 43 2HB PRO 43 12.671 -6.822 0.786 273 HG2 PRO 43 1HG PRO 43 13.096 -9.782 0.911 274 HG3 PRO 43 2HG PRO 43 12.303 -8.818 -0.348 275 HD2 PRO 43 1HD PRO 43 14.845 -9.717 -0.587 276 HD3 PRO 43 2HD PRO 43 14.304 -8.184 -1.299 277 H SER 44 H SER 44 15.160 -9.874 2.036 278 HA SER 44 HA SER 44 15.856 -9.563 4.850 279 HB2 SER 44 1HB SER 44 14.469 -11.596 5.426 280 HB3 SER 44 2HB SER 44 13.541 -10.144 5.053 281 HG SER 44 HG SER 44 12.572 -11.403 3.675 282 H SER 45 H SER 45 17.326 -11.066 5.596 283 HA SER 45 HA SER 45 18.604 -12.673 3.510 284 HB2 SER 45 1HB SER 45 19.530 -11.580 6.154 285 HB3 SER 45 2HB SER 45 20.415 -12.880 5.356 286 HG SER 45 HG SER 45 20.404 -10.239 4.809 287 H GLY 46 H GLY 46 17.727 -13.007 6.956 288 HA2 GLY 46 1HA GLY 46 16.791 -14.811 8.058 289 HA3 GLY 46 2HA GLY 46 16.644 -15.631 6.511 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.073 -23.720 -5.738 2 HA2 GLY 1 1HA GLY 1 4.345 -22.295 -4.293 3 HA3 GLY 1 2HA GLY 1 5.358 -23.672 -3.886 4 H SER 2 H SER 2 5.665 -20.843 -5.193 5 HA SER 2 HA SER 2 7.026 -21.579 -7.658 6 HB2 SER 2 1HB SER 2 7.402 -19.094 -7.845 7 HB3 SER 2 2HB SER 2 5.707 -19.575 -7.781 8 HG SER 2 HG SER 2 5.627 -18.178 -6.209 9 H SER 3 H SER 3 9.187 -20.320 -8.000 10 HA SER 3 HA SER 3 11.043 -21.387 -6.112 11 HB2 SER 3 1HB SER 3 11.600 -21.308 -8.486 12 HB3 SER 3 2HB SER 3 11.477 -19.549 -8.479 13 HG SER 3 HG SER 3 13.476 -21.204 -7.462 14 H GLY 4 H GLY 4 11.176 -20.468 -4.154 15 HA2 GLY 4 1HA GLY 4 12.385 -18.673 -2.989 16 HA3 GLY 4 2HA GLY 4 11.577 -17.542 -4.064 17 H SER 5 H SER 5 9.366 -17.077 -3.745 18 HA SER 5 HA SER 5 8.580 -17.115 -0.995 19 HB2 SER 5 1HB SER 5 6.666 -15.815 -1.711 20 HB3 SER 5 2HB SER 5 8.096 -15.222 -2.555 21 HG SER 5 HG SER 5 6.028 -16.871 -3.562 22 H SER 6 H SER 6 7.126 -18.374 0.029 23 HA SER 6 HA SER 6 6.554 -20.924 -0.731 24 HB2 SER 6 1HB SER 6 6.125 -19.754 1.527 25 HB3 SER 6 2HB SER 6 4.547 -19.337 0.860 26 HG SER 6 HG SER 6 4.590 -21.329 2.069 27 H GLY 7 H GLY 7 4.313 -18.167 -1.075 28 HA2 GLY 7 1HA GLY 7 3.176 -17.895 -3.231 29 HA3 GLY 7 2HA GLY 7 3.030 -19.646 -3.288 30 H SER 8 H SER 8 2.085 -16.856 -1.293 31 HA SER 8 HA SER 8 -0.654 -17.518 -1.320 32 HB2 SER 8 1HB SER 8 -1.041 -18.448 0.806 33 HB3 SER 8 2HB SER 8 0.367 -19.328 0.212 34 HG SER 8 HG SER 8 1.397 -18.615 1.884 35 H GLY 9 H GLY 9 -1.816 -16.275 0.575 36 HA2 GLY 9 1HA GLY 9 -2.281 -14.232 1.511 37 HA3 GLY 9 2HA GLY 9 -0.558 -14.107 1.833 38 H GLU 10 H GLU 10 -2.191 -14.309 -1.302 39 HA GLU 10 HA GLU 10 -0.695 -12.066 -2.283 40 HB2 GLU 10 1HB GLU 10 -1.371 -14.076 -3.651 41 HB3 GLU 10 2HB GLU 10 -3.015 -13.454 -3.626 42 HG2 GLU 10 1HG GLU 10 -2.478 -11.623 -4.950 43 HG3 GLU 10 2HG GLU 10 -0.754 -11.765 -4.614 44 H LYS 11 H LYS 11 -1.788 -10.240 -3.419 45 HA LYS 11 HA LYS 11 -4.334 -9.458 -2.196 46 HB2 LYS 11 1HB LYS 11 -1.709 -8.080 -1.913 47 HB3 LYS 11 2HB LYS 11 -3.138 -7.075 -2.114 48 HG2 LYS 11 1HG LYS 11 -4.118 -7.895 -0.136 49 HG3 LYS 11 2HG LYS 11 -2.964 -9.226 -0.026 50 HD2 LYS 11 1HD LYS 11 -1.159 -7.638 0.392 51 HD3 LYS 11 2HD LYS 11 -2.294 -6.294 0.244 52 HE2 LYS 11 1HE LYS 11 -3.474 -6.985 2.202 53 HE3 LYS 11 2HE LYS 11 -2.575 -8.500 2.277 54 HZ1 LYS 11 3HZ LYS 11 -1.842 -6.716 3.857 55 HZ2 LYS 11 1HZ LYS 11 -1.275 -5.848 2.520 56 HZ3 LYS 11 2HZ LYS 11 -0.617 -7.363 2.885 57 HA PRO 12 HA PRO 12 -5.393 -7.904 -6.160 58 HB2 PRO 12 1HB PRO 12 -6.860 -5.705 -5.544 59 HB3 PRO 12 2HB PRO 12 -7.446 -7.352 -5.287 60 HG2 PRO 12 1HG PRO 12 -6.242 -5.442 -3.322 61 HG3 PRO 12 2HG PRO 12 -7.644 -6.510 -3.128 62 HD2 PRO 12 1HD PRO 12 -5.198 -7.123 -2.141 63 HD3 PRO 12 2HD PRO 12 -6.334 -8.361 -2.714 64 H PHE 13 H PHE 13 -3.663 -5.857 -3.959 65 HA PHE 13 HA PHE 13 -2.358 -4.541 -6.196 66 HB2 PHE 13 1HB PHE 13 -3.767 -2.979 -4.021 67 HB3 PHE 13 2HB PHE 13 -2.682 -2.284 -5.221 68 HD1 PHE 13 HD2 PHE 13 -5.885 -4.098 -4.819 69 HD2 PHE 13 HD1 PHE 13 -3.467 -1.655 -7.329 70 HE1 PHE 13 HE2 PHE 13 -7.782 -3.810 -6.359 71 HE2 PHE 13 HE1 PHE 13 -5.360 -1.362 -8.873 72 HZ PHE 13 HZ PHE 13 -7.521 -2.441 -8.390 73 H LYS 14 H LYS 14 -0.284 -4.905 -5.809 74 HA LYS 14 HA LYS 14 0.748 -4.416 -3.099 75 HB2 LYS 14 1HB LYS 14 2.407 -6.315 -3.628 76 HB3 LYS 14 2HB LYS 14 0.772 -6.753 -3.150 77 HG2 LYS 14 1HG LYS 14 0.181 -7.399 -5.303 78 HG3 LYS 14 2HG LYS 14 1.511 -6.503 -6.040 79 HD2 LYS 14 1HD LYS 14 3.116 -8.071 -5.117 80 HD3 LYS 14 2HD LYS 14 1.824 -8.936 -4.281 81 HE2 LYS 14 1HE LYS 14 1.929 -8.597 -7.271 82 HE3 LYS 14 2HE LYS 14 2.627 -9.979 -6.429 83 HZ1 LYS 14 3HZ LYS 14 0.584 -10.819 -6.832 84 HZ2 LYS 14 1HZ LYS 14 -0.169 -9.305 -6.893 85 HZ3 LYS 14 2HZ LYS 14 0.197 -10.007 -5.399 86 H CYS 15 H CYS 15 3.118 -4.041 -3.069 87 HA CYS 15 HA CYS 15 3.828 -2.116 -5.047 88 HB2 CYS 15 1HB CYS 15 4.513 -1.979 -2.654 89 HB3 CYS 15 2HB CYS 15 5.582 -3.353 -2.917 90 H GLU 16 H GLU 16 5.552 -2.174 -6.529 91 HA GLU 16 HA GLU 16 6.071 -4.836 -7.592 92 HB2 GLU 16 1HB GLU 16 6.430 -3.847 -9.624 93 HB3 GLU 16 2HB GLU 16 5.382 -2.637 -8.898 94 HG2 GLU 16 1HG GLU 16 7.012 -1.270 -9.661 95 HG3 GLU 16 2HG GLU 16 7.705 -1.656 -8.087 96 H GLU 17 H GLU 17 7.668 -2.327 -5.849 97 HA GLU 17 HA GLU 17 10.344 -3.058 -6.523 98 HB2 GLU 17 1HB GLU 17 9.127 -1.372 -4.348 99 HB3 GLU 17 2HB GLU 17 10.851 -1.716 -4.382 100 HG2 GLU 17 1HG GLU 17 9.337 -0.428 -6.640 101 HG3 GLU 17 2HG GLU 17 10.220 0.457 -5.397 102 H CYS 18 H CYS 18 8.578 -3.375 -3.436 103 HA CYS 18 HA CYS 18 10.316 -5.639 -2.755 104 HB2 CYS 18 1HB CYS 18 9.327 -5.301 -0.440 105 HB3 CYS 18 2HB CYS 18 10.344 -3.995 -1.040 106 H GLY 19 H GLY 19 6.880 -4.695 -2.574 107 HA2 GLY 19 1HA GLY 19 5.363 -6.381 -3.673 108 HA3 GLY 19 2HA GLY 19 6.202 -7.568 -2.686 109 H LYS 20 H LYS 20 5.590 -4.471 -1.306 110 HA LYS 20 HA LYS 20 4.341 -5.336 0.963 111 HB2 LYS 20 1HB LYS 20 5.087 -2.923 0.088 112 HB3 LYS 20 2HB LYS 20 3.354 -2.769 -0.172 113 HG2 LYS 20 1HG LYS 20 3.464 -1.977 1.946 114 HG3 LYS 20 2HG LYS 20 3.283 -3.694 2.313 115 HD2 LYS 20 1HD LYS 20 5.930 -3.622 2.136 116 HD3 LYS 20 2HD LYS 20 5.663 -1.930 2.562 117 HE2 LYS 20 1HE LYS 20 5.918 -2.951 4.630 118 HE3 LYS 20 2HE LYS 20 4.167 -2.883 4.440 119 HZ1 LYS 20 3HZ LYS 20 5.362 -5.278 3.380 120 HZ2 LYS 20 1HZ LYS 20 4.017 -5.095 4.390 121 HZ3 LYS 20 2HZ LYS 20 5.574 -5.100 5.049 122 H GLY 21 H GLY 21 2.057 -4.972 1.676 123 HA2 GLY 21 1HA GLY 21 0.223 -5.907 -0.441 124 HA3 GLY 21 2HA GLY 21 0.070 -6.314 1.262 125 H PHE 22 H PHE 22 -1.630 -4.851 -0.863 126 HA PHE 22 HA PHE 22 -2.603 -2.826 0.991 127 HB2 PHE 22 1HB PHE 22 -2.060 -2.130 -1.899 128 HB3 PHE 22 2HB PHE 22 -2.631 -1.050 -0.631 129 HD1 PHE 22 HD1 PHE 22 -1.042 -0.779 1.417 130 HD2 PHE 22 HD2 PHE 22 0.185 -2.192 -2.406 131 HE1 PHE 22 HE1 PHE 22 1.282 -0.161 1.939 132 HE2 PHE 22 HE2 PHE 22 2.511 -1.578 -1.890 133 HZ PHE 22 HZ PHE 22 3.062 -0.562 0.284 134 H TYR 23 H TYR 23 -4.667 -1.781 -0.024 135 HA TYR 23 HA TYR 23 -6.214 -3.921 -1.334 136 HB2 TYR 23 1HB TYR 23 -7.174 -1.955 0.755 137 HB3 TYR 23 2HB TYR 23 -8.179 -3.148 -0.059 138 HD1 TYR 23 HD1 TYR 23 -6.540 -5.551 -0.013 139 HD2 TYR 23 HD2 TYR 23 -7.062 -2.578 2.986 140 HE1 TYR 23 HE1 TYR 23 -5.981 -7.207 1.717 141 HE2 TYR 23 HE2 TYR 23 -6.504 -4.226 4.724 142 HH TYR 23 HH TYR 23 -5.857 -7.615 3.903 143 H THR 24 H THR 24 -5.647 -0.474 -1.007 144 HA THR 24 HA THR 24 -7.316 -0.006 -3.391 145 HB THR 24 HB THR 24 -7.475 2.339 -2.690 146 HG1 THR 24 HG1 THR 24 -6.745 2.557 -0.310 147 HG21 THR 24 3HG2 THR 24 -9.219 1.942 -1.310 148 HG22 THR 24 1HG2 THR 24 -8.245 1.005 -0.179 149 HG23 THR 24 2HG2 THR 24 -8.857 0.251 -1.651 150 H ASN 25 H ASN 25 -6.400 0.787 -5.192 151 HA ASN 25 HA ASN 25 -3.767 0.621 -5.798 152 HB2 ASN 25 1HB ASN 25 -5.874 1.305 -7.244 153 HB3 ASN 25 2HB ASN 25 -5.254 2.932 -6.974 154 HD21 ASN 25 1HD2 ASN 25 -5.182 2.635 -9.410 155 HD22 ASN 25 2HD2 ASN 25 -3.688 2.064 -10.063 156 H SER 26 H SER 26 -5.347 3.705 -4.937 157 HA SER 26 HA SER 26 -3.264 5.412 -4.883 158 HB2 SER 26 1HB SER 26 -5.581 5.146 -2.982 159 HB3 SER 26 2HB SER 26 -4.393 6.435 -2.787 160 HG SER 26 HG SER 26 -6.078 5.943 -5.011 161 H GLN 27 H GLN 27 -4.157 3.356 -2.110 162 HA GLN 27 HA GLN 27 -2.068 4.038 -0.423 163 HB2 GLN 27 1HB GLN 27 -3.843 1.670 -0.707 164 HB3 GLN 27 2HB GLN 27 -2.410 1.485 0.295 165 HG2 GLN 27 1HG GLN 27 -3.105 3.323 1.696 166 HG3 GLN 27 2HG GLN 27 -4.493 3.627 0.653 167 HE21 GLN 27 1HE2 GLN 27 -5.834 3.365 2.492 168 HE22 GLN 27 2HE2 GLN 27 -6.226 1.790 3.084 169 H CYS 28 H CYS 28 -2.187 1.528 -2.922 170 HA CYS 28 HA CYS 28 0.313 0.377 -2.442 171 HB2 CYS 28 1HB CYS 28 -1.243 -0.736 -3.890 172 HB3 CYS 28 2HB CYS 28 -1.291 0.638 -4.988 173 HG CYS 28 HG CYS 28 1.675 -0.937 -4.503 174 H TYR 29 H TYR 29 -0.606 3.166 -4.400 175 HA TYR 29 HA TYR 29 1.965 3.575 -5.541 176 HB2 TYR 29 1HB TYR 29 -0.233 4.471 -6.425 177 HB3 TYR 29 2HB TYR 29 -0.172 5.672 -5.139 178 HD1 TYR 29 HD1 TYR 29 1.930 4.349 -7.931 179 HD2 TYR 29 HD2 TYR 29 0.812 7.717 -5.584 180 HE1 TYR 29 HE1 TYR 29 3.316 5.795 -9.358 181 HE2 TYR 29 HE2 TYR 29 2.193 9.173 -7.005 182 HH TYR 29 HH TYR 29 3.413 9.304 -8.872 183 H SER 30 H SER 30 0.225 5.321 -2.961 184 HA SER 30 HA SER 30 1.988 7.176 -2.168 185 HB2 SER 30 1HB SER 30 1.044 7.114 -0.010 186 HB3 SER 30 2HB SER 30 -0.219 6.454 -1.048 187 HG SER 30 HG SER 30 0.806 4.338 -0.458 188 H HIS 31 H HIS 31 2.313 3.719 -1.606 189 HA HIS 31 HA HIS 31 4.726 4.037 -0.044 190 HB2 HIS 31 1HB HIS 31 3.494 2.181 0.650 191 HB3 HIS 31 2HB HIS 31 3.116 1.692 -1.000 192 HD1 HIS 31 HD1 HIS 31 5.579 1.222 1.704 193 HD2 HIS 31 HD2 HIS 31 5.254 0.339 -2.343 194 HE1 HIS 31 HE1 HIS 31 7.382 -0.468 1.237 195 H GLN 32 H GLN 32 3.858 2.862 -3.276 196 HA GLN 32 HA GLN 32 6.293 1.977 -4.180 197 HB2 GLN 32 1HB GLN 32 3.928 3.217 -5.489 198 HB3 GLN 32 2HB GLN 32 5.404 3.094 -6.439 199 HG2 GLN 32 1HG GLN 32 5.460 0.674 -5.986 200 HG3 GLN 32 2HG GLN 32 3.934 0.825 -5.118 201 HE21 GLN 32 1HE2 GLN 32 3.153 -0.735 -6.666 202 HE22 GLN 32 2HE2 GLN 32 2.619 -0.201 -8.220 203 H ARG 33 H ARG 33 5.166 5.294 -3.863 204 HA ARG 33 HA ARG 33 7.271 6.534 -5.274 205 HB2 ARG 33 1HB ARG 33 5.293 7.457 -3.219 206 HB3 ARG 33 2HB ARG 33 6.604 8.520 -3.713 207 HG2 ARG 33 1HG ARG 33 5.855 8.360 -6.037 208 HG3 ARG 33 2HG ARG 33 4.533 7.307 -5.531 209 HD2 ARG 33 1HD ARG 33 4.839 9.957 -4.208 210 HD3 ARG 33 2HD ARG 33 4.182 9.901 -5.843 211 HE ARG 33 HE ARG 33 2.931 8.103 -3.956 212 HH11 ARG 33 1HH1 ARG 33 2.897 11.255 -5.433 213 HH12 ARG 33 2HH1 ARG 33 1.221 11.538 -5.097 214 HH21 ARG 33 1HH2 ARG 33 0.724 8.463 -3.508 215 HH22 ARG 33 2HH2 ARG 33 -0.014 9.949 -4.002 216 H SER 34 H SER 34 6.842 5.761 -1.842 217 HA SER 34 HA SER 34 8.957 6.999 -0.674 218 HB2 SER 34 1HB SER 34 7.309 5.481 0.464 219 HB3 SER 34 2HB SER 34 8.241 4.109 -0.133 220 HG SER 34 HG SER 34 9.358 4.388 1.623 221 H HIS 35 H HIS 35 9.119 3.797 -2.232 222 HA HIS 35 HA HIS 35 11.717 3.127 -1.921 223 HB2 HIS 35 1HB HIS 35 9.841 2.796 -4.223 224 HB3 HIS 35 2HB HIS 35 11.525 2.326 -4.433 225 HD1 HIS 35 HD1 HIS 35 12.390 0.585 -2.464 226 HD2 HIS 35 HD2 HIS 35 8.304 0.834 -3.175 227 HE1 HIS 35 HE1 HIS 35 11.408 -1.512 -1.484 228 H SER 36 H SER 36 13.469 4.363 -2.034 229 HA SER 36 HA SER 36 13.744 6.190 -4.332 230 HB2 SER 36 1HB SER 36 14.996 6.512 -1.595 231 HB3 SER 36 2HB SER 36 15.083 7.657 -2.933 232 HG SER 36 HG SER 36 12.535 6.912 -2.158 233 H GLY 37 H GLY 37 15.044 5.227 -5.762 234 HA2 GLY 37 1HA GLY 37 17.265 3.573 -4.824 235 HA3 GLY 37 2HA GLY 37 16.682 3.688 -6.478 236 H GLU 38 H GLU 38 19.389 4.028 -5.095 237 HA GLU 38 HA GLU 38 20.141 6.748 -5.467 238 HB2 GLU 38 1HB GLU 38 21.663 4.188 -5.072 239 HB3 GLU 38 2HB GLU 38 22.506 5.684 -5.450 240 HG2 GLU 38 1HG GLU 38 22.059 6.618 -3.425 241 HG3 GLU 38 2HG GLU 38 20.554 5.724 -3.220 242 H LYS 39 H LYS 39 19.635 7.456 -7.507 243 HA LYS 39 HA LYS 39 20.621 5.984 -9.820 244 HB2 LYS 39 1HB LYS 39 18.829 8.372 -9.464 245 HB3 LYS 39 2HB LYS 39 19.501 7.973 -11.039 246 HG2 LYS 39 1HG LYS 39 18.511 5.603 -10.515 247 HG3 LYS 39 2HG LYS 39 17.477 6.519 -9.415 248 HD2 LYS 39 1HD LYS 39 16.199 6.626 -11.304 249 HD3 LYS 39 2HD LYS 39 17.198 8.060 -11.554 250 HE2 LYS 39 1HE LYS 39 18.026 5.379 -12.614 251 HE3 LYS 39 2HE LYS 39 16.906 6.407 -13.507 252 HZ1 LYS 39 3HZ LYS 39 19.745 6.647 -13.194 253 HZ2 LYS 39 1HZ LYS 39 18.932 8.091 -12.849 254 HZ3 LYS 39 2HZ LYS 39 18.724 7.341 -14.351 255 HA PRO 40 HA PRO 40 24.349 8.378 -9.957 256 HB2 PRO 40 1HB PRO 40 25.184 7.534 -12.398 257 HB3 PRO 40 2HB PRO 40 25.303 6.536 -10.944 258 HG2 PRO 40 1HG PRO 40 23.248 6.475 -13.120 259 HG3 PRO 40 2HG PRO 40 24.054 5.123 -12.305 260 HD2 PRO 40 1HD PRO 40 21.548 5.923 -11.666 261 HD3 PRO 40 2HD PRO 40 22.665 5.237 -10.469 262 H SER 41 H SER 41 22.269 8.241 -12.846 263 HA SER 41 HA SER 41 22.758 11.120 -13.225 264 HB2 SER 41 1HB SER 41 22.737 8.917 -15.278 265 HB3 SER 41 2HB SER 41 22.420 10.593 -15.727 266 HG SER 41 HG SER 41 24.507 10.768 -15.788 267 H GLY 42 H GLY 42 20.869 11.857 -12.355 268 HA2 GLY 42 1HA GLY 42 18.355 10.719 -13.376 269 HA3 GLY 42 2HA GLY 42 18.517 11.695 -11.923 270 HA PRO 43 HA PRO 43 17.101 14.259 -15.635 271 HB2 PRO 43 1HB PRO 43 14.608 14.823 -14.722 272 HB3 PRO 43 2HB PRO 43 14.969 13.408 -15.718 273 HG2 PRO 43 1HG PRO 43 14.635 13.599 -12.750 274 HG3 PRO 43 2HG PRO 43 14.018 12.369 -13.868 275 HD2 PRO 43 1HD PRO 43 16.223 11.978 -12.345 276 HD3 PRO 43 2HD PRO 43 16.035 11.256 -13.956 277 H SER 44 H SER 44 16.384 16.549 -15.536 278 HA SER 44 HA SER 44 17.444 17.818 -13.111 279 HB2 SER 44 1HB SER 44 18.431 18.328 -15.402 280 HB3 SER 44 2HB SER 44 16.921 19.164 -15.763 281 HG SER 44 HG SER 44 18.190 19.823 -13.378 282 H SER 45 H SER 45 14.722 17.973 -15.374 283 HA SER 45 HA SER 45 13.308 19.825 -13.625 284 HB2 SER 45 1HB SER 45 13.322 20.042 -16.157 285 HB3 SER 45 2HB SER 45 12.291 18.611 -16.198 286 HG SER 45 HG SER 45 10.819 20.156 -16.082 287 H GLY 46 H GLY 46 12.636 16.665 -15.148 288 HA2 GLY 46 1HA GLY 46 10.389 16.166 -13.436 289 HA3 GLY 46 2HA GLY 46 11.114 15.029 -14.563 Start of MODEL 19 1 H1 GLY 1 H GLY 1 14.894 -11.629 -3.579 2 HA2 GLY 1 1HA GLY 1 12.645 -12.483 -2.176 3 HA3 GLY 1 2HA GLY 1 14.306 -12.790 -1.690 4 H SER 2 H SER 2 12.157 -9.944 -1.813 5 HA SER 2 HA SER 2 13.274 -8.966 0.671 6 HB2 SER 2 1HB SER 2 11.891 -7.001 0.301 7 HB3 SER 2 2HB SER 2 12.710 -7.426 -1.201 8 HG SER 2 HG SER 2 10.673 -8.624 -1.665 9 H SER 3 H SER 3 10.247 -10.351 -0.480 10 HA SER 3 HA SER 3 9.037 -10.116 2.158 11 HB2 SER 3 1HB SER 3 7.882 -9.847 -0.209 12 HB3 SER 3 2HB SER 3 7.726 -11.599 -0.084 13 HG SER 3 HG SER 3 6.537 -9.585 1.442 14 H GLY 4 H GLY 4 8.924 -11.713 3.614 15 HA2 GLY 4 1HA GLY 4 9.486 -14.465 2.729 16 HA3 GLY 4 2HA GLY 4 10.401 -13.775 4.061 17 H SER 5 H SER 5 7.309 -15.008 3.030 18 HA SER 5 HA SER 5 5.463 -15.701 4.167 19 HB2 SER 5 1HB SER 5 7.675 -16.165 6.143 20 HB3 SER 5 2HB SER 5 6.002 -16.484 6.599 21 HG SER 5 HG SER 5 6.167 -17.643 4.343 22 H SER 6 H SER 6 5.738 -12.947 4.030 23 HA SER 6 HA SER 6 4.959 -11.979 6.690 24 HB2 SER 6 1HB SER 6 6.787 -10.819 5.333 25 HB3 SER 6 2HB SER 6 5.500 -10.272 4.260 26 HG SER 6 HG SER 6 5.057 -9.856 6.955 27 H GLY 7 H GLY 7 3.100 -13.576 5.373 28 HA2 GLY 7 1HA GLY 7 0.707 -12.538 5.680 29 HA3 GLY 7 2HA GLY 7 1.156 -11.738 4.182 30 H SER 8 H SER 8 -0.993 -13.683 4.778 31 HA SER 8 HA SER 8 -0.197 -16.069 3.327 32 HB2 SER 8 1HB SER 8 -1.689 -16.302 5.260 33 HB3 SER 8 2HB SER 8 -2.881 -15.264 4.477 34 HG SER 8 HG SER 8 -2.237 -17.916 3.993 35 H GLY 9 H GLY 9 -1.125 -16.756 1.366 36 HA2 GLY 9 1HA GLY 9 -1.694 -16.395 -0.835 37 HA3 GLY 9 2HA GLY 9 -3.072 -15.552 -0.145 38 H GLU 10 H GLU 10 -2.878 -14.273 -2.147 39 HA GLU 10 HA GLU 10 -0.764 -12.233 -1.960 40 HB2 GLU 10 1HB GLU 10 -0.891 -11.919 -4.284 41 HB3 GLU 10 2HB GLU 10 -0.987 -13.661 -4.072 42 HG2 GLU 10 1HG GLU 10 -3.475 -13.455 -4.232 43 HG3 GLU 10 2HG GLU 10 -3.240 -11.765 -4.673 44 H LYS 11 H LYS 11 -1.693 -10.158 -3.283 45 HA LYS 11 HA LYS 11 -4.306 -9.497 -2.100 46 HB2 LYS 11 1HB LYS 11 -1.698 -8.101 -1.813 47 HB3 LYS 11 2HB LYS 11 -3.127 -7.094 -2.006 48 HG2 LYS 11 1HG LYS 11 -4.116 -7.952 -0.041 49 HG3 LYS 11 2HG LYS 11 -2.938 -9.262 0.064 50 HD2 LYS 11 1HD LYS 11 -1.162 -7.629 0.482 51 HD3 LYS 11 2HD LYS 11 -2.340 -6.319 0.373 52 HE2 LYS 11 1HE LYS 11 -3.564 -7.721 2.236 53 HE3 LYS 11 2HE LYS 11 -1.942 -8.352 2.513 54 HZ1 LYS 11 3HZ LYS 11 -2.984 -5.653 2.941 55 HZ2 LYS 11 1HZ LYS 11 -1.367 -5.803 2.467 56 HZ3 LYS 11 2HZ LYS 11 -1.907 -6.557 3.881 57 HA PRO 12 HA PRO 12 -5.477 -7.829 -5.985 58 HB2 PRO 12 1HB PRO 12 -6.873 -5.606 -5.289 59 HB3 PRO 12 2HB PRO 12 -7.484 -7.245 -5.032 60 HG2 PRO 12 1HG PRO 12 -6.171 -5.387 -3.087 61 HG3 PRO 12 2HG PRO 12 -7.588 -6.428 -2.857 62 HD2 PRO 12 1HD PRO 12 -5.122 -7.106 -1.966 63 HD3 PRO 12 2HD PRO 12 -6.305 -8.312 -2.513 64 H PHE 13 H PHE 13 -3.680 -5.795 -3.804 65 HA PHE 13 HA PHE 13 -2.379 -4.516 -6.064 66 HB2 PHE 13 1HB PHE 13 -3.725 -2.902 -3.887 67 HB3 PHE 13 2HB PHE 13 -2.682 -2.246 -5.144 68 HD1 PHE 13 HD2 PHE 13 -5.903 -3.947 -4.528 69 HD2 PHE 13 HD1 PHE 13 -3.519 -1.748 -7.284 70 HE1 PHE 13 HE2 PHE 13 -7.855 -3.686 -6.002 71 HE2 PHE 13 HE1 PHE 13 -5.468 -1.482 -8.762 72 HZ PHE 13 HZ PHE 13 -7.639 -2.453 -8.123 73 H LYS 14 H LYS 14 -0.309 -4.921 -5.683 74 HA LYS 14 HA LYS 14 0.751 -4.395 -2.991 75 HB2 LYS 14 1HB LYS 14 2.383 -6.333 -3.527 76 HB3 LYS 14 2HB LYS 14 0.759 -6.724 -2.977 77 HG2 LYS 14 1HG LYS 14 0.072 -7.122 -5.289 78 HG3 LYS 14 2HG LYS 14 1.705 -6.736 -5.837 79 HD2 LYS 14 1HD LYS 14 1.380 -8.836 -3.755 80 HD3 LYS 14 2HD LYS 14 0.928 -9.232 -5.414 81 HE2 LYS 14 1HE LYS 14 3.125 -9.816 -5.499 82 HE3 LYS 14 2HE LYS 14 3.282 -8.110 -5.914 83 HZ1 LYS 14 3HZ LYS 14 4.880 -8.718 -4.232 84 HZ2 LYS 14 1HZ LYS 14 3.656 -9.294 -3.216 85 HZ3 LYS 14 2HZ LYS 14 3.751 -7.644 -3.574 86 H CYS 15 H CYS 15 3.006 -3.833 -2.927 87 HA CYS 15 HA CYS 15 3.763 -2.029 -4.953 88 HB2 CYS 15 1HB CYS 15 4.474 -1.912 -2.553 89 HB3 CYS 15 2HB CYS 15 5.558 -3.265 -2.858 90 H GLU 16 H GLU 16 5.358 -2.128 -6.529 91 HA GLU 16 HA GLU 16 5.897 -4.805 -7.531 92 HB2 GLU 16 1HB GLU 16 6.270 -3.844 -9.599 93 HB3 GLU 16 2HB GLU 16 5.109 -2.724 -8.900 94 HG2 GLU 16 1HG GLU 16 6.812 -1.147 -8.392 95 HG3 GLU 16 2HG GLU 16 8.082 -2.301 -8.796 96 H GLU 17 H GLU 17 7.485 -2.342 -5.777 97 HA GLU 17 HA GLU 17 10.163 -3.019 -6.560 98 HB2 GLU 17 1HB GLU 17 8.991 -1.311 -4.379 99 HB3 GLU 17 2HB GLU 17 10.716 -1.639 -4.457 100 HG2 GLU 17 1HG GLU 17 10.637 0.323 -5.599 101 HG3 GLU 17 2HG GLU 17 10.430 -0.811 -6.933 102 H CYS 18 H CYS 18 8.471 -3.313 -3.431 103 HA CYS 18 HA CYS 18 10.260 -5.534 -2.746 104 HB2 CYS 18 1HB CYS 18 9.330 -5.190 -0.424 105 HB3 CYS 18 2HB CYS 18 10.257 -3.838 -1.067 106 H GLY 19 H GLY 19 6.807 -4.661 -2.584 107 HA2 GLY 19 1HA GLY 19 5.339 -6.422 -3.641 108 HA3 GLY 19 2HA GLY 19 6.189 -7.549 -2.595 109 H LYS 20 H LYS 20 5.662 -4.510 -1.178 110 HA LYS 20 HA LYS 20 4.338 -5.299 1.038 111 HB2 LYS 20 1HB LYS 20 5.105 -2.910 0.159 112 HB3 LYS 20 2HB LYS 20 3.387 -2.750 -0.181 113 HG2 LYS 20 1HG LYS 20 3.401 -1.918 1.923 114 HG3 LYS 20 2HG LYS 20 3.203 -3.627 2.318 115 HD2 LYS 20 1HD LYS 20 5.824 -3.617 2.308 116 HD3 LYS 20 2HD LYS 20 5.615 -1.883 2.563 117 HE2 LYS 20 1HE LYS 20 4.472 -2.217 4.594 118 HE3 LYS 20 2HE LYS 20 4.211 -3.928 4.259 119 HZ1 LYS 20 3HZ LYS 20 6.805 -3.966 4.266 120 HZ2 LYS 20 1HZ LYS 20 5.944 -4.025 5.721 121 HZ3 LYS 20 2HZ LYS 20 6.632 -2.569 5.204 122 H GLY 21 H GLY 21 2.072 -5.028 1.739 123 HA2 GLY 21 1HA GLY 21 0.254 -5.990 -0.372 124 HA3 GLY 21 2HA GLY 21 0.076 -6.321 1.345 125 H PHE 22 H PHE 22 -1.606 -4.968 -0.855 126 HA PHE 22 HA PHE 22 -2.638 -2.891 0.893 127 HB2 PHE 22 1HB PHE 22 -1.895 -2.254 -1.969 128 HB3 PHE 22 2HB PHE 22 -2.614 -1.152 -0.799 129 HD1 PHE 22 HD1 PHE 22 -1.192 -1.020 1.485 130 HD2 PHE 22 HD2 PHE 22 0.343 -2.009 -2.360 131 HE1 PHE 22 HE1 PHE 22 1.053 -0.315 2.203 132 HE2 PHE 22 HE2 PHE 22 2.591 -1.307 -1.647 133 HZ PHE 22 HZ PHE 22 2.948 -0.459 0.637 134 H TYR 23 H TYR 23 -4.714 -1.976 0.003 135 HA TYR 23 HA TYR 23 -6.156 -4.064 -1.496 136 HB2 TYR 23 1HB TYR 23 -6.856 -2.534 0.952 137 HB3 TYR 23 2HB TYR 23 -8.159 -2.850 -0.188 138 HD1 TYR 23 HD2 TYR 23 -5.357 -5.180 0.262 139 HD2 TYR 23 HD1 TYR 23 -9.379 -4.285 1.322 140 HE1 TYR 23 HE2 TYR 23 -5.611 -7.445 1.186 141 HE2 TYR 23 HE1 TYR 23 -9.644 -6.547 2.250 142 HH TYR 23 HH TYR 23 -8.720 -8.584 2.430 143 H THR 24 H THR 24 -5.609 -0.642 -1.049 144 HA THR 24 HA THR 24 -7.301 -0.084 -3.396 145 HB THR 24 HB THR 24 -7.417 2.245 -2.618 146 HG1 THR 24 HG1 THR 24 -5.792 1.229 -0.522 147 HG21 THR 24 3HG2 THR 24 -8.303 1.178 -0.129 148 HG22 THR 24 1HG2 THR 24 -8.627 -0.010 -1.391 149 HG23 THR 24 2HG2 THR 24 -9.264 1.628 -1.538 150 H ASN 25 H ASN 25 -6.325 0.531 -5.211 151 HA ASN 25 HA ASN 25 -3.681 0.460 -5.756 152 HB2 ASN 25 1HB ASN 25 -5.734 0.933 -7.306 153 HB3 ASN 25 2HB ASN 25 -5.306 2.622 -7.054 154 HD21 ASN 25 1HD2 ASN 25 -5.243 1.685 -9.554 155 HD22 ASN 25 2HD2 ASN 25 -3.617 1.498 -10.105 156 H SER 26 H SER 26 -5.417 3.488 -5.012 157 HA SER 26 HA SER 26 -3.471 5.331 -5.040 158 HB2 SER 26 1HB SER 26 -5.437 5.036 -2.756 159 HB3 SER 26 2HB SER 26 -4.611 6.519 -3.233 160 HG SER 26 HG SER 26 -6.896 5.560 -4.157 161 H GLN 27 H GLN 27 -4.104 3.293 -2.182 162 HA GLN 27 HA GLN 27 -1.999 4.145 -0.605 163 HB2 GLN 27 1HB GLN 27 -3.593 1.639 -0.779 164 HB3 GLN 27 2HB GLN 27 -2.120 1.598 0.180 165 HG2 GLN 27 1HG GLN 27 -4.143 3.758 0.593 166 HG3 GLN 27 2HG GLN 27 -4.358 2.168 1.323 167 HE21 GLN 27 1HE2 GLN 27 -4.147 4.366 2.905 168 HE22 GLN 27 2HE2 GLN 27 -2.639 4.349 3.748 169 H CYS 28 H CYS 28 -2.028 1.319 -2.780 170 HA CYS 28 HA CYS 28 0.533 0.428 -2.476 171 HB2 CYS 28 1HB CYS 28 -0.955 -0.782 -3.895 172 HB3 CYS 28 2HB CYS 28 -1.152 0.594 -4.974 173 HG CYS 28 HG CYS 28 0.349 -0.920 -6.549 174 H TYR 29 H TYR 29 -0.549 3.116 -4.508 175 HA TYR 29 HA TYR 29 1.998 3.659 -5.636 176 HB2 TYR 29 1HB TYR 29 -0.255 4.402 -6.538 177 HB3 TYR 29 2HB TYR 29 -0.252 5.643 -5.290 178 HD1 TYR 29 HD1 TYR 29 2.086 4.334 -7.905 179 HD2 TYR 29 HD2 TYR 29 0.444 7.735 -5.945 180 HE1 TYR 29 HE1 TYR 29 3.390 5.807 -9.382 181 HE2 TYR 29 HE2 TYR 29 1.743 9.217 -7.417 182 HH TYR 29 HH TYR 29 2.913 8.534 -10.148 183 H SER 30 H SER 30 0.187 5.137 -2.958 184 HA SER 30 HA SER 30 1.856 7.180 -2.246 185 HB2 SER 30 1HB SER 30 0.093 5.356 -0.657 186 HB3 SER 30 2HB SER 30 1.139 6.490 0.198 187 HG SER 30 HG SER 30 -1.025 7.267 -0.357 188 H HIS 31 H HIS 31 2.202 3.757 -1.418 189 HA HIS 31 HA HIS 31 4.554 4.157 0.165 190 HB2 HIS 31 1HB HIS 31 3.436 2.229 0.791 191 HB3 HIS 31 2HB HIS 31 3.060 1.782 -0.871 192 HD1 HIS 31 HD1 HIS 31 5.558 1.299 1.801 193 HD2 HIS 31 HD2 HIS 31 5.214 0.516 -2.265 194 HE1 HIS 31 HE1 HIS 31 7.397 -0.334 1.273 195 H GLN 32 H GLN 32 3.962 2.800 -3.073 196 HA GLN 32 HA GLN 32 6.412 2.062 -3.899 197 HB2 GLN 32 1HB GLN 32 4.128 2.400 -5.199 198 HB3 GLN 32 2HB GLN 32 4.928 3.863 -5.757 199 HG2 GLN 32 1HG GLN 32 6.772 2.537 -6.631 200 HG3 GLN 32 2HG GLN 32 5.996 1.065 -6.050 201 HE21 GLN 32 1HE2 GLN 32 4.145 0.307 -7.088 202 HE22 GLN 32 2HE2 GLN 32 3.702 0.840 -8.670 203 H ARG 33 H ARG 33 5.245 5.423 -4.172 204 HA ARG 33 HA ARG 33 7.386 6.706 -5.180 205 HB2 ARG 33 1HB ARG 33 5.877 7.697 -2.756 206 HB3 ARG 33 2HB ARG 33 6.746 8.681 -3.925 207 HG2 ARG 33 1HG ARG 33 5.145 7.784 -5.667 208 HG3 ARG 33 2HG ARG 33 4.197 7.148 -4.322 209 HD2 ARG 33 1HD ARG 33 5.018 10.032 -4.449 210 HD3 ARG 33 2HD ARG 33 3.565 9.449 -5.260 211 HE ARG 33 HE ARG 33 2.553 9.157 -3.201 212 HH11 ARG 33 1HH1 ARG 33 5.917 9.961 -2.802 213 HH12 ARG 33 2HH1 ARG 33 5.777 10.267 -1.102 214 HH21 ARG 33 1HH2 ARG 33 2.356 9.557 -0.964 215 HH22 ARG 33 2HH2 ARG 33 3.751 10.036 -0.057 216 H SER 34 H SER 34 7.034 5.775 -1.769 217 HA SER 34 HA SER 34 9.211 6.850 -0.596 218 HB2 SER 34 1HB SER 34 7.694 5.393 0.624 219 HB3 SER 34 2HB SER 34 8.255 3.993 -0.290 220 HG SER 34 HG SER 34 9.192 4.464 1.908 221 H HIS 35 H HIS 35 9.251 3.853 -2.511 222 HA HIS 35 HA HIS 35 11.920 3.196 -2.286 223 HB2 HIS 35 1HB HIS 35 9.941 2.828 -4.519 224 HB3 HIS 35 2HB HIS 35 11.602 2.267 -4.683 225 HD1 HIS 35 HD1 HIS 35 12.371 0.483 -2.796 226 HD2 HIS 35 HD2 HIS 35 8.285 1.101 -3.222 227 HE1 HIS 35 HE1 HIS 35 11.273 -1.487 -1.683 228 H SER 36 H SER 36 13.792 3.703 -3.402 229 HA SER 36 HA SER 36 13.680 6.207 -4.949 230 HB2 SER 36 1HB SER 36 15.733 5.126 -3.035 231 HB3 SER 36 2HB SER 36 16.170 6.337 -4.241 232 HG SER 36 HG SER 36 13.886 6.887 -2.792 233 H GLY 37 H GLY 37 14.895 6.399 -6.833 234 HA2 GLY 37 1HA GLY 37 16.630 4.322 -7.758 235 HA3 GLY 37 2HA GLY 37 15.053 4.239 -8.529 236 H GLU 38 H GLU 38 14.485 6.973 -8.729 237 HA GLU 38 HA GLU 38 16.185 7.645 -10.975 238 HB2 GLU 38 1HB GLU 38 14.569 9.434 -11.397 239 HB3 GLU 38 2HB GLU 38 13.759 7.889 -11.182 240 HG2 GLU 38 1HG GLU 38 13.571 8.701 -8.693 241 HG3 GLU 38 2HG GLU 38 13.763 10.290 -9.432 242 H LYS 39 H LYS 39 17.720 7.752 -8.761 243 HA LYS 39 HA LYS 39 18.003 10.636 -8.217 244 HB2 LYS 39 1HB LYS 39 17.503 9.463 -6.174 245 HB3 LYS 39 2HB LYS 39 18.740 8.258 -6.506 246 HG2 LYS 39 1HG LYS 39 19.635 9.691 -4.867 247 HG3 LYS 39 2HG LYS 39 20.427 10.127 -6.382 248 HD2 LYS 39 1HD LYS 39 19.884 12.200 -5.526 249 HD3 LYS 39 2HD LYS 39 18.495 11.871 -6.565 250 HE2 LYS 39 1HE LYS 39 17.410 10.877 -4.464 251 HE3 LYS 39 2HE LYS 39 18.690 11.700 -3.574 252 HZ1 LYS 39 3HZ LYS 39 16.684 13.044 -3.706 253 HZ2 LYS 39 1HZ LYS 39 16.745 13.010 -5.396 254 HZ3 LYS 39 2HZ LYS 39 17.962 13.794 -4.522 255 HA PRO 40 HA PRO 40 21.702 9.973 -10.685 256 HB2 PRO 40 1HB PRO 40 22.306 12.611 -10.902 257 HB3 PRO 40 2HB PRO 40 21.074 11.822 -11.895 258 HG2 PRO 40 1HG PRO 40 20.739 13.486 -9.429 259 HG3 PRO 40 2HG PRO 40 19.798 13.510 -10.932 260 HD2 PRO 40 1HD PRO 40 18.937 12.251 -8.694 261 HD3 PRO 40 2HD PRO 40 18.546 11.672 -10.326 262 H SER 41 H SER 41 23.500 9.308 -9.706 263 HA SER 41 HA SER 41 24.319 10.342 -7.155 264 HB2 SER 41 1HB SER 41 26.051 8.672 -7.225 265 HB3 SER 41 2HB SER 41 24.576 7.940 -7.857 266 HG SER 41 HG SER 41 25.435 7.851 -9.810 267 H GLY 42 H GLY 42 25.816 11.847 -6.717 268 HA2 GLY 42 1HA GLY 42 28.129 12.489 -7.970 269 HA3 GLY 42 2HA GLY 42 26.928 13.362 -8.911 270 HA PRO 43 HA PRO 43 28.290 15.702 -4.998 271 HB2 PRO 43 1HB PRO 43 29.858 17.571 -6.190 272 HB3 PRO 43 2HB PRO 43 30.486 16.033 -5.587 273 HG2 PRO 43 1HG PRO 43 29.755 16.815 -8.383 274 HG3 PRO 43 2HG PRO 43 31.164 15.905 -7.808 275 HD2 PRO 43 1HD PRO 43 29.003 14.701 -8.908 276 HD3 PRO 43 2HD PRO 43 29.981 13.934 -7.641 277 H SER 44 H SER 44 27.605 16.882 -8.278 278 HA SER 44 HA SER 44 25.414 18.480 -7.262 279 HB2 SER 44 1HB SER 44 26.251 20.553 -8.411 280 HB3 SER 44 2HB SER 44 27.192 20.082 -6.996 281 HG SER 44 HG SER 44 28.863 19.733 -8.229 282 H SER 45 H SER 45 23.884 18.986 -8.822 283 HA SER 45 HA SER 45 24.091 17.423 -11.265 284 HB2 SER 45 1HB SER 45 21.722 17.750 -11.494 285 HB3 SER 45 2HB SER 45 22.041 17.376 -9.800 286 HG SER 45 HG SER 45 20.688 19.375 -10.614 287 H GLY 46 H GLY 46 23.833 18.257 -13.350 288 HA2 GLY 46 1HA GLY 46 23.790 21.166 -13.661 289 HA3 GLY 46 2HA GLY 46 25.199 20.310 -14.268 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.267 -31.621 -2.466 2 HA2 GLY 1 1HA GLY 1 3.420 -31.483 -5.219 3 HA3 GLY 1 2HA GLY 1 2.071 -30.449 -4.774 4 H SER 2 H SER 2 2.564 -28.386 -4.518 5 HA SER 2 HA SER 2 5.213 -27.688 -3.449 6 HB2 SER 2 1HB SER 2 4.938 -27.422 -6.014 7 HB3 SER 2 2HB SER 2 3.924 -26.037 -5.609 8 HG SER 2 HG SER 2 6.014 -25.691 -4.156 9 H SER 3 H SER 3 5.307 -25.837 -2.184 10 HA SER 3 HA SER 3 3.094 -25.224 -0.624 11 HB2 SER 3 1HB SER 3 4.415 -23.513 0.372 12 HB3 SER 3 2HB SER 3 5.548 -24.777 -0.107 13 HG SER 3 HG SER 3 5.763 -22.305 -0.719 14 H GLY 4 H GLY 4 4.398 -23.525 -3.446 15 HA2 GLY 4 1HA GLY 4 2.860 -22.494 -5.004 16 HA3 GLY 4 2HA GLY 4 1.828 -22.092 -3.640 17 H SER 5 H SER 5 2.283 -20.289 -2.387 18 HA SER 5 HA SER 5 4.344 -18.500 -3.501 19 HB2 SER 5 1HB SER 5 2.938 -16.635 -3.099 20 HB3 SER 5 2HB SER 5 1.884 -17.857 -3.808 21 HG SER 5 HG SER 5 0.902 -18.139 -1.920 22 H SER 6 H SER 6 4.976 -16.741 -1.869 23 HA SER 6 HA SER 6 5.925 -18.091 0.500 24 HB2 SER 6 1HB SER 6 7.206 -16.035 0.898 25 HB3 SER 6 2HB SER 6 7.410 -16.585 -0.765 26 HG SER 6 HG SER 6 6.856 -14.231 -0.223 27 H GLY 7 H GLY 7 3.226 -18.020 0.679 28 HA2 GLY 7 1HA GLY 7 2.743 -16.899 3.179 29 HA3 GLY 7 2HA GLY 7 2.168 -15.740 1.990 30 H SER 8 H SER 8 0.033 -16.031 2.779 31 HA SER 8 HA SER 8 -1.197 -18.642 2.552 32 HB2 SER 8 1HB SER 8 -2.417 -15.951 3.214 33 HB3 SER 8 2HB SER 8 -3.233 -17.508 3.349 34 HG SER 8 HG SER 8 -0.971 -17.724 4.673 35 H GLY 9 H GLY 9 -1.388 -15.504 0.911 36 HA2 GLY 9 1HA GLY 9 -2.210 -16.817 -1.532 37 HA3 GLY 9 2HA GLY 9 -3.444 -15.790 -0.818 38 H GLU 10 H GLU 10 -3.439 -13.696 -1.333 39 HA GLU 10 HA GLU 10 -1.095 -12.176 -1.803 40 HB2 GLU 10 1HB GLU 10 -1.126 -11.864 -4.133 41 HB3 GLU 10 2HB GLU 10 -1.298 -13.601 -3.916 42 HG2 GLU 10 1HG GLU 10 -3.591 -11.715 -4.400 43 HG3 GLU 10 2HG GLU 10 -2.777 -12.647 -5.656 44 H LYS 11 H LYS 11 -1.823 -10.038 -3.073 45 HA LYS 11 HA LYS 11 -4.438 -9.247 -1.967 46 HB2 LYS 11 1HB LYS 11 -1.768 -7.966 -1.755 47 HB3 LYS 11 2HB LYS 11 -3.142 -6.895 -1.993 48 HG2 LYS 11 1HG LYS 11 -4.113 -7.479 0.029 49 HG3 LYS 11 2HG LYS 11 -3.200 -8.986 0.144 50 HD2 LYS 11 1HD LYS 11 -1.173 -7.790 0.618 51 HD3 LYS 11 2HD LYS 11 -1.959 -6.241 0.303 52 HE2 LYS 11 1HE LYS 11 -2.088 -6.263 2.578 53 HE3 LYS 11 2HE LYS 11 -3.591 -7.103 2.202 54 HZ1 LYS 11 3HZ LYS 11 -2.762 -9.094 2.891 55 HZ2 LYS 11 1HZ LYS 11 -1.889 -8.073 3.919 56 HZ3 LYS 11 2HZ LYS 11 -1.157 -8.699 2.528 57 HA PRO 12 HA PRO 12 -5.593 -7.672 -5.895 58 HB2 PRO 12 1HB PRO 12 -6.865 -5.357 -5.270 59 HB3 PRO 12 2HB PRO 12 -7.552 -6.951 -4.937 60 HG2 PRO 12 1HG PRO 12 -6.115 -5.084 -3.089 61 HG3 PRO 12 2HG PRO 12 -7.577 -6.043 -2.796 62 HD2 PRO 12 1HD PRO 12 -5.133 -6.807 -1.916 63 HD3 PRO 12 2HD PRO 12 -6.383 -7.973 -2.395 64 H PHE 13 H PHE 13 -3.534 -5.786 -3.874 65 HA PHE 13 HA PHE 13 -2.189 -4.675 -6.154 66 HB2 PHE 13 1HB PHE 13 -3.517 -2.780 -4.206 67 HB3 PHE 13 2HB PHE 13 -2.457 -2.323 -5.535 68 HD1 PHE 13 HD2 PHE 13 -5.736 -3.807 -4.708 69 HD2 PHE 13 HD1 PHE 13 -3.281 -2.076 -7.725 70 HE1 PHE 13 HE2 PHE 13 -7.683 -3.662 -6.205 71 HE2 PHE 13 HE1 PHE 13 -5.225 -1.927 -9.226 72 HZ PHE 13 HZ PHE 13 -7.430 -2.721 -8.467 73 H LYS 14 H LYS 14 -0.125 -4.963 -5.672 74 HA LYS 14 HA LYS 14 0.811 -4.283 -2.972 75 HB2 LYS 14 1HB LYS 14 2.454 -6.277 -3.339 76 HB3 LYS 14 2HB LYS 14 0.826 -6.587 -2.751 77 HG2 LYS 14 1HG LYS 14 0.920 -8.168 -4.366 78 HG3 LYS 14 2HG LYS 14 0.343 -6.821 -5.350 79 HD2 LYS 14 1HD LYS 14 2.082 -7.481 -6.659 80 HD3 LYS 14 2HD LYS 14 2.962 -6.394 -5.583 81 HE2 LYS 14 1HE LYS 14 2.798 -9.396 -5.458 82 HE3 LYS 14 2HE LYS 14 4.226 -8.400 -5.730 83 HZ1 LYS 14 3HZ LYS 14 2.675 -8.664 -3.215 84 HZ2 LYS 14 1HZ LYS 14 3.881 -7.502 -3.450 85 HZ3 LYS 14 2HZ LYS 14 4.272 -9.147 -3.492 86 H CYS 15 H CYS 15 3.018 -3.652 -2.840 87 HA CYS 15 HA CYS 15 3.906 -2.003 -4.903 88 HB2 CYS 15 1HB CYS 15 4.603 -1.782 -2.539 89 HB3 CYS 15 2HB CYS 15 5.568 -3.246 -2.701 90 H GLU 16 H GLU 16 5.547 -2.182 -6.434 91 HA GLU 16 HA GLU 16 6.031 -4.907 -7.350 92 HB2 GLU 16 1HB GLU 16 6.320 -4.049 -9.453 93 HB3 GLU 16 2HB GLU 16 5.283 -2.804 -8.771 94 HG2 GLU 16 1HG GLU 16 7.534 -1.673 -8.120 95 HG3 GLU 16 2HG GLU 16 8.199 -2.716 -9.376 96 H GLU 17 H GLU 17 7.678 -2.276 -5.844 97 HA GLU 17 HA GLU 17 10.330 -2.973 -6.569 98 HB2 GLU 17 1HB GLU 17 9.152 -1.319 -4.349 99 HB3 GLU 17 2HB GLU 17 10.881 -1.618 -4.446 100 HG2 GLU 17 1HG GLU 17 9.154 -0.186 -6.443 101 HG3 GLU 17 2HG GLU 17 10.447 0.487 -5.452 102 H CYS 18 H CYS 18 8.515 -3.495 -3.543 103 HA CYS 18 HA CYS 18 10.388 -5.673 -2.897 104 HB2 CYS 18 1HB CYS 18 9.564 -5.367 -0.542 105 HB3 CYS 18 2HB CYS 18 10.444 -3.988 -1.194 106 H GLY 19 H GLY 19 6.953 -4.760 -2.633 107 HA2 GLY 19 1HA GLY 19 5.533 -6.608 -3.731 108 HA3 GLY 19 2HA GLY 19 6.278 -7.624 -2.505 109 H LYS 20 H LYS 20 5.976 -4.701 -1.087 110 HA LYS 20 HA LYS 20 4.326 -5.240 0.920 111 HB2 LYS 20 1HB LYS 20 5.436 -2.986 0.221 112 HB3 LYS 20 2HB LYS 20 3.867 -2.631 -0.490 113 HG2 LYS 20 1HG LYS 20 3.577 -1.707 1.565 114 HG3 LYS 20 2HG LYS 20 3.009 -3.344 1.899 115 HD2 LYS 20 1HD LYS 20 5.574 -3.721 2.450 116 HD3 LYS 20 2HD LYS 20 5.511 -1.983 2.752 117 HE2 LYS 20 1HE LYS 20 5.064 -3.006 4.827 118 HE3 LYS 20 2HE LYS 20 3.503 -2.454 4.223 119 HZ1 LYS 20 3HZ LYS 20 3.914 -5.049 3.283 120 HZ2 LYS 20 1HZ LYS 20 2.761 -4.516 4.401 121 HZ3 LYS 20 2HZ LYS 20 4.272 -5.054 4.936 122 H GLY 21 H GLY 21 2.130 -5.247 1.419 123 HA2 GLY 21 1HA GLY 21 0.392 -5.775 -0.882 124 HA3 GLY 21 2HA GLY 21 0.071 -6.239 0.782 125 H PHE 22 H PHE 22 -1.712 -4.890 -1.041 126 HA PHE 22 HA PHE 22 -2.497 -2.726 0.690 127 HB2 PHE 22 1HB PHE 22 -1.970 -2.079 -2.213 128 HB3 PHE 22 2HB PHE 22 -2.464 -0.966 -0.942 129 HD1 PHE 22 HD1 PHE 22 -0.836 -0.638 1.017 130 HD2 PHE 22 HD2 PHE 22 0.273 -2.363 -2.712 131 HE1 PHE 22 HE1 PHE 22 1.525 -0.123 1.485 132 HE2 PHE 22 HE2 PHE 22 2.635 -1.852 -2.250 133 HZ PHE 22 HZ PHE 22 3.264 -0.732 -0.149 134 H TYR 23 H TYR 23 -4.655 -2.064 0.373 135 HA TYR 23 HA TYR 23 -6.258 -4.040 -1.055 136 HB2 TYR 23 1HB TYR 23 -7.021 -1.897 0.938 137 HB3 TYR 23 2HB TYR 23 -8.164 -3.004 0.186 138 HD1 TYR 23 HD1 TYR 23 -6.541 -5.516 0.256 139 HD2 TYR 23 HD2 TYR 23 -7.154 -2.505 3.200 140 HE1 TYR 23 HE1 TYR 23 -6.109 -7.168 2.027 141 HE2 TYR 23 HE2 TYR 23 -6.723 -4.149 4.979 142 HH TYR 23 HH TYR 23 -5.675 -6.257 5.323 143 H THR 24 H THR 24 -5.476 -0.636 -1.102 144 HA THR 24 HA THR 24 -7.171 -0.322 -3.495 145 HB THR 24 HB THR 24 -8.189 1.209 -2.141 146 HG1 THR 24 HG1 THR 24 -7.560 2.656 -3.605 147 HG21 THR 24 3HG2 THR 24 -7.161 2.391 -0.303 148 HG22 THR 24 1HG2 THR 24 -5.560 1.838 -0.794 149 HG23 THR 24 2HG2 THR 24 -6.746 0.681 -0.188 150 H ASN 25 H ASN 25 -6.309 0.705 -5.274 151 HA ASN 25 HA ASN 25 -3.566 0.458 -5.737 152 HB2 ASN 25 1HB ASN 25 -5.498 0.633 -7.432 153 HB3 ASN 25 2HB ASN 25 -5.320 2.376 -7.259 154 HD21 ASN 25 1HD2 ASN 25 -4.981 1.360 -9.694 155 HD22 ASN 25 2HD2 ASN 25 -3.314 1.362 -10.147 156 H SER 26 H SER 26 -5.475 3.169 -4.597 157 HA SER 26 HA SER 26 -3.641 5.237 -4.954 158 HB2 SER 26 1HB SER 26 -6.021 5.518 -4.243 159 HB3 SER 26 2HB SER 26 -5.570 4.938 -2.640 160 HG SER 26 HG SER 26 -5.510 7.174 -2.636 161 H GLN 27 H GLN 27 -4.066 3.047 -2.190 162 HA GLN 27 HA GLN 27 -2.020 4.160 -0.601 163 HB2 GLN 27 1HB GLN 27 -3.571 1.622 -0.604 164 HB3 GLN 27 2HB GLN 27 -2.084 1.661 0.334 165 HG2 GLN 27 1HG GLN 27 -4.275 2.246 1.511 166 HG3 GLN 27 2HG GLN 27 -2.883 3.295 1.773 167 HE21 GLN 27 1HE2 GLN 27 -3.874 5.182 2.187 168 HE22 GLN 27 2HE2 GLN 27 -4.917 6.005 1.083 169 H CYS 28 H CYS 28 -2.033 1.334 -2.761 170 HA CYS 28 HA CYS 28 0.509 0.395 -2.407 171 HB2 CYS 28 1HB CYS 28 -1.028 -0.739 -3.875 172 HB3 CYS 28 2HB CYS 28 -1.066 0.634 -4.975 173 HG CYS 28 HG CYS 28 1.378 0.267 -6.063 174 H TYR 29 H TYR 29 -0.498 3.143 -4.390 175 HA TYR 29 HA TYR 29 2.083 3.659 -5.468 176 HB2 TYR 29 1HB TYR 29 -0.205 4.438 -6.354 177 HB3 TYR 29 2HB TYR 29 -0.086 5.725 -5.160 178 HD1 TYR 29 HD2 TYR 29 2.353 6.922 -5.214 179 HD2 TYR 29 HD1 TYR 29 0.452 4.981 -8.490 180 HE1 TYR 29 HE2 TYR 29 3.702 8.255 -6.780 181 HE2 TYR 29 HE1 TYR 29 1.798 6.308 -10.064 182 HH TYR 29 HH TYR 29 4.452 8.268 -9.014 183 H SER 30 H SER 30 0.245 5.025 -2.762 184 HA SER 30 HA SER 30 1.832 7.101 -1.982 185 HB2 SER 30 1HB SER 30 -0.316 6.212 -0.890 186 HB3 SER 30 2HB SER 30 0.739 5.150 0.042 187 HG SER 30 HG SER 30 1.782 7.551 0.205 188 H HIS 31 H HIS 31 2.363 3.667 -1.330 189 HA HIS 31 HA HIS 31 4.799 4.192 0.141 190 HB2 HIS 31 1HB HIS 31 3.782 2.313 1.010 191 HB3 HIS 31 2HB HIS 31 3.208 1.765 -0.562 192 HD1 HIS 31 HD1 HIS 31 5.837 1.218 1.893 193 HD2 HIS 31 HD2 HIS 31 5.338 0.578 -2.181 194 HE1 HIS 31 HE1 HIS 31 7.629 -0.423 1.246 195 H GLN 32 H GLN 32 3.939 2.615 -2.933 196 HA GLN 32 HA GLN 32 6.350 1.834 -3.882 197 HB2 GLN 32 1HB GLN 32 3.925 2.948 -5.188 198 HB3 GLN 32 2HB GLN 32 5.379 2.828 -6.170 199 HG2 GLN 32 1HG GLN 32 5.521 0.431 -5.603 200 HG3 GLN 32 2HG GLN 32 4.003 0.579 -4.719 201 HE21 GLN 32 1HE2 GLN 32 5.274 -0.440 -7.517 202 HE22 GLN 32 2HE2 GLN 32 3.919 -0.238 -8.569 203 H ARG 33 H ARG 33 5.034 5.127 -4.230 204 HA ARG 33 HA ARG 33 7.179 6.284 -5.549 205 HB2 ARG 33 1HB ARG 33 6.237 8.347 -5.036 206 HB3 ARG 33 2HB ARG 33 4.859 7.260 -4.922 207 HG2 ARG 33 1HG ARG 33 4.914 7.288 -2.557 208 HG3 ARG 33 2HG ARG 33 6.491 8.082 -2.538 209 HD2 ARG 33 1HD ARG 33 5.617 10.133 -3.075 210 HD3 ARG 33 2HD ARG 33 4.228 9.441 -3.913 211 HE ARG 33 HE ARG 33 3.752 8.746 -1.366 212 HH11 ARG 33 1HH1 ARG 33 4.634 11.780 -2.828 213 HH12 ARG 33 2HH1 ARG 33 3.804 12.739 -1.648 214 HH21 ARG 33 1HH2 ARG 33 2.655 9.998 0.194 215 HH22 ARG 33 2HH2 ARG 33 2.680 11.725 0.071 216 H SER 34 H SER 34 6.720 5.669 -2.114 217 HA SER 34 HA SER 34 8.730 7.184 -1.003 218 HB2 SER 34 1HB SER 34 7.048 5.669 0.180 219 HB3 SER 34 2HB SER 34 8.173 4.347 -0.134 220 HG SER 34 HG SER 34 9.254 6.633 1.003 221 H HIS 35 H HIS 35 9.020 3.858 -2.245 222 HA HIS 35 HA HIS 35 11.569 3.200 -1.778 223 HB2 HIS 35 1HB HIS 35 9.839 2.813 -4.169 224 HB3 HIS 35 2HB HIS 35 11.544 2.402 -4.327 225 HD1 HIS 35 HD1 HIS 35 12.392 0.732 -2.257 226 HD2 HIS 35 HD2 HIS 35 8.356 0.758 -3.242 227 HE1 HIS 35 HE1 HIS 35 11.459 -1.409 -1.324 228 H SER 36 H SER 36 10.735 4.999 -4.747 229 HA SER 36 HA SER 36 13.454 5.770 -5.186 230 HB2 SER 36 1HB SER 36 12.670 6.859 -7.145 231 HB3 SER 36 2HB SER 36 11.658 5.426 -6.970 232 HG SER 36 HG SER 36 10.172 6.941 -7.244 233 H GLY 37 H GLY 37 14.301 7.911 -5.181 234 HA2 GLY 37 1HA GLY 37 13.939 10.285 -4.685 235 HA3 GLY 37 2HA GLY 37 12.837 9.773 -3.415 236 H GLU 38 H GLU 38 13.643 9.097 -1.442 237 HA GLU 38 HA GLU 38 16.448 9.808 -0.977 238 HB2 GLU 38 1HB GLU 38 15.880 10.143 1.307 239 HB3 GLU 38 2HB GLU 38 14.602 10.890 0.359 240 HG2 GLU 38 1HG GLU 38 14.402 8.129 1.529 241 HG3 GLU 38 2HG GLU 38 13.842 9.584 2.351 242 H LYS 39 H LYS 39 17.929 8.388 -0.222 243 HA LYS 39 HA LYS 39 17.042 5.714 0.585 244 HB2 LYS 39 1HB LYS 39 19.005 6.348 -1.612 245 HB3 LYS 39 2HB LYS 39 18.987 4.791 -0.795 246 HG2 LYS 39 1HG LYS 39 17.689 4.362 -2.636 247 HG3 LYS 39 2HG LYS 39 16.464 4.790 -1.438 248 HD2 LYS 39 1HD LYS 39 15.777 6.086 -3.197 249 HD3 LYS 39 2HD LYS 39 16.869 7.215 -2.393 250 HE2 LYS 39 1HE LYS 39 18.601 6.788 -3.949 251 HE3 LYS 39 2HE LYS 39 17.765 5.380 -4.602 252 HZ1 LYS 39 3HZ LYS 39 15.952 7.195 -5.119 253 HZ2 LYS 39 1HZ LYS 39 17.241 6.909 -6.177 254 HZ3 LYS 39 2HZ LYS 39 17.297 8.220 -5.111 255 HA PRO 40 HA PRO 40 20.013 6.350 3.780 256 HB2 PRO 40 1HB PRO 40 20.269 3.776 4.605 257 HB3 PRO 40 2HB PRO 40 18.848 4.763 4.964 258 HG2 PRO 40 1HG PRO 40 19.231 2.700 2.830 259 HG3 PRO 40 2HG PRO 40 17.834 2.968 3.888 260 HD2 PRO 40 1HD PRO 40 17.907 3.835 1.324 261 HD3 PRO 40 2HD PRO 40 17.034 4.705 2.602 262 H SER 41 H SER 41 22.082 5.065 4.589 263 HA SER 41 HA SER 41 23.938 5.160 2.405 264 HB2 SER 41 1HB SER 41 24.437 4.302 5.264 265 HB3 SER 41 2HB SER 41 25.651 4.800 4.086 266 HG SER 41 HG SER 41 25.216 6.810 4.515 267 H GLY 42 H GLY 42 24.611 3.534 1.170 268 HA2 GLY 42 1HA GLY 42 24.085 0.781 2.108 269 HA3 GLY 42 2HA GLY 42 23.938 1.274 0.428 270 HA PRO 43 HA PRO 43 28.276 -0.351 1.533 271 HB2 PRO 43 1HB PRO 43 28.089 -2.801 0.380 272 HB3 PRO 43 2HB PRO 43 27.682 -2.503 2.074 273 HG2 PRO 43 1HG PRO 43 25.870 -2.737 -0.297 274 HG3 PRO 43 2HG PRO 43 25.677 -3.417 1.329 275 HD2 PRO 43 1HD PRO 43 24.390 -1.174 0.526 276 HD3 PRO 43 2HD PRO 43 24.906 -1.429 2.205 277 H SER 44 H SER 44 29.262 0.978 0.077 278 HA SER 44 HA SER 44 28.730 0.785 -2.750 279 HB2 SER 44 1HB SER 44 30.536 2.477 -1.048 280 HB3 SER 44 2HB SER 44 30.747 2.437 -2.798 281 HG SER 44 HG SER 44 29.272 3.953 -2.693 282 H SER 45 H SER 45 29.551 -1.669 -1.854 283 HA SER 45 HA SER 45 32.335 -2.124 -2.097 284 HB2 SER 45 1HB SER 45 30.900 -3.731 -0.960 285 HB3 SER 45 2HB SER 45 30.002 -4.022 -2.450 286 HG SER 45 HG SER 45 31.546 -5.288 -3.132 287 H GLY 46 H GLY 46 29.647 -2.324 -4.393 288 HA2 GLY 46 1HA GLY 46 29.742 -1.985 -6.696 289 HA3 GLY 46 2HA GLY 46 31.496 -1.943 -6.592
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