NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14344 | 1wjq | 10037 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 24.496 -20.776 11.693 2 HA2 GLY 1 1HA GLY 1 26.112 -19.703 10.120 3 HA3 GLY 1 2HA GLY 1 24.734 -18.802 9.506 4 H SER 2 H SER 2 24.506 -16.812 10.261 5 HA SER 2 HA SER 2 25.041 -14.917 11.444 6 HB2 SER 2 1HB SER 2 24.252 -15.027 13.798 7 HB3 SER 2 2HB SER 2 23.105 -15.743 12.667 8 HG SER 2 HG SER 2 24.448 -16.893 14.732 9 H SER 3 H SER 3 27.354 -16.334 10.887 10 HA SER 3 HA SER 3 28.927 -15.921 13.345 11 HB2 SER 3 1HB SER 3 28.667 -18.336 12.353 12 HB3 SER 3 2HB SER 3 29.859 -17.775 11.179 13 HG SER 3 HG SER 3 31.323 -18.039 12.648 14 H GLY 4 H GLY 4 29.569 -13.837 12.932 15 HA2 GLY 4 1HA GLY 4 31.732 -12.924 11.979 16 HA3 GLY 4 2HA GLY 4 31.063 -13.395 10.424 17 H SER 5 H SER 5 30.928 -11.398 9.500 18 HA SER 5 HA SER 5 28.737 -9.734 10.367 19 HB2 SER 5 1HB SER 5 31.590 -8.864 10.641 20 HB3 SER 5 2HB SER 5 30.367 -7.672 10.203 21 HG SER 5 HG SER 5 30.527 -7.726 12.428 22 H SER 6 H SER 6 28.102 -8.183 8.781 23 HA SER 6 HA SER 6 29.497 -8.046 6.265 24 HB2 SER 6 1HB SER 6 27.765 -9.041 4.895 25 HB3 SER 6 2HB SER 6 28.272 -10.218 6.106 26 HG SER 6 HG SER 6 26.376 -9.080 7.309 27 H GLY 7 H GLY 7 29.431 -5.892 6.076 28 HA2 GLY 7 1HA GLY 7 26.824 -4.556 6.457 29 HA3 GLY 7 2HA GLY 7 28.378 -3.783 6.733 30 H VAL 8 H VAL 8 25.946 -3.402 4.843 31 HA VAL 8 HA VAL 8 27.570 -2.585 2.571 32 HB VAL 8 HB VAL 8 26.083 -3.596 0.915 33 HG11 VAL 8 1HG1 VAL 8 26.942 -5.789 1.008 34 HG12 VAL 8 2HG1 VAL 8 28.132 -4.780 1.834 35 HG13 VAL 8 3HG1 VAL 8 27.012 -5.771 2.770 36 HG21 VAL 8 1HG2 VAL 8 24.108 -3.676 2.503 37 HG22 VAL 8 2HG2 VAL 8 24.323 -5.076 1.453 38 HG23 VAL 8 3HG2 VAL 8 24.810 -5.160 3.146 39 H LYS 9 H LYS 9 26.191 -1.333 0.964 40 HA LYS 9 HA LYS 9 24.199 0.250 2.450 41 HB2 LYS 9 1HB LYS 9 26.019 1.115 0.194 42 HB3 LYS 9 2HB LYS 9 24.815 2.133 0.973 43 HG2 LYS 9 1HG LYS 9 26.726 2.782 2.056 44 HG3 LYS 9 2HG LYS 9 26.123 1.532 3.147 45 HD2 LYS 9 1HD LYS 9 27.607 -0.095 1.927 46 HD3 LYS 9 2HD LYS 9 28.319 1.291 1.098 47 HE2 LYS 9 1HE LYS 9 28.180 1.134 4.093 48 HE3 LYS 9 2HE LYS 9 29.506 0.408 3.188 49 HZ1 LYS 9 1HZ LYS 9 30.308 2.435 2.554 50 HZ2 LYS 9 2HZ LYS 9 29.673 2.841 4.068 51 HZ3 LYS 9 3HZ LYS 9 28.807 3.207 2.661 52 HA PRO 10 HA PRO 10 21.160 -0.968 -0.492 53 HB2 PRO 10 1HB PRO 10 19.426 1.102 -0.206 54 HB3 PRO 10 2HB PRO 10 19.608 -0.173 1.005 55 HG2 PRO 10 1HG PRO 10 20.784 2.580 0.962 56 HG3 PRO 10 2HG PRO 10 20.053 1.696 2.315 57 HD2 PRO 10 1HD PRO 10 22.733 1.895 1.983 58 HD3 PRO 10 2HD PRO 10 21.965 0.470 2.710 59 HA PRO 11 HA PRO 11 22.123 1.116 -4.262 60 HB2 PRO 11 1HB PRO 11 20.038 0.247 -5.769 61 HB3 PRO 11 2HB PRO 11 21.399 -0.789 -5.323 62 HG2 PRO 11 1HG PRO 11 18.678 -0.600 -4.089 63 HG3 PRO 11 2HG PRO 11 19.637 -2.043 -4.468 64 HD2 PRO 11 1HD PRO 11 19.477 -1.014 -1.968 65 HD3 PRO 11 2HD PRO 11 20.932 -1.833 -2.573 66 H HIS 12 H HIS 12 18.660 1.194 -3.394 67 HA HIS 12 HA HIS 12 18.638 4.047 -4.131 68 HB2 HIS 12 1HB HIS 12 16.068 3.434 -4.520 69 HB3 HIS 12 2HB HIS 12 17.272 3.275 -5.795 70 HD1 HIS 12 1HD HIS 12 15.399 1.173 -3.273 71 HD2 HIS 12 2HD HIS 12 17.610 0.733 -6.762 72 HE1 HIS 12 1HE HIS 12 15.128 -1.236 -3.941 73 HE2 HIS 12 2HE HIS 12 16.543 -1.499 -6.008 74 H GLY 13 H GLY 13 17.157 1.525 -2.123 75 HA2 GLY 13 1HA GLY 13 17.161 2.237 0.316 76 HA3 GLY 13 2HA GLY 13 16.272 3.638 -0.262 77 H PHE 14 H PHE 14 15.748 0.487 -1.644 78 HA PHE 14 HA PHE 14 13.195 0.299 -0.188 79 HB2 PHE 14 1HB PHE 14 13.741 -0.045 -3.129 80 HB3 PHE 14 2HB PHE 14 12.332 -0.773 -2.366 81 HD1 PHE 14 1HD PHE 14 14.055 2.538 -2.450 82 HD2 PHE 14 2HD PHE 14 10.374 0.402 -2.501 83 HE1 PHE 14 1HE PHE 14 12.833 4.659 -2.699 84 HE2 PHE 14 2HE PHE 14 9.146 2.519 -2.751 85 HZ PHE 14 HZ PHE 14 10.375 4.651 -2.851 86 H GLN 15 H GLN 15 12.281 -1.891 -0.117 87 HA GLN 15 HA GLN 15 14.328 -3.994 -0.321 88 HB2 GLN 15 1HB GLN 15 12.354 -3.688 1.948 89 HB3 GLN 15 2HB GLN 15 13.559 -4.958 1.781 90 HG2 GLN 15 1HG GLN 15 15.293 -3.102 1.807 91 HG3 GLN 15 2HG GLN 15 13.989 -2.046 2.349 92 HE21 GLN 15 1HE2 GLN 15 15.907 -4.863 3.140 93 HE22 GLN 15 2HE2 GLN 15 15.607 -4.829 4.841 94 H LYS 16 H LYS 16 13.295 -6.225 -0.140 95 HA LYS 16 HA LYS 16 10.962 -6.263 -1.906 96 HB2 LYS 16 1HB LYS 16 13.132 -8.231 -1.264 97 HB3 LYS 16 2HB LYS 16 11.618 -8.791 -1.962 98 HG2 LYS 16 1HG LYS 16 11.999 -7.750 -3.972 99 HG3 LYS 16 2HG LYS 16 13.076 -6.543 -3.265 100 HD2 LYS 16 1HD LYS 16 13.795 -9.460 -3.394 101 HD3 LYS 16 2HD LYS 16 14.147 -8.344 -4.715 102 HE2 LYS 16 1HE LYS 16 15.727 -7.203 -3.511 103 HE3 LYS 16 2HE LYS 16 14.974 -7.579 -1.962 104 HZ1 LYS 16 1HZ LYS 16 17.090 -8.909 -3.257 105 HZ2 LYS 16 2HZ LYS 16 15.799 -9.986 -3.078 106 HZ3 LYS 16 3HZ LYS 16 16.440 -9.201 -1.723 107 H LYS 17 H LYS 17 9.237 -7.798 -1.522 108 HA LYS 17 HA LYS 17 7.620 -8.774 -0.255 109 HB2 LYS 17 1HB LYS 17 9.701 -9.174 1.890 110 HB3 LYS 17 2HB LYS 17 8.248 -10.123 1.603 111 HG2 LYS 17 1HG LYS 17 9.262 -10.796 -0.601 112 HG3 LYS 17 2HG LYS 17 10.761 -10.051 -0.042 113 HD2 LYS 17 1HD LYS 17 9.397 -12.024 1.726 114 HD3 LYS 17 2HD LYS 17 10.290 -12.619 0.324 115 HE2 LYS 17 1HE LYS 17 12.306 -11.560 1.093 116 HE3 LYS 17 2HE LYS 17 11.439 -10.764 2.405 117 HZ1 LYS 17 1HZ LYS 17 10.915 -13.441 2.715 118 HZ2 LYS 17 2HZ LYS 17 11.976 -12.507 3.644 119 HZ3 LYS 17 3HZ LYS 17 12.558 -13.378 2.316 120 H MET 18 H MET 18 8.292 -5.902 -0.022 121 HA MET 18 HA MET 18 7.170 -5.394 2.655 122 HB2 MET 18 1HB MET 18 8.394 -3.438 2.837 123 HB3 MET 18 2HB MET 18 9.521 -4.483 1.982 124 HG2 MET 18 1HG MET 18 8.975 -3.443 -0.114 125 HG3 MET 18 2HG MET 18 7.714 -2.480 0.653 126 HE1 MET 18 1HE MET 18 8.855 -0.884 -0.857 127 HE2 MET 18 2HE MET 18 9.811 0.385 -0.091 128 HE3 MET 18 3HE MET 18 10.614 -0.902 -0.992 129 H LYS 19 H LYS 19 6.200 -2.952 2.517 130 HA LYS 19 HA LYS 19 4.305 -2.986 0.259 131 HB2 LYS 19 1HB LYS 19 3.838 -2.308 3.161 132 HB3 LYS 19 2HB LYS 19 2.707 -1.867 1.889 133 HG2 LYS 19 1HG LYS 19 3.576 -4.681 2.518 134 HG3 LYS 19 2HG LYS 19 2.078 -3.932 3.074 135 HD2 LYS 19 1HD LYS 19 1.387 -3.606 0.742 136 HD3 LYS 19 2HD LYS 19 2.880 -4.374 0.197 137 HE2 LYS 19 1HE LYS 19 0.982 -5.778 2.049 138 HE3 LYS 19 2HE LYS 19 0.741 -5.798 0.303 139 HZ1 LYS 19 1HZ LYS 19 2.197 -7.440 0.179 140 HZ2 LYS 19 2HZ LYS 19 2.480 -7.375 1.845 141 HZ3 LYS 19 3HZ LYS 19 3.409 -6.432 0.792 142 H LEU 20 H LEU 20 3.567 -0.955 -0.515 143 HA LEU 20 HA LEU 20 4.564 1.512 0.491 144 HB2 LEU 20 1HB LEU 20 6.278 2.019 -0.912 145 HB3 LEU 20 2HB LEU 20 6.506 0.276 -0.790 146 HG LEU 20 HG LEU 20 4.952 0.323 -2.954 147 HD11 LEU 20 1HD1 LEU 20 6.172 2.384 -4.214 148 HD12 LEU 20 2HD1 LEU 20 5.909 3.079 -2.615 149 HD13 LEU 20 3HD1 LEU 20 4.544 2.452 -3.539 150 HD21 LEU 20 1HD2 LEU 20 6.943 -0.783 -3.200 151 HD22 LEU 20 2HD2 LEU 20 7.899 0.572 -2.599 152 HD23 LEU 20 3HD2 LEU 20 7.230 0.620 -4.230 153 H GLU 21 H GLU 21 3.529 3.265 -0.412 154 HA GLU 21 HA GLU 21 1.220 2.647 -2.034 155 HB2 GLU 21 1HB GLU 21 2.194 5.244 -0.833 156 HB3 GLU 21 2HB GLU 21 0.682 5.063 -1.711 157 HG2 GLU 21 1HG GLU 21 0.041 3.317 -0.012 158 HG3 GLU 21 2HG GLU 21 1.449 3.830 0.917 159 H VAL 22 H VAL 22 1.304 2.595 -4.171 160 HA VAL 22 HA VAL 22 3.271 4.293 -5.556 161 HB VAL 22 HB VAL 22 1.896 1.810 -6.594 162 HG11 VAL 22 1HG1 VAL 22 2.431 2.910 -8.521 163 HG12 VAL 22 2HG1 VAL 22 3.771 3.788 -7.780 164 HG13 VAL 22 3HG1 VAL 22 3.963 2.090 -8.220 165 HG21 VAL 22 1HG2 VAL 22 4.731 2.177 -5.629 166 HG22 VAL 22 2HG2 VAL 22 3.458 1.310 -4.769 167 HG23 VAL 22 3HG2 VAL 22 4.048 0.703 -6.316 168 H VAL 23 H VAL 23 2.643 5.640 -7.193 169 HA VAL 23 HA VAL 23 -0.177 6.308 -7.289 170 HB VAL 23 HB VAL 23 2.232 7.605 -8.565 171 HG11 VAL 23 1HG1 VAL 23 -0.657 8.468 -8.606 172 HG12 VAL 23 2HG1 VAL 23 0.704 9.454 -9.142 173 HG13 VAL 23 3HG1 VAL 23 0.308 7.958 -9.990 174 HG21 VAL 23 1HG2 VAL 23 1.599 7.676 -5.985 175 HG22 VAL 23 2HG2 VAL 23 2.260 9.077 -6.828 176 HG23 VAL 23 3HG2 VAL 23 0.523 8.953 -6.550 177 H ASP 24 H ASP 24 -1.509 5.411 -8.703 178 HA ASP 24 HA ASP 24 -0.836 3.669 -10.733 179 HB2 ASP 24 1HB ASP 24 -3.155 4.301 -9.665 180 HB3 ASP 24 2HB ASP 24 -3.262 5.396 -11.040 181 H LYS 25 H LYS 25 0.459 4.064 -12.400 182 HA LYS 25 HA LYS 25 1.252 6.437 -13.467 183 HB2 LYS 25 1HB LYS 25 0.749 4.144 -15.329 184 HB3 LYS 25 2HB LYS 25 2.113 5.253 -15.277 185 HG2 LYS 25 1HG LYS 25 1.542 2.928 -13.468 186 HG3 LYS 25 2HG LYS 25 2.926 3.175 -14.534 187 HD2 LYS 25 1HD LYS 25 2.329 5.029 -12.245 188 HD3 LYS 25 2HD LYS 25 3.283 3.558 -12.032 189 HE2 LYS 25 1HE LYS 25 5.020 4.341 -13.342 190 HE3 LYS 25 2HE LYS 25 3.992 5.487 -14.201 191 HZ1 LYS 25 1HZ LYS 25 5.010 5.717 -11.426 192 HZ2 LYS 25 2HZ LYS 25 3.826 6.738 -12.069 193 HZ3 LYS 25 3HZ LYS 25 5.378 6.714 -12.742 194 H ARG 26 H ARG 26 -1.365 4.435 -14.843 195 HA ARG 26 HA ARG 26 -2.214 6.285 -16.754 196 HB2 ARG 26 1HB ARG 26 -4.478 5.005 -16.428 197 HB3 ARG 26 2HB ARG 26 -3.084 4.179 -17.110 198 HG2 ARG 26 1HG ARG 26 -3.387 4.056 -14.175 199 HG3 ARG 26 2HG ARG 26 -4.566 3.164 -15.139 200 HD2 ARG 26 1HD ARG 26 -1.701 2.886 -15.862 201 HD3 ARG 26 2HD ARG 26 -2.247 2.104 -14.379 202 HE ARG 26 HE ARG 26 -4.052 1.423 -16.376 203 HH11 ARG 26 2HH1 ARG 26 -0.677 0.958 -15.659 204 HH12 ARG 26 1HH1 ARG 26 -0.575 -0.558 -16.490 205 HH21 ARG 26 2HH2 ARG 26 -3.931 -0.573 -17.473 206 HH22 ARG 26 1HH2 ARG 26 -2.426 -1.428 -17.522 207 H ASN 27 H ASN 27 -2.869 6.062 -13.341 208 HA ASN 27 HA ASN 27 -4.482 8.515 -13.541 209 HB2 ASN 27 1HB ASN 27 -5.014 6.466 -11.408 210 HB3 ASN 27 2HB ASN 27 -6.067 7.749 -11.997 211 HD21 ASN 27 1HD2 ASN 27 -6.263 7.468 -14.579 212 HD22 ASN 27 2HD2 ASN 27 -6.840 5.904 -15.032 213 HA PRO 28 HA PRO 28 -0.957 9.474 -10.816 214 HB2 PRO 28 1HB PRO 28 -0.995 12.132 -11.367 215 HB3 PRO 28 2HB PRO 28 -0.199 10.947 -12.408 216 HG2 PRO 28 1HG PRO 28 -2.892 12.220 -12.703 217 HG3 PRO 28 2HG PRO 28 -1.657 11.915 -13.938 218 HD2 PRO 28 1HD PRO 28 -3.824 10.322 -13.620 219 HD3 PRO 28 2HD PRO 28 -2.254 9.701 -14.169 220 H MET 29 H MET 29 -4.251 10.205 -10.786 221 HA MET 29 HA MET 29 -4.044 11.747 -8.296 222 HB2 MET 29 1HB MET 29 -6.311 11.358 -10.248 223 HB3 MET 29 2HB MET 29 -6.526 12.121 -8.679 224 HG2 MET 29 1HG MET 29 -4.797 13.081 -10.944 225 HG3 MET 29 2HG MET 29 -6.282 13.816 -10.345 226 HE1 MET 29 1HE MET 29 -2.991 14.025 -10.787 227 HE2 MET 29 2HE MET 29 -3.064 15.694 -10.223 228 HE3 MET 29 3HE MET 29 -2.107 14.505 -9.338 229 H PHE 30 H PHE 30 -3.939 8.681 -8.961 230 HA PHE 30 HA PHE 30 -5.656 7.920 -6.699 231 HB2 PHE 30 1HB PHE 30 -5.376 6.449 -9.326 232 HB3 PHE 30 2HB PHE 30 -6.131 5.764 -7.891 233 HD1 PHE 30 2HD PHE 30 -6.342 8.815 -10.028 234 HD2 PHE 30 1HD PHE 30 -8.412 5.910 -7.705 235 HE1 PHE 30 2HE PHE 30 -8.488 9.825 -10.683 236 HE2 PHE 30 1HE PHE 30 -10.561 6.915 -8.357 237 HZ PHE 30 HZ PHE 30 -10.601 8.876 -9.847 238 H ILE 31 H ILE 31 -4.713 6.640 -5.217 239 HA ILE 31 HA ILE 31 -2.138 5.388 -5.904 240 HB ILE 31 HB ILE 31 -2.777 6.854 -3.341 241 HG12 ILE 31 1HG1 ILE 31 -0.504 7.517 -5.173 242 HG13 ILE 31 2HG1 ILE 31 -2.122 8.080 -5.579 243 HG21 ILE 31 1HG2 ILE 31 -0.287 6.378 -2.931 244 HG22 ILE 31 2HG2 ILE 31 -1.436 5.064 -2.682 245 HG23 ILE 31 3HG2 ILE 31 -0.470 5.122 -4.156 246 HD11 ILE 31 1HD1 ILE 31 -0.393 8.816 -3.262 247 HD12 ILE 31 2HD1 ILE 31 -1.233 9.857 -4.412 248 HD13 ILE 31 3HD1 ILE 31 -2.143 9.002 -3.167 249 H ARG 32 H ARG 32 -1.709 3.411 -4.976 250 HA ARG 32 HA ARG 32 -3.636 2.300 -3.084 251 HB2 ARG 32 1HB ARG 32 -2.933 0.941 -5.692 252 HB3 ARG 32 2HB ARG 32 -3.939 0.267 -4.417 253 HG2 ARG 32 1HG ARG 32 -5.717 1.640 -4.903 254 HG3 ARG 32 2HG ARG 32 -4.698 2.870 -5.654 255 HD2 ARG 32 1HD ARG 32 -4.306 1.395 -7.557 256 HD3 ARG 32 2HD ARG 32 -5.292 0.144 -6.801 257 HE ARG 32 HE ARG 32 -6.222 2.408 -8.266 258 HH11 ARG 32 2HH1 ARG 32 -7.004 0.239 -5.657 259 HH12 ARG 32 1HH1 ARG 32 -8.715 0.457 -5.815 260 HH21 ARG 32 2HH2 ARG 32 -8.474 2.703 -8.484 261 HH22 ARG 32 1HH2 ARG 32 -9.550 1.858 -7.423 262 H VAL 33 H VAL 33 -2.903 0.089 -2.323 263 HA VAL 33 HA VAL 33 -0.227 0.277 -1.401 264 HB VAL 33 HB VAL 33 -2.183 -2.021 -1.276 265 HG11 VAL 33 1HG1 VAL 33 0.068 -2.884 -1.096 266 HG12 VAL 33 2HG1 VAL 33 0.469 -1.666 0.117 267 HG13 VAL 33 3HG1 VAL 33 -0.711 -2.924 0.486 268 HG21 VAL 33 1HG2 VAL 33 -1.645 -0.906 1.256 269 HG22 VAL 33 2HG2 VAL 33 -1.958 0.441 0.161 270 HG23 VAL 33 3HG2 VAL 33 -3.151 -0.845 0.341 271 H ALA 34 H ALA 34 1.529 -1.143 -1.792 272 HA ALA 34 HA ALA 34 1.374 -2.796 -4.205 273 HB1 ALA 34 1HB ALA 34 3.142 -1.775 -5.309 274 HB2 ALA 34 2HB ALA 34 2.236 -0.406 -4.663 275 HB3 ALA 34 3HB ALA 34 3.706 -0.951 -3.855 276 H THR 35 H THR 35 3.386 -4.133 -4.476 277 HA THR 35 HA THR 35 4.703 -4.712 -1.915 278 HB THR 35 HB THR 35 3.533 -6.830 -3.730 279 HG1 THR 35 1HG THR 35 2.711 -5.809 -1.203 280 HG21 THR 35 1HG2 THR 35 4.463 -7.437 -0.985 281 HG22 THR 35 2HG2 THR 35 5.710 -7.133 -2.194 282 HG23 THR 35 3HG2 THR 35 4.531 -8.419 -2.447 283 H VAL 36 H VAL 36 6.803 -4.425 -2.255 284 HA VAL 36 HA VAL 36 8.033 -4.425 -4.793 285 HB VAL 36 HB VAL 36 9.431 -4.793 -2.143 286 HG11 VAL 36 1HG1 VAL 36 10.321 -4.478 -4.861 287 HG12 VAL 36 2HG1 VAL 36 10.896 -3.143 -3.859 288 HG13 VAL 36 3HG1 VAL 36 11.260 -4.809 -3.406 289 HG21 VAL 36 1HG2 VAL 36 7.968 -2.898 -1.930 290 HG22 VAL 36 2HG2 VAL 36 9.620 -2.315 -2.132 291 HG23 VAL 36 3HG2 VAL 36 8.495 -2.262 -3.489 292 H ALA 37 H ALA 37 7.997 -6.243 -5.987 293 HA ALA 37 HA ALA 37 8.397 -8.847 -4.816 294 HB1 ALA 37 1HB ALA 37 8.576 -8.741 -7.712 295 HB2 ALA 37 2HB ALA 37 7.441 -9.610 -6.679 296 HB3 ALA 37 3HB ALA 37 7.142 -7.922 -7.093 297 H ASP 38 H ASP 38 10.165 -6.840 -7.171 298 HA ASP 38 HA ASP 38 12.656 -8.090 -6.264 299 HB2 ASP 38 1HB ASP 38 11.619 -9.053 -8.495 300 HB3 ASP 38 2HB ASP 38 12.319 -7.595 -9.193 301 H THR 39 H THR 39 14.311 -6.697 -6.048 302 HA THR 39 HA THR 39 13.837 -3.917 -6.882 303 HB THR 39 HB THR 39 15.506 -3.289 -5.173 304 HG1 THR 39 1HG THR 39 16.645 -5.324 -5.183 305 HG21 THR 39 1HG2 THR 39 14.111 -4.275 -3.166 306 HG22 THR 39 2HG2 THR 39 13.043 -4.813 -4.462 307 HG23 THR 39 3HG2 THR 39 13.400 -3.097 -4.269 308 H ASP 40 H ASP 40 14.846 -3.380 -8.699 309 HA ASP 40 HA ASP 40 17.226 -4.774 -9.567 310 HB2 ASP 40 1HB ASP 40 15.227 -3.846 -11.005 311 HB3 ASP 40 2HB ASP 40 16.157 -2.351 -10.961 312 H ASP 41 H ASP 41 18.869 -3.103 -10.715 313 HA ASP 41 HA ASP 41 20.478 -2.060 -8.764 314 HB2 ASP 41 1HB ASP 41 20.245 -0.870 -11.532 315 HB3 ASP 41 2HB ASP 41 21.664 -0.880 -10.488 316 H HIS 42 H HIS 42 18.280 -0.138 -10.816 317 HA HIS 42 HA HIS 42 18.025 1.772 -8.594 318 HB2 HIS 42 1HB HIS 42 17.958 2.788 -11.401 319 HB3 HIS 42 2HB HIS 42 18.428 3.617 -9.920 320 HD1 HIS 42 1HD HIS 42 20.878 3.646 -9.339 321 HD2 HIS 42 2HD HIS 42 19.999 1.074 -12.481 322 HE1 HIS 42 1HE HIS 42 23.104 2.927 -10.262 323 HE2 HIS 42 2HE HIS 42 22.546 1.439 -12.216 324 H ARG 43 H ARG 43 16.308 -0.424 -9.457 325 HA ARG 43 HA ARG 43 13.849 1.106 -9.736 326 HB2 ARG 43 1HB ARG 43 14.383 -1.239 -11.559 327 HB3 ARG 43 2HB ARG 43 13.001 -0.152 -11.587 328 HG2 ARG 43 1HG ARG 43 14.770 1.683 -12.055 329 HG3 ARG 43 2HG ARG 43 15.799 0.324 -12.513 330 HD2 ARG 43 1HD ARG 43 14.850 0.774 -14.537 331 HD3 ARG 43 2HD ARG 43 13.656 -0.359 -13.904 332 HE ARG 43 HE ARG 43 13.010 2.319 -13.207 333 HH11 ARG 43 2HH1 ARG 43 12.943 0.041 -15.840 334 HH12 ARG 43 1HH1 ARG 43 11.604 0.801 -16.635 335 HH21 ARG 43 2HH2 ARG 43 11.246 3.327 -14.245 336 HH22 ARG 43 1HH2 ARG 43 10.640 2.670 -15.727 337 H VAL 44 H VAL 44 11.910 -0.471 -9.596 338 HA VAL 44 HA VAL 44 12.417 -2.905 -8.120 339 HB VAL 44 HB VAL 44 11.099 -2.257 -6.151 340 HG11 VAL 44 1HG1 VAL 44 13.470 -0.465 -6.665 341 HG12 VAL 44 2HG1 VAL 44 12.789 -0.838 -5.081 342 HG13 VAL 44 3HG1 VAL 44 13.527 -2.115 -6.048 343 HG21 VAL 44 1HG2 VAL 44 9.761 -0.486 -6.307 344 HG22 VAL 44 2HG2 VAL 44 11.197 0.527 -6.157 345 HG23 VAL 44 3HG2 VAL 44 10.589 0.090 -7.754 346 H LYS 45 H LYS 45 10.982 -4.339 -8.802 347 HA LYS 45 HA LYS 45 8.735 -3.604 -10.383 348 HB2 LYS 45 1HB LYS 45 10.104 -5.750 -10.537 349 HB3 LYS 45 2HB LYS 45 9.204 -6.308 -9.132 350 HG2 LYS 45 1HG LYS 45 7.157 -6.285 -10.320 351 HG3 LYS 45 2HG LYS 45 7.875 -5.404 -11.672 352 HD2 LYS 45 1HD LYS 45 9.391 -7.384 -12.015 353 HD3 LYS 45 2HD LYS 45 8.408 -8.249 -10.832 354 HE2 LYS 45 1HE LYS 45 6.438 -7.454 -12.385 355 HE3 LYS 45 2HE LYS 45 7.721 -7.350 -13.589 356 HZ1 LYS 45 1HZ LYS 45 6.781 -9.737 -12.119 357 HZ2 LYS 45 2HZ LYS 45 8.282 -9.708 -12.897 358 HZ3 LYS 45 3HZ LYS 45 6.862 -9.497 -13.792 359 H VAL 46 H VAL 46 7.123 -2.520 -9.405 360 HA VAL 46 HA VAL 46 6.212 -3.280 -6.755 361 HB VAL 46 HB VAL 46 4.518 -1.410 -7.177 362 HG11 VAL 46 1HG1 VAL 46 6.972 -1.384 -6.098 363 HG12 VAL 46 2HG1 VAL 46 7.213 -0.219 -7.402 364 HG13 VAL 46 3HG1 VAL 46 5.948 0.048 -6.202 365 HG21 VAL 46 1HG2 VAL 46 5.467 -1.631 -9.772 366 HG22 VAL 46 2HG2 VAL 46 4.453 -0.339 -9.131 367 HG23 VAL 46 3HG2 VAL 46 6.206 -0.149 -9.166 368 H HIS 47 H HIS 47 4.787 -4.857 -6.491 369 HA HIS 47 HA HIS 47 2.909 -5.464 -8.666 370 HB2 HIS 47 1HB HIS 47 4.004 -7.452 -8.202 371 HB3 HIS 47 2HB HIS 47 4.141 -7.096 -6.483 372 HD1 HIS 47 1HD HIS 47 2.100 -8.909 -8.911 373 HD2 HIS 47 2HD HIS 47 1.648 -7.481 -5.036 374 HE1 HIS 47 1HE HIS 47 0.100 -10.115 -7.979 375 HE2 HIS 47 2HE HIS 47 -0.205 -9.172 -5.663 376 H PHE 48 H PHE 48 0.874 -4.834 -8.454 377 HA PHE 48 HA PHE 48 -0.095 -3.781 -5.958 378 HB2 PHE 48 1HB PHE 48 -1.296 -4.066 -8.706 379 HB3 PHE 48 2HB PHE 48 -2.240 -3.489 -7.337 380 HD1 PHE 48 1HD PHE 48 1.236 -2.817 -8.519 381 HD2 PHE 48 2HD PHE 48 -2.578 -1.229 -7.494 382 HE1 PHE 48 1HE PHE 48 2.086 -0.540 -8.898 383 HE2 PHE 48 2HE PHE 48 -1.734 1.051 -7.872 384 HZ PHE 48 HZ PHE 48 0.601 1.398 -8.576 385 H ASP 49 H ASP 49 -0.634 -5.185 -4.411 386 HA ASP 49 HA ASP 49 -1.239 -7.807 -4.498 387 HB2 ASP 49 1HB ASP 49 -1.080 -6.556 -2.403 388 HB3 ASP 49 2HB ASP 49 -2.615 -5.762 -2.744 389 H GLY 50 H GLY 50 -2.620 -8.966 -5.658 390 HA2 GLY 50 1HA GLY 50 -4.848 -9.664 -6.144 391 HA3 GLY 50 2HA GLY 50 -5.379 -8.001 -5.944 392 H TRP 51 H TRP 51 -4.268 -6.455 -7.587 393 HA TRP 51 HA TRP 51 -5.237 -6.858 -10.080 394 HB2 TRP 51 1HB TRP 51 -2.714 -5.382 -9.311 395 HB3 TRP 51 2HB TRP 51 -3.469 -5.269 -10.898 396 HD1 TRP 51 HD TRP 51 -4.412 -4.591 -7.194 397 HE1 TRP 51 1HE TRP 51 -6.029 -2.590 -7.145 398 HE3 TRP 51 3HE TRP 51 -4.897 -3.816 -12.224 399 HZ2 TRP 51 2HZ TRP 51 -7.339 -0.906 -8.994 400 HZ3 TRP 51 3HZ TRP 51 -6.351 -1.990 -13.001 401 HH2 TRP 51 HH TRP 51 -7.546 -0.566 -11.418 402 H ASN 52 H ASN 52 -4.863 -8.200 -11.715 403 HA ASN 52 HA ASN 52 -3.311 -10.390 -11.744 404 HB2 ASN 52 1HB ASN 52 -4.950 -9.664 -13.526 405 HB3 ASN 52 2HB ASN 52 -3.654 -8.696 -14.222 406 HD21 ASN 52 1HD2 ASN 52 -3.947 -11.982 -12.906 407 HD22 ASN 52 2HD2 ASN 52 -3.212 -12.769 -14.258 408 H ASN 53 H ASN 53 -1.216 -10.873 -11.724 409 HA ASN 53 HA ASN 53 0.857 -9.249 -11.256 410 HB2 ASN 53 1HB ASN 53 0.826 -11.752 -12.941 411 HB3 ASN 53 2HB ASN 53 2.321 -10.939 -12.487 412 HD21 ASN 53 1HD2 ASN 53 2.915 -12.861 -11.388 413 HD22 ASN 53 2HD2 ASN 53 2.274 -13.215 -9.824 414 H CYS 54 H CYS 54 -0.303 -10.066 -14.510 415 HA CYS 54 HA CYS 54 1.473 -8.943 -16.170 416 HB2 CYS 54 1HB CYS 54 -0.583 -9.879 -17.018 417 HB3 CYS 54 2HB CYS 54 -1.528 -8.596 -16.271 418 HG CYS 54 HG CYS 54 0.712 -7.267 -18.279 419 H TYR 55 H TYR 55 -0.937 -7.103 -14.324 420 HA TYR 55 HA TYR 55 -0.441 -4.566 -15.282 421 HB2 TYR 55 1HB TYR 55 -1.399 -5.645 -12.673 422 HB3 TYR 55 2HB TYR 55 -0.966 -3.940 -12.751 423 HD1 TYR 55 1HD TYR 55 -2.145 -2.464 -14.420 424 HD2 TYR 55 2HD TYR 55 -3.445 -6.422 -13.555 425 HE1 TYR 55 1HE TYR 55 -4.348 -1.944 -15.382 426 HE2 TYR 55 2HE TYR 55 -5.651 -5.914 -14.517 427 HH TYR 55 HH TYR 55 -6.809 -4.428 -15.786 428 H ASP 56 H ASP 56 1.249 -6.292 -12.685 429 HA ASP 56 HA ASP 56 2.898 -4.495 -11.595 430 HB2 ASP 56 1HB ASP 56 3.944 -7.109 -12.696 431 HB3 ASP 56 2HB ASP 56 4.573 -6.208 -11.319 432 H TYR 57 H TYR 57 4.790 -3.397 -12.055 433 HA TYR 57 HA TYR 57 5.989 -3.624 -14.687 434 HB2 TYR 57 1HB TYR 57 5.773 -1.082 -14.978 435 HB3 TYR 57 2HB TYR 57 4.347 -2.059 -15.308 436 HD1 TYR 57 2HD TYR 57 5.947 -0.109 -12.559 437 HD2 TYR 57 1HD TYR 57 2.328 -1.484 -14.322 438 HE1 TYR 57 2HE TYR 57 4.661 1.240 -10.954 439 HE2 TYR 57 1HE TYR 57 1.031 -0.138 -12.723 440 HH TYR 57 HH TYR 57 2.302 1.153 -9.951 441 H TRP 58 H TRP 58 7.998 -2.460 -14.872 442 HA TRP 58 HA TRP 58 9.413 -2.372 -12.358 443 HB2 TRP 58 1HB TRP 58 10.182 -2.236 -15.245 444 HB3 TRP 58 2HB TRP 58 11.320 -1.652 -14.033 445 HD1 TRP 58 HD TRP 58 10.253 -4.755 -15.735 446 HE1 TRP 58 1HE TRP 58 11.318 -6.811 -14.612 447 HE3 TRP 58 3HE TRP 58 11.974 -2.545 -11.458 448 HZ2 TRP 58 2HZ TRP 58 12.703 -7.417 -12.229 449 HZ3 TRP 58 3HZ TRP 58 13.159 -3.933 -9.808 450 HH2 TRP 58 HH TRP 58 13.514 -6.319 -10.186 451 H ILE 59 H ILE 59 9.082 -0.611 -11.141 452 HA ILE 59 HA ILE 59 9.157 2.025 -12.449 453 HB ILE 59 HB ILE 59 7.119 1.360 -11.068 454 HG12 ILE 59 1HG1 ILE 59 8.505 3.840 -10.061 455 HG13 ILE 59 2HG1 ILE 59 7.894 3.717 -11.707 456 HG21 ILE 59 1HG2 ILE 59 7.375 1.735 -8.616 457 HG22 ILE 59 2HG2 ILE 59 8.184 0.287 -9.215 458 HG23 ILE 59 3HG2 ILE 59 9.123 1.735 -8.851 459 HD11 ILE 59 1HD1 ILE 59 6.491 4.671 -9.600 460 HD12 ILE 59 2HD1 ILE 59 5.772 4.001 -11.065 461 HD13 ILE 59 3HD1 ILE 59 5.961 2.990 -9.633 462 H ASP 60 H ASP 60 10.537 3.610 -11.730 463 HA ASP 60 HA ASP 60 12.970 2.776 -10.551 464 HB2 ASP 60 1HB ASP 60 11.882 5.553 -11.058 465 HB3 ASP 60 2HB ASP 60 13.537 5.203 -10.567 466 H ALA 61 H ALA 61 13.493 2.544 -8.485 467 HA ALA 61 HA ALA 61 11.685 2.975 -6.380 468 HB1 ALA 61 1HB ALA 61 13.223 1.967 -5.056 469 HB2 ALA 61 2HB ALA 61 13.902 1.508 -6.619 470 HB3 ALA 61 3HB ALA 61 14.571 2.880 -5.735 471 H ASP 62 H ASP 62 13.771 5.128 -7.997 472 HA ASP 62 HA ASP 62 13.761 7.032 -5.767 473 HB2 ASP 62 1HB ASP 62 15.274 7.032 -8.385 474 HB3 ASP 62 2HB ASP 62 15.348 8.333 -7.200 475 H SER 63 H SER 63 11.684 6.220 -8.054 476 HA SER 63 HA SER 63 11.127 8.626 -9.429 477 HB2 SER 63 1HB SER 63 10.314 6.285 -10.021 478 HB3 SER 63 2HB SER 63 9.098 6.491 -8.761 479 HG SER 63 HG SER 63 8.151 8.081 -9.912 480 HA PRO 64 HA PRO 64 9.203 11.052 -6.298 481 HB2 PRO 64 1HB PRO 64 7.767 12.720 -7.888 482 HB3 PRO 64 2HB PRO 64 9.521 12.840 -7.706 483 HG2 PRO 64 1HG PRO 64 7.927 11.567 -9.897 484 HG3 PRO 64 2HG PRO 64 9.369 12.592 -10.013 485 HD2 PRO 64 1HD PRO 64 9.479 9.895 -10.220 486 HD3 PRO 64 2HD PRO 64 10.799 10.853 -9.521 487 H ASP 65 H ASP 65 7.373 9.290 -8.671 488 HA ASP 65 HA ASP 65 4.790 9.832 -7.578 489 HB2 ASP 65 1HB ASP 65 5.380 7.360 -9.165 490 HB3 ASP 65 2HB ASP 65 3.955 8.395 -9.201 491 H ILE 66 H ILE 66 7.239 7.370 -7.077 492 HA ILE 66 HA ILE 66 5.654 5.561 -5.596 493 HB ILE 66 HB ILE 66 8.622 6.023 -5.733 494 HG12 ILE 66 1HG1 ILE 66 6.818 3.763 -6.626 495 HG13 ILE 66 2HG1 ILE 66 7.571 4.965 -7.669 496 HG21 ILE 66 1HG2 ILE 66 8.616 3.713 -4.489 497 HG22 ILE 66 2HG2 ILE 66 8.557 5.226 -3.585 498 HG23 ILE 66 3HG2 ILE 66 7.079 4.302 -3.855 499 HD11 ILE 66 1HD1 ILE 66 9.689 3.855 -6.281 500 HD12 ILE 66 2HD1 ILE 66 8.630 2.489 -6.636 501 HD13 ILE 66 3HD1 ILE 66 9.218 3.513 -7.945 502 H HIS 67 H HIS 67 4.924 5.635 -3.574 503 HA HIS 67 HA HIS 67 6.188 7.503 -1.684 504 HB2 HIS 67 1HB HIS 67 3.219 7.034 -2.031 505 HB3 HIS 67 2HB HIS 67 3.952 8.030 -0.776 506 HD1 HIS 67 1HD HIS 67 5.494 10.082 -1.841 507 HD2 HIS 67 2HD HIS 67 2.499 8.450 -4.215 508 HE1 HIS 67 1HE HIS 67 5.043 11.794 -3.627 509 HE2 HIS 67 2HE HIS 67 3.169 10.822 -5.000 510 HA PRO 68 HA PRO 68 6.419 4.028 1.007 511 HB2 PRO 68 1HB PRO 68 6.639 5.334 3.377 512 HB3 PRO 68 2HB PRO 68 7.957 5.246 2.202 513 HG2 PRO 68 1HG PRO 68 6.008 7.464 2.700 514 HG3 PRO 68 2HG PRO 68 7.756 7.553 2.414 515 HD2 PRO 68 1HD PRO 68 5.935 8.063 0.476 516 HD3 PRO 68 2HD PRO 68 7.521 7.343 0.131 517 H VAL 69 H VAL 69 5.310 2.995 2.800 518 HA VAL 69 HA VAL 69 2.509 3.173 2.620 519 HB VAL 69 HB VAL 69 4.331 1.780 4.566 520 HG11 VAL 69 1HG1 VAL 69 1.824 0.668 4.916 521 HG12 VAL 69 2HG1 VAL 69 2.668 1.722 6.052 522 HG13 VAL 69 3HG1 VAL 69 1.516 2.404 4.902 523 HG21 VAL 69 1HG2 VAL 69 4.315 0.701 2.481 524 HG22 VAL 69 2HG2 VAL 69 3.182 -0.219 3.471 525 HG23 VAL 69 3HG2 VAL 69 2.579 0.931 2.278 526 H GLY 70 H GLY 70 1.497 5.008 3.209 527 HA2 GLY 70 1HA GLY 70 0.448 5.896 5.304 528 HA3 GLY 70 2HA GLY 70 2.092 6.079 5.898 529 H TRP 71 H TRP 71 2.001 6.749 2.629 530 HA TRP 71 HA TRP 71 2.574 9.498 3.019 531 HB2 TRP 71 1HB TRP 71 3.600 8.552 1.139 532 HB3 TRP 71 2HB TRP 71 2.113 7.777 0.600 533 HD1 TRP 71 HD TRP 71 4.193 10.801 0.032 534 HE1 TRP 71 1HE TRP 71 2.982 12.432 -1.548 535 HE3 TRP 71 3HE TRP 71 -0.455 8.673 0.078 536 HZ2 TRP 71 2HZ TRP 71 0.398 12.772 -2.631 537 HZ3 TRP 71 3HZ TRP 71 -2.241 9.713 -1.257 538 HH2 TRP 71 HH TRP 71 -1.822 11.720 -2.582 539 H CYS 72 H CYS 72 -0.341 7.813 2.874 540 HA CYS 72 HA CYS 72 -1.987 9.716 1.574 541 HB2 CYS 72 1HB CYS 72 -3.851 8.480 2.482 542 HB3 CYS 72 2HB CYS 72 -2.616 7.337 1.968 543 HG CYS 72 HG CYS 72 -2.758 6.039 4.172 544 H SER 73 H SER 73 -0.837 9.365 4.857 545 HA SER 73 HA SER 73 -2.626 11.367 5.915 546 HB2 SER 73 1HB SER 73 -0.218 10.001 7.141 547 HB3 SER 73 2HB SER 73 -1.314 11.078 8.006 548 HG SER 73 HG SER 73 -2.419 9.330 8.357 549 H LYS 74 H LYS 74 0.878 11.140 5.331 550 HA LYS 74 HA LYS 74 1.800 13.533 6.155 551 HB2 LYS 74 1HB LYS 74 2.474 12.406 3.435 552 HB3 LYS 74 2HB LYS 74 3.489 13.434 4.438 553 HG2 LYS 74 1HG LYS 74 3.401 11.551 6.156 554 HG3 LYS 74 2HG LYS 74 2.761 10.555 4.847 555 HD2 LYS 74 1HD LYS 74 5.324 12.113 4.600 556 HD3 LYS 74 2HD LYS 74 5.270 10.461 5.220 557 HE2 LYS 74 1HE LYS 74 4.587 9.587 3.178 558 HE3 LYS 74 2HE LYS 74 3.994 11.143 2.599 559 HZ1 LYS 74 1HZ LYS 74 6.423 10.009 2.034 560 HZ2 LYS 74 2HZ LYS 74 6.788 11.222 3.154 561 HZ3 LYS 74 3HZ LYS 74 5.967 11.609 1.727 562 H THR 75 H THR 75 0.584 13.076 2.830 563 HA THR 75 HA THR 75 0.326 15.921 2.453 564 HB THR 75 HB THR 75 -0.417 15.417 0.218 565 HG1 THR 75 1HG THR 75 -0.465 12.669 0.973 566 HG21 THR 75 1HG2 THR 75 1.987 14.255 1.348 567 HG22 THR 75 2HG2 THR 75 1.762 15.113 -0.177 568 HG23 THR 75 3HG2 THR 75 1.452 13.380 -0.086 569 H GLY 76 H GLY 76 -1.792 13.217 3.163 570 HA2 GLY 76 1HA GLY 76 -3.855 13.465 4.298 571 HA3 GLY 76 2HA GLY 76 -3.941 15.125 3.726 572 H HIS 77 H HIS 77 -3.202 12.412 1.639 573 HA HIS 77 HA HIS 77 -5.675 12.961 0.162 574 HB2 HIS 77 1HB HIS 77 -2.985 11.919 -0.585 575 HB3 HIS 77 2HB HIS 77 -4.369 11.364 -1.523 576 HD1 HIS 77 1HD HIS 77 -5.975 13.990 -1.653 577 HD2 HIS 77 2HD HIS 77 -1.882 13.715 -2.309 578 HE1 HIS 77 1HE HIS 77 -5.382 15.996 -3.048 579 HE2 HIS 77 2HE HIS 77 -2.916 15.763 -3.504 580 HA PRO 78 HA PRO 78 -7.497 9.168 1.452 581 HB2 PRO 78 1HB PRO 78 -9.240 8.809 -0.598 582 HB3 PRO 78 2HB PRO 78 -9.477 10.025 0.663 583 HG2 PRO 78 1HG PRO 78 -8.383 10.354 -2.104 584 HG3 PRO 78 2HG PRO 78 -9.529 11.383 -1.224 585 HD2 PRO 78 1HD PRO 78 -6.901 11.995 -1.455 586 HD3 PRO 78 2HD PRO 78 -7.862 12.431 -0.027 587 H LEU 79 H LEU 79 -7.107 7.032 1.211 588 HA LEU 79 HA LEU 79 -5.616 6.200 -1.180 589 HB2 LEU 79 1HB LEU 79 -4.551 5.956 1.065 590 HB3 LEU 79 2HB LEU 79 -5.814 4.800 1.481 591 HG LEU 79 HG LEU 79 -4.994 3.433 -0.506 592 HD11 LEU 79 1HD1 LEU 79 -2.411 3.967 -0.753 593 HD12 LEU 79 2HD1 LEU 79 -2.975 5.606 -0.427 594 HD13 LEU 79 3HD1 LEU 79 -3.623 4.707 -1.799 595 HD21 LEU 79 1HD2 LEU 79 -4.570 2.928 1.898 596 HD22 LEU 79 2HD2 LEU 79 -3.047 3.807 1.764 597 HD23 LEU 79 3HD2 LEU 79 -3.312 2.350 0.805 598 H GLN 80 H GLN 80 -6.190 4.376 -2.336 599 HA GLN 80 HA GLN 80 -8.930 3.426 -1.860 600 HB2 GLN 80 1HB GLN 80 -7.263 3.333 -4.380 601 HB3 GLN 80 2HB GLN 80 -8.917 2.755 -4.231 602 HG2 GLN 80 1HG GLN 80 -7.950 5.592 -4.000 603 HG3 GLN 80 2HG GLN 80 -8.949 4.898 -5.276 604 HE21 GLN 80 1HE2 GLN 80 -11.117 4.596 -4.934 605 HE22 GLN 80 2HE2 GLN 80 -11.953 5.225 -3.560 606 HA PRO 81 HA PRO 81 -7.316 -0.511 -0.674 607 HB2 PRO 81 1HB PRO 81 -9.621 -1.928 -0.891 608 HB3 PRO 81 2HB PRO 81 -9.303 -0.808 0.439 609 HG2 PRO 81 1HG PRO 81 -10.912 -0.384 -2.049 610 HG3 PRO 81 2HG PRO 81 -11.284 0.090 -0.382 611 HD2 PRO 81 1HD PRO 81 -10.307 1.833 -2.209 612 HD3 PRO 81 2HD PRO 81 -9.933 1.955 -0.478 613 HA PRO 82 HA PRO 82 -6.377 -2.619 -4.432 614 HB2 PRO 82 1HB PRO 82 -5.722 -5.054 -3.425 615 HB3 PRO 82 2HB PRO 82 -4.678 -3.636 -3.267 616 HG2 PRO 82 1HG PRO 82 -6.575 -4.823 -1.279 617 HG3 PRO 82 2HG PRO 82 -4.933 -4.205 -1.026 618 HD2 PRO 82 1HD PRO 82 -7.142 -2.766 -0.408 619 HD3 PRO 82 2HD PRO 82 -5.634 -2.010 -0.961 620 H LEU 83 H LEU 83 -6.749 -5.127 -5.200 621 HA LEU 83 HA LEU 83 -9.477 -5.279 -5.847 622 HB2 LEU 83 1HB LEU 83 -7.105 -7.023 -6.192 623 HB3 LEU 83 2HB LEU 83 -8.691 -7.771 -6.377 624 HG LEU 83 HG LEU 83 -7.564 -5.490 -7.996 625 HD11 LEU 83 1HD1 LEU 83 -6.609 -7.486 -8.768 626 HD12 LEU 83 2HD1 LEU 83 -7.974 -7.193 -9.844 627 HD13 LEU 83 3HD1 LEU 83 -8.109 -8.389 -8.555 628 HD21 LEU 83 1HD2 LEU 83 -9.933 -6.508 -9.131 629 HD22 LEU 83 2HD2 LEU 83 -9.647 -4.896 -8.474 630 HD23 LEU 83 3HD2 LEU 83 -10.281 -6.173 -7.435 631 H SER 84 H SER 84 -10.898 -7.171 -5.406 632 HA SER 84 HA SER 84 -11.270 -7.475 -2.609 633 HB2 SER 84 1HB SER 84 -12.604 -8.583 -5.054 634 HB3 SER 84 2HB SER 84 -12.979 -9.272 -3.474 635 HG SER 84 HG SER 84 -13.276 -6.902 -2.902 636 HA PRO 85 HA PRO 85 -9.007 -11.102 -1.628 637 HB2 PRO 85 1HB PRO 85 -10.677 -12.365 0.101 638 HB3 PRO 85 2HB PRO 85 -9.797 -10.890 0.519 639 HG2 PRO 85 1HG PRO 85 -12.642 -11.214 -0.355 640 HG3 PRO 85 2HG PRO 85 -11.976 -10.193 0.933 641 HD2 PRO 85 1HD PRO 85 -12.644 -9.217 -1.503 642 HD3 PRO 85 2HD PRO 85 -11.308 -8.552 -0.542 643 H LEU 86 H LEU 86 -11.657 -11.214 -3.577 644 HA LEU 86 HA LEU 86 -11.434 -14.131 -3.938 645 HB2 LEU 86 1HB LEU 86 -13.758 -13.870 -4.993 646 HB3 LEU 86 2HB LEU 86 -13.622 -13.837 -3.236 647 HG LEU 86 HG LEU 86 -13.644 -11.260 -4.742 648 HD11 LEU 86 1HD1 LEU 86 -15.869 -13.184 -4.548 649 HD12 LEU 86 2HD1 LEU 86 -15.578 -11.891 -5.712 650 HD13 LEU 86 3HD1 LEU 86 -16.245 -11.513 -4.124 651 HD21 LEU 86 1HD2 LEU 86 -14.672 -10.450 -2.709 652 HD22 LEU 86 2HD2 LEU 86 -13.195 -11.331 -2.318 653 HD23 LEU 86 3HD2 LEU 86 -14.768 -12.091 -2.069 654 H GLU 87 H GLU 87 -10.989 -11.069 -5.309 655 HA GLU 87 HA GLU 87 -11.322 -11.853 -8.059 656 HB2 GLU 87 1HB GLU 87 -10.327 -9.393 -6.664 657 HB3 GLU 87 2HB GLU 87 -10.048 -9.599 -8.387 658 HG2 GLU 87 1HG GLU 87 -12.801 -9.935 -7.298 659 HG3 GLU 87 2HG GLU 87 -12.143 -8.316 -7.529 660 H LEU 88 H LEU 88 -8.905 -12.229 -5.722 661 HA LEU 88 HA LEU 88 -6.756 -12.419 -7.697 662 HB2 LEU 88 1HB LEU 88 -5.242 -12.341 -5.939 663 HB3 LEU 88 2HB LEU 88 -6.532 -11.251 -5.432 664 HG LEU 88 HG LEU 88 -6.633 -14.075 -4.500 665 HD11 LEU 88 1HD1 LEU 88 -4.377 -12.362 -4.054 666 HD12 LEU 88 2HD1 LEU 88 -4.661 -14.009 -3.490 667 HD13 LEU 88 3HD1 LEU 88 -5.236 -12.640 -2.539 668 HD21 LEU 88 1HD2 LEU 88 -8.119 -11.805 -4.050 669 HD22 LEU 88 2HD2 LEU 88 -7.079 -11.889 -2.628 670 HD23 LEU 88 3HD2 LEU 88 -8.115 -13.255 -3.046 671 H MET 89 H MET 89 -9.101 -14.370 -6.424 672 HA MET 89 HA MET 89 -7.567 -16.776 -6.081 673 HB2 MET 89 1HB MET 89 -9.605 -16.523 -4.817 674 HB3 MET 89 2HB MET 89 -10.540 -16.281 -6.287 675 HG2 MET 89 1HG MET 89 -10.123 -18.566 -6.964 676 HG3 MET 89 2HG MET 89 -9.101 -18.819 -5.551 677 HE1 MET 89 1HE MET 89 -12.462 -17.117 -6.307 678 HE2 MET 89 2HE MET 89 -12.881 -18.743 -6.845 679 HE3 MET 89 3HE MET 89 -13.639 -18.069 -5.402 680 H GLU 90 H GLU 90 -6.462 -17.161 -7.988 681 HA GLU 90 HA GLU 90 -8.063 -17.536 -10.419 682 HB2 GLU 90 1HB GLU 90 -5.967 -17.469 -11.639 683 HB3 GLU 90 2HB GLU 90 -6.087 -16.067 -10.586 684 HG2 GLU 90 1HG GLU 90 -4.727 -17.505 -8.920 685 HG3 GLU 90 2HG GLU 90 -4.321 -18.461 -10.345 686 H ALA 91 H ALA 91 -7.377 -19.392 -11.832 687 HA ALA 91 HA ALA 91 -7.278 -21.641 -12.171 688 HB1 ALA 91 1HB ALA 91 -5.523 -22.187 -9.881 689 HB2 ALA 91 2HB ALA 91 -5.309 -22.556 -11.593 690 HB3 ALA 91 3HB ALA 91 -4.944 -20.940 -10.987 691 H SER 92 H SER 92 -9.457 -20.812 -10.674 692 HA SER 92 HA SER 92 -9.740 -22.930 -8.648 693 HB2 SER 92 1HB SER 92 -10.079 -20.381 -8.106 694 HB3 SER 92 2HB SER 92 -11.654 -20.633 -8.858 695 HG SER 92 HG SER 92 -10.658 -22.287 -6.786 696 H GLU 93 H GLU 93 -10.391 -24.618 -9.937 697 HA GLU 93 HA GLU 93 -12.751 -24.217 -11.631 698 HB2 GLU 93 1HB GLU 93 -10.520 -26.187 -11.591 699 HB3 GLU 93 2HB GLU 93 -12.081 -26.736 -12.185 700 HG2 GLU 93 1HG GLU 93 -11.954 -24.569 -13.639 701 HG3 GLU 93 2HG GLU 93 -10.226 -24.708 -13.324 702 H HIS 94 H HIS 94 -14.669 -24.700 -10.817 703 HA HIS 94 HA HIS 94 -14.828 -26.644 -8.617 704 HB2 HIS 94 1HB HIS 94 -16.386 -24.199 -9.316 705 HB3 HIS 94 2HB HIS 94 -17.227 -25.506 -8.486 706 HD1 HIS 94 1HD HIS 94 -17.502 -24.116 -6.337 707 HD2 HIS 94 2HD HIS 94 -13.549 -24.694 -7.475 708 HE1 HIS 94 1HE HIS 94 -16.122 -23.405 -4.358 709 HE2 HIS 94 2HE HIS 94 -13.732 -23.683 -5.101 710 H GLY 95 H GLY 95 -15.201 -28.608 -9.470 711 HA2 GLY 95 1HA GLY 95 -17.123 -28.854 -11.675 712 HA3 GLY 95 2HA GLY 95 -15.975 -30.085 -11.170 713 H GLY 96 H GLY 96 -19.021 -28.507 -10.387 714 HA2 GLY 96 1HA GLY 96 -20.126 -30.948 -9.401 715 HA3 GLY 96 2HA GLY 96 -19.760 -29.837 -8.090 716 H CYS 97 H CYS 97 -22.352 -30.826 -8.938 717 HA CYS 97 HA CYS 97 -23.748 -28.850 -10.404 718 HB2 CYS 97 1HB CYS 97 -25.776 -29.946 -9.592 719 HB3 CYS 97 2HB CYS 97 -24.595 -31.142 -10.113 720 HG CYS 97 HG CYS 97 -26.069 -30.807 -7.190 721 H SER 98 H SER 98 -25.444 -27.435 -9.554 722 HA SER 98 HA SER 98 -24.956 -26.511 -6.810 723 HB2 SER 98 1HB SER 98 -25.086 -24.747 -9.267 724 HB3 SER 98 2HB SER 98 -25.074 -24.155 -7.605 725 HG SER 98 HG SER 98 -23.041 -25.620 -7.580 726 H THR 99 H THR 99 -26.694 -25.080 -6.001 727 HA THR 99 HA THR 99 -29.289 -25.975 -7.047 728 HB THR 99 HB THR 99 -28.830 -26.535 -4.692 729 HG1 THR 99 1HG THR 99 -30.771 -25.176 -3.898 730 HG21 THR 99 1HG2 THR 99 -29.203 -23.950 -3.521 731 HG22 THR 99 2HG2 THR 99 -27.811 -23.902 -4.604 732 HG23 THR 99 3HG2 THR 99 -27.872 -25.085 -3.298 733 HA PRO 100 HA PRO 100 -30.227 -21.906 -8.456 734 HB2 PRO 100 1HB PRO 100 -32.933 -22.107 -8.519 735 HB3 PRO 100 2HB PRO 100 -31.884 -22.888 -9.708 736 HG2 PRO 100 1HG PRO 100 -33.201 -24.056 -7.286 737 HG3 PRO 100 2HG PRO 100 -33.048 -24.739 -8.916 738 HD2 PRO 100 1HD PRO 100 -31.441 -25.483 -6.867 739 HD3 PRO 100 2HD PRO 100 -30.884 -25.445 -8.552 740 H GLY 101 H GLY 101 -30.456 -19.980 -7.482 741 HA2 GLY 101 1HA GLY 101 -31.635 -19.954 -4.780 742 HA3 GLY 101 2HA GLY 101 -30.419 -18.826 -5.361 743 H SER 102 H SER 102 -33.681 -19.910 -6.321 744 HA SER 102 HA SER 102 -34.691 -17.218 -6.138 745 HB2 SER 102 1HB SER 102 -34.071 -18.486 -8.770 746 HB3 SER 102 2HB SER 102 -35.538 -17.516 -8.638 747 HG SER 102 HG SER 102 -32.945 -16.628 -7.902 748 H GLY 103 H GLY 103 -36.957 -17.112 -6.173 749 HA2 GLY 103 1HA GLY 103 -38.874 -18.785 -6.975 750 HA3 GLY 103 2HA GLY 103 -38.240 -19.658 -5.588 751 HA PRO 104 HA PRO 104 -40.285 -15.509 -4.064 752 HB2 PRO 104 1HB PRO 104 -42.165 -14.516 -5.753 753 HB3 PRO 104 2HB PRO 104 -40.470 -14.017 -5.801 754 HG2 PRO 104 1HG PRO 104 -41.910 -15.997 -7.523 755 HG3 PRO 104 2HG PRO 104 -40.738 -14.752 -7.991 756 HD2 PRO 104 1HD PRO 104 -40.061 -17.359 -7.715 757 HD3 PRO 104 2HD PRO 104 -38.932 -16.037 -7.360 758 H SER 105 H SER 105 -42.609 -15.027 -3.396 759 HA SER 105 HA SER 105 -44.336 -17.386 -3.676 760 HB2 SER 105 1HB SER 105 -44.786 -17.439 -1.297 761 HB3 SER 105 2HB SER 105 -43.042 -17.531 -1.541 762 HG SER 105 HG SER 105 -44.500 -15.655 -0.240 763 H SER 106 H SER 106 -46.473 -16.958 -3.846 764 HA SER 106 HA SER 106 -47.627 -14.479 -2.973 765 HB2 SER 106 1HB SER 106 -46.563 -13.741 -5.068 766 HB3 SER 106 2HB SER 106 -47.421 -15.005 -5.949 767 HG SER 106 HG SER 106 -48.674 -13.241 -6.187 768 H GLY 107 H GLY 107 -49.936 -14.425 -3.225 769 HA2 GLY 107 1HA GLY 107 -51.410 -16.502 -4.455 770 HA3 GLY 107 2HA GLY 107 -51.198 -16.865 -2.749 Start of MODEL 2 1 H1 GLY 1 H GLY 1 21.566 -13.587 3.215 2 HA2 GLY 1 1HA GLY 1 20.490 -15.368 5.309 3 HA3 GLY 1 2HA GLY 1 22.103 -15.609 4.653 4 H SER 2 H SER 2 23.750 -14.649 5.654 5 HA SER 2 HA SER 2 23.516 -12.111 6.951 6 HB2 SER 2 1HB SER 2 23.878 -12.798 9.229 7 HB3 SER 2 2HB SER 2 22.466 -13.666 8.626 8 HG SER 2 HG SER 2 23.505 -15.387 9.216 9 H SER 3 H SER 3 25.474 -11.151 7.178 10 HA SER 3 HA SER 3 27.809 -12.753 6.390 11 HB2 SER 3 1HB SER 3 27.110 -9.848 6.075 12 HB3 SER 3 2HB SER 3 28.794 -10.368 6.016 13 HG SER 3 HG SER 3 26.979 -10.476 4.087 14 H GLY 4 H GLY 4 29.937 -11.718 7.286 15 HA2 GLY 4 1HA GLY 4 29.780 -11.964 10.150 16 HA3 GLY 4 2HA GLY 4 31.240 -11.732 9.200 17 H SER 5 H SER 5 31.073 -9.411 8.018 18 HA SER 5 HA SER 5 31.013 -7.531 10.235 19 HB2 SER 5 1HB SER 5 32.141 -5.993 8.683 20 HB3 SER 5 2HB SER 5 32.964 -7.552 8.736 21 HG SER 5 HG SER 5 32.628 -7.703 6.680 22 H SER 6 H SER 6 29.922 -5.509 10.144 23 HA SER 6 HA SER 6 27.574 -5.515 8.362 24 HB2 SER 6 1HB SER 6 26.927 -5.951 10.684 25 HB3 SER 6 2HB SER 6 27.763 -4.489 11.205 26 HG SER 6 HG SER 6 26.232 -3.547 9.453 27 H GLY 7 H GLY 7 27.294 -3.784 7.102 28 HA2 GLY 7 1HA GLY 7 27.505 -1.164 7.499 29 HA3 GLY 7 2HA GLY 7 29.201 -1.592 7.330 30 H VAL 8 H VAL 8 26.214 -1.053 5.706 31 HA VAL 8 HA VAL 8 27.499 -0.702 3.198 32 HB VAL 8 HB VAL 8 27.466 -3.135 3.135 33 HG11 VAL 8 1HG1 VAL 8 24.519 -2.810 3.657 34 HG12 VAL 8 2HG1 VAL 8 25.242 -4.303 3.057 35 HG13 VAL 8 3HG1 VAL 8 25.704 -3.672 4.638 36 HG21 VAL 8 1HG2 VAL 8 25.298 -2.762 1.249 37 HG22 VAL 8 2HG2 VAL 8 26.454 -1.431 1.195 38 HG23 VAL 8 3HG2 VAL 8 27.006 -3.089 0.953 39 H LYS 9 H LYS 9 26.265 0.499 1.826 40 HA LYS 9 HA LYS 9 23.625 1.289 2.826 41 HB2 LYS 9 1HB LYS 9 25.515 2.603 0.870 42 HB3 LYS 9 2HB LYS 9 23.899 3.205 1.217 43 HG2 LYS 9 1HG LYS 9 25.746 2.751 3.498 44 HG3 LYS 9 2HG LYS 9 26.025 4.146 2.453 45 HD2 LYS 9 1HD LYS 9 23.298 3.586 3.561 46 HD3 LYS 9 2HD LYS 9 24.512 4.418 4.535 47 HE2 LYS 9 1HE LYS 9 23.633 5.294 1.787 48 HE3 LYS 9 2HE LYS 9 22.986 5.943 3.293 49 HZ1 LYS 9 1HZ LYS 9 25.617 6.230 3.676 50 HZ2 LYS 9 2HZ LYS 9 24.619 7.437 3.039 51 HZ3 LYS 9 3HZ LYS 9 25.524 6.454 2.002 52 HA PRO 10 HA PRO 10 21.530 -0.826 -0.416 53 HB2 PRO 10 1HB PRO 10 19.251 0.647 -0.492 54 HB3 PRO 10 2HB PRO 10 19.614 -0.494 0.808 55 HG2 PRO 10 1HG PRO 10 19.938 2.481 0.753 56 HG3 PRO 10 2HG PRO 10 19.304 1.448 2.048 57 HD2 PRO 10 1HD PRO 10 21.831 2.421 2.066 58 HD3 PRO 10 2HD PRO 10 21.409 0.848 2.770 59 HA PRO 11 HA PRO 11 22.128 1.277 -4.233 60 HB2 PRO 11 1HB PRO 11 20.139 0.234 -5.758 61 HB3 PRO 11 2HB PRO 11 21.569 -0.690 -5.281 62 HG2 PRO 11 1HG PRO 11 18.824 -0.697 -4.088 63 HG3 PRO 11 2HG PRO 11 19.896 -2.066 -4.436 64 HD2 PRO 11 1HD PRO 11 19.621 -1.026 -1.951 65 HD3 PRO 11 2HD PRO 11 21.143 -1.737 -2.525 66 H HIS 12 H HIS 12 18.675 1.119 -3.350 67 HA HIS 12 HA HIS 12 18.435 3.941 -4.160 68 HB2 HIS 12 1HB HIS 12 15.913 3.114 -4.519 69 HB3 HIS 12 2HB HIS 12 17.120 3.052 -5.800 70 HD1 HIS 12 1HD HIS 12 15.516 0.800 -3.213 71 HD2 HIS 12 2HD HIS 12 17.611 0.555 -6.793 72 HE1 HIS 12 1HE HIS 12 15.437 -1.626 -3.874 73 HE2 HIS 12 2HE HIS 12 16.784 -1.763 -5.998 74 H GLY 13 H GLY 13 17.273 1.364 -2.040 75 HA2 GLY 13 1HA GLY 13 17.156 2.049 0.356 76 HA3 GLY 13 2HA GLY 13 16.264 3.454 -0.208 77 H PHE 14 H PHE 14 15.805 0.246 -1.529 78 HA PHE 14 HA PHE 14 13.165 0.150 -0.222 79 HB2 PHE 14 1HB PHE 14 13.960 -0.571 -3.039 80 HB3 PHE 14 2HB PHE 14 12.471 -1.161 -2.308 81 HD1 PHE 14 1HD PHE 14 14.214 2.140 -2.345 82 HD2 PHE 14 2HD PHE 14 10.646 -0.046 -3.122 83 HE1 PHE 14 1HE PHE 14 13.080 4.227 -2.985 84 HE2 PHE 14 2HE PHE 14 9.506 2.037 -3.765 85 HZ PHE 14 HZ PHE 14 10.723 4.177 -3.698 86 H GLN 15 H GLN 15 12.252 -2.227 -0.530 87 HA GLN 15 HA GLN 15 14.309 -4.248 -0.168 88 HB2 GLN 15 1HB GLN 15 12.248 -3.705 1.976 89 HB3 GLN 15 2HB GLN 15 13.430 -5.007 1.982 90 HG2 GLN 15 1HG GLN 15 15.180 -3.126 1.851 91 HG3 GLN 15 2HG GLN 15 13.860 -2.073 2.358 92 HE21 GLN 15 1HE2 GLN 15 16.245 -2.590 3.810 93 HE22 GLN 15 2HE2 GLN 15 15.797 -3.352 5.294 94 H LYS 16 H LYS 16 13.375 -6.447 -0.013 95 HA LYS 16 HA LYS 16 11.087 -6.656 -1.803 96 HB2 LYS 16 1HB LYS 16 13.256 -8.506 -0.904 97 HB3 LYS 16 2HB LYS 16 11.759 -9.193 -1.521 98 HG2 LYS 16 1HG LYS 16 12.119 -8.425 -3.649 99 HG3 LYS 16 2HG LYS 16 13.137 -7.087 -3.111 100 HD2 LYS 16 1HD LYS 16 15.015 -8.385 -2.989 101 HD3 LYS 16 2HD LYS 16 14.107 -9.854 -2.626 102 HE2 LYS 16 1HE LYS 16 13.284 -9.826 -4.988 103 HE3 LYS 16 2HE LYS 16 14.391 -8.490 -5.299 104 HZ1 LYS 16 1HZ LYS 16 15.505 -10.429 -5.965 105 HZ2 LYS 16 2HZ LYS 16 15.064 -11.280 -4.572 106 HZ3 LYS 16 3HZ LYS 16 16.192 -10.023 -4.473 107 H LYS 17 H LYS 17 9.218 -7.831 -1.345 108 HA LYS 17 HA LYS 17 7.536 -8.718 -0.088 109 HB2 LYS 17 1HB LYS 17 9.534 -9.138 2.130 110 HB3 LYS 17 2HB LYS 17 8.030 -10.006 1.854 111 HG2 LYS 17 1HG LYS 17 9.023 -10.893 -0.259 112 HG3 LYS 17 2HG LYS 17 10.555 -10.163 0.226 113 HD2 LYS 17 1HD LYS 17 10.699 -12.393 0.944 114 HD3 LYS 17 2HD LYS 17 10.297 -11.478 2.399 115 HE2 LYS 17 1HE LYS 17 7.920 -12.067 2.067 116 HE3 LYS 17 2HE LYS 17 8.381 -13.048 0.676 117 HZ1 LYS 17 1HZ LYS 17 8.463 -14.667 2.210 118 HZ2 LYS 17 2HZ LYS 17 8.668 -13.602 3.507 119 HZ3 LYS 17 3HZ LYS 17 9.995 -14.036 2.552 120 H MET 18 H MET 18 8.449 -5.880 0.059 121 HA MET 18 HA MET 18 7.328 -5.166 2.686 122 HB2 MET 18 1HB MET 18 8.628 -3.260 2.722 123 HB3 MET 18 2HB MET 18 9.691 -4.375 1.874 124 HG2 MET 18 1HG MET 18 9.117 -3.415 -0.240 125 HG3 MET 18 2HG MET 18 7.875 -2.411 0.503 126 HE1 MET 18 1HE MET 18 9.914 0.464 -0.330 127 HE2 MET 18 2HE MET 18 10.611 -0.843 -1.287 128 HE3 MET 18 3HE MET 18 8.871 -0.791 -0.999 129 H LYS 19 H LYS 19 6.296 -2.833 2.521 130 HA LYS 19 HA LYS 19 4.423 -2.889 0.246 131 HB2 LYS 19 1HB LYS 19 3.977 -2.190 3.142 132 HB3 LYS 19 2HB LYS 19 2.857 -1.688 1.882 133 HG2 LYS 19 1HG LYS 19 3.594 -4.517 2.601 134 HG3 LYS 19 2HG LYS 19 2.065 -3.704 2.940 135 HD2 LYS 19 1HD LYS 19 2.106 -3.340 0.314 136 HD3 LYS 19 2HD LYS 19 3.127 -4.779 0.379 137 HE2 LYS 19 1HE LYS 19 0.412 -4.580 1.673 138 HE3 LYS 19 2HE LYS 19 0.684 -5.230 0.057 139 HZ1 LYS 19 1HZ LYS 19 2.470 -6.554 1.654 140 HZ2 LYS 19 2HZ LYS 19 1.017 -7.172 1.049 141 HZ3 LYS 19 3HZ LYS 19 1.064 -6.478 2.591 142 H LEU 20 H LEU 20 3.664 -0.861 -0.548 143 HA LEU 20 HA LEU 20 4.697 1.618 0.388 144 HB2 LEU 20 1HB LEU 20 6.400 2.074 -1.035 145 HB3 LEU 20 2HB LEU 20 6.597 0.327 -0.923 146 HG LEU 20 HG LEU 20 4.993 0.421 -3.054 147 HD11 LEU 20 1HD1 LEU 20 6.285 3.108 -2.875 148 HD12 LEU 20 2HD1 LEU 20 4.648 2.680 -3.370 149 HD13 LEU 20 3HD1 LEU 20 6.007 2.362 -4.448 150 HD21 LEU 20 1HD2 LEU 20 7.376 0.794 -4.287 151 HD22 LEU 20 2HD2 LEU 20 6.869 -0.720 -3.537 152 HD23 LEU 20 3HD2 LEU 20 7.904 0.401 -2.650 153 H GLU 21 H GLU 21 3.596 3.333 -0.468 154 HA GLU 21 HA GLU 21 1.285 2.699 -2.073 155 HB2 GLU 21 1HB GLU 21 2.249 5.314 -0.904 156 HB3 GLU 21 2HB GLU 21 0.719 5.100 -1.742 157 HG2 GLU 21 1HG GLU 21 0.041 3.462 -0.036 158 HG3 GLU 21 2HG GLU 21 1.552 3.761 0.821 159 H VAL 22 H VAL 22 1.309 2.678 -4.212 160 HA VAL 22 HA VAL 22 3.260 4.375 -5.624 161 HB VAL 22 HB VAL 22 1.920 1.827 -6.538 162 HG11 VAL 22 1HG1 VAL 22 2.140 3.087 -8.490 163 HG12 VAL 22 2HG1 VAL 22 3.671 3.796 -7.972 164 HG13 VAL 22 3HG1 VAL 22 3.602 2.101 -8.458 165 HG21 VAL 22 1HG2 VAL 22 4.054 0.802 -6.370 166 HG22 VAL 22 2HG2 VAL 22 4.849 2.348 -6.073 167 HG23 VAL 22 3HG2 VAL 22 3.784 1.656 -4.850 168 H VAL 23 H VAL 23 2.604 5.701 -7.275 169 HA VAL 23 HA VAL 23 -0.219 6.369 -7.317 170 HB VAL 23 HB VAL 23 2.128 7.664 -8.711 171 HG11 VAL 23 1HG1 VAL 23 -0.232 7.889 -9.737 172 HG12 VAL 23 2HG1 VAL 23 -0.565 8.922 -8.345 173 HG13 VAL 23 3HG1 VAL 23 0.722 9.348 -9.473 174 HG21 VAL 23 1HG2 VAL 23 2.346 9.071 -6.946 175 HG22 VAL 23 2HG2 VAL 23 0.629 9.018 -6.548 176 HG23 VAL 23 3HG2 VAL 23 1.685 7.687 -6.075 177 H ASP 24 H ASP 24 -1.580 5.486 -8.712 178 HA ASP 24 HA ASP 24 -0.954 3.719 -10.734 179 HB2 ASP 24 1HB ASP 24 -3.243 4.300 -9.662 180 HB3 ASP 24 2HB ASP 24 -3.363 5.504 -10.943 181 H LYS 25 H LYS 25 0.374 4.112 -12.382 182 HA LYS 25 HA LYS 25 1.175 6.449 -13.490 183 HB2 LYS 25 1HB LYS 25 0.621 4.245 -15.415 184 HB3 LYS 25 2HB LYS 25 2.068 5.225 -15.218 185 HG2 LYS 25 1HG LYS 25 1.184 2.888 -13.548 186 HG3 LYS 25 2HG LYS 25 2.621 3.019 -14.565 187 HD2 LYS 25 1HD LYS 25 2.217 4.936 -12.307 188 HD3 LYS 25 2HD LYS 25 2.819 3.310 -11.979 189 HE2 LYS 25 1HE LYS 25 4.068 5.086 -14.055 190 HE3 LYS 25 2HE LYS 25 4.544 5.156 -12.359 191 HZ1 LYS 25 1HZ LYS 25 4.621 2.504 -12.934 192 HZ2 LYS 25 2HZ LYS 25 5.959 3.538 -12.881 193 HZ3 LYS 25 3HZ LYS 25 5.202 3.209 -14.358 194 H ARG 26 H ARG 26 -1.516 4.499 -14.795 195 HA ARG 26 HA ARG 26 -2.347 6.395 -16.692 196 HB2 ARG 26 1HB ARG 26 -4.394 4.620 -15.474 197 HB3 ARG 26 2HB ARG 26 -4.052 4.948 -17.168 198 HG2 ARG 26 1HG ARG 26 -1.881 3.603 -16.735 199 HG3 ARG 26 2HG ARG 26 -2.746 3.000 -15.320 200 HD2 ARG 26 1HD ARG 26 -2.936 1.596 -17.406 201 HD3 ARG 26 2HD ARG 26 -4.460 2.061 -16.651 202 HE ARG 26 HE ARG 26 -3.656 3.892 -18.690 203 HH11 ARG 26 2HH1 ARG 26 -5.178 0.814 -18.113 204 HH12 ARG 26 1HH1 ARG 26 -6.099 0.848 -19.580 205 HH21 ARG 26 2HH2 ARG 26 -4.863 3.948 -20.624 206 HH22 ARG 26 1HH2 ARG 26 -5.919 2.630 -21.008 207 H ASN 27 H ASN 27 -3.126 5.976 -13.300 208 HA ASN 27 HA ASN 27 -4.753 8.429 -13.431 209 HB2 ASN 27 1HB ASN 27 -5.227 5.848 -12.028 210 HB3 ASN 27 2HB ASN 27 -5.701 7.321 -11.188 211 HD21 ASN 27 1HD2 ASN 27 -7.016 4.974 -12.786 212 HD22 ASN 27 2HD2 ASN 27 -8.232 5.792 -13.701 213 HA PRO 28 HA PRO 28 -1.170 9.494 -10.811 214 HB2 PRO 28 1HB PRO 28 -1.270 12.142 -11.401 215 HB3 PRO 28 2HB PRO 28 -0.470 10.956 -12.439 216 HG2 PRO 28 1HG PRO 28 -3.193 12.173 -12.700 217 HG3 PRO 28 2HG PRO 28 -1.977 11.873 -13.955 218 HD2 PRO 28 1HD PRO 28 -4.105 10.245 -13.571 219 HD3 PRO 28 2HD PRO 28 -2.535 9.644 -14.140 220 H MET 29 H MET 29 -4.478 10.207 -10.750 221 HA MET 29 HA MET 29 -4.254 11.782 -8.284 222 HB2 MET 29 1HB MET 29 -6.657 12.250 -8.601 223 HB3 MET 29 2HB MET 29 -5.692 12.752 -9.983 224 HG2 MET 29 1HG MET 29 -6.326 10.537 -11.041 225 HG3 MET 29 2HG MET 29 -7.515 10.383 -9.750 226 HE1 MET 29 1HE MET 29 -7.247 11.833 -13.495 227 HE2 MET 29 2HE MET 29 -7.356 13.533 -13.040 228 HE3 MET 29 3HE MET 29 -6.046 12.533 -12.410 229 H PHE 30 H PHE 30 -4.094 8.705 -8.889 230 HA PHE 30 HA PHE 30 -5.694 7.958 -6.545 231 HB2 PHE 30 1HB PHE 30 -5.735 6.682 -9.261 232 HB3 PHE 30 2HB PHE 30 -6.064 5.717 -7.826 233 HD1 PHE 30 1HD PHE 30 -7.963 6.414 -6.317 234 HD2 PHE 30 2HD PHE 30 -7.385 8.037 -10.210 235 HE1 PHE 30 1HE PHE 30 -10.305 7.168 -6.347 236 HE2 PHE 30 2HE PHE 30 -9.726 8.794 -10.245 237 HZ PHE 30 HZ PHE 30 -11.189 8.361 -8.311 238 H ILE 31 H ILE 31 -4.649 6.703 -5.117 239 HA ILE 31 HA ILE 31 -2.133 5.432 -5.973 240 HB ILE 31 HB ILE 31 -2.610 6.865 -3.356 241 HG12 ILE 31 1HG1 ILE 31 -0.488 7.581 -5.345 242 HG13 ILE 31 2HG1 ILE 31 -2.136 8.144 -5.603 243 HG21 ILE 31 1HG2 ILE 31 -1.223 4.953 -2.970 244 HG22 ILE 31 2HG2 ILE 31 -0.231 5.327 -4.378 245 HG23 ILE 31 3HG2 ILE 31 -0.195 6.386 -2.968 246 HD11 ILE 31 1HD1 ILE 31 -2.037 9.117 -3.285 247 HD12 ILE 31 2HD1 ILE 31 -0.309 8.762 -3.306 248 HD13 ILE 31 3HD1 ILE 31 -0.995 9.875 -4.489 249 H ARG 32 H ARG 32 -1.640 3.454 -5.067 250 HA ARG 32 HA ARG 32 -3.493 2.325 -3.107 251 HB2 ARG 32 1HB ARG 32 -2.823 0.994 -5.738 252 HB3 ARG 32 2HB ARG 32 -3.746 0.265 -4.431 253 HG2 ARG 32 1HG ARG 32 -5.459 2.011 -4.696 254 HG3 ARG 32 2HG ARG 32 -4.544 2.673 -6.052 255 HD2 ARG 32 1HD ARG 32 -4.724 0.376 -7.109 256 HD3 ARG 32 2HD ARG 32 -5.902 -0.004 -5.853 257 HE ARG 32 HE ARG 32 -7.441 1.170 -7.048 258 HH11 ARG 32 2HH1 ARG 32 -4.270 2.287 -7.949 259 HH12 ARG 32 1HH1 ARG 32 -4.854 3.363 -9.174 260 HH21 ARG 32 2HH2 ARG 32 -8.224 2.584 -8.657 261 HH22 ARG 32 1HH2 ARG 32 -7.104 3.533 -9.576 262 H VAL 33 H VAL 33 -2.698 0.263 -2.197 263 HA VAL 33 HA VAL 33 0.029 0.478 -1.456 264 HB VAL 33 HB VAL 33 -1.950 -1.762 -1.030 265 HG11 VAL 33 1HG1 VAL 33 0.883 -1.422 -0.120 266 HG12 VAL 33 2HG1 VAL 33 -0.273 -2.347 0.840 267 HG13 VAL 33 3HG1 VAL 33 0.098 -2.842 -0.812 268 HG21 VAL 33 1HG2 VAL 33 -2.791 -0.403 0.516 269 HG22 VAL 33 2HG2 VAL 33 -1.258 -0.517 1.381 270 HG23 VAL 33 3HG2 VAL 33 -1.525 0.790 0.227 271 H ALA 34 H ALA 34 1.784 -0.839 -1.942 272 HA ALA 34 HA ALA 34 1.456 -2.698 -4.196 273 HB1 ALA 34 1HB ALA 34 3.856 -0.916 -4.032 274 HB2 ALA 34 2HB ALA 34 3.207 -1.791 -5.420 275 HB3 ALA 34 3HB ALA 34 2.371 -0.363 -4.808 276 H THR 35 H THR 35 3.351 -4.158 -4.459 277 HA THR 35 HA THR 35 4.736 -4.658 -1.911 278 HB THR 35 HB THR 35 3.520 -6.799 -3.667 279 HG1 THR 35 1HG THR 35 2.160 -7.082 -1.766 280 HG21 THR 35 1HG2 THR 35 4.418 -7.395 -0.921 281 HG22 THR 35 2HG2 THR 35 5.698 -7.067 -2.089 282 HG23 THR 35 3HG2 THR 35 4.541 -8.363 -2.390 283 H VAL 36 H VAL 36 6.843 -4.458 -2.253 284 HA VAL 36 HA VAL 36 8.055 -4.514 -4.805 285 HB VAL 36 HB VAL 36 9.478 -4.881 -2.170 286 HG11 VAL 36 1HG1 VAL 36 10.286 -4.227 -4.943 287 HG12 VAL 36 2HG1 VAL 36 11.113 -3.371 -3.639 288 HG13 VAL 36 3HG1 VAL 36 11.140 -5.134 -3.695 289 HG21 VAL 36 1HG2 VAL 36 9.666 -2.433 -2.095 290 HG22 VAL 36 2HG2 VAL 36 8.617 -2.316 -3.507 291 HG23 VAL 36 3HG2 VAL 36 7.988 -2.966 -1.994 292 H ALA 37 H ALA 37 8.016 -6.338 -5.978 293 HA ALA 37 HA ALA 37 8.406 -8.929 -4.740 294 HB1 ALA 37 1HB ALA 37 7.411 -9.779 -6.557 295 HB2 ALA 37 2HB ALA 37 6.970 -8.107 -6.906 296 HB3 ALA 37 3HB ALA 37 8.394 -8.820 -7.664 297 H ASP 38 H ASP 38 10.149 -6.753 -6.905 298 HA ASP 38 HA ASP 38 12.628 -8.130 -6.252 299 HB2 ASP 38 1HB ASP 38 11.524 -9.037 -8.450 300 HB3 ASP 38 2HB ASP 38 12.131 -7.537 -9.147 301 H THR 39 H THR 39 14.353 -6.786 -6.148 302 HA THR 39 HA THR 39 13.876 -3.972 -6.876 303 HB THR 39 HB THR 39 15.551 -3.382 -5.163 304 HG1 THR 39 1HG THR 39 16.706 -4.891 -4.223 305 HG21 THR 39 1HG2 THR 39 13.288 -5.117 -4.165 306 HG22 THR 39 2HG2 THR 39 13.208 -3.392 -4.525 307 HG23 THR 39 3HG2 THR 39 14.195 -3.969 -3.181 308 H ASP 40 H ASP 40 14.874 -3.455 -8.707 309 HA ASP 40 HA ASP 40 17.233 -4.863 -9.595 310 HB2 ASP 40 1HB ASP 40 15.235 -3.853 -11.000 311 HB3 ASP 40 2HB ASP 40 16.228 -2.399 -10.958 312 H ASP 41 H ASP 41 18.905 -3.210 -10.721 313 HA ASP 41 HA ASP 41 20.544 -2.229 -8.769 314 HB2 ASP 41 1HB ASP 41 20.221 -1.378 -11.643 315 HB3 ASP 41 2HB ASP 41 21.476 -0.706 -10.606 316 H HIS 42 H HIS 42 18.331 -0.244 -10.742 317 HA HIS 42 HA HIS 42 18.139 1.627 -8.482 318 HB2 HIS 42 1HB HIS 42 18.090 2.671 -11.288 319 HB3 HIS 42 2HB HIS 42 18.508 3.506 -9.794 320 HD1 HIS 42 1HD HIS 42 20.936 3.760 -9.324 321 HD2 HIS 42 2HD HIS 42 20.189 0.789 -12.130 322 HE1 HIS 42 1HE HIS 42 23.197 3.023 -10.140 323 HE2 HIS 42 2HE HIS 42 22.717 1.285 -11.899 324 H ARG 43 H ARG 43 16.391 -0.536 -9.433 325 HA ARG 43 HA ARG 43 13.948 1.044 -9.646 326 HB2 ARG 43 1HB ARG 43 14.443 -1.288 -11.497 327 HB3 ARG 43 2HB ARG 43 13.068 -0.193 -11.500 328 HG2 ARG 43 1HG ARG 43 14.761 1.650 -12.009 329 HG3 ARG 43 2HG ARG 43 15.883 0.338 -12.376 330 HD2 ARG 43 1HD ARG 43 13.182 0.271 -13.617 331 HD3 ARG 43 2HD ARG 43 14.354 1.432 -14.238 332 HE ARG 43 HE ARG 43 15.358 -1.259 -14.009 333 HH11 ARG 43 2HH1 ARG 43 13.707 1.041 -16.036 334 HH12 ARG 43 1HH1 ARG 43 14.124 0.236 -17.512 335 HH21 ARG 43 2HH2 ARG 43 15.914 -2.327 -15.946 336 HH22 ARG 43 1HH2 ARG 43 15.379 -1.680 -17.460 337 H VAL 44 H VAL 44 11.983 -0.453 -9.451 338 HA VAL 44 HA VAL 44 12.455 -2.930 -8.027 339 HB VAL 44 HB VAL 44 11.198 -2.283 -6.028 340 HG11 VAL 44 1HG1 VAL 44 12.938 -1.118 -4.923 341 HG12 VAL 44 2HG1 VAL 44 13.710 -2.076 -6.188 342 HG13 VAL 44 3HG1 VAL 44 13.466 -0.344 -6.417 343 HG21 VAL 44 1HG2 VAL 44 11.049 0.310 -5.706 344 HG22 VAL 44 2HG2 VAL 44 11.021 0.325 -7.469 345 HG23 VAL 44 3HG2 VAL 44 9.780 -0.553 -6.575 346 H LYS 45 H LYS 45 10.970 -4.326 -8.688 347 HA LYS 45 HA LYS 45 8.720 -3.520 -10.233 348 HB2 LYS 45 1HB LYS 45 10.000 -5.678 -10.491 349 HB3 LYS 45 2HB LYS 45 9.217 -6.241 -9.020 350 HG2 LYS 45 1HG LYS 45 7.108 -6.299 -10.026 351 HG3 LYS 45 2HG LYS 45 7.627 -5.286 -11.376 352 HD2 LYS 45 1HD LYS 45 9.265 -7.222 -11.888 353 HD3 LYS 45 2HD LYS 45 8.208 -8.179 -10.848 354 HE2 LYS 45 1HE LYS 45 6.963 -6.543 -12.995 355 HE3 LYS 45 2HE LYS 45 7.821 -8.010 -13.462 356 HZ1 LYS 45 1HZ LYS 45 6.298 -9.333 -12.462 357 HZ2 LYS 45 2HZ LYS 45 5.281 -8.027 -12.808 358 HZ3 LYS 45 3HZ LYS 45 5.921 -8.210 -11.253 359 H VAL 46 H VAL 46 7.064 -2.497 -9.298 360 HA VAL 46 HA VAL 46 6.189 -3.268 -6.622 361 HB VAL 46 HB VAL 46 4.605 -1.317 -6.893 362 HG11 VAL 46 1HG1 VAL 46 6.199 0.217 -6.198 363 HG12 VAL 46 2HG1 VAL 46 6.977 -1.329 -5.853 364 HG13 VAL 46 3HG1 VAL 46 7.430 -0.413 -7.291 365 HG21 VAL 46 1HG2 VAL 46 4.375 -0.296 -8.852 366 HG22 VAL 46 2HG2 VAL 46 6.110 0.005 -8.945 367 HG23 VAL 46 3HG2 VAL 46 5.443 -1.503 -9.569 368 H HIS 47 H HIS 47 4.772 -4.871 -6.465 369 HA HIS 47 HA HIS 47 2.849 -5.311 -8.633 370 HB2 HIS 47 1HB HIS 47 3.917 -7.336 -8.189 371 HB3 HIS 47 2HB HIS 47 3.958 -7.047 -6.452 372 HD1 HIS 47 1HD HIS 47 2.228 -8.983 -8.905 373 HD2 HIS 47 2HD HIS 47 1.164 -7.137 -5.338 374 HE1 HIS 47 1HE HIS 47 0.091 -10.095 -8.184 375 HE2 HIS 47 2HE HIS 47 -0.579 -8.903 -6.069 376 H PHE 48 H PHE 48 0.775 -4.795 -8.410 377 HA PHE 48 HA PHE 48 -0.155 -3.669 -5.919 378 HB2 PHE 48 1HB PHE 48 -1.313 -3.929 -8.680 379 HB3 PHE 48 2HB PHE 48 -2.326 -3.438 -7.326 380 HD1 PHE 48 1HD PHE 48 1.217 -2.569 -8.014 381 HD2 PHE 48 2HD PHE 48 -2.809 -1.210 -7.765 382 HE1 PHE 48 1HE PHE 48 1.988 -0.248 -8.285 383 HE2 PHE 48 2HE PHE 48 -2.044 1.113 -8.036 384 HZ PHE 48 HZ PHE 48 0.356 1.596 -8.298 385 H ASP 49 H ASP 49 -0.574 -5.144 -4.376 386 HA ASP 49 HA ASP 49 -1.259 -7.736 -4.474 387 HB2 ASP 49 1HB ASP 49 -0.987 -6.398 -2.389 388 HB3 ASP 49 2HB ASP 49 -2.613 -5.764 -2.623 389 H GLY 50 H GLY 50 -2.892 -8.986 -5.153 390 HA2 GLY 50 1HA GLY 50 -5.090 -9.577 -5.681 391 HA3 GLY 50 2HA GLY 50 -5.572 -7.903 -5.443 392 H TRP 51 H TRP 51 -3.885 -6.587 -7.178 393 HA TRP 51 HA TRP 51 -5.220 -6.921 -9.634 394 HB2 TRP 51 1HB TRP 51 -2.687 -5.417 -8.951 395 HB3 TRP 51 2HB TRP 51 -3.505 -5.312 -10.507 396 HD1 TRP 51 HD TRP 51 -4.075 -4.437 -6.793 397 HE1 TRP 51 1HE TRP 51 -5.798 -2.529 -6.673 398 HE3 TRP 51 3HE TRP 51 -5.320 -4.155 -11.744 399 HZ2 TRP 51 2HZ TRP 51 -7.465 -1.094 -8.443 400 HZ3 TRP 51 3HZ TRP 51 -6.988 -2.488 -12.447 401 HH2 TRP 51 HH TRP 51 -8.037 -0.991 -10.830 402 H ASN 52 H ASN 52 -4.777 -8.089 -11.408 403 HA ASN 52 HA ASN 52 -3.262 -10.336 -11.442 404 HB2 ASN 52 1HB ASN 52 -4.897 -9.401 -13.223 405 HB3 ASN 52 2HB ASN 52 -3.463 -8.671 -13.939 406 HD21 ASN 52 1HD2 ASN 52 -5.354 -11.443 -13.690 407 HD22 ASN 52 2HD2 ASN 52 -4.308 -12.536 -14.523 408 H ASN 53 H ASN 53 -1.169 -10.835 -11.450 409 HA ASN 53 HA ASN 53 0.904 -9.191 -10.957 410 HB2 ASN 53 1HB ASN 53 1.399 -11.476 -10.864 411 HB3 ASN 53 2HB ASN 53 0.804 -11.769 -12.496 412 HD21 ASN 53 1HD2 ASN 53 3.482 -10.892 -10.553 413 HD22 ASN 53 2HD2 ASN 53 4.649 -10.772 -11.820 414 H CYS 54 H CYS 54 -0.483 -9.835 -14.122 415 HA CYS 54 HA CYS 54 1.428 -8.749 -15.787 416 HB2 CYS 54 1HB CYS 54 -1.566 -8.877 -15.940 417 HB3 CYS 54 2HB CYS 54 -0.657 -8.031 -17.186 418 HG CYS 54 HG CYS 54 -1.165 -11.270 -16.796 419 H TYR 55 H TYR 55 -1.181 -7.064 -14.068 420 HA TYR 55 HA TYR 55 -0.873 -4.518 -15.055 421 HB2 TYR 55 1HB TYR 55 -1.742 -5.607 -12.415 422 HB3 TYR 55 2HB TYR 55 -1.480 -3.872 -12.558 423 HD1 TYR 55 1HD TYR 55 -2.727 -2.650 -14.449 424 HD2 TYR 55 2HD TYR 55 -3.763 -6.550 -13.100 425 HE1 TYR 55 1HE TYR 55 -4.966 -2.387 -15.431 426 HE2 TYR 55 2HE TYR 55 -6.005 -6.299 -14.080 427 HH TYR 55 HH TYR 55 -6.825 -4.308 -16.314 428 H ASP 56 H ASP 56 1.077 -6.178 -12.647 429 HA ASP 56 HA ASP 56 2.532 -4.183 -11.505 430 HB2 ASP 56 1HB ASP 56 3.814 -6.705 -12.564 431 HB3 ASP 56 2HB ASP 56 4.303 -5.757 -11.162 432 H TYR 57 H TYR 57 4.726 -3.379 -11.957 433 HA TYR 57 HA TYR 57 5.728 -3.419 -14.636 434 HB2 TYR 57 1HB TYR 57 5.481 -0.887 -14.904 435 HB3 TYR 57 2HB TYR 57 4.038 -1.860 -15.168 436 HD1 TYR 57 2HD TYR 57 5.772 -0.052 -12.391 437 HD2 TYR 57 1HD TYR 57 2.075 -1.157 -14.182 438 HE1 TYR 57 2HE TYR 57 4.568 1.293 -10.721 439 HE2 TYR 57 1HE TYR 57 0.860 0.185 -12.517 440 HH TYR 57 HH TYR 57 1.662 1.004 -9.874 441 H TRP 58 H TRP 58 7.780 -2.471 -14.821 442 HA TRP 58 HA TRP 58 9.228 -2.310 -12.350 443 HB2 TRP 58 1HB TRP 58 9.921 -2.275 -15.247 444 HB3 TRP 58 2HB TRP 58 11.089 -1.596 -14.117 445 HD1 TRP 58 HD TRP 58 9.959 -4.833 -15.547 446 HE1 TRP 58 1HE TRP 58 11.143 -6.790 -14.366 447 HE3 TRP 58 3HE TRP 58 11.965 -2.298 -11.586 448 HZ2 TRP 58 2HZ TRP 58 12.719 -7.204 -12.061 449 HZ3 TRP 58 3HZ TRP 58 13.297 -3.548 -9.938 450 HH2 TRP 58 HH TRP 58 13.665 -5.950 -10.172 451 H ILE 59 H ILE 59 8.997 -0.536 -11.138 452 HA ILE 59 HA ILE 59 9.052 2.088 -12.472 453 HB ILE 59 HB ILE 59 7.056 1.485 -11.022 454 HG12 ILE 59 1HG1 ILE 59 8.581 3.913 -10.076 455 HG13 ILE 59 2HG1 ILE 59 7.824 3.820 -11.663 456 HG21 ILE 59 1HG2 ILE 59 9.166 1.719 -8.889 457 HG22 ILE 59 2HG2 ILE 59 7.440 1.868 -8.564 458 HG23 ILE 59 3HG2 ILE 59 8.088 0.360 -9.207 459 HD11 ILE 59 1HD1 ILE 59 6.015 3.108 -9.502 460 HD12 ILE 59 2HD1 ILE 59 6.652 4.748 -9.370 461 HD13 ILE 59 3HD1 ILE 59 5.807 4.246 -10.834 462 H ASP 60 H ASP 60 10.454 3.681 -11.783 463 HA ASP 60 HA ASP 60 12.927 2.813 -10.694 464 HB2 ASP 60 1HB ASP 60 11.843 5.573 -11.278 465 HB3 ASP 60 2HB ASP 60 13.490 5.270 -10.730 466 H ALA 61 H ALA 61 13.591 2.701 -8.652 467 HA ALA 61 HA ALA 61 11.857 3.116 -6.481 468 HB1 ALA 61 1HB ALA 61 14.846 3.035 -6.220 469 HB2 ALA 61 2HB ALA 61 13.621 2.437 -5.100 470 HB3 ALA 61 3HB ALA 61 13.907 1.598 -6.624 471 H ASP 62 H ASP 62 13.905 5.274 -8.192 472 HA ASP 62 HA ASP 62 13.931 7.231 -6.026 473 HB2 ASP 62 1HB ASP 62 15.128 7.438 -8.796 474 HB3 ASP 62 2HB ASP 62 15.422 8.525 -7.442 475 H SER 63 H SER 63 11.886 6.327 -8.463 476 HA SER 63 HA SER 63 11.063 8.700 -9.660 477 HB2 SER 63 1HB SER 63 10.339 6.301 -10.199 478 HB3 SER 63 2HB SER 63 9.157 6.486 -8.904 479 HG SER 63 HG SER 63 8.020 7.243 -10.535 480 HA PRO 64 HA PRO 64 9.236 10.987 -6.363 481 HB2 PRO 64 1HB PRO 64 7.735 12.690 -7.852 482 HB3 PRO 64 2HB PRO 64 9.492 12.829 -7.712 483 HG2 PRO 64 1HG PRO 64 7.857 11.612 -9.905 484 HG3 PRO 64 2HG PRO 64 9.281 12.662 -10.022 485 HD2 PRO 64 1HD PRO 64 9.422 9.976 -10.330 486 HD3 PRO 64 2HD PRO 64 10.748 10.928 -9.631 487 H ASP 65 H ASP 65 7.335 9.353 -8.790 488 HA ASP 65 HA ASP 65 4.781 9.804 -7.643 489 HB2 ASP 65 1HB ASP 65 5.452 7.356 -9.250 490 HB3 ASP 65 2HB ASP 65 3.956 8.285 -9.221 491 H ILE 66 H ILE 66 7.310 7.468 -7.064 492 HA ILE 66 HA ILE 66 5.777 5.585 -5.614 493 HB ILE 66 HB ILE 66 8.727 6.199 -5.600 494 HG12 ILE 66 1HG1 ILE 66 7.129 3.884 -6.717 495 HG13 ILE 66 2HG1 ILE 66 7.801 5.211 -7.659 496 HG21 ILE 66 1HG2 ILE 66 7.204 4.698 -3.683 497 HG22 ILE 66 2HG2 ILE 66 8.312 3.636 -4.550 498 HG23 ILE 66 3HG2 ILE 66 8.931 5.056 -3.707 499 HD11 ILE 66 1HD1 ILE 66 9.315 3.488 -7.969 500 HD12 ILE 66 2HD1 ILE 66 10.062 4.460 -6.701 501 HD13 ILE 66 3HD1 ILE 66 9.219 2.967 -6.287 502 H HIS 67 H HIS 67 4.995 5.639 -3.611 503 HA HIS 67 HA HIS 67 6.118 7.583 -1.708 504 HB2 HIS 67 1HB HIS 67 3.184 6.963 -2.107 505 HB3 HIS 67 2HB HIS 67 3.845 8.022 -0.865 506 HD1 HIS 67 1HD HIS 67 5.509 9.986 -2.142 507 HD2 HIS 67 2HD HIS 67 2.221 8.428 -4.147 508 HE1 HIS 67 1HE HIS 67 4.952 11.667 -3.927 509 HE2 HIS 67 2HE HIS 67 2.908 10.744 -5.073 510 HA PRO 68 HA PRO 68 6.466 4.107 0.978 511 HB2 PRO 68 1HB PRO 68 6.700 5.438 3.333 512 HB3 PRO 68 2HB PRO 68 8.003 5.358 2.142 513 HG2 PRO 68 1HG PRO 68 6.030 7.552 2.647 514 HG3 PRO 68 2HG PRO 68 7.772 7.664 2.336 515 HD2 PRO 68 1HD PRO 68 5.918 8.130 0.419 516 HD3 PRO 68 2HD PRO 68 7.509 7.429 0.058 517 H VAL 69 H VAL 69 5.337 2.983 2.635 518 HA VAL 69 HA VAL 69 2.553 3.171 2.542 519 HB VAL 69 HB VAL 69 4.287 1.842 4.630 520 HG11 VAL 69 1HG1 VAL 69 2.450 1.288 5.745 521 HG12 VAL 69 2HG1 VAL 69 1.507 2.312 4.660 522 HG13 VAL 69 3HG1 VAL 69 1.736 0.603 4.285 523 HG21 VAL 69 1HG2 VAL 69 3.936 -0.183 3.364 524 HG22 VAL 69 2HG2 VAL 69 2.894 0.669 2.224 525 HG23 VAL 69 3HG2 VAL 69 4.613 1.055 2.306 526 H GLY 70 H GLY 70 1.553 5.011 3.153 527 HA2 GLY 70 1HA GLY 70 0.499 5.884 5.241 528 HA3 GLY 70 2HA GLY 70 2.134 6.017 5.871 529 H TRP 71 H TRP 71 1.927 6.768 2.577 530 HA TRP 71 HA TRP 71 2.595 9.508 3.072 531 HB2 TRP 71 1HB TRP 71 3.695 8.668 1.206 532 HB3 TRP 71 2HB TRP 71 2.273 7.805 0.629 533 HD1 TRP 71 HD TRP 71 4.206 10.912 0.061 534 HE1 TRP 71 1HE TRP 71 2.944 12.473 -1.550 535 HE3 TRP 71 3HE TRP 71 -0.348 8.590 0.082 536 HZ2 TRP 71 2HZ TRP 71 0.359 12.692 -2.663 537 HZ3 TRP 71 3HZ TRP 71 -2.162 9.539 -1.283 538 HH2 TRP 71 HH TRP 71 -1.814 11.548 -2.626 539 H CYS 72 H CYS 72 -0.309 7.771 2.432 540 HA CYS 72 HA CYS 72 -1.871 9.777 1.254 541 HB2 CYS 72 1HB CYS 72 -3.801 8.483 2.007 542 HB3 CYS 72 2HB CYS 72 -2.557 7.415 1.371 543 HG CYS 72 HG CYS 72 -3.145 7.958 4.700 544 H SER 73 H SER 73 -0.948 9.200 4.572 545 HA SER 73 HA SER 73 -2.825 11.129 5.630 546 HB2 SER 73 1HB SER 73 -0.562 9.591 6.924 547 HB3 SER 73 2HB SER 73 -1.645 10.677 7.794 548 HG SER 73 HG SER 73 -2.207 8.207 6.568 549 H LYS 74 H LYS 74 0.728 10.895 5.861 550 HA LYS 74 HA LYS 74 1.451 13.294 6.753 551 HB2 LYS 74 1HB LYS 74 3.508 13.072 5.671 552 HB3 LYS 74 2HB LYS 74 2.913 11.419 5.749 553 HG2 LYS 74 1HG LYS 74 1.994 11.845 3.394 554 HG3 LYS 74 2HG LYS 74 3.064 13.250 3.384 555 HD2 LYS 74 1HD LYS 74 4.077 10.513 4.087 556 HD3 LYS 74 2HD LYS 74 3.952 11.045 2.409 557 HE2 LYS 74 1HE LYS 74 5.335 12.781 4.405 558 HE3 LYS 74 2HE LYS 74 6.176 11.377 3.749 559 HZ1 LYS 74 1HZ LYS 74 5.070 12.634 1.574 560 HZ2 LYS 74 2HZ LYS 74 6.699 12.654 2.030 561 HZ3 LYS 74 3HZ LYS 74 5.665 13.896 2.531 562 H THR 75 H THR 75 0.090 12.705 3.576 563 HA THR 75 HA THR 75 0.322 15.550 2.907 564 HB THR 75 HB THR 75 -0.290 14.947 0.644 565 HG1 THR 75 1HG THR 75 -0.563 12.612 0.218 566 HG21 THR 75 1HG2 THR 75 1.561 13.338 0.116 567 HG22 THR 75 2HG2 THR 75 1.790 13.126 1.852 568 HG23 THR 75 3HG2 THR 75 2.045 14.707 1.116 569 H GLY 76 H GLY 76 -2.106 12.956 3.100 570 HA2 GLY 76 1HA GLY 76 -4.225 13.428 4.190 571 HA3 GLY 76 2HA GLY 76 -4.143 15.050 3.519 572 H HIS 77 H HIS 77 -3.182 12.515 1.428 573 HA HIS 77 HA HIS 77 -5.531 12.987 -0.224 574 HB2 HIS 77 1HB HIS 77 -2.822 11.820 -0.664 575 HB3 HIS 77 2HB HIS 77 -4.124 11.314 -1.736 576 HD1 HIS 77 1HD HIS 77 -3.336 14.777 -0.372 577 HD2 HIS 77 2HD HIS 77 -3.712 12.761 -3.986 578 HE1 HIS 77 1HE HIS 77 -3.075 16.534 -2.153 579 HE2 HIS 77 2HE HIS 77 -3.391 15.304 -4.329 580 HA PRO 78 HA PRO 78 -7.622 9.288 0.909 581 HB2 PRO 78 1HB PRO 78 -9.082 8.890 -1.345 582 HB3 PRO 78 2HB PRO 78 -9.450 10.162 -0.175 583 HG2 PRO 78 1HG PRO 78 -7.981 10.349 -2.776 584 HG3 PRO 78 2HG PRO 78 -9.203 11.442 -2.100 585 HD2 PRO 78 1HD PRO 78 -6.550 11.977 -1.992 586 HD3 PRO 78 2HD PRO 78 -7.682 12.496 -0.726 587 H LEU 79 H LEU 79 -7.181 7.161 0.851 588 HA LEU 79 HA LEU 79 -5.539 6.166 -1.379 589 HB2 LEU 79 1HB LEU 79 -4.556 6.169 0.927 590 HB3 LEU 79 2HB LEU 79 -5.788 4.995 1.385 591 HG LEU 79 HG LEU 79 -4.824 3.528 -0.478 592 HD11 LEU 79 1HD1 LEU 79 -3.520 5.394 -1.507 593 HD12 LEU 79 2HD1 LEU 79 -2.582 3.939 -1.173 594 HD13 LEU 79 3HD1 LEU 79 -2.447 5.338 -0.109 595 HD21 LEU 79 1HD2 LEU 79 -2.838 3.982 1.706 596 HD22 LEU 79 2HD2 LEU 79 -3.448 2.467 1.038 597 HD23 LEU 79 3HD2 LEU 79 -4.468 3.437 2.102 598 H GLN 80 H GLN 80 -6.157 4.401 -2.519 599 HA GLN 80 HA GLN 80 -8.832 3.346 -1.945 600 HB2 GLN 80 1HB GLN 80 -7.157 3.227 -4.458 601 HB3 GLN 80 2HB GLN 80 -8.752 2.508 -4.285 602 HG2 GLN 80 1HG GLN 80 -8.210 5.439 -3.907 603 HG3 GLN 80 2HG GLN 80 -8.680 4.724 -5.448 604 HE21 GLN 80 1HE2 GLN 80 -10.233 6.659 -4.422 605 HE22 GLN 80 2HE2 GLN 80 -11.720 6.005 -3.834 606 HA PRO 81 HA PRO 81 -7.100 -0.470 -0.553 607 HB2 PRO 81 1HB PRO 81 -9.355 -1.974 -0.709 608 HB3 PRO 81 2HB PRO 81 -9.085 -0.776 0.563 609 HG2 PRO 81 1HG PRO 81 -10.688 -0.538 -1.954 610 HG3 PRO 81 2HG PRO 81 -11.089 0.010 -0.316 611 HD2 PRO 81 1HD PRO 81 -10.157 1.688 -2.227 612 HD3 PRO 81 2HD PRO 81 -9.801 1.912 -0.502 613 HA PRO 82 HA PRO 82 -6.072 -2.799 -4.148 614 HB2 PRO 82 1HB PRO 82 -5.506 -5.201 -3.015 615 HB3 PRO 82 2HB PRO 82 -4.443 -3.796 -2.870 616 HG2 PRO 82 1HG PRO 82 -6.445 -4.866 -0.919 617 HG3 PRO 82 2HG PRO 82 -4.803 -4.266 -0.621 618 HD2 PRO 82 1HD PRO 82 -7.009 -2.766 -0.158 619 HD3 PRO 82 2HD PRO 82 -5.465 -2.059 -0.676 620 H LEU 83 H LEU 83 -6.459 -5.326 -4.833 621 HA LEU 83 HA LEU 83 -9.329 -5.482 -5.201 622 HB2 LEU 83 1HB LEU 83 -6.936 -6.707 -6.443 623 HB3 LEU 83 2HB LEU 83 -8.430 -7.639 -6.500 624 HG LEU 83 HG LEU 83 -8.519 -4.808 -7.405 625 HD11 LEU 83 1HD1 LEU 83 -6.443 -5.973 -8.372 626 HD12 LEU 83 2HD1 LEU 83 -7.566 -5.202 -9.491 627 HD13 LEU 83 3HD1 LEU 83 -7.594 -6.953 -9.281 628 HD21 LEU 83 1HD2 LEU 83 -9.729 -6.955 -8.982 629 HD22 LEU 83 2HD2 LEU 83 -10.430 -5.453 -8.379 630 HD23 LEU 83 3HD2 LEU 83 -10.315 -6.860 -7.321 631 H SER 84 H SER 84 -10.054 -7.988 -5.333 632 HA SER 84 HA SER 84 -9.857 -8.904 -2.582 633 HB2 SER 84 1HB SER 84 -11.702 -9.394 -4.867 634 HB3 SER 84 2HB SER 84 -11.544 -10.676 -3.666 635 HG SER 84 HG SER 84 -11.959 -8.947 -2.082 636 HA PRO 85 HA PRO 85 -7.156 -12.301 -3.217 637 HB2 PRO 85 1HB PRO 85 -8.285 -14.247 -1.697 638 HB3 PRO 85 2HB PRO 85 -7.466 -12.842 -1.005 639 HG2 PRO 85 1HG PRO 85 -10.394 -13.324 -1.398 640 HG3 PRO 85 2HG PRO 85 -9.552 -12.631 0.001 641 HD2 PRO 85 1HD PRO 85 -10.825 -11.103 -1.837 642 HD3 PRO 85 2HD PRO 85 -9.372 -10.552 -0.979 643 H LEU 86 H LEU 86 -10.308 -12.372 -4.383 644 HA LEU 86 HA LEU 86 -10.234 -15.069 -5.428 645 HB2 LEU 86 1HB LEU 86 -12.390 -14.642 -6.294 646 HB3 LEU 86 2HB LEU 86 -12.327 -13.900 -4.697 647 HG LEU 86 HG LEU 86 -11.703 -11.757 -6.143 648 HD11 LEU 86 1HD1 LEU 86 -13.605 -13.137 -8.000 649 HD12 LEU 86 2HD1 LEU 86 -11.861 -13.247 -8.230 650 HD13 LEU 86 3HD1 LEU 86 -12.656 -11.674 -8.263 651 HD21 LEU 86 1HD2 LEU 86 -13.685 -11.013 -5.420 652 HD22 LEU 86 2HD2 LEU 86 -13.865 -12.615 -4.705 653 HD23 LEU 86 3HD2 LEU 86 -14.577 -12.267 -6.281 654 H GLU 87 H GLU 87 -9.759 -11.786 -6.607 655 HA GLU 87 HA GLU 87 -9.716 -12.252 -9.344 656 HB2 GLU 87 1HB GLU 87 -8.026 -10.311 -7.757 657 HB3 GLU 87 2HB GLU 87 -8.281 -10.247 -9.496 658 HG2 GLU 87 1HG GLU 87 -10.633 -10.208 -7.666 659 HG3 GLU 87 2HG GLU 87 -9.680 -8.743 -7.899 660 H LEU 88 H LEU 88 -7.214 -12.764 -6.925 661 HA LEU 88 HA LEU 88 -4.991 -13.146 -8.510 662 HB2 LEU 88 1HB LEU 88 -5.759 -14.735 -6.065 663 HB3 LEU 88 2HB LEU 88 -4.137 -14.597 -6.741 664 HG LEU 88 HG LEU 88 -5.587 -12.141 -5.840 665 HD11 LEU 88 1HD1 LEU 88 -4.549 -12.435 -3.613 666 HD12 LEU 88 2HD1 LEU 88 -4.111 -14.081 -4.067 667 HD13 LEU 88 3HD1 LEU 88 -5.809 -13.620 -3.955 668 HD21 LEU 88 1HD2 LEU 88 -3.590 -11.153 -6.059 669 HD22 LEU 88 2HD2 LEU 88 -3.168 -12.562 -7.032 670 HD23 LEU 88 3HD2 LEU 88 -2.730 -12.506 -5.324 671 H MET 89 H MET 89 -7.624 -15.390 -7.825 672 HA MET 89 HA MET 89 -6.765 -17.789 -8.664 673 HB2 MET 89 1HB MET 89 -9.162 -16.989 -8.107 674 HB3 MET 89 2HB MET 89 -9.313 -16.712 -9.836 675 HG2 MET 89 1HG MET 89 -8.860 -19.043 -10.285 676 HG3 MET 89 2HG MET 89 -8.600 -19.345 -8.568 677 HE1 MET 89 1HE MET 89 -10.197 -18.853 -6.819 678 HE2 MET 89 2HE MET 89 -11.424 -17.659 -7.245 679 HE3 MET 89 3HE MET 89 -11.892 -19.330 -6.924 680 H GLU 90 H GLU 90 -6.648 -18.937 -10.659 681 HA GLU 90 HA GLU 90 -5.712 -17.251 -12.854 682 HB2 GLU 90 1HB GLU 90 -4.757 -19.323 -13.768 683 HB3 GLU 90 2HB GLU 90 -4.221 -19.032 -12.119 684 HG2 GLU 90 1HG GLU 90 -6.280 -20.576 -11.547 685 HG3 GLU 90 2HG GLU 90 -6.005 -21.146 -13.193 686 H ALA 91 H ALA 91 -6.279 -17.866 -15.084 687 HA ALA 91 HA ALA 91 -9.116 -18.619 -15.240 688 HB1 ALA 91 1HB ALA 91 -8.133 -17.536 -17.695 689 HB2 ALA 91 2HB ALA 91 -9.363 -16.891 -16.608 690 HB3 ALA 91 3HB ALA 91 -7.665 -16.481 -16.361 691 H SER 92 H SER 92 -9.662 -19.569 -17.512 692 HA SER 92 HA SER 92 -7.628 -21.349 -18.560 693 HB2 SER 92 1HB SER 92 -10.110 -22.398 -17.183 694 HB3 SER 92 2HB SER 92 -9.073 -23.372 -18.224 695 HG SER 92 HG SER 92 -8.413 -22.145 -15.759 696 H GLU 93 H GLU 93 -8.284 -22.419 -20.525 697 HA GLU 93 HA GLU 93 -10.076 -20.779 -22.080 698 HB2 GLU 93 1HB GLU 93 -9.300 -22.043 -23.984 699 HB3 GLU 93 2HB GLU 93 -7.920 -21.609 -22.985 700 HG2 GLU 93 1HG GLU 93 -7.429 -23.785 -23.433 701 HG3 GLU 93 2HG GLU 93 -8.337 -23.975 -21.935 702 H HIS 94 H HIS 94 -12.082 -21.268 -22.768 703 HA HIS 94 HA HIS 94 -13.106 -23.947 -22.778 704 HB2 HIS 94 1HB HIS 94 -13.226 -22.949 -20.330 705 HB3 HIS 94 2HB HIS 94 -14.648 -22.134 -20.973 706 HD1 HIS 94 1HD HIS 94 -13.782 -25.070 -19.216 707 HD2 HIS 94 2HD HIS 94 -16.412 -24.236 -22.322 708 HE1 HIS 94 1HE HIS 94 -15.434 -26.965 -19.225 709 HE2 HIS 94 2HE HIS 94 -16.964 -26.483 -21.167 710 H GLY 95 H GLY 95 -14.742 -24.144 -24.211 711 HA2 GLY 95 1HA GLY 95 -16.820 -23.190 -25.129 712 HA3 GLY 95 2HA GLY 95 -15.986 -21.644 -25.178 713 H GLY 96 H GLY 96 -17.255 -23.550 -27.238 714 HA2 GLY 96 1HA GLY 96 -16.476 -23.034 -29.576 715 HA3 GLY 96 2HA GLY 96 -14.924 -23.669 -29.051 716 H CYS 97 H CYS 97 -15.122 -25.959 -28.053 717 HA CYS 97 HA CYS 97 -16.249 -27.632 -30.093 718 HB2 CYS 97 1HB CYS 97 -14.684 -28.159 -27.577 719 HB3 CYS 97 2HB CYS 97 -15.379 -29.478 -28.511 720 HG CYS 97 HG CYS 97 -13.688 -27.448 -30.489 721 H SER 98 H SER 98 -18.485 -27.332 -29.952 722 HA SER 98 HA SER 98 -19.757 -28.913 -27.867 723 HB2 SER 98 1HB SER 98 -20.457 -26.015 -28.385 724 HB3 SER 98 2HB SER 98 -21.468 -27.125 -27.459 725 HG SER 98 HG SER 98 -19.556 -25.673 -26.514 726 H THR 99 H THR 99 -21.225 -30.202 -28.751 727 HA THR 99 HA THR 99 -21.936 -29.917 -31.520 728 HB THR 99 HB THR 99 -23.307 -31.981 -31.117 729 HG1 THR 99 1HG THR 99 -23.357 -31.328 -28.699 730 HG21 THR 99 1HG2 THR 99 -21.158 -33.327 -30.318 731 HG22 THR 99 2HG2 THR 99 -20.384 -31.771 -30.618 732 HG23 THR 99 3HG2 THR 99 -21.254 -32.589 -31.916 733 HA PRO 100 HA PRO 100 -25.679 -27.647 -31.013 734 HB2 PRO 100 1HB PRO 100 -26.898 -28.337 -33.339 735 HB3 PRO 100 2HB PRO 100 -25.538 -27.211 -33.265 736 HG2 PRO 100 1HG PRO 100 -25.551 -30.122 -33.963 737 HG3 PRO 100 2HG PRO 100 -24.678 -28.788 -34.741 738 HD2 PRO 100 1HD PRO 100 -23.490 -30.487 -32.998 739 HD3 PRO 100 2HD PRO 100 -23.011 -28.785 -33.149 740 H GLY 101 H GLY 101 -27.301 -28.174 -29.696 741 HA2 GLY 101 1HA GLY 101 -28.741 -30.702 -30.198 742 HA3 GLY 101 2HA GLY 101 -28.284 -30.221 -28.571 743 H SER 102 H SER 102 -29.210 -28.205 -27.738 744 HA SER 102 HA SER 102 -31.975 -27.921 -28.662 745 HB2 SER 102 1HB SER 102 -31.172 -28.390 -26.182 746 HB3 SER 102 2HB SER 102 -30.988 -26.637 -26.149 747 HG SER 102 HG SER 102 -33.349 -28.078 -26.793 748 H GLY 103 H GLY 103 -32.627 -26.172 -29.728 749 HA2 GLY 103 1HA GLY 103 -32.598 -23.646 -29.575 750 HA3 GLY 103 2HA GLY 103 -30.854 -23.810 -29.713 751 HA PRO 104 HA PRO 104 -32.296 -23.026 -33.977 752 HB2 PRO 104 1HB PRO 104 -30.036 -21.717 -34.720 753 HB3 PRO 104 2HB PRO 104 -31.370 -20.926 -33.872 754 HG2 PRO 104 1HG PRO 104 -28.789 -21.975 -32.779 755 HG3 PRO 104 2HG PRO 104 -29.625 -20.455 -32.409 756 HD2 PRO 104 1HD PRO 104 -29.753 -22.620 -30.788 757 HD3 PRO 104 2HD PRO 104 -31.097 -21.473 -30.957 758 H SER 105 H SER 105 -30.782 -23.244 -36.069 759 HA SER 105 HA SER 105 -28.964 -25.516 -35.777 760 HB2 SER 105 1HB SER 105 -31.374 -26.280 -36.280 761 HB3 SER 105 2HB SER 105 -31.119 -25.590 -37.883 762 HG SER 105 HG SER 105 -30.586 -27.920 -37.503 763 H SER 106 H SER 106 -27.626 -25.880 -37.656 764 HA SER 106 HA SER 106 -26.988 -23.383 -38.993 765 HB2 SER 106 1HB SER 106 -25.249 -24.905 -37.942 766 HB3 SER 106 2HB SER 106 -25.546 -26.023 -39.273 767 HG SER 106 HG SER 106 -23.865 -24.085 -39.308 768 H GLY 107 H GLY 107 -26.865 -23.111 -41.239 769 HA2 GLY 107 1HA GLY 107 -28.194 -25.197 -42.846 770 HA3 GLY 107 2HA GLY 107 -28.696 -23.517 -42.961 Start of MODEL 3 1 H1 GLY 1 H GLY 1 9.767 -8.646 8.982 2 HA2 GLY 1 1HA GLY 1 10.255 -8.537 11.819 3 HA3 GLY 1 2HA GLY 1 10.803 -10.034 11.079 4 H SER 2 H SER 2 12.652 -8.509 12.294 5 HA SER 2 HA SER 2 14.063 -7.181 10.072 6 HB2 SER 2 1HB SER 2 14.134 -6.621 13.040 7 HB3 SER 2 2HB SER 2 15.321 -5.966 11.912 8 HG SER 2 HG SER 2 13.753 -4.786 10.934 9 H SER 3 H SER 3 15.222 -8.891 9.287 10 HA SER 3 HA SER 3 16.504 -10.849 10.847 11 HB2 SER 3 1HB SER 3 16.668 -9.957 8.007 12 HB3 SER 3 2HB SER 3 17.968 -10.975 8.625 13 HG SER 3 HG SER 3 15.192 -11.565 8.613 14 H GLY 4 H GLY 4 17.812 -7.942 9.254 15 HA2 GLY 4 1HA GLY 4 19.379 -6.817 11.033 16 HA3 GLY 4 2HA GLY 4 20.311 -8.278 10.745 17 H SER 5 H SER 5 21.278 -5.674 10.286 18 HA SER 5 HA SER 5 21.519 -5.685 7.348 19 HB2 SER 5 1HB SER 5 21.640 -3.296 9.206 20 HB3 SER 5 2HB SER 5 21.890 -3.247 7.461 21 HG SER 5 HG SER 5 19.680 -2.793 8.431 22 H SER 6 H SER 6 23.400 -6.727 7.019 23 HA SER 6 HA SER 6 25.835 -5.436 7.861 24 HB2 SER 6 1HB SER 6 25.071 -8.161 8.900 25 HB3 SER 6 2HB SER 6 26.755 -7.655 8.771 26 HG SER 6 HG SER 6 24.990 -5.909 10.032 27 H GLY 7 H GLY 7 27.173 -5.479 6.183 28 HA2 GLY 7 1HA GLY 7 28.484 -6.651 4.566 29 HA3 GLY 7 2HA GLY 7 27.204 -7.850 4.447 30 H VAL 8 H VAL 8 25.030 -6.822 3.693 31 HA VAL 8 HA VAL 8 25.500 -5.772 1.085 32 HB VAL 8 HB VAL 8 23.059 -5.715 0.862 33 HG11 VAL 8 1HG1 VAL 8 22.851 -8.248 1.896 34 HG12 VAL 8 2HG1 VAL 8 23.503 -7.837 0.309 35 HG13 VAL 8 3HG1 VAL 8 24.590 -8.060 1.680 36 HG21 VAL 8 1HG2 VAL 8 21.582 -5.857 2.581 37 HG22 VAL 8 2HG2 VAL 8 22.641 -6.879 3.554 38 HG23 VAL 8 3HG2 VAL 8 22.929 -5.141 3.466 39 H LYS 9 H LYS 9 24.043 -3.869 0.333 40 HA LYS 9 HA LYS 9 23.892 -1.714 2.288 41 HB2 LYS 9 1HB LYS 9 25.264 -0.193 1.074 42 HB3 LYS 9 2HB LYS 9 26.196 -1.672 1.265 43 HG2 LYS 9 1HG LYS 9 25.460 -2.317 -1.046 44 HG3 LYS 9 2HG LYS 9 24.793 -0.691 -1.205 45 HD2 LYS 9 1HD LYS 9 26.962 0.292 -0.915 46 HD3 LYS 9 2HD LYS 9 27.671 -1.275 -0.519 47 HE2 LYS 9 1HE LYS 9 28.237 -0.746 -2.784 48 HE3 LYS 9 2HE LYS 9 27.057 -2.056 -2.802 49 HZ1 LYS 9 1HZ LYS 9 25.620 -0.810 -3.925 50 HZ2 LYS 9 2HZ LYS 9 26.884 0.281 -4.195 51 HZ3 LYS 9 3HZ LYS 9 25.822 0.521 -2.900 52 HA PRO 10 HA PRO 10 20.264 -0.739 -0.002 53 HB2 PRO 10 1HB PRO 10 19.955 1.854 0.739 54 HB3 PRO 10 2HB PRO 10 19.622 0.499 1.824 55 HG2 PRO 10 1HG PRO 10 22.051 2.242 1.660 56 HG3 PRO 10 2HG PRO 10 21.185 1.662 3.094 57 HD2 PRO 10 1HD PRO 10 23.475 0.518 2.213 58 HD3 PRO 10 2HD PRO 10 22.194 -0.409 3.021 59 HA PRO 11 HA PRO 11 22.304 1.013 -3.638 60 HB2 PRO 11 1HB PRO 11 20.446 0.098 -5.392 61 HB3 PRO 11 2HB PRO 11 21.743 -0.917 -4.751 62 HG2 PRO 11 1HG PRO 11 18.880 -0.735 -3.894 63 HG3 PRO 11 2HG PRO 11 19.892 -2.174 -4.115 64 HD2 PRO 11 1HD PRO 11 19.393 -1.104 -1.678 65 HD3 PRO 11 2HD PRO 11 20.922 -1.919 -2.068 66 H HIS 12 H HIS 12 18.794 1.137 -3.045 67 HA HIS 12 HA HIS 12 18.831 3.941 -3.945 68 HB2 HIS 12 1HB HIS 12 16.307 3.312 -4.535 69 HB3 HIS 12 2HB HIS 12 17.620 3.088 -5.688 70 HD1 HIS 12 1HD HIS 12 15.578 1.099 -3.194 71 HD2 HIS 12 2HD HIS 12 17.960 0.518 -6.548 72 HE1 HIS 12 1HE HIS 12 15.332 -1.334 -3.780 73 HE2 HIS 12 2HE HIS 12 16.849 -1.681 -5.761 74 H GLY 13 H GLY 13 17.214 1.502 -1.947 75 HA2 GLY 13 1HA GLY 13 16.999 2.334 0.443 76 HA3 GLY 13 2HA GLY 13 16.145 3.690 -0.278 77 H PHE 14 H PHE 14 15.807 0.425 -1.474 78 HA PHE 14 HA PHE 14 13.172 0.224 -0.188 79 HB2 PHE 14 1HB PHE 14 13.796 -0.174 -3.117 80 HB3 PHE 14 2HB PHE 14 12.309 -0.736 -2.360 81 HD1 PHE 14 1HD PHE 14 14.338 2.393 -2.542 82 HD2 PHE 14 2HD PHE 14 10.473 0.611 -2.579 83 HE1 PHE 14 1HE PHE 14 13.324 4.606 -2.902 84 HE2 PHE 14 2HE PHE 14 9.453 2.821 -2.941 85 HZ PHE 14 HZ PHE 14 10.879 4.822 -3.104 86 H GLN 15 H GLN 15 12.313 -1.960 -0.107 87 HA GLN 15 HA GLN 15 14.385 -4.038 -0.335 88 HB2 GLN 15 1HB GLN 15 12.386 -3.761 1.916 89 HB3 GLN 15 2HB GLN 15 13.570 -5.050 1.740 90 HG2 GLN 15 1HG GLN 15 15.376 -3.420 1.964 91 HG3 GLN 15 2HG GLN 15 14.186 -2.133 2.150 92 HE21 GLN 15 1HE2 GLN 15 16.190 -4.160 3.776 93 HE22 GLN 15 2HE2 GLN 15 15.421 -4.152 5.323 94 H LYS 16 H LYS 16 13.329 -6.291 -0.116 95 HA LYS 16 HA LYS 16 11.050 -6.337 -1.956 96 HB2 LYS 16 1HB LYS 16 13.237 -8.266 -1.283 97 HB3 LYS 16 2HB LYS 16 11.730 -8.878 -1.952 98 HG2 LYS 16 1HG LYS 16 12.093 -7.946 -3.998 99 HG3 LYS 16 2HG LYS 16 13.050 -6.614 -3.345 100 HD2 LYS 16 1HD LYS 16 14.584 -7.972 -4.505 101 HD3 LYS 16 2HD LYS 16 14.820 -8.360 -2.799 102 HE2 LYS 16 1HE LYS 16 12.907 -9.969 -4.435 103 HE3 LYS 16 2HE LYS 16 14.639 -10.268 -4.576 104 HZ1 LYS 16 1HZ LYS 16 14.415 -10.278 -1.955 105 HZ2 LYS 16 2HZ LYS 16 14.168 -11.671 -2.882 106 HZ3 LYS 16 3HZ LYS 16 12.842 -10.775 -2.334 107 H LYS 17 H LYS 17 9.236 -7.667 -1.577 108 HA LYS 17 HA LYS 17 7.606 -8.688 -0.355 109 HB2 LYS 17 1HB LYS 17 9.681 -9.159 1.786 110 HB3 LYS 17 2HB LYS 17 8.182 -10.044 1.534 111 HG2 LYS 17 1HG LYS 17 9.105 -10.805 -0.665 112 HG3 LYS 17 2HG LYS 17 10.644 -10.081 -0.192 113 HD2 LYS 17 1HD LYS 17 10.715 -12.420 0.335 114 HD3 LYS 17 2HD LYS 17 10.615 -11.514 1.847 115 HE2 LYS 17 1HE LYS 17 8.413 -12.139 2.221 116 HE3 LYS 17 2HE LYS 17 8.126 -12.513 0.523 117 HZ1 LYS 17 1HZ LYS 17 9.014 -14.223 2.605 118 HZ2 LYS 17 2HZ LYS 17 10.129 -14.219 1.334 119 HZ3 LYS 17 3HZ LYS 17 8.512 -14.619 1.039 120 H MET 18 H MET 18 8.365 -5.833 -0.070 121 HA MET 18 HA MET 18 7.242 -5.323 2.605 122 HB2 MET 18 1HB MET 18 8.445 -3.334 2.741 123 HB3 MET 18 2HB MET 18 9.579 -4.422 1.952 124 HG2 MET 18 1HG MET 18 9.159 -3.446 -0.175 125 HG3 MET 18 2HG MET 18 7.804 -2.512 0.459 126 HE1 MET 18 1HE MET 18 8.874 -0.890 -0.980 127 HE2 MET 18 2HE MET 18 9.629 0.474 -0.155 128 HE3 MET 18 3HE MET 18 10.626 -0.689 -1.031 129 H LYS 19 H LYS 19 6.271 -2.884 2.483 130 HA LYS 19 HA LYS 19 4.361 -2.899 0.238 131 HB2 LYS 19 1HB LYS 19 3.901 -2.294 3.156 132 HB3 LYS 19 2HB LYS 19 2.768 -1.807 1.902 133 HG2 LYS 19 1HG LYS 19 3.608 -4.633 2.520 134 HG3 LYS 19 2HG LYS 19 2.075 -3.880 2.967 135 HD2 LYS 19 1HD LYS 19 1.635 -3.507 0.538 136 HD3 LYS 19 2HD LYS 19 3.088 -4.444 0.183 137 HE2 LYS 19 1HE LYS 19 1.045 -5.647 1.977 138 HE3 LYS 19 2HE LYS 19 0.683 -5.554 0.254 139 HZ1 LYS 19 1HZ LYS 19 3.105 -6.813 1.424 140 HZ2 LYS 19 2HZ LYS 19 2.703 -6.766 -0.218 141 HZ3 LYS 19 3HZ LYS 19 1.747 -7.651 0.861 142 H LEU 20 H LEU 20 3.625 -0.865 -0.514 143 HA LEU 20 HA LEU 20 4.606 1.592 0.541 144 HB2 LEU 20 1HB LEU 20 6.312 2.132 -0.859 145 HB3 LEU 20 2HB LEU 20 6.549 0.388 -0.771 146 HG LEU 20 HG LEU 20 4.982 0.473 -2.927 147 HD11 LEU 20 1HD1 LEU 20 6.240 2.571 -4.126 148 HD12 LEU 20 2HD1 LEU 20 5.899 3.221 -2.523 149 HD13 LEU 20 3HD1 LEU 20 4.585 2.594 -3.518 150 HD21 LEU 20 1HD2 LEU 20 7.033 0.414 -4.276 151 HD22 LEU 20 2HD2 LEU 20 7.173 -0.566 -2.816 152 HD23 LEU 20 3HD2 LEU 20 7.949 1.017 -2.894 153 H GLU 21 H GLU 21 3.519 3.336 -0.287 154 HA GLU 21 HA GLU 21 1.226 2.738 -1.932 155 HB2 GLU 21 1HB GLU 21 2.177 5.284 -0.616 156 HB3 GLU 21 2HB GLU 21 0.700 5.173 -1.562 157 HG2 GLU 21 1HG GLU 21 -0.051 3.371 0.018 158 HG3 GLU 21 2HG GLU 21 1.337 3.784 1.024 159 H VAL 22 H VAL 22 1.400 2.660 -4.067 160 HA VAL 22 HA VAL 22 3.319 4.439 -5.409 161 HB VAL 22 HB VAL 22 1.959 1.965 -6.488 162 HG11 VAL 22 1HG1 VAL 22 2.439 3.380 -8.316 163 HG12 VAL 22 2HG1 VAL 22 4.008 3.836 -7.649 164 HG13 VAL 22 3HG1 VAL 22 3.750 2.202 -8.263 165 HG21 VAL 22 1HG2 VAL 22 4.185 0.930 -6.308 166 HG22 VAL 22 2HG2 VAL 22 4.784 2.385 -5.510 167 HG23 VAL 22 3HG2 VAL 22 3.542 1.401 -4.735 168 H VAL 23 H VAL 23 2.693 5.560 -7.314 169 HA VAL 23 HA VAL 23 -0.143 6.293 -7.313 170 HB VAL 23 HB VAL 23 2.238 7.673 -8.558 171 HG11 VAL 23 1HG1 VAL 23 0.008 7.898 -9.766 172 HG12 VAL 23 2HG1 VAL 23 -0.546 8.783 -8.343 173 HG13 VAL 23 3HG1 VAL 23 0.813 9.393 -9.289 174 HG21 VAL 23 1HG2 VAL 23 2.430 8.877 -6.685 175 HG22 VAL 23 2HG2 VAL 23 0.686 9.103 -6.550 176 HG23 VAL 23 3HG2 VAL 23 1.435 7.634 -5.926 177 H ASP 24 H ASP 24 -1.426 5.398 -8.773 178 HA ASP 24 HA ASP 24 -0.627 3.747 -10.856 179 HB2 ASP 24 1HB ASP 24 -2.944 3.971 -9.815 180 HB3 ASP 24 2HB ASP 24 -3.184 5.348 -10.887 181 H LYS 25 H LYS 25 0.679 4.341 -12.463 182 HA LYS 25 HA LYS 25 1.274 6.791 -13.448 183 HB2 LYS 25 1HB LYS 25 0.937 4.635 -15.477 184 HB3 LYS 25 2HB LYS 25 2.282 5.740 -15.228 185 HG2 LYS 25 1HG LYS 25 1.622 3.260 -13.665 186 HG3 LYS 25 2HG LYS 25 3.042 3.570 -14.667 187 HD2 LYS 25 1HD LYS 25 2.430 5.306 -12.302 188 HD3 LYS 25 2HD LYS 25 3.253 3.758 -12.093 189 HE2 LYS 25 1HE LYS 25 5.144 4.464 -13.174 190 HE3 LYS 25 2HE LYS 25 4.272 5.628 -14.170 191 HZ1 LYS 25 1HZ LYS 25 5.264 5.912 -11.420 192 HZ2 LYS 25 2HZ LYS 25 3.904 6.799 -11.894 193 HZ3 LYS 25 3HZ LYS 25 5.369 6.994 -12.717 194 H ARG 26 H ARG 26 -1.268 4.684 -14.797 195 HA ARG 26 HA ARG 26 -2.237 6.573 -16.647 196 HB2 ARG 26 1HB ARG 26 -4.138 4.596 -15.513 197 HB3 ARG 26 2HB ARG 26 -3.806 5.004 -17.191 198 HG2 ARG 26 1HG ARG 26 -1.591 3.801 -16.888 199 HG3 ARG 26 2HG ARG 26 -2.263 3.179 -15.379 200 HD2 ARG 26 1HD ARG 26 -2.576 1.598 -17.217 201 HD3 ARG 26 2HD ARG 26 -4.121 2.186 -16.603 202 HE ARG 26 HE ARG 26 -3.549 3.854 -18.678 203 HH11 ARG 26 2HH1 ARG 26 -3.808 0.401 -18.313 204 HH12 ARG 26 1HH1 ARG 26 -4.339 0.138 -19.941 205 HH21 ARG 26 2HH2 ARG 26 -4.247 3.520 -20.824 206 HH22 ARG 26 1HH2 ARG 26 -4.588 1.912 -21.369 207 H ASN 27 H ASN 27 -2.855 6.067 -13.259 208 HA ASN 27 HA ASN 27 -4.678 8.376 -13.297 209 HB2 ASN 27 1HB ASN 27 -5.070 5.691 -12.078 210 HB3 ASN 27 2HB ASN 27 -5.631 7.082 -11.156 211 HD21 ASN 27 1HD2 ASN 27 -6.248 4.977 -13.744 212 HD22 ASN 27 2HD2 ASN 27 -7.690 5.731 -14.325 213 HA PRO 28 HA PRO 28 -1.223 9.436 -10.510 214 HB2 PRO 28 1HB PRO 28 -1.445 12.110 -10.923 215 HB3 PRO 28 2HB PRO 28 -0.562 11.039 -12.017 216 HG2 PRO 28 1HG PRO 28 -3.336 12.134 -12.269 217 HG3 PRO 28 2HG PRO 28 -2.077 11.982 -13.508 218 HD2 PRO 28 1HD PRO 28 -4.128 10.227 -13.292 219 HD3 PRO 28 2HD PRO 28 -2.515 9.746 -13.858 220 H MET 29 H MET 29 -4.564 10.328 -10.618 221 HA MET 29 HA MET 29 -4.468 11.603 -7.997 222 HB2 MET 29 1HB MET 29 -6.790 12.164 -8.365 223 HB3 MET 29 2HB MET 29 -5.862 12.583 -9.799 224 HG2 MET 29 1HG MET 29 -6.596 10.237 -10.634 225 HG3 MET 29 2HG MET 29 -7.846 10.394 -9.402 226 HE1 MET 29 1HE MET 29 -7.027 12.377 -13.228 227 HE2 MET 29 2HE MET 29 -6.908 13.741 -12.116 228 HE3 MET 29 3HE MET 29 -5.909 12.308 -11.866 229 H PHE 30 H PHE 30 -4.129 8.608 -8.707 230 HA PHE 30 HA PHE 30 -5.877 7.657 -6.551 231 HB2 PHE 30 1HB PHE 30 -5.536 6.410 -9.276 232 HB3 PHE 30 2HB PHE 30 -6.123 5.496 -7.891 233 HD1 PHE 30 2HD PHE 30 -6.853 8.310 -10.153 234 HD2 PHE 30 1HD PHE 30 -8.346 5.736 -7.109 235 HE1 PHE 30 2HE PHE 30 -9.136 9.113 -10.598 236 HE2 PHE 30 1HE PHE 30 -10.631 6.535 -7.550 237 HZ PHE 30 HZ PHE 30 -11.028 8.227 -9.295 238 H ILE 31 H ILE 31 -4.760 6.651 -5.022 239 HA ILE 31 HA ILE 31 -2.206 5.376 -5.752 240 HB ILE 31 HB ILE 31 -2.796 6.939 -3.236 241 HG12 ILE 31 1HG1 ILE 31 -0.651 7.516 -5.266 242 HG13 ILE 31 2HG1 ILE 31 -2.281 8.154 -5.457 243 HG21 ILE 31 1HG2 ILE 31 -0.143 5.756 -3.975 244 HG22 ILE 31 2HG2 ILE 31 -0.701 6.338 -2.407 245 HG23 ILE 31 3HG2 ILE 31 -1.338 4.832 -3.066 246 HD11 ILE 31 1HD1 ILE 31 -1.065 9.861 -4.429 247 HD12 ILE 31 2HD1 ILE 31 -1.996 9.124 -3.125 248 HD13 ILE 31 3HD1 ILE 31 -0.283 8.749 -3.307 249 H ARG 32 H ARG 32 -1.902 3.346 -5.046 250 HA ARG 32 HA ARG 32 -3.700 2.300 -2.968 251 HB2 ARG 32 1HB ARG 32 -3.015 0.950 -5.585 252 HB3 ARG 32 2HB ARG 32 -3.877 0.184 -4.257 253 HG2 ARG 32 1HG ARG 32 -5.500 2.217 -4.535 254 HG3 ARG 32 2HG ARG 32 -4.795 2.287 -6.152 255 HD2 ARG 32 1HD ARG 32 -5.356 -0.142 -6.401 256 HD3 ARG 32 2HD ARG 32 -6.232 -0.033 -4.875 257 HE ARG 32 HE ARG 32 -7.063 1.924 -6.800 258 HH11 ARG 32 2HH1 ARG 32 -7.467 -1.362 -5.723 259 HH12 ARG 32 1HH1 ARG 32 -9.065 -1.517 -6.375 260 HH21 ARG 32 2HH2 ARG 32 -9.166 1.732 -7.662 261 HH22 ARG 32 1HH2 ARG 32 -10.030 0.244 -7.478 262 H VAL 33 H VAL 33 -2.898 -0.001 -2.318 263 HA VAL 33 HA VAL 33 -0.213 0.317 -1.372 264 HB VAL 33 HB VAL 33 -2.122 -2.011 -1.133 265 HG11 VAL 33 1HG1 VAL 33 -0.474 -2.478 0.861 266 HG12 VAL 33 2HG1 VAL 33 -0.117 -3.063 -0.765 267 HG13 VAL 33 3HG1 VAL 33 0.664 -1.601 -0.161 268 HG21 VAL 33 1HG2 VAL 33 -3.114 -0.767 0.418 269 HG22 VAL 33 2HG2 VAL 33 -1.620 -0.810 1.354 270 HG23 VAL 33 3HG2 VAL 33 -1.914 0.511 0.223 271 H ALA 34 H ALA 34 1.615 -0.812 -1.925 272 HA ALA 34 HA ALA 34 1.420 -2.593 -4.263 273 HB1 ALA 34 1HB ALA 34 2.338 -0.191 -4.639 274 HB2 ALA 34 2HB ALA 34 3.799 -0.826 -3.881 275 HB3 ALA 34 3HB ALA 34 3.177 -1.567 -5.355 276 H THR 35 H THR 35 3.403 -3.965 -4.531 277 HA THR 35 HA THR 35 4.714 -4.584 -1.980 278 HB THR 35 HB THR 35 3.492 -6.694 -3.768 279 HG1 THR 35 1HG THR 35 2.544 -5.322 -1.529 280 HG21 THR 35 1HG2 THR 35 4.376 -7.232 -0.985 281 HG22 THR 35 2HG2 THR 35 5.629 -7.041 -2.212 282 HG23 THR 35 3HG2 THR 35 4.391 -8.283 -2.400 283 H VAL 36 H VAL 36 6.797 -4.231 -2.410 284 HA VAL 36 HA VAL 36 7.984 -4.364 -4.957 285 HB VAL 36 HB VAL 36 9.420 -4.621 -2.315 286 HG11 VAL 36 1HG1 VAL 36 10.250 -4.279 -5.099 287 HG12 VAL 36 2HG1 VAL 36 10.977 -3.120 -3.983 288 HG13 VAL 36 3HG1 VAL 36 11.164 -4.852 -3.703 289 HG21 VAL 36 1HG2 VAL 36 9.595 -2.186 -2.328 290 HG22 VAL 36 2HG2 VAL 36 8.606 -2.115 -3.787 291 HG23 VAL 36 3HG2 VAL 36 7.908 -2.697 -2.276 292 H ALA 37 H ALA 37 7.897 -6.236 -6.068 293 HA ALA 37 HA ALA 37 8.296 -8.791 -4.806 294 HB1 ALA 37 1HB ALA 37 8.454 -8.679 -7.733 295 HB2 ALA 37 2HB ALA 37 7.435 -9.666 -6.685 296 HB3 ALA 37 3HB ALA 37 6.978 -8.001 -7.045 297 H ASP 38 H ASP 38 10.108 -6.818 -7.148 298 HA ASP 38 HA ASP 38 12.569 -8.126 -6.244 299 HB2 ASP 38 1HB ASP 38 11.552 -9.063 -8.478 300 HB3 ASP 38 2HB ASP 38 12.229 -7.592 -9.170 301 H THR 39 H THR 39 14.376 -6.833 -6.256 302 HA THR 39 HA THR 39 13.916 -4.010 -6.966 303 HB THR 39 HB THR 39 15.667 -3.471 -5.270 304 HG1 THR 39 1HG THR 39 15.863 -5.360 -3.689 305 HG21 THR 39 1HG2 THR 39 13.130 -4.862 -4.460 306 HG22 THR 39 2HG2 THR 39 13.472 -3.133 -4.520 307 HG23 THR 39 3HG2 THR 39 14.203 -4.133 -3.266 308 H ASP 40 H ASP 40 15.044 -3.302 -8.643 309 HA ASP 40 HA ASP 40 17.381 -4.797 -9.545 310 HB2 ASP 40 1HB ASP 40 15.379 -3.907 -11.010 311 HB3 ASP 40 2HB ASP 40 16.312 -2.413 -11.000 312 H ASP 41 H ASP 41 18.987 -3.094 -10.742 313 HA ASP 41 HA ASP 41 20.597 -2.018 -8.806 314 HB2 ASP 41 1HB ASP 41 20.273 -1.469 -11.726 315 HB3 ASP 41 2HB ASP 41 21.322 -0.415 -10.782 316 H HIS 42 H HIS 42 18.359 -0.140 -10.857 317 HA HIS 42 HA HIS 42 18.073 1.770 -8.639 318 HB2 HIS 42 1HB HIS 42 18.002 2.798 -11.439 319 HB3 HIS 42 2HB HIS 42 18.475 3.619 -9.954 320 HD1 HIS 42 1HD HIS 42 20.924 3.761 -9.473 321 HD2 HIS 42 2HD HIS 42 20.051 0.994 -12.447 322 HE1 HIS 42 1HE HIS 42 23.150 3.032 -10.388 323 HE2 HIS 42 2HE HIS 42 22.594 1.422 -12.243 324 H ARG 43 H ARG 43 16.377 -0.430 -9.446 325 HA ARG 43 HA ARG 43 13.911 1.075 -9.801 326 HB2 ARG 43 1HB ARG 43 14.575 -1.291 -11.561 327 HB3 ARG 43 2HB ARG 43 13.081 -0.364 -11.576 328 HG2 ARG 43 1HG ARG 43 14.650 1.644 -12.102 329 HG3 ARG 43 2HG ARG 43 15.782 0.382 -12.593 330 HD2 ARG 43 1HD ARG 43 12.968 0.348 -13.603 331 HD3 ARG 43 2HD ARG 43 14.155 1.423 -14.340 332 HE ARG 43 HE ARG 43 15.120 -1.251 -14.141 333 HH11 ARG 43 2HH1 ARG 43 13.062 0.850 -16.004 334 HH12 ARG 43 1HH1 ARG 43 13.224 -0.070 -17.463 335 HH21 ARG 43 2HH2 ARG 43 15.341 -2.471 -16.056 336 HH22 ARG 43 1HH2 ARG 43 14.520 -1.959 -17.492 337 H VAL 44 H VAL 44 11.982 -0.524 -9.633 338 HA VAL 44 HA VAL 44 12.467 -2.910 -8.096 339 HB VAL 44 HB VAL 44 11.147 -2.176 -6.127 340 HG11 VAL 44 1HG1 VAL 44 13.555 -0.410 -6.477 341 HG12 VAL 44 2HG1 VAL 44 12.951 -1.160 -4.998 342 HG13 VAL 44 3HG1 VAL 44 13.681 -2.155 -6.259 343 HG21 VAL 44 1HG2 VAL 44 11.456 0.576 -6.119 344 HG22 VAL 44 2HG2 VAL 44 10.876 0.216 -7.745 345 HG23 VAL 44 3HG2 VAL 44 9.946 -0.308 -6.341 346 H LYS 45 H LYS 45 11.042 -4.298 -8.884 347 HA LYS 45 HA LYS 45 8.750 -3.527 -10.356 348 HB2 LYS 45 1HB LYS 45 10.095 -5.687 -10.562 349 HB3 LYS 45 2HB LYS 45 9.212 -6.252 -9.150 350 HG2 LYS 45 1HG LYS 45 7.177 -6.289 -10.289 351 HG3 LYS 45 2HG LYS 45 7.780 -5.254 -11.585 352 HD2 LYS 45 1HD LYS 45 9.440 -7.191 -12.030 353 HD3 LYS 45 2HD LYS 45 8.311 -8.160 -11.080 354 HE2 LYS 45 1HE LYS 45 6.511 -7.609 -12.606 355 HE3 LYS 45 2HE LYS 45 7.578 -6.543 -13.519 356 HZ1 LYS 45 1HZ LYS 45 8.837 -8.368 -14.274 357 HZ2 LYS 45 2HZ LYS 45 7.220 -8.816 -14.480 358 HZ3 LYS 45 3HZ LYS 45 8.111 -9.438 -13.184 359 H VAL 46 H VAL 46 7.097 -2.518 -9.399 360 HA VAL 46 HA VAL 46 6.249 -3.314 -6.721 361 HB VAL 46 HB VAL 46 4.650 -1.371 -6.966 362 HG11 VAL 46 1HG1 VAL 46 6.212 0.093 -6.163 363 HG12 VAL 46 2HG1 VAL 46 7.116 -1.417 -6.024 364 HG13 VAL 46 3HG1 VAL 46 7.407 -0.336 -7.387 365 HG21 VAL 46 1HG2 VAL 46 5.425 -1.537 -9.643 366 HG22 VAL 46 2HG2 VAL 46 4.425 -0.290 -8.898 367 HG23 VAL 46 3HG2 VAL 46 6.168 -0.057 -9.035 368 H HIS 47 H HIS 47 4.711 -4.777 -6.452 369 HA HIS 47 HA HIS 47 2.817 -5.265 -8.648 370 HB2 HIS 47 1HB HIS 47 3.927 -7.283 -8.191 371 HB3 HIS 47 2HB HIS 47 3.891 -7.014 -6.450 372 HD1 HIS 47 1HD HIS 47 2.237 -8.874 -9.036 373 HD2 HIS 47 2HD HIS 47 1.092 -7.179 -5.420 374 HE1 HIS 47 1HE HIS 47 0.084 -10.014 -8.411 375 HE2 HIS 47 2HE HIS 47 -0.633 -8.912 -6.263 376 H PHE 48 H PHE 48 0.853 -4.452 -8.406 377 HA PHE 48 HA PHE 48 -0.071 -3.458 -5.883 378 HB2 PHE 48 1HB PHE 48 -1.240 -3.588 -8.649 379 HB3 PHE 48 2HB PHE 48 -2.226 -3.090 -7.278 380 HD1 PHE 48 1HD PHE 48 1.234 -2.365 -8.484 381 HD2 PHE 48 2HD PHE 48 -2.495 -0.826 -7.127 382 HE1 PHE 48 1HE PHE 48 2.106 -0.074 -8.696 383 HE2 PHE 48 2HE PHE 48 -1.630 1.467 -7.338 384 HZ PHE 48 HZ PHE 48 0.673 1.846 -8.124 385 H ASP 49 H ASP 49 -0.679 -4.863 -4.364 386 HA ASP 49 HA ASP 49 -1.442 -7.463 -4.575 387 HB2 ASP 49 1HB ASP 49 -1.063 -6.202 -2.444 388 HB3 ASP 49 2HB ASP 49 -2.678 -5.520 -2.616 389 H GLY 50 H GLY 50 -3.126 -8.571 -5.347 390 HA2 GLY 50 1HA GLY 50 -5.390 -9.005 -5.801 391 HA3 GLY 50 2HA GLY 50 -5.745 -7.304 -5.545 392 H TRP 51 H TRP 51 -3.908 -6.148 -7.290 393 HA TRP 51 HA TRP 51 -5.305 -6.269 -9.722 394 HB2 TRP 51 1HB TRP 51 -2.567 -5.160 -9.078 395 HB3 TRP 51 2HB TRP 51 -3.387 -4.921 -10.618 396 HD1 TRP 51 HD TRP 51 -5.090 -4.665 -7.165 397 HE1 TRP 51 1HE TRP 51 -5.996 -2.272 -6.892 398 HE3 TRP 51 3HE TRP 51 -3.189 -2.587 -11.431 399 HZ2 TRP 51 2HZ TRP 51 -5.915 0.174 -8.299 400 HZ3 TRP 51 3HZ TRP 51 -3.649 -0.215 -11.894 401 HH2 TRP 51 HH TRP 51 -4.985 1.135 -10.359 402 H ASN 52 H ASN 52 -4.725 -7.094 -11.754 403 HA ASN 52 HA ASN 52 -3.642 -9.675 -11.768 404 HB2 ASN 52 1HB ASN 52 -4.280 -7.698 -13.943 405 HB3 ASN 52 2HB ASN 52 -3.539 -9.250 -14.322 406 HD21 ASN 52 1HD2 ASN 52 -5.130 -10.340 -15.271 407 HD22 ASN 52 2HD2 ASN 52 -6.682 -10.645 -14.575 408 H ASN 53 H ASN 53 -1.638 -10.462 -12.030 409 HA ASN 53 HA ASN 53 0.644 -9.109 -11.497 410 HB2 ASN 53 1HB ASN 53 0.306 -11.471 -13.354 411 HB3 ASN 53 2HB ASN 53 1.865 -10.905 -12.763 412 HD21 ASN 53 1HD2 ASN 53 -0.909 -12.753 -12.102 413 HD22 ASN 53 2HD2 ASN 53 -0.493 -13.235 -10.495 414 H CYS 54 H CYS 54 -0.894 -9.423 -14.652 415 HA CYS 54 HA CYS 54 1.042 -8.466 -16.338 416 HB2 CYS 54 1HB CYS 54 -1.218 -9.238 -17.033 417 HB3 CYS 54 2HB CYS 54 -1.887 -7.719 -16.448 418 HG CYS 54 HG CYS 54 -1.507 -8.012 -19.366 419 H TYR 55 H TYR 55 -1.169 -6.569 -14.319 420 HA TYR 55 HA TYR 55 -0.539 -4.022 -15.183 421 HB2 TYR 55 1HB TYR 55 -1.318 -5.068 -12.468 422 HB3 TYR 55 2HB TYR 55 -1.065 -3.351 -12.760 423 HD1 TYR 55 1HD TYR 55 -2.462 -2.254 -14.613 424 HD2 TYR 55 2HD TYR 55 -3.382 -6.056 -12.940 425 HE1 TYR 55 1HE TYR 55 -4.771 -2.049 -15.434 426 HE2 TYR 55 2HE TYR 55 -5.694 -5.862 -13.757 427 HH TYR 55 HH TYR 55 -6.674 -3.325 -15.918 428 H ASP 56 H ASP 56 1.120 -6.003 -12.757 429 HA ASP 56 HA ASP 56 2.916 -4.365 -11.629 430 HB2 ASP 56 1HB ASP 56 3.834 -6.953 -12.878 431 HB3 ASP 56 2HB ASP 56 4.419 -6.195 -11.400 432 H TYR 57 H TYR 57 4.756 -3.259 -12.128 433 HA TYR 57 HA TYR 57 5.967 -3.518 -14.749 434 HB2 TYR 57 1HB TYR 57 5.770 -0.981 -15.076 435 HB3 TYR 57 2HB TYR 57 4.336 -1.950 -15.398 436 HD1 TYR 57 2HD TYR 57 5.919 -0.208 -12.487 437 HD2 TYR 57 1HD TYR 57 2.344 -1.111 -14.610 438 HE1 TYR 57 2HE TYR 57 4.638 1.174 -10.906 439 HE2 TYR 57 1HE TYR 57 1.053 0.269 -13.036 440 HH TYR 57 HH TYR 57 1.927 2.456 -11.363 441 H TRP 58 H TRP 58 8.016 -2.497 -14.909 442 HA TRP 58 HA TRP 58 9.408 -2.363 -12.402 443 HB2 TRP 58 1HB TRP 58 10.170 -2.259 -15.284 444 HB3 TRP 58 2HB TRP 58 11.306 -1.611 -14.105 445 HD1 TRP 58 HD TRP 58 10.274 -4.795 -15.685 446 HE1 TRP 58 1HE TRP 58 11.408 -6.788 -14.516 447 HE3 TRP 58 3HE TRP 58 12.040 -2.400 -11.528 448 HZ2 TRP 58 2HZ TRP 58 12.860 -7.279 -12.145 449 HZ3 TRP 58 3HZ TRP 58 13.291 -3.703 -9.858 450 HH2 TRP 58 HH TRP 58 13.691 -6.093 -10.161 451 H ILE 59 H ILE 59 9.128 -0.611 -11.169 452 HA ILE 59 HA ILE 59 9.192 2.034 -12.461 453 HB ILE 59 HB ILE 59 7.159 1.399 -11.087 454 HG12 ILE 59 1HG1 ILE 59 8.641 3.809 -10.032 455 HG13 ILE 59 2HG1 ILE 59 7.942 3.752 -11.646 456 HG21 ILE 59 1HG2 ILE 59 8.132 0.234 -9.266 457 HG22 ILE 59 2HG2 ILE 59 9.198 1.585 -8.884 458 HG23 ILE 59 3HG2 ILE 59 7.462 1.727 -8.608 459 HD11 ILE 59 1HD1 ILE 59 6.672 4.693 -9.464 460 HD12 ILE 59 2HD1 ILE 59 5.856 4.042 -10.886 461 HD13 ILE 59 3HD1 ILE 59 6.113 3.020 -9.473 462 H ASP 60 H ASP 60 10.619 3.583 -11.789 463 HA ASP 60 HA ASP 60 13.062 2.764 -10.674 464 HB2 ASP 60 1HB ASP 60 11.889 5.522 -11.059 465 HB3 ASP 60 2HB ASP 60 13.546 5.230 -10.538 466 H ALA 61 H ALA 61 13.755 2.576 -8.642 467 HA ALA 61 HA ALA 61 11.992 2.763 -6.453 468 HB1 ALA 61 1HB ALA 61 14.925 2.839 -5.984 469 HB2 ALA 61 2HB ALA 61 13.677 1.869 -5.201 470 HB3 ALA 61 3HB ALA 61 14.249 1.435 -6.812 471 H ASP 62 H ASP 62 14.038 5.082 -7.974 472 HA ASP 62 HA ASP 62 13.807 6.916 -5.696 473 HB2 ASP 62 1HB ASP 62 15.528 8.236 -6.740 474 HB3 ASP 62 2HB ASP 62 16.050 6.554 -6.748 475 H SER 63 H SER 63 11.711 6.124 -7.782 476 HA SER 63 HA SER 63 11.209 8.493 -9.303 477 HB2 SER 63 1HB SER 63 10.428 6.091 -9.814 478 HB3 SER 63 2HB SER 63 9.141 6.401 -8.649 479 HG SER 63 HG SER 63 8.377 6.964 -10.656 480 HA PRO 64 HA PRO 64 9.205 10.939 -6.238 481 HB2 PRO 64 1HB PRO 64 7.773 12.565 -7.874 482 HB3 PRO 64 2HB PRO 64 9.522 12.711 -7.667 483 HG2 PRO 64 1HG PRO 64 7.978 11.386 -9.863 484 HG3 PRO 64 2HG PRO 64 9.409 12.428 -9.972 485 HD2 PRO 64 1HD PRO 64 9.556 9.729 -10.139 486 HD3 PRO 64 2HD PRO 64 10.853 10.714 -9.433 487 H ASP 65 H ASP 65 7.441 9.105 -8.602 488 HA ASP 65 HA ASP 65 4.833 9.633 -7.554 489 HB2 ASP 65 1HB ASP 65 5.406 7.134 -9.080 490 HB3 ASP 65 2HB ASP 65 4.042 8.241 -9.209 491 H ILE 66 H ILE 66 7.311 7.216 -6.993 492 HA ILE 66 HA ILE 66 5.721 5.405 -5.509 493 HB ILE 66 HB ILE 66 8.697 5.876 -5.568 494 HG12 ILE 66 1HG1 ILE 66 7.031 3.566 -6.584 495 HG13 ILE 66 2HG1 ILE 66 7.565 4.913 -7.584 496 HG21 ILE 66 1HG2 ILE 66 7.125 4.396 -3.642 497 HG22 ILE 66 2HG2 ILE 66 8.263 3.355 -4.496 498 HG23 ILE 66 3HG2 ILE 66 8.846 4.779 -3.637 499 HD11 ILE 66 1HD1 ILE 66 9.108 2.644 -6.468 500 HD12 ILE 66 2HD1 ILE 66 9.193 3.405 -8.057 501 HD13 ILE 66 3HD1 ILE 66 9.928 4.193 -6.662 502 H HIS 67 H HIS 67 4.969 5.517 -3.500 503 HA HIS 67 HA HIS 67 6.240 7.386 -1.615 504 HB2 HIS 67 1HB HIS 67 3.268 6.950 -1.973 505 HB3 HIS 67 2HB HIS 67 4.008 7.958 -0.734 506 HD1 HIS 67 1HD HIS 67 5.652 9.922 -1.895 507 HD2 HIS 67 2HD HIS 67 2.495 8.387 -4.117 508 HE1 HIS 67 1HE HIS 67 5.209 11.621 -3.695 509 HE2 HIS 67 2HE HIS 67 3.239 10.711 -4.975 510 HA PRO 68 HA PRO 68 6.404 3.933 1.108 511 HB2 PRO 68 1HB PRO 68 6.620 5.258 3.468 512 HB3 PRO 68 2HB PRO 68 7.947 5.143 2.306 513 HG2 PRO 68 1HG PRO 68 6.021 7.389 2.767 514 HG3 PRO 68 2HG PRO 68 7.772 7.454 2.496 515 HD2 PRO 68 1HD PRO 68 5.975 7.969 0.538 516 HD3 PRO 68 2HD PRO 68 7.554 7.226 0.213 517 H VAL 69 H VAL 69 5.257 2.912 2.872 518 HA VAL 69 HA VAL 69 2.465 3.132 2.675 519 HB VAL 69 HB VAL 69 4.235 1.738 4.670 520 HG11 VAL 69 1HG1 VAL 69 2.530 1.627 6.094 521 HG12 VAL 69 2HG1 VAL 69 1.437 2.396 4.941 522 HG13 VAL 69 3HG1 VAL 69 1.682 0.649 4.896 523 HG21 VAL 69 1HG2 VAL 69 2.800 -0.178 3.447 524 HG22 VAL 69 2HG2 VAL 69 2.842 1.032 2.165 525 HG23 VAL 69 3HG2 VAL 69 4.348 0.412 2.842 526 H GLY 70 H GLY 70 1.497 5.007 3.229 527 HA2 GLY 70 1HA GLY 70 0.424 5.927 5.296 528 HA3 GLY 70 2HA GLY 70 2.056 6.062 5.933 529 H TRP 71 H TRP 71 1.921 6.733 2.629 530 HA TRP 71 HA TRP 71 2.624 9.464 3.037 531 HB2 TRP 71 1HB TRP 71 3.638 8.485 1.166 532 HB3 TRP 71 2HB TRP 71 2.131 7.760 0.612 533 HD1 TRP 71 HD TRP 71 4.321 10.702 0.053 534 HE1 TRP 71 1HE TRP 71 3.178 12.380 -1.529 535 HE3 TRP 71 3HE TRP 71 -0.407 8.759 0.088 536 HZ2 TRP 71 2HZ TRP 71 0.612 12.821 -2.618 537 HZ3 TRP 71 3HZ TRP 71 -2.148 9.868 -1.250 538 HH2 TRP 71 HH TRP 71 -1.647 11.858 -2.574 539 H CYS 72 H CYS 72 -0.342 7.854 2.812 540 HA CYS 72 HA CYS 72 -1.906 9.831 1.525 541 HB2 CYS 72 1HB CYS 72 -3.828 8.640 2.423 542 HB3 CYS 72 2HB CYS 72 -2.642 7.490 1.819 543 HG CYS 72 HG CYS 72 -2.293 6.189 4.015 544 H SER 73 H SER 73 -0.889 9.341 4.843 545 HA SER 73 HA SER 73 -2.634 11.344 5.930 546 HB2 SER 73 1HB SER 73 -1.631 9.340 7.176 547 HB3 SER 73 2HB SER 73 -0.142 10.280 7.255 548 HG SER 73 HG SER 73 -1.025 11.123 8.963 549 H LYS 74 H LYS 74 0.840 11.167 5.207 550 HA LYS 74 HA LYS 74 1.745 13.567 6.099 551 HB2 LYS 74 1HB LYS 74 2.421 12.431 3.380 552 HB3 LYS 74 2HB LYS 74 3.417 13.513 4.344 553 HG2 LYS 74 1HG LYS 74 3.271 11.594 6.112 554 HG3 LYS 74 2HG LYS 74 2.879 10.606 4.703 555 HD2 LYS 74 1HD LYS 74 5.333 12.335 5.016 556 HD3 LYS 74 2HD LYS 74 5.282 10.579 5.186 557 HE2 LYS 74 1HE LYS 74 5.986 10.775 3.012 558 HE3 LYS 74 2HE LYS 74 4.240 10.691 2.782 559 HZ1 LYS 74 1HZ LYS 74 5.807 13.210 2.918 560 HZ2 LYS 74 2HZ LYS 74 4.154 13.072 2.588 561 HZ3 LYS 74 3HZ LYS 74 5.289 12.473 1.486 562 H THR 75 H THR 75 0.727 13.182 2.703 563 HA THR 75 HA THR 75 0.369 15.999 2.372 564 HB THR 75 HB THR 75 -0.324 15.518 0.130 565 HG1 THR 75 1HG THR 75 -0.609 12.825 1.025 566 HG21 THR 75 1HG2 THR 75 1.878 13.749 1.155 567 HG22 THR 75 2HG2 THR 75 2.003 15.275 0.280 568 HG23 THR 75 3HG2 THR 75 1.475 13.818 -0.559 569 H GLY 76 H GLY 76 -1.883 13.234 2.448 570 HA2 GLY 76 1HA GLY 76 -3.920 13.488 3.789 571 HA3 GLY 76 2HA GLY 76 -4.006 15.144 3.207 572 H HIS 77 H HIS 77 -3.233 12.339 1.229 573 HA HIS 77 HA HIS 77 -5.618 12.911 -0.379 574 HB2 HIS 77 1HB HIS 77 -2.933 11.759 -0.969 575 HB3 HIS 77 2HB HIS 77 -4.293 11.218 -1.948 576 HD1 HIS 77 1HD HIS 77 -3.290 14.684 -0.719 577 HD2 HIS 77 2HD HIS 77 -4.216 12.658 -4.226 578 HE1 HIS 77 1HE HIS 77 -3.206 16.417 -2.540 579 HE2 HIS 77 2HE HIS 77 -3.853 15.186 -4.639 580 HA PRO 78 HA PRO 78 -7.612 9.223 0.959 581 HB2 PRO 78 1HB PRO 78 -9.266 8.834 -1.158 582 HB3 PRO 78 2HB PRO 78 -9.526 10.104 0.043 583 HG2 PRO 78 1HG PRO 78 -8.293 10.293 -2.678 584 HG3 PRO 78 2HG PRO 78 -9.447 11.388 -1.894 585 HD2 PRO 78 1HD PRO 78 -6.795 11.916 -2.020 586 HD3 PRO 78 2HD PRO 78 -7.808 12.435 -0.658 587 H LEU 79 H LEU 79 -7.174 7.098 0.862 588 HA LEU 79 HA LEU 79 -5.680 6.115 -1.470 589 HB2 LEU 79 1HB LEU 79 -4.612 6.013 0.782 590 HB3 LEU 79 2HB LEU 79 -5.880 4.892 1.277 591 HG LEU 79 HG LEU 79 -5.065 3.402 -0.635 592 HD11 LEU 79 1HD1 LEU 79 -3.051 3.786 -1.654 593 HD12 LEU 79 2HD1 LEU 79 -2.458 4.812 -0.349 594 HD13 LEU 79 3HD1 LEU 79 -3.647 5.437 -1.491 595 HD21 LEU 79 1HD2 LEU 79 -3.155 3.885 1.647 596 HD22 LEU 79 2HD2 LEU 79 -3.400 2.382 0.757 597 HD23 LEU 79 3HD2 LEU 79 -4.681 3.013 1.793 598 H GLN 80 H GLN 80 -6.257 4.222 -2.509 599 HA GLN 80 HA GLN 80 -8.985 3.281 -1.942 600 HB2 GLN 80 1HB GLN 80 -7.390 3.102 -4.504 601 HB3 GLN 80 2HB GLN 80 -9.039 2.533 -4.283 602 HG2 GLN 80 1HG GLN 80 -8.212 5.398 -3.909 603 HG3 GLN 80 2HG GLN 80 -8.799 4.742 -5.436 604 HE21 GLN 80 1HE2 GLN 80 -10.620 6.006 -5.504 605 HE22 GLN 80 2HE2 GLN 80 -11.951 5.800 -4.422 606 HA PRO 81 HA PRO 81 -7.220 -0.559 -0.629 607 HB2 PRO 81 1HB PRO 81 -9.532 -1.980 -0.550 608 HB3 PRO 81 2HB PRO 81 -9.096 -0.786 0.678 609 HG2 PRO 81 1HG PRO 81 -10.928 -0.503 -1.672 610 HG3 PRO 81 2HG PRO 81 -11.147 0.069 -0.008 611 HD2 PRO 81 1HD PRO 81 -10.346 1.700 -2.016 612 HD3 PRO 81 2HD PRO 81 -9.815 1.921 -0.336 613 HA PRO 82 HA PRO 82 -6.630 -2.925 -4.299 614 HB2 PRO 82 1HB PRO 82 -5.989 -5.327 -3.209 615 HB3 PRO 82 2HB PRO 82 -4.890 -3.942 -3.197 616 HG2 PRO 82 1HG PRO 82 -6.684 -4.954 -1.025 617 HG3 PRO 82 2HG PRO 82 -5.009 -4.385 -0.917 618 HD2 PRO 82 1HD PRO 82 -7.121 -2.836 -0.231 619 HD3 PRO 82 2HD PRO 82 -5.631 -2.165 -0.924 620 H LEU 83 H LEU 83 -7.179 -5.340 -5.042 621 HA LEU 83 HA LEU 83 -9.963 -5.449 -5.371 622 HB2 LEU 83 1HB LEU 83 -7.706 -7.313 -5.942 623 HB3 LEU 83 2HB LEU 83 -9.362 -7.896 -6.092 624 HG LEU 83 HG LEU 83 -8.469 -7.214 -8.251 625 HD11 LEU 83 1HD1 LEU 83 -10.293 -5.879 -8.965 626 HD12 LEU 83 2HD1 LEU 83 -10.510 -5.193 -7.355 627 HD13 LEU 83 3HD1 LEU 83 -10.888 -6.890 -7.648 628 HD21 LEU 83 1HD2 LEU 83 -8.292 -4.415 -7.157 629 HD22 LEU 83 2HD2 LEU 83 -7.770 -5.000 -8.737 630 HD23 LEU 83 3HD2 LEU 83 -6.904 -5.496 -7.282 631 H SER 84 H SER 84 -11.388 -7.261 -4.765 632 HA SER 84 HA SER 84 -11.497 -7.594 -1.978 633 HB2 SER 84 1HB SER 84 -12.955 -8.880 -4.273 634 HB3 SER 84 2HB SER 84 -13.234 -9.410 -2.615 635 HG SER 84 HG SER 84 -13.945 -7.044 -3.872 636 HA PRO 85 HA PRO 85 -8.966 -11.082 -1.143 637 HB2 PRO 85 1HB PRO 85 -10.338 -12.248 0.889 638 HB3 PRO 85 2HB PRO 85 -9.437 -10.739 1.079 639 HG2 PRO 85 1HG PRO 85 -12.372 -11.153 0.656 640 HG3 PRO 85 2HG PRO 85 -11.547 -10.041 1.764 641 HD2 PRO 85 1HD PRO 85 -12.585 -9.235 -0.604 642 HD3 PRO 85 2HD PRO 85 -11.136 -8.493 0.106 643 H LEU 86 H LEU 86 -11.977 -11.373 -2.544 644 HA LEU 86 HA LEU 86 -12.062 -14.282 -2.509 645 HB2 LEU 86 1HB LEU 86 -14.163 -14.098 -3.594 646 HB3 LEU 86 2HB LEU 86 -14.120 -12.885 -2.317 647 HG LEU 86 HG LEU 86 -13.356 -11.328 -4.319 648 HD11 LEU 86 1HD1 LEU 86 -13.635 -12.119 -6.372 649 HD12 LEU 86 2HD1 LEU 86 -15.274 -12.653 -6.002 650 HD13 LEU 86 3HD1 LEU 86 -13.905 -13.713 -5.668 651 HD21 LEU 86 1HD2 LEU 86 -15.218 -10.502 -3.369 652 HD22 LEU 86 2HD2 LEU 86 -15.967 -12.090 -3.207 653 HD23 LEU 86 3HD2 LEU 86 -16.029 -11.239 -4.751 654 H GLU 87 H GLU 87 -11.185 -11.656 -4.633 655 HA GLU 87 HA GLU 87 -11.164 -12.998 -7.084 656 HB2 GLU 87 1HB GLU 87 -9.277 -10.819 -6.172 657 HB3 GLU 87 2HB GLU 87 -9.613 -11.271 -7.837 658 HG2 GLU 87 1HG GLU 87 -11.877 -10.444 -6.097 659 HG3 GLU 87 2HG GLU 87 -10.784 -9.210 -6.722 660 H LEU 88 H LEU 88 -8.368 -12.350 -4.961 661 HA LEU 88 HA LEU 88 -6.361 -13.645 -6.140 662 HB2 LEU 88 1HB LEU 88 -7.021 -14.153 -3.247 663 HB3 LEU 88 2HB LEU 88 -5.428 -14.173 -4.001 664 HG LEU 88 HG LEU 88 -6.078 -11.641 -4.516 665 HD11 LEU 88 1HD1 LEU 88 -7.942 -10.995 -3.499 666 HD12 LEU 88 2HD1 LEU 88 -7.101 -11.214 -1.964 667 HD13 LEU 88 3HD1 LEU 88 -8.074 -12.525 -2.631 668 HD21 LEU 88 1HD2 LEU 88 -4.183 -12.744 -3.123 669 HD22 LEU 88 2HD2 LEU 88 -5.175 -12.284 -1.739 670 HD23 LEU 88 3HD2 LEU 88 -4.587 -11.048 -2.853 671 H MET 89 H MET 89 -8.872 -15.307 -4.247 672 HA MET 89 HA MET 89 -8.128 -17.870 -4.209 673 HB2 MET 89 1HB MET 89 -10.430 -16.805 -3.674 674 HB3 MET 89 2HB MET 89 -10.846 -17.243 -5.325 675 HG2 MET 89 1HG MET 89 -11.593 -19.095 -4.263 676 HG3 MET 89 2HG MET 89 -9.928 -19.594 -4.551 677 HE1 MET 89 1HE MET 89 -12.161 -18.338 -0.958 678 HE2 MET 89 2HE MET 89 -10.856 -17.153 -1.028 679 HE3 MET 89 3HE MET 89 -11.925 -17.371 -2.415 680 H GLU 90 H GLU 90 -9.558 -16.338 -7.090 681 HA GLU 90 HA GLU 90 -8.377 -18.505 -8.702 682 HB2 GLU 90 1HB GLU 90 -10.986 -18.183 -8.524 683 HB3 GLU 90 2HB GLU 90 -10.699 -16.901 -9.691 684 HG2 GLU 90 1HG GLU 90 -10.172 -19.838 -9.995 685 HG3 GLU 90 2HG GLU 90 -11.263 -18.818 -10.932 686 H ALA 91 H ALA 91 -6.495 -17.586 -9.349 687 HA ALA 91 HA ALA 91 -6.713 -15.084 -10.892 688 HB1 ALA 91 1HB ALA 91 -4.073 -15.227 -10.038 689 HB2 ALA 91 2HB ALA 91 -5.327 -14.147 -9.427 690 HB3 ALA 91 3HB ALA 91 -5.024 -15.688 -8.625 691 H SER 92 H SER 92 -4.716 -14.827 -12.364 692 HA SER 92 HA SER 92 -4.495 -17.289 -13.906 693 HB2 SER 92 1HB SER 92 -5.026 -14.883 -14.817 694 HB3 SER 92 2HB SER 92 -3.274 -14.689 -14.764 695 HG SER 92 HG SER 92 -4.470 -15.651 -16.737 696 H GLU 93 H GLU 93 -3.118 -17.721 -11.700 697 HA GLU 93 HA GLU 93 -0.376 -16.873 -11.897 698 HB2 GLU 93 1HB GLU 93 0.006 -18.259 -9.954 699 HB3 GLU 93 2HB GLU 93 -1.471 -17.334 -9.722 700 HG2 GLU 93 1HG GLU 93 -2.768 -19.330 -10.413 701 HG3 GLU 93 2HG GLU 93 -1.259 -20.238 -10.477 702 H HIS 94 H HIS 94 1.431 -18.258 -12.243 703 HA HIS 94 HA HIS 94 0.814 -20.499 -14.047 704 HB2 HIS 94 1HB HIS 94 2.985 -20.138 -15.059 705 HB3 HIS 94 2HB HIS 94 2.105 -18.612 -15.021 706 HD1 HIS 94 1HD HIS 94 3.484 -16.708 -14.285 707 HD2 HIS 94 2HD HIS 94 4.811 -20.287 -12.645 708 HE1 HIS 94 1HE HIS 94 5.522 -16.115 -12.937 709 HE2 HIS 94 2HE HIS 94 6.357 -18.309 -12.023 710 H GLY 95 H GLY 95 2.345 -22.332 -14.017 711 HA2 GLY 95 1HA GLY 95 3.961 -23.670 -12.888 712 HA3 GLY 95 2HA GLY 95 3.690 -22.719 -11.435 713 H GLY 96 H GLY 96 3.197 -24.336 -10.024 714 HA2 GLY 96 1HA GLY 96 0.597 -25.255 -9.804 715 HA3 GLY 96 2HA GLY 96 1.475 -26.511 -10.664 716 H CYS 97 H CYS 97 0.403 -25.713 -7.723 717 HA CYS 97 HA CYS 97 2.486 -25.977 -5.933 718 HB2 CYS 97 1HB CYS 97 0.212 -25.446 -5.228 719 HB3 CYS 97 2HB CYS 97 -0.330 -27.054 -5.691 720 HG CYS 97 HG CYS 97 1.194 -26.039 -2.895 721 H SER 98 H SER 98 3.448 -27.711 -4.855 722 HA SER 98 HA SER 98 3.564 -30.159 -6.430 723 HB2 SER 98 1HB SER 98 5.272 -29.043 -4.208 724 HB3 SER 98 2HB SER 98 5.475 -30.688 -4.811 725 HG SER 98 HG SER 98 6.391 -28.406 -5.852 726 H THR 99 H THR 99 3.139 -32.203 -5.630 727 HA THR 99 HA THR 99 1.570 -32.263 -3.139 728 HB THR 99 HB THR 99 0.554 -34.363 -4.082 729 HG1 THR 99 1HG THR 99 1.649 -33.473 -6.550 730 HG21 THR 99 1HG2 THR 99 -0.316 -32.634 -6.157 731 HG22 THR 99 2HG2 THR 99 0.038 -31.641 -4.743 732 HG23 THR 99 3HG2 THR 99 -1.104 -32.978 -4.617 733 HA PRO 100 HA PRO 100 5.375 -34.695 -2.197 734 HB2 PRO 100 1HB PRO 100 5.521 -33.870 0.386 735 HB3 PRO 100 2HB PRO 100 6.210 -32.950 -0.957 736 HG2 PRO 100 1HG PRO 100 3.612 -32.552 0.475 737 HG3 PRO 100 2HG PRO 100 4.799 -31.342 -0.046 738 HD2 PRO 100 1HD PRO 100 2.528 -31.847 -1.432 739 HD3 PRO 100 2HD PRO 100 4.038 -31.351 -2.222 740 H GLY 101 H GLY 101 2.520 -34.198 -0.119 741 HA2 GLY 101 1HA GLY 101 1.051 -35.934 0.541 742 HA3 GLY 101 2HA GLY 101 2.313 -37.104 0.184 743 H SER 102 H SER 102 1.283 -37.741 2.398 744 HA SER 102 HA SER 102 2.474 -36.290 4.627 745 HB2 SER 102 1HB SER 102 0.090 -37.173 4.658 746 HB3 SER 102 2HB SER 102 0.784 -38.790 4.778 747 HG SER 102 HG SER 102 1.433 -36.700 6.576 748 H GLY 103 H GLY 103 3.769 -37.355 6.233 749 HA2 GLY 103 1HA GLY 103 5.526 -39.371 5.027 750 HA3 GLY 103 2HA GLY 103 5.919 -38.352 6.403 751 HA PRO 104 HA PRO 104 4.023 -42.638 7.558 752 HB2 PRO 104 1HB PRO 104 6.211 -44.244 7.520 753 HB3 PRO 104 2HB PRO 104 5.136 -44.054 6.130 754 HG2 PRO 104 1HG PRO 104 7.772 -42.746 6.678 755 HG3 PRO 104 2HG PRO 104 7.159 -43.436 5.164 756 HD2 PRO 104 1HD PRO 104 7.143 -40.775 5.663 757 HD3 PRO 104 2HD PRO 104 5.900 -41.568 4.676 758 H SER 105 H SER 105 4.864 -44.045 9.451 759 HA SER 105 HA SER 105 6.457 -42.379 11.286 760 HB2 SER 105 1HB SER 105 3.860 -43.821 11.822 761 HB3 SER 105 2HB SER 105 4.942 -43.316 13.119 762 HG SER 105 HG SER 105 3.759 -41.557 12.932 763 H SER 106 H SER 106 8.297 -43.429 11.631 764 HA SER 106 HA SER 106 9.032 -45.959 11.107 765 HB2 SER 106 1HB SER 106 9.856 -44.514 13.636 766 HB3 SER 106 2HB SER 106 10.764 -45.773 12.800 767 HG SER 106 HG SER 106 11.589 -44.249 11.632 768 H GLY 107 H GLY 107 7.915 -45.014 14.368 769 HA2 GLY 107 1HA GLY 107 5.993 -46.786 14.914 770 HA3 GLY 107 2HA GLY 107 7.419 -47.808 15.010 Start of MODEL 4 1 H1 GLY 1 H GLY 1 16.577 -24.402 10.637 2 HA2 GLY 1 1HA GLY 1 17.585 -23.805 8.662 3 HA3 GLY 1 2HA GLY 1 16.529 -22.400 8.646 4 H SER 2 H SER 2 18.367 -21.283 7.711 5 HA SER 2 HA SER 2 20.283 -20.424 9.779 6 HB2 SER 2 1HB SER 2 21.341 -21.825 7.999 7 HB3 SER 2 2HB SER 2 20.848 -20.618 6.811 8 HG SER 2 HG SER 2 22.087 -19.088 8.076 9 H SER 3 H SER 3 20.820 -18.245 9.846 10 HA SER 3 HA SER 3 18.793 -16.443 9.026 11 HB2 SER 3 1HB SER 3 20.522 -16.310 11.006 12 HB3 SER 3 2HB SER 3 21.520 -15.483 9.811 13 HG SER 3 HG SER 3 19.088 -14.700 10.958 14 H GLY 4 H GLY 4 22.159 -16.894 7.950 15 HA2 GLY 4 1HA GLY 4 22.749 -16.801 5.629 16 HA3 GLY 4 2HA GLY 4 21.386 -15.724 5.364 17 H SER 5 H SER 5 24.663 -15.852 5.532 18 HA SER 5 HA SER 5 24.890 -13.056 6.429 19 HB2 SER 5 1HB SER 5 26.842 -15.349 6.487 20 HB3 SER 5 2HB SER 5 27.391 -13.677 6.601 21 HG SER 5 HG SER 5 25.803 -13.522 8.383 22 H SER 6 H SER 6 25.419 -11.552 4.985 23 HA SER 6 HA SER 6 27.130 -12.035 2.760 24 HB2 SER 6 1HB SER 6 25.148 -13.079 1.815 25 HB3 SER 6 2HB SER 6 24.178 -11.658 2.203 26 HG SER 6 HG SER 6 25.837 -12.111 0.085 27 H GLY 7 H GLY 7 27.934 -10.151 1.927 28 HA2 GLY 7 1HA GLY 7 27.261 -7.733 3.380 29 HA3 GLY 7 2HA GLY 7 28.585 -7.935 2.242 30 H VAL 8 H VAL 8 25.581 -6.554 2.734 31 HA VAL 8 HA VAL 8 25.401 -5.853 -0.108 32 HB VAL 8 HB VAL 8 23.743 -7.600 0.208 33 HG11 VAL 8 1HG1 VAL 8 21.967 -7.459 1.806 34 HG12 VAL 8 2HG1 VAL 8 23.494 -7.260 2.668 35 HG13 VAL 8 3HG1 VAL 8 22.487 -5.854 2.318 36 HG21 VAL 8 1HG2 VAL 8 21.837 -6.459 -0.651 37 HG22 VAL 8 2HG2 VAL 8 22.322 -4.945 0.112 38 HG23 VAL 8 3HG2 VAL 8 23.263 -5.597 -1.229 39 H LYS 9 H LYS 9 24.178 -3.891 -0.513 40 HA LYS 9 HA LYS 9 23.730 -2.180 1.818 41 HB2 LYS 9 1HB LYS 9 25.163 -0.486 1.164 42 HB3 LYS 9 2HB LYS 9 26.089 -1.915 0.726 43 HG2 LYS 9 1HG LYS 9 26.339 -0.774 -1.203 44 HG3 LYS 9 2HG LYS 9 24.792 -1.538 -1.576 45 HD2 LYS 9 1HD LYS 9 23.620 0.407 -1.341 46 HD3 LYS 9 2HD LYS 9 24.736 1.062 -0.141 47 HE2 LYS 9 1HE LYS 9 26.412 1.315 -2.000 48 HE3 LYS 9 2HE LYS 9 25.119 0.904 -3.125 49 HZ1 LYS 9 1HZ LYS 9 24.172 2.909 -2.898 50 HZ2 LYS 9 2HZ LYS 9 25.698 3.395 -2.355 51 HZ3 LYS 9 3HZ LYS 9 24.487 3.009 -1.239 52 HA PRO 10 HA PRO 10 20.189 -0.812 -0.388 53 HB2 PRO 10 1HB PRO 10 19.955 1.737 0.517 54 HB3 PRO 10 2HB PRO 10 19.588 0.325 1.516 55 HG2 PRO 10 1HG PRO 10 22.064 2.008 1.449 56 HG3 PRO 10 2HG PRO 10 21.188 1.361 2.849 57 HD2 PRO 10 1HD PRO 10 23.442 0.214 1.884 58 HD3 PRO 10 2HD PRO 10 22.139 -0.727 2.638 59 HA PRO 11 HA PRO 11 22.268 1.112 -3.915 60 HB2 PRO 11 1HB PRO 11 20.386 0.352 -5.718 61 HB3 PRO 11 2HB PRO 11 21.659 -0.731 -5.144 62 HG2 PRO 11 1HG PRO 11 18.803 -0.535 -4.269 63 HG3 PRO 11 2HG PRO 11 19.781 -1.981 -4.582 64 HD2 PRO 11 1HD PRO 11 19.311 -1.054 -2.082 65 HD3 PRO 11 2HD PRO 11 20.819 -1.879 -2.527 66 H HIS 12 H HIS 12 18.795 1.318 -3.191 67 HA HIS 12 HA HIS 12 18.883 4.152 -3.980 68 HB2 HIS 12 1HB HIS 12 16.325 3.622 -4.524 69 HB3 HIS 12 2HB HIS 12 17.597 3.424 -5.726 70 HD1 HIS 12 1HD HIS 12 15.702 1.319 -3.193 71 HD2 HIS 12 2HD HIS 12 17.713 0.937 -6.808 72 HE1 HIS 12 1HE HIS 12 15.341 -1.062 -3.915 73 HE2 HIS 12 2HE HIS 12 16.638 -1.293 -6.062 74 H GLY 13 H GLY 13 17.229 1.667 -2.067 75 HA2 GLY 13 1HA GLY 13 17.105 2.370 0.368 76 HA3 GLY 13 2HA GLY 13 16.294 3.800 -0.253 77 H PHE 14 H PHE 14 15.858 0.508 -1.430 78 HA PHE 14 HA PHE 14 13.188 0.449 -0.210 79 HB2 PHE 14 1HB PHE 14 13.869 0.031 -3.117 80 HB3 PHE 14 2HB PHE 14 12.383 -0.589 -2.406 81 HD1 PHE 14 1HD PHE 14 14.322 2.579 -2.707 82 HD2 PHE 14 2HD PHE 14 10.498 0.728 -2.450 83 HE1 PHE 14 1HE PHE 14 13.246 4.761 -3.070 84 HE2 PHE 14 2HE PHE 14 9.415 2.907 -2.814 85 HZ PHE 14 HZ PHE 14 10.789 4.927 -3.125 86 H GLN 15 H GLN 15 12.361 -1.609 0.228 87 HA GLN 15 HA GLN 15 14.327 -3.793 0.010 88 HB2 GLN 15 1HB GLN 15 12.310 -3.242 2.190 89 HB3 GLN 15 2HB GLN 15 13.265 -4.714 2.079 90 HG2 GLN 15 1HG GLN 15 15.316 -3.285 2.186 91 HG3 GLN 15 2HG GLN 15 14.261 -1.916 2.534 92 HE21 GLN 15 1HE2 GLN 15 15.050 -1.548 4.569 93 HE22 GLN 15 2HE2 GLN 15 14.796 -2.630 5.892 94 H LYS 16 H LYS 16 13.281 -6.003 0.150 95 HA LYS 16 HA LYS 16 11.011 -6.047 -1.697 96 HB2 LYS 16 1HB LYS 16 13.211 -7.948 -1.021 97 HB3 LYS 16 2HB LYS 16 11.698 -8.606 -1.630 98 HG2 LYS 16 1HG LYS 16 11.974 -7.695 -3.708 99 HG3 LYS 16 2HG LYS 16 12.972 -6.366 -3.114 100 HD2 LYS 16 1HD LYS 16 14.458 -7.752 -4.288 101 HD3 LYS 16 2HD LYS 16 14.725 -8.146 -2.588 102 HE2 LYS 16 1HE LYS 16 12.714 -9.722 -4.114 103 HE3 LYS 16 2HE LYS 16 14.423 -10.028 -4.418 104 HZ1 LYS 16 1HZ LYS 16 13.085 -11.271 -2.528 105 HZ2 LYS 16 2HZ LYS 16 13.562 -9.919 -1.631 106 HZ3 LYS 16 3HZ LYS 16 14.728 -10.901 -2.365 107 H LYS 17 H LYS 17 9.212 -7.433 -1.345 108 HA LYS 17 HA LYS 17 7.572 -8.453 -0.135 109 HB2 LYS 17 1HB LYS 17 9.602 -8.834 2.065 110 HB3 LYS 17 2HB LYS 17 8.128 -9.755 1.795 111 HG2 LYS 17 1HG LYS 17 9.094 -10.603 -0.318 112 HG3 LYS 17 2HG LYS 17 10.595 -9.759 0.070 113 HD2 LYS 17 1HD LYS 17 9.401 -11.656 2.048 114 HD3 LYS 17 2HD LYS 17 10.320 -12.282 0.677 115 HE2 LYS 17 1HE LYS 17 12.255 -11.002 1.336 116 HE3 LYS 17 2HE LYS 17 11.343 -10.220 2.626 117 HZ1 LYS 17 1HZ LYS 17 11.643 -13.155 2.552 118 HZ2 LYS 17 2HZ LYS 17 11.290 -12.158 3.872 119 HZ3 LYS 17 3HZ LYS 17 12.852 -12.179 3.222 120 H MET 18 H MET 18 8.308 -5.574 0.114 121 HA MET 18 HA MET 18 7.108 -5.022 2.746 122 HB2 MET 18 1HB MET 18 8.222 -2.946 2.796 123 HB3 MET 18 2HB MET 18 9.421 -4.091 2.208 124 HG2 MET 18 1HG MET 18 9.156 -3.327 -0.035 125 HG3 MET 18 2HG MET 18 7.773 -2.331 0.414 126 HE1 MET 18 1HE MET 18 10.645 -0.729 -1.078 127 HE2 MET 18 2HE MET 18 8.882 -0.765 -1.032 128 HE3 MET 18 3HE MET 18 9.756 0.593 -0.320 129 H LYS 19 H LYS 19 6.034 -2.666 2.597 130 HA LYS 19 HA LYS 19 4.187 -2.752 0.301 131 HB2 LYS 19 1HB LYS 19 3.669 -2.119 3.201 132 HB3 LYS 19 2HB LYS 19 2.552 -1.644 1.929 133 HG2 LYS 19 1HG LYS 19 3.404 -4.462 2.563 134 HG3 LYS 19 2HG LYS 19 1.861 -3.720 2.994 135 HD2 LYS 19 1HD LYS 19 1.769 -3.250 0.393 136 HD3 LYS 19 2HD LYS 19 2.863 -4.635 0.344 137 HE2 LYS 19 1HE LYS 19 1.199 -5.910 1.689 138 HE3 LYS 19 2HE LYS 19 0.098 -4.541 1.545 139 HZ1 LYS 19 1HZ LYS 19 0.922 -6.485 -0.474 140 HZ2 LYS 19 2HZ LYS 19 0.636 -4.902 -0.995 141 HZ3 LYS 19 3HZ LYS 19 -0.589 -5.770 -0.216 142 H LEU 20 H LEU 20 3.662 -0.848 -0.708 143 HA LEU 20 HA LEU 20 4.472 1.698 0.365 144 HB2 LEU 20 1HB LEU 20 6.215 2.219 -0.999 145 HB3 LEU 20 2HB LEU 20 6.480 0.485 -0.832 146 HG LEU 20 HG LEU 20 4.989 0.453 -3.043 147 HD11 LEU 20 1HD1 LEU 20 4.568 2.550 -3.709 148 HD12 LEU 20 2HD1 LEU 20 6.230 2.516 -4.297 149 HD13 LEU 20 3HD1 LEU 20 5.865 3.233 -2.728 150 HD21 LEU 20 1HD2 LEU 20 7.886 0.635 -2.518 151 HD22 LEU 20 2HD2 LEU 20 7.383 0.881 -4.190 152 HD23 LEU 20 3HD2 LEU 20 6.956 -0.611 -3.351 153 H GLU 21 H GLU 21 3.370 3.385 -0.545 154 HA GLU 21 HA GLU 21 1.155 2.690 -2.257 155 HB2 GLU 21 1HB GLU 21 2.001 5.293 -0.983 156 HB3 GLU 21 2HB GLU 21 0.562 5.120 -1.978 157 HG2 GLU 21 1HG GLU 21 -0.277 3.418 -0.393 158 HG3 GLU 21 2HG GLU 21 1.125 3.727 0.629 159 H VAL 22 H VAL 22 1.340 2.617 -4.389 160 HA VAL 22 HA VAL 22 3.290 4.383 -5.708 161 HB VAL 22 HB VAL 22 2.036 1.841 -6.755 162 HG11 VAL 22 1HG1 VAL 22 2.571 2.768 -8.731 163 HG12 VAL 22 2HG1 VAL 22 3.646 3.959 -7.996 164 HG13 VAL 22 3HG1 VAL 22 4.219 2.318 -8.297 165 HG21 VAL 22 1HG2 VAL 22 4.802 2.393 -5.686 166 HG22 VAL 22 2HG2 VAL 22 3.578 1.348 -4.964 167 HG23 VAL 22 3HG2 VAL 22 4.316 0.908 -6.504 168 H VAL 23 H VAL 23 2.676 5.731 -7.342 169 HA VAL 23 HA VAL 23 -0.138 6.352 -7.522 170 HB VAL 23 HB VAL 23 2.257 7.607 -8.869 171 HG11 VAL 23 1HG1 VAL 23 0.045 7.803 -10.096 172 HG12 VAL 23 2HG1 VAL 23 -0.515 8.761 -8.724 173 HG13 VAL 23 3HG1 VAL 23 0.855 9.315 -9.687 174 HG21 VAL 23 1HG2 VAL 23 0.564 8.542 -6.553 175 HG22 VAL 23 2HG2 VAL 23 2.200 7.894 -6.439 176 HG23 VAL 23 3HG2 VAL 23 1.914 9.421 -7.272 177 H ASP 24 H ASP 24 -1.459 5.395 -8.907 178 HA ASP 24 HA ASP 24 -0.746 3.601 -10.889 179 HB2 ASP 24 1HB ASP 24 -3.074 4.196 -9.812 180 HB3 ASP 24 2HB ASP 24 -3.227 5.240 -11.223 181 H LYS 25 H LYS 25 0.323 3.880 -12.719 182 HA LYS 25 HA LYS 25 1.073 6.308 -13.820 183 HB2 LYS 25 1HB LYS 25 0.693 3.911 -15.577 184 HB3 LYS 25 2HB LYS 25 1.989 5.099 -15.587 185 HG2 LYS 25 1HG LYS 25 1.569 2.822 -13.677 186 HG3 LYS 25 2HG LYS 25 2.932 3.110 -14.761 187 HD2 LYS 25 1HD LYS 25 2.207 4.942 -12.481 188 HD3 LYS 25 2HD LYS 25 3.358 3.612 -12.331 189 HE2 LYS 25 1HE LYS 25 4.889 4.614 -13.769 190 HE3 LYS 25 2HE LYS 25 3.672 5.670 -14.484 191 HZ1 LYS 25 1HZ LYS 25 3.751 7.110 -12.717 192 HZ2 LYS 25 2HZ LYS 25 5.367 6.617 -12.792 193 HZ3 LYS 25 3HZ LYS 25 4.332 5.949 -11.633 194 H ARG 26 H ARG 26 -1.542 4.145 -14.908 195 HA ARG 26 HA ARG 26 -2.479 5.773 -16.983 196 HB2 ARG 26 1HB ARG 26 -4.409 4.116 -15.424 197 HB3 ARG 26 2HB ARG 26 -4.238 4.297 -17.165 198 HG2 ARG 26 1HG ARG 26 -2.553 2.645 -15.307 199 HG3 ARG 26 2HG ARG 26 -3.580 2.091 -16.631 200 HD2 ARG 26 1HD ARG 26 -1.274 3.942 -17.124 201 HD3 ARG 26 2HD ARG 26 -1.032 2.199 -17.003 202 HE ARG 26 HE ARG 26 -2.123 3.619 -19.213 203 HH11 ARG 26 2HH1 ARG 26 -2.328 0.619 -17.458 204 HH12 ARG 26 1HH1 ARG 26 -2.897 -0.289 -18.819 205 HH21 ARG 26 2HH2 ARG 26 -2.872 2.434 -21.012 206 HH22 ARG 26 1HH2 ARG 26 -3.206 0.744 -20.841 207 H ASN 27 H ASN 27 -3.199 5.751 -13.541 208 HA ASN 27 HA ASN 27 -4.651 8.282 -13.900 209 HB2 ASN 27 1HB ASN 27 -5.556 5.801 -12.536 210 HB3 ASN 27 2HB ASN 27 -5.939 7.330 -11.751 211 HD21 ASN 27 1HD2 ASN 27 -6.415 8.974 -13.853 212 HD22 ASN 27 2HD2 ASN 27 -7.794 8.423 -14.738 213 HA PRO 28 HA PRO 28 -1.289 9.073 -10.933 214 HB2 PRO 28 1HB PRO 28 -1.142 11.724 -11.497 215 HB3 PRO 28 2HB PRO 28 -0.342 10.488 -12.475 216 HG2 PRO 28 1HG PRO 28 -2.934 11.904 -12.961 217 HG3 PRO 28 2HG PRO 28 -1.636 11.522 -14.107 218 HD2 PRO 28 1HD PRO 28 -3.904 10.053 -13.932 219 HD3 PRO 28 2HD PRO 28 -2.337 9.342 -14.368 220 H MET 29 H MET 29 -4.533 9.937 -11.111 221 HA MET 29 HA MET 29 -4.448 11.615 -8.717 222 HB2 MET 29 1HB MET 29 -6.723 10.898 -10.572 223 HB3 MET 29 2HB MET 29 -6.885 11.924 -9.153 224 HG2 MET 29 1HG MET 29 -6.645 13.512 -10.758 225 HG3 MET 29 2HG MET 29 -4.956 13.274 -10.317 226 HE1 MET 29 1HE MET 29 -7.331 13.271 -13.613 227 HE2 MET 29 2HE MET 29 -7.109 11.554 -13.949 228 HE3 MET 29 3HE MET 29 -7.797 12.070 -12.408 229 H PHE 30 H PHE 30 -4.232 8.488 -9.157 230 HA PHE 30 HA PHE 30 -5.884 7.859 -6.811 231 HB2 PHE 30 1HB PHE 30 -5.838 6.487 -9.462 232 HB3 PHE 30 2HB PHE 30 -6.043 5.503 -8.016 233 HD1 PHE 30 1HD PHE 30 -7.965 6.002 -6.476 234 HD2 PHE 30 2HD PHE 30 -7.618 7.717 -10.356 235 HE1 PHE 30 1HE PHE 30 -10.365 6.544 -6.447 236 HE2 PHE 30 2HE PHE 30 -10.017 8.263 -10.333 237 HZ PHE 30 HZ PHE 30 -11.394 7.677 -8.376 238 H ILE 31 H ILE 31 -4.907 6.647 -5.280 239 HA ILE 31 HA ILE 31 -2.299 5.448 -5.933 240 HB ILE 31 HB ILE 31 -2.979 7.079 -3.487 241 HG12 ILE 31 1HG1 ILE 31 -0.609 7.537 -5.249 242 HG13 ILE 31 2HG1 ILE 31 -2.190 8.069 -5.811 243 HG21 ILE 31 1HG2 ILE 31 -0.692 6.569 -2.727 244 HG22 ILE 31 2HG2 ILE 31 -1.712 5.133 -2.809 245 HG23 ILE 31 3HG2 ILE 31 -0.517 5.439 -4.069 246 HD11 ILE 31 1HD1 ILE 31 -2.343 9.222 -3.500 247 HD12 ILE 31 2HD1 ILE 31 -0.590 9.027 -3.486 248 HD13 ILE 31 3HD1 ILE 31 -1.364 9.948 -4.774 249 H ARG 32 H ARG 32 -1.945 3.445 -5.150 250 HA ARG 32 HA ARG 32 -3.809 2.381 -3.142 251 HB2 ARG 32 1HB ARG 32 -2.979 0.997 -5.699 252 HB3 ARG 32 2HB ARG 32 -3.903 0.251 -4.402 253 HG2 ARG 32 1HG ARG 32 -5.662 1.983 -4.757 254 HG3 ARG 32 2HG ARG 32 -4.758 2.526 -6.173 255 HD2 ARG 32 1HD ARG 32 -4.991 0.337 -7.192 256 HD3 ARG 32 2HD ARG 32 -5.814 -0.268 -5.755 257 HE ARG 32 HE ARG 32 -7.744 0.676 -6.524 258 HH11 ARG 32 2HH1 ARG 32 -5.048 2.152 -8.158 259 HH12 ARG 32 1HH1 ARG 32 -6.040 3.067 -9.245 260 HH21 ARG 32 2HH2 ARG 32 -9.061 1.876 -7.949 261 HH22 ARG 32 1HH2 ARG 32 -8.322 2.910 -9.124 262 H VAL 33 H VAL 33 -2.947 -0.003 -2.597 263 HA VAL 33 HA VAL 33 -0.288 0.425 -1.536 264 HB VAL 33 HB VAL 33 -2.270 -1.822 -1.185 265 HG11 VAL 33 1HG1 VAL 33 0.563 -1.559 -0.260 266 HG12 VAL 33 2HG1 VAL 33 -0.616 -2.445 0.710 267 HG13 VAL 33 3HG1 VAL 33 -0.265 -2.959 -0.941 268 HG21 VAL 33 1HG2 VAL 33 -3.096 -0.529 0.419 269 HG22 VAL 33 2HG2 VAL 33 -1.539 -0.582 1.245 270 HG23 VAL 33 3HG2 VAL 33 -1.879 0.703 0.086 271 H ALA 34 H ALA 34 1.542 -0.728 -2.025 272 HA ALA 34 HA ALA 34 1.360 -2.596 -4.297 273 HB1 ALA 34 1HB ALA 34 3.764 -0.864 -3.911 274 HB2 ALA 34 2HB ALA 34 3.164 -1.640 -5.377 275 HB3 ALA 34 3HB ALA 34 2.335 -0.226 -4.725 276 H THR 35 H THR 35 3.539 -3.840 -4.499 277 HA THR 35 HA THR 35 4.716 -4.454 -1.900 278 HB THR 35 HB THR 35 3.461 -6.605 -3.618 279 HG1 THR 35 1HG THR 35 1.733 -6.086 -2.517 280 HG21 THR 35 1HG2 THR 35 4.666 -8.080 -2.459 281 HG22 THR 35 2HG2 THR 35 4.121 -7.383 -0.933 282 HG23 THR 35 3HG2 THR 35 5.550 -6.736 -1.738 283 H VAL 36 H VAL 36 6.810 -4.162 -2.312 284 HA VAL 36 HA VAL 36 8.042 -4.346 -4.818 285 HB VAL 36 HB VAL 36 9.399 -4.697 -2.143 286 HG11 VAL 36 1HG1 VAL 36 10.355 -4.003 -4.898 287 HG12 VAL 36 2HG1 VAL 36 11.260 -3.510 -3.466 288 HG13 VAL 36 3HG1 VAL 36 10.971 -5.221 -3.782 289 HG21 VAL 36 1HG2 VAL 36 8.771 -2.154 -3.640 290 HG22 VAL 36 2HG2 VAL 36 8.001 -2.690 -2.146 291 HG23 VAL 36 3HG2 VAL 36 9.715 -2.275 -2.155 292 H ALA 37 H ALA 37 8.104 -6.141 -6.007 293 HA ALA 37 HA ALA 37 8.344 -8.752 -4.753 294 HB1 ALA 37 1HB ALA 37 6.953 -7.940 -6.911 295 HB2 ALA 37 2HB ALA 37 8.412 -8.553 -7.693 296 HB3 ALA 37 3HB ALA 37 7.463 -9.608 -6.645 297 H ASP 38 H ASP 38 10.192 -6.680 -6.953 298 HA ASP 38 HA ASP 38 12.629 -8.059 -6.158 299 HB2 ASP 38 1HB ASP 38 11.606 -9.097 -8.310 300 HB3 ASP 38 2HB ASP 38 12.162 -7.621 -9.093 301 H THR 39 H THR 39 14.268 -6.677 -5.889 302 HA THR 39 HA THR 39 13.888 -3.916 -6.819 303 HB THR 39 HB THR 39 15.538 -3.282 -5.097 304 HG1 THR 39 1HG THR 39 15.362 -5.903 -4.053 305 HG21 THR 39 1HG2 THR 39 14.101 -4.144 -3.087 306 HG22 THR 39 2HG2 THR 39 13.051 -4.767 -4.360 307 HG23 THR 39 3HG2 THR 39 13.395 -3.040 -4.267 308 H ASP 40 H ASP 40 14.968 -3.399 -8.597 309 HA ASP 40 HA ASP 40 17.351 -4.873 -9.362 310 HB2 ASP 40 1HB ASP 40 15.367 -4.033 -10.889 311 HB3 ASP 40 2HB ASP 40 16.314 -2.549 -10.931 312 H ASP 41 H ASP 41 18.957 -3.195 -10.620 313 HA ASP 41 HA ASP 41 20.573 -2.070 -8.730 314 HB2 ASP 41 1HB ASP 41 20.180 -1.393 -11.636 315 HB3 ASP 41 2HB ASP 41 21.375 -0.547 -10.657 316 H HIS 42 H HIS 42 18.478 -0.112 -10.857 317 HA HIS 42 HA HIS 42 18.129 1.768 -8.617 318 HB2 HIS 42 1HB HIS 42 18.066 2.781 -11.423 319 HB3 HIS 42 2HB HIS 42 18.540 3.608 -9.942 320 HD1 HIS 42 1HD HIS 42 20.983 3.847 -9.564 321 HD2 HIS 42 2HD HIS 42 20.114 0.856 -12.313 322 HE1 HIS 42 1HE HIS 42 23.209 3.077 -10.445 323 HE2 HIS 42 2HE HIS 42 22.653 1.326 -12.169 324 H ARG 43 H ARG 43 16.418 -0.420 -9.384 325 HA ARG 43 HA ARG 43 13.959 1.086 -9.733 326 HB2 ARG 43 1HB ARG 43 14.462 -1.307 -11.495 327 HB3 ARG 43 2HB ARG 43 13.132 -0.160 -11.579 328 HG2 ARG 43 1HG ARG 43 14.686 1.590 -12.286 329 HG3 ARG 43 2HG ARG 43 16.016 0.434 -12.208 330 HD2 ARG 43 1HD ARG 43 15.220 -0.787 -14.028 331 HD3 ARG 43 2HD ARG 43 13.598 -0.112 -13.889 332 HE ARG 43 HE ARG 43 15.569 1.869 -14.499 333 HH11 ARG 43 2HH1 ARG 43 13.526 -0.601 -15.858 334 HH12 ARG 43 1HH1 ARG 43 13.479 0.122 -17.432 335 HH21 ARG 43 2HH2 ARG 43 15.514 2.830 -16.567 336 HH22 ARG 43 1HH2 ARG 43 14.610 2.072 -17.834 337 H VAL 44 H VAL 44 12.020 -0.417 -9.485 338 HA VAL 44 HA VAL 44 12.504 -2.870 -8.034 339 HB VAL 44 HB VAL 44 11.292 -2.194 -6.014 340 HG11 VAL 44 1HG1 VAL 44 13.721 -2.095 -6.005 341 HG12 VAL 44 2HG1 VAL 44 13.672 -0.444 -6.626 342 HG13 VAL 44 3HG1 VAL 44 13.047 -0.801 -5.015 343 HG21 VAL 44 1HG2 VAL 44 9.881 -0.455 -6.575 344 HG22 VAL 44 2HG2 VAL 44 11.156 0.390 -5.696 345 HG23 VAL 44 3HG2 VAL 44 11.133 0.416 -7.460 346 H LYS 45 H LYS 45 10.980 -4.264 -8.609 347 HA LYS 45 HA LYS 45 8.725 -3.478 -10.150 348 HB2 LYS 45 1HB LYS 45 10.016 -5.697 -10.228 349 HB3 LYS 45 2HB LYS 45 9.059 -6.163 -8.828 350 HG2 LYS 45 1HG LYS 45 7.090 -6.239 -10.030 351 HG3 LYS 45 2HG LYS 45 7.702 -5.172 -11.296 352 HD2 LYS 45 1HD LYS 45 9.407 -7.150 -11.664 353 HD3 LYS 45 2HD LYS 45 8.129 -8.094 -10.893 354 HE2 LYS 45 1HE LYS 45 6.532 -7.241 -12.566 355 HE3 LYS 45 2HE LYS 45 7.847 -6.370 -13.353 356 HZ1 LYS 45 1HZ LYS 45 8.535 -8.211 -14.367 357 HZ2 LYS 45 2HZ LYS 45 7.057 -8.903 -13.926 358 HZ3 LYS 45 3HZ LYS 45 8.426 -9.150 -12.964 359 H VAL 46 H VAL 46 7.047 -2.443 -9.288 360 HA VAL 46 HA VAL 46 6.189 -3.095 -6.565 361 HB VAL 46 HB VAL 46 4.705 -1.082 -6.830 362 HG11 VAL 46 1HG1 VAL 46 6.332 0.204 -5.963 363 HG12 VAL 46 2HG1 VAL 46 7.316 -1.255 -6.104 364 HG13 VAL 46 3HG1 VAL 46 7.389 -0.016 -7.358 365 HG21 VAL 46 1HG2 VAL 46 6.166 0.171 -8.937 366 HG22 VAL 46 2HG2 VAL 46 5.488 -1.345 -9.531 367 HG23 VAL 46 3HG2 VAL 46 4.432 -0.126 -8.816 368 H HIS 47 H HIS 47 4.699 -4.627 -6.379 369 HA HIS 47 HA HIS 47 2.759 -5.020 -8.542 370 HB2 HIS 47 1HB HIS 47 3.797 -7.067 -8.025 371 HB3 HIS 47 2HB HIS 47 3.726 -6.766 -6.291 372 HD1 HIS 47 1HD HIS 47 1.972 -8.458 -8.987 373 HD2 HIS 47 2HD HIS 47 0.999 -6.964 -5.234 374 HE1 HIS 47 1HE HIS 47 -0.211 -9.546 -8.376 375 HE2 HIS 47 2HE HIS 47 -0.823 -8.562 -6.139 376 H PHE 48 H PHE 48 0.633 -4.644 -8.296 377 HA PHE 48 HA PHE 48 -0.229 -3.385 -5.815 378 HB2 PHE 48 1HB PHE 48 -1.446 -3.589 -8.565 379 HB3 PHE 48 2HB PHE 48 -2.339 -2.943 -7.193 380 HD1 PHE 48 1HD PHE 48 1.135 -2.525 -8.499 381 HD2 PHE 48 2HD PHE 48 -2.485 -0.662 -7.256 382 HE1 PHE 48 1HE PHE 48 2.142 -0.315 -8.892 383 HE2 PHE 48 2HE PHE 48 -1.484 1.552 -7.649 384 HZ PHE 48 HZ PHE 48 0.831 1.727 -8.469 385 H ASP 49 H ASP 49 -0.703 -4.893 -4.311 386 HA ASP 49 HA ASP 49 -1.571 -7.442 -4.530 387 HB2 ASP 49 1HB ASP 49 -1.088 -6.263 -2.389 388 HB3 ASP 49 2HB ASP 49 -2.662 -5.481 -2.502 389 H GLY 50 H GLY 50 -3.256 -8.456 -5.395 390 HA2 GLY 50 1HA GLY 50 -5.616 -8.793 -5.626 391 HA3 GLY 50 2HA GLY 50 -5.836 -7.051 -5.540 392 H TRP 51 H TRP 51 -4.414 -5.934 -7.393 393 HA TRP 51 HA TRP 51 -5.714 -6.414 -9.787 394 HB2 TRP 51 1HB TRP 51 -3.038 -5.105 -9.273 395 HB3 TRP 51 2HB TRP 51 -3.859 -5.071 -10.832 396 HD1 TRP 51 HD TRP 51 -4.463 -3.911 -7.185 397 HE1 TRP 51 1HE TRP 51 -5.940 -1.805 -7.256 398 HE3 TRP 51 3HE TRP 51 -5.355 -3.717 -12.215 399 HZ2 TRP 51 2HZ TRP 51 -7.304 -0.265 -9.189 400 HZ3 TRP 51 3HZ TRP 51 -6.757 -1.895 -13.094 401 HH2 TRP 51 HH TRP 51 -7.710 -0.206 -11.611 402 H ASN 52 H ASN 52 -4.614 -6.992 -11.901 403 HA ASN 52 HA ASN 52 -3.611 -9.665 -11.687 404 HB2 ASN 52 1HB ASN 52 -5.108 -8.549 -13.543 405 HB3 ASN 52 2HB ASN 52 -3.553 -8.130 -14.257 406 HD21 ASN 52 1HD2 ASN 52 -4.496 -9.519 -15.977 407 HD22 ASN 52 2HD2 ASN 52 -4.183 -11.217 -15.892 408 H ASN 53 H ASN 53 -1.570 -10.383 -11.788 409 HA ASN 53 HA ASN 53 0.624 -8.835 -11.272 410 HB2 ASN 53 1HB ASN 53 1.930 -10.726 -11.628 411 HB3 ASN 53 2HB ASN 53 0.341 -11.429 -11.338 412 HD21 ASN 53 1HD2 ASN 53 -0.889 -12.138 -13.154 413 HD22 ASN 53 2HD2 ASN 53 -0.093 -12.618 -14.611 414 H CYS 54 H CYS 54 -0.856 -9.489 -14.366 415 HA CYS 54 HA CYS 54 1.166 -8.791 -16.118 416 HB2 CYS 54 1HB CYS 54 -1.816 -8.614 -16.224 417 HB3 CYS 54 2HB CYS 54 -0.879 -7.850 -17.502 418 HG CYS 54 HG CYS 54 0.490 -10.301 -18.102 419 H TYR 55 H TYR 55 -1.007 -6.712 -14.281 420 HA TYR 55 HA TYR 55 -0.386 -4.275 -15.513 421 HB2 TYR 55 1HB TYR 55 -1.517 -5.085 -12.879 422 HB3 TYR 55 2HB TYR 55 -0.956 -3.426 -13.052 423 HD1 TYR 55 1HD TYR 55 -1.834 -2.186 -15.212 424 HD2 TYR 55 2HD TYR 55 -3.701 -5.581 -13.454 425 HE1 TYR 55 1HE TYR 55 -3.951 -1.580 -16.306 426 HE2 TYR 55 2HE TYR 55 -5.823 -4.985 -14.544 427 HH TYR 55 HH TYR 55 -6.759 -2.437 -15.478 428 H ASP 56 H ASP 56 1.198 -6.039 -12.910 429 HA ASP 56 HA ASP 56 2.877 -4.343 -11.726 430 HB2 ASP 56 1HB ASP 56 3.907 -6.889 -12.987 431 HB3 ASP 56 2HB ASP 56 4.522 -6.090 -11.544 432 H TYR 57 H TYR 57 4.847 -3.314 -12.106 433 HA TYR 57 HA TYR 57 6.058 -3.384 -14.724 434 HB2 TYR 57 1HB TYR 57 5.815 -0.867 -14.992 435 HB3 TYR 57 2HB TYR 57 4.366 -1.821 -15.290 436 HD1 TYR 57 2HD TYR 57 6.066 0.136 -12.611 437 HD2 TYR 57 1HD TYR 57 2.382 -1.266 -14.212 438 HE1 TYR 57 2HE TYR 57 4.841 1.495 -10.967 439 HE2 TYR 57 1HE TYR 57 1.147 0.090 -12.574 440 HH TYR 57 HH TYR 57 2.357 2.566 -10.952 441 H TRP 58 H TRP 58 8.139 -2.566 -14.747 442 HA TRP 58 HA TRP 58 9.416 -2.365 -12.190 443 HB2 TRP 58 1HB TRP 58 10.330 -2.349 -15.038 444 HB3 TRP 58 2HB TRP 58 11.431 -1.775 -13.789 445 HD1 TRP 58 HD TRP 58 10.089 -4.918 -15.330 446 HE1 TRP 58 1HE TRP 58 11.099 -6.967 -14.144 447 HE3 TRP 58 3HE TRP 58 12.237 -2.567 -11.330 448 HZ2 TRP 58 2HZ TRP 58 12.605 -7.515 -11.821 449 HZ3 TRP 58 3HZ TRP 58 13.444 -3.926 -9.672 450 HH2 TRP 58 HH TRP 58 13.622 -6.349 -9.914 451 H ILE 59 H ILE 59 9.097 -0.554 -11.045 452 HA ILE 59 HA ILE 59 9.283 2.035 -12.424 453 HB ILE 59 HB ILE 59 7.236 1.506 -11.032 454 HG12 ILE 59 1HG1 ILE 59 8.744 3.901 -9.997 455 HG13 ILE 59 2HG1 ILE 59 8.149 3.823 -11.652 456 HG21 ILE 59 1HG2 ILE 59 9.290 1.671 -8.843 457 HG22 ILE 59 2HG2 ILE 59 7.570 1.929 -8.557 458 HG23 ILE 59 3HG2 ILE 59 8.138 0.376 -9.168 459 HD11 ILE 59 1HD1 ILE 59 6.102 3.149 -9.715 460 HD12 ILE 59 2HD1 ILE 59 6.775 4.760 -9.462 461 HD13 ILE 59 3HD1 ILE 59 6.082 4.329 -11.025 462 H ASP 60 H ASP 60 10.634 3.665 -11.653 463 HA ASP 60 HA ASP 60 13.089 2.785 -10.517 464 HB2 ASP 60 1HB ASP 60 12.047 5.569 -11.077 465 HB3 ASP 60 2HB ASP 60 13.697 5.205 -10.579 466 H ALA 61 H ALA 61 13.580 2.531 -8.449 467 HA ALA 61 HA ALA 61 11.827 3.007 -6.336 468 HB1 ALA 61 1HB ALA 61 14.721 3.004 -5.723 469 HB2 ALA 61 2HB ALA 61 13.407 2.067 -5.010 470 HB3 ALA 61 3HB ALA 61 14.080 1.596 -6.571 471 H ASP 62 H ASP 62 14.036 5.129 -7.924 472 HA ASP 62 HA ASP 62 13.891 7.098 -5.766 473 HB2 ASP 62 1HB ASP 62 15.666 8.239 -6.819 474 HB3 ASP 62 2HB ASP 62 16.056 6.533 -7.013 475 H SER 63 H SER 63 11.787 6.232 -7.918 476 HA SER 63 HA SER 63 11.274 8.592 -9.428 477 HB2 SER 63 1HB SER 63 10.486 6.304 -10.069 478 HB3 SER 63 2HB SER 63 9.333 6.374 -8.735 479 HG SER 63 HG SER 63 8.827 7.154 -11.089 480 HA PRO 64 HA PRO 64 9.272 11.078 -6.396 481 HB2 PRO 64 1HB PRO 64 7.833 12.680 -8.049 482 HB3 PRO 64 2HB PRO 64 9.583 12.830 -7.850 483 HG2 PRO 64 1HG PRO 64 8.032 11.473 -10.022 484 HG3 PRO 64 2HG PRO 64 9.462 12.514 -10.151 485 HD2 PRO 64 1HD PRO 64 9.611 9.814 -10.280 486 HD3 PRO 64 2HD PRO 64 10.910 10.810 -9.592 487 H ASP 65 H ASP 65 7.487 9.239 -8.749 488 HA ASP 65 HA ASP 65 4.892 9.767 -7.667 489 HB2 ASP 65 1HB ASP 65 5.498 7.299 -9.250 490 HB3 ASP 65 2HB ASP 65 4.074 8.334 -9.297 491 H ILE 66 H ILE 66 7.366 7.327 -7.170 492 HA ILE 66 HA ILE 66 5.833 5.468 -5.726 493 HB ILE 66 HB ILE 66 8.778 6.083 -5.724 494 HG12 ILE 66 1HG1 ILE 66 7.195 3.693 -6.694 495 HG13 ILE 66 2HG1 ILE 66 7.783 4.998 -7.718 496 HG21 ILE 66 1HG2 ILE 66 8.885 5.134 -3.700 497 HG22 ILE 66 2HG2 ILE 66 7.245 4.498 -3.808 498 HG23 ILE 66 3HG2 ILE 66 8.581 3.622 -4.554 499 HD11 ILE 66 1HD1 ILE 66 9.444 3.503 -8.056 500 HD12 ILE 66 2HD1 ILE 66 10.091 4.291 -6.617 501 HD13 ILE 66 3HD1 ILE 66 9.244 2.751 -6.474 502 H HIS 67 H HIS 67 4.854 5.681 -3.835 503 HA HIS 67 HA HIS 67 6.020 7.506 -1.838 504 HB2 HIS 67 1HB HIS 67 3.071 6.990 -2.267 505 HB3 HIS 67 2HB HIS 67 3.783 8.110 -1.109 506 HD1 HIS 67 1HD HIS 67 5.437 9.974 -2.467 507 HD2 HIS 67 2HD HIS 67 2.215 8.278 -4.469 508 HE1 HIS 67 1HE HIS 67 4.943 11.527 -4.382 509 HE2 HIS 67 2HE HIS 67 2.936 10.525 -5.529 510 HA PRO 68 HA PRO 68 6.098 4.036 0.868 511 HB2 PRO 68 1HB PRO 68 6.132 5.344 3.247 512 HB3 PRO 68 2HB PRO 68 7.531 5.274 2.169 513 HG2 PRO 68 1HG PRO 68 5.524 7.465 2.526 514 HG3 PRO 68 2HG PRO 68 7.286 7.578 2.366 515 HD2 PRO 68 1HD PRO 68 5.601 8.065 0.303 516 HD3 PRO 68 2HD PRO 68 7.217 7.366 0.072 517 H VAL 69 H VAL 69 4.889 3.012 2.618 518 HA VAL 69 HA VAL 69 2.139 3.000 2.216 519 HB VAL 69 HB VAL 69 3.830 2.006 4.494 520 HG11 VAL 69 1HG1 VAL 69 1.656 0.753 5.128 521 HG12 VAL 69 2HG1 VAL 69 1.870 2.420 5.666 522 HG13 VAL 69 3HG1 VAL 69 0.845 2.066 4.275 523 HG21 VAL 69 1HG2 VAL 69 2.255 0.034 3.154 524 HG22 VAL 69 2HG2 VAL 69 3.109 1.007 1.957 525 HG23 VAL 69 3HG2 VAL 69 4.010 0.187 3.232 526 H GLY 70 H GLY 70 4.078 5.083 4.172 527 HA2 GLY 70 1HA GLY 70 1.709 6.074 5.603 528 HA3 GLY 70 2HA GLY 70 3.380 6.409 6.033 529 H TRP 71 H TRP 71 1.808 6.688 2.870 530 HA TRP 71 HA TRP 71 2.745 9.449 2.717 531 HB2 TRP 71 1HB TRP 71 3.280 8.030 0.822 532 HB3 TRP 71 2HB TRP 71 1.581 7.610 0.617 533 HD1 TRP 71 HD TRP 71 4.080 10.406 -0.071 534 HE1 TRP 71 1HE TRP 71 3.003 12.106 -1.676 535 HE3 TRP 71 3HE TRP 71 -0.696 8.583 -0.098 536 HZ2 TRP 71 2HZ TRP 71 0.465 12.608 -2.804 537 HZ3 TRP 71 3HZ TRP 71 -2.389 9.732 -1.466 538 HH2 TRP 71 HH TRP 71 -1.819 11.702 -2.789 539 H CYS 72 H CYS 72 -0.249 7.576 2.435 540 HA CYS 72 HA CYS 72 -2.014 9.598 1.772 541 HB2 CYS 72 1HB CYS 72 -3.763 8.215 2.801 542 HB3 CYS 72 2HB CYS 72 -2.654 7.235 1.849 543 HG CYS 72 HG CYS 72 -1.174 6.664 4.362 544 H SER 73 H SER 73 -0.679 8.748 4.915 545 HA SER 73 HA SER 73 -2.332 10.611 6.351 546 HB2 SER 73 1HB SER 73 0.158 9.119 7.216 547 HB3 SER 73 2HB SER 73 -0.911 10.026 8.287 548 HG SER 73 HG SER 73 -1.225 7.632 8.021 549 H LYS 74 H LYS 74 1.131 10.463 5.533 550 HA LYS 74 HA LYS 74 1.968 12.855 6.602 551 HB2 LYS 74 1HB LYS 74 2.833 11.328 4.165 552 HB3 LYS 74 2HB LYS 74 3.591 12.862 4.571 553 HG2 LYS 74 1HG LYS 74 4.369 12.008 6.659 554 HG3 LYS 74 2HG LYS 74 3.435 10.523 6.458 555 HD2 LYS 74 1HD LYS 74 5.487 9.782 5.777 556 HD3 LYS 74 2HD LYS 74 4.855 10.357 4.233 557 HE2 LYS 74 1HE LYS 74 6.139 12.310 4.304 558 HE3 LYS 74 2HE LYS 74 6.440 12.156 6.035 559 HZ1 LYS 74 1HZ LYS 74 7.717 10.748 3.795 560 HZ2 LYS 74 2HZ LYS 74 7.626 9.981 5.300 561 HZ3 LYS 74 3HZ LYS 74 8.423 11.466 5.155 562 H THR 75 H THR 75 0.955 12.389 3.210 563 HA THR 75 HA THR 75 0.753 15.224 2.776 564 HB THR 75 HB THR 75 0.378 14.759 0.547 565 HG1 THR 75 1HG THR 75 -0.938 12.438 1.494 566 HG21 THR 75 1HG2 THR 75 2.359 13.332 1.760 567 HG22 THR 75 2HG2 THR 75 2.134 13.451 0.015 568 HG23 THR 75 3HG2 THR 75 1.492 12.064 0.895 569 H GLY 76 H GLY 76 -1.369 12.701 3.801 570 HA2 GLY 76 1HA GLY 76 -3.502 12.890 4.682 571 HA3 GLY 76 2HA GLY 76 -3.475 14.602 4.289 572 H HIS 77 H HIS 77 -2.842 12.101 1.926 573 HA HIS 77 HA HIS 77 -5.208 12.979 0.446 574 HB2 HIS 77 1HB HIS 77 -2.609 11.728 -0.291 575 HB3 HIS 77 2HB HIS 77 -4.001 11.368 -1.308 576 HD1 HIS 77 1HD HIS 77 -2.743 14.615 0.248 577 HD2 HIS 77 2HD HIS 77 -3.903 13.041 -3.417 578 HE1 HIS 77 1HE HIS 77 -2.579 16.521 -1.384 579 HE2 HIS 77 2HE HIS 77 -3.367 15.566 -3.577 580 HA PRO 78 HA PRO 78 -7.497 9.316 1.243 581 HB2 PRO 78 1HB PRO 78 -8.962 9.150 -1.037 582 HB3 PRO 78 2HB PRO 78 -9.268 10.359 0.216 583 HG2 PRO 78 1HG PRO 78 -7.775 10.641 -2.364 584 HG3 PRO 78 2HG PRO 78 -8.941 11.750 -1.619 585 HD2 PRO 78 1HD PRO 78 -6.264 12.132 -1.468 586 HD3 PRO 78 2HD PRO 78 -7.373 12.625 -0.173 587 H LEU 79 H LEU 79 -7.385 7.138 0.916 588 HA LEU 79 HA LEU 79 -5.707 6.220 -1.326 589 HB2 LEU 79 1HB LEU 79 -4.737 5.978 0.964 590 HB3 LEU 79 2HB LEU 79 -6.061 4.880 1.349 591 HG LEU 79 HG LEU 79 -5.238 3.412 -0.530 592 HD11 LEU 79 1HD1 LEU 79 -3.802 5.481 -1.360 593 HD12 LEU 79 2HD1 LEU 79 -3.300 3.816 -1.645 594 HD13 LEU 79 3HD1 LEU 79 -2.593 4.735 -0.316 595 HD21 LEU 79 1HD2 LEU 79 -3.346 2.516 0.809 596 HD22 LEU 79 2HD2 LEU 79 -4.807 2.809 1.753 597 HD23 LEU 79 3HD2 LEU 79 -3.455 3.940 1.843 598 H GLN 80 H GLN 80 -6.237 4.224 -2.317 599 HA GLN 80 HA GLN 80 -9.047 3.426 -1.930 600 HB2 GLN 80 1HB GLN 80 -7.381 3.350 -4.451 601 HB3 GLN 80 2HB GLN 80 -9.029 2.753 -4.312 602 HG2 GLN 80 1HG GLN 80 -8.064 5.589 -4.126 603 HG3 GLN 80 2HG GLN 80 -9.159 4.882 -5.314 604 HE21 GLN 80 1HE2 GLN 80 -9.219 7.038 -3.059 605 HE22 GLN 80 2HE2 GLN 80 -10.753 6.755 -2.316 606 HA PRO 81 HA PRO 81 -7.491 -0.544 -0.772 607 HB2 PRO 81 1HB PRO 81 -9.825 -1.915 -0.971 608 HB3 PRO 81 2HB PRO 81 -9.472 -0.809 0.361 609 HG2 PRO 81 1HG PRO 81 -11.099 -0.342 -2.109 610 HG3 PRO 81 2HG PRO 81 -11.445 0.131 -0.435 611 HD2 PRO 81 1HD PRO 81 -10.453 1.864 -2.265 612 HD3 PRO 81 2HD PRO 81 -10.059 1.971 -0.537 613 HA PRO 82 HA PRO 82 -6.631 -2.643 -4.554 614 HB2 PRO 82 1HB PRO 82 -5.989 -5.089 -3.565 615 HB3 PRO 82 2HB PRO 82 -4.926 -3.684 -3.418 616 HG2 PRO 82 1HG PRO 82 -6.807 -4.855 -1.405 617 HG3 PRO 82 2HG PRO 82 -5.153 -4.257 -1.176 618 HD2 PRO 82 1HD PRO 82 -7.336 -2.795 -0.520 619 HD3 PRO 82 2HD PRO 82 -5.828 -2.054 -1.093 620 H LEU 83 H LEU 83 -7.158 -4.818 -5.644 621 HA LEU 83 HA LEU 83 -9.861 -5.027 -6.111 622 HB2 LEU 83 1HB LEU 83 -7.547 -6.847 -6.550 623 HB3 LEU 83 2HB LEU 83 -9.173 -7.477 -6.810 624 HG LEU 83 HG LEU 83 -7.902 -6.590 -8.838 625 HD11 LEU 83 1HD1 LEU 83 -10.072 -5.265 -9.536 626 HD12 LEU 83 2HD1 LEU 83 -10.692 -5.955 -8.037 627 HD13 LEU 83 3HD1 LEU 83 -10.092 -7.014 -9.313 628 HD21 LEU 83 1HD2 LEU 83 -8.496 -4.034 -7.379 629 HD22 LEU 83 2HD2 LEU 83 -8.306 -4.086 -9.132 630 HD23 LEU 83 3HD2 LEU 83 -6.973 -4.575 -8.085 631 H SER 84 H SER 84 -11.298 -6.917 -5.712 632 HA SER 84 HA SER 84 -11.487 -7.392 -2.891 633 HB2 SER 84 1HB SER 84 -13.159 -8.049 -5.282 634 HB3 SER 84 2HB SER 84 -13.447 -8.925 -3.779 635 HG SER 84 HG SER 84 -13.391 -6.590 -2.907 636 HA PRO 85 HA PRO 85 -9.523 -11.299 -2.527 637 HB2 PRO 85 1HB PRO 85 -11.103 -12.542 -0.703 638 HB3 PRO 85 2HB PRO 85 -10.015 -11.214 -0.284 639 HG2 PRO 85 1HG PRO 85 -12.964 -11.156 -0.799 640 HG3 PRO 85 2HG PRO 85 -12.033 -10.337 0.469 641 HD2 PRO 85 1HD PRO 85 -12.877 -9.068 -1.769 642 HD3 PRO 85 2HD PRO 85 -11.366 -8.641 -0.942 643 H LEU 86 H LEU 86 -12.454 -10.961 -4.043 644 HA LEU 86 HA LEU 86 -12.901 -13.820 -4.442 645 HB2 LEU 86 1HB LEU 86 -14.975 -13.241 -5.418 646 HB3 LEU 86 2HB LEU 86 -14.788 -12.240 -3.980 647 HG LEU 86 HG LEU 86 -13.869 -10.501 -5.755 648 HD11 LEU 86 1HD1 LEU 86 -14.170 -11.046 -7.880 649 HD12 LEU 86 2HD1 LEU 86 -15.901 -11.225 -7.596 650 HD13 LEU 86 3HD1 LEU 86 -14.828 -12.609 -7.395 651 HD21 LEU 86 1HD2 LEU 86 -16.411 -9.892 -6.076 652 HD22 LEU 86 2HD2 LEU 86 -15.629 -9.750 -4.502 653 HD23 LEU 86 3HD2 LEU 86 -16.633 -11.155 -4.865 654 H GLU 87 H GLU 87 -11.752 -10.979 -6.114 655 HA GLU 87 HA GLU 87 -11.874 -11.902 -8.753 656 HB2 GLU 87 1HB GLU 87 -9.804 -10.070 -7.529 657 HB3 GLU 87 2HB GLU 87 -10.159 -10.227 -9.243 658 HG2 GLU 87 1HG GLU 87 -12.383 -9.502 -7.416 659 HG3 GLU 87 2HG GLU 87 -11.167 -8.280 -7.783 660 H LEU 88 H LEU 88 -9.214 -12.094 -6.396 661 HA LEU 88 HA LEU 88 -7.395 -13.454 -8.030 662 HB2 LEU 88 1HB LEU 88 -7.631 -13.802 -5.052 663 HB3 LEU 88 2HB LEU 88 -6.186 -13.960 -6.048 664 HG LEU 88 HG LEU 88 -6.715 -11.399 -6.537 665 HD11 LEU 88 1HD1 LEU 88 -7.316 -10.931 -3.823 666 HD12 LEU 88 2HD1 LEU 88 -8.526 -12.057 -4.436 667 HD13 LEU 88 3HD1 LEU 88 -8.274 -10.509 -5.242 668 HD21 LEU 88 1HD2 LEU 88 -4.932 -10.903 -5.173 669 HD22 LEU 88 2HD2 LEU 88 -4.729 -12.643 -5.377 670 HD23 LEU 88 3HD2 LEU 88 -5.456 -12.006 -3.901 671 H MET 89 H MET 89 -9.457 -14.825 -5.457 672 HA MET 89 HA MET 89 -8.929 -17.509 -6.067 673 HB2 MET 89 1HB MET 89 -10.987 -17.995 -4.762 674 HB3 MET 89 2HB MET 89 -9.887 -16.899 -3.938 675 HG2 MET 89 1HG MET 89 -11.957 -15.946 -3.568 676 HG3 MET 89 2HG MET 89 -11.336 -15.029 -4.938 677 HE1 MET 89 1HE MET 89 -14.821 -16.719 -3.893 678 HE2 MET 89 2HE MET 89 -14.579 -18.191 -4.833 679 HE3 MET 89 3HE MET 89 -13.412 -17.736 -3.592 680 H GLU 90 H GLU 90 -10.587 -19.096 -6.845 681 HA GLU 90 HA GLU 90 -11.723 -18.106 -9.348 682 HB2 GLU 90 1HB GLU 90 -11.797 -20.402 -10.059 683 HB3 GLU 90 2HB GLU 90 -10.215 -20.090 -9.359 684 HG2 GLU 90 1HG GLU 90 -12.346 -21.198 -7.609 685 HG3 GLU 90 2HG GLU 90 -11.571 -22.263 -8.781 686 H ALA 91 H ALA 91 -13.863 -18.622 -9.998 687 HA ALA 91 HA ALA 91 -15.685 -19.255 -7.769 688 HB1 ALA 91 1HB ALA 91 -16.334 -17.113 -7.997 689 HB2 ALA 91 2HB ALA 91 -15.675 -16.977 -9.628 690 HB3 ALA 91 3HB ALA 91 -17.245 -17.738 -9.372 691 H SER 92 H SER 92 -17.921 -19.889 -8.627 692 HA SER 92 HA SER 92 -19.028 -21.678 -9.557 693 HB2 SER 92 1HB SER 92 -19.179 -19.658 -11.174 694 HB3 SER 92 2HB SER 92 -18.070 -20.579 -12.189 695 HG SER 92 HG SER 92 -19.790 -22.332 -11.698 696 H GLU 93 H GLU 93 -16.453 -22.449 -8.780 697 HA GLU 93 HA GLU 93 -15.605 -24.225 -10.969 698 HB2 GLU 93 1HB GLU 93 -13.817 -22.780 -10.225 699 HB3 GLU 93 2HB GLU 93 -14.094 -23.232 -8.549 700 HG2 GLU 93 1HG GLU 93 -12.152 -24.372 -9.358 701 HG3 GLU 93 2HG GLU 93 -13.441 -25.546 -9.099 702 H HIS 94 H HIS 94 -16.287 -26.246 -10.804 703 HA HIS 94 HA HIS 94 -17.517 -27.324 -8.514 704 HB2 HIS 94 1HB HIS 94 -17.894 -28.082 -10.876 705 HB3 HIS 94 2HB HIS 94 -16.322 -28.873 -10.819 706 HD1 HIS 94 1HD HIS 94 -19.694 -29.730 -10.574 707 HD2 HIS 94 2HD HIS 94 -16.355 -30.674 -8.290 708 HE1 HIS 94 1HE HIS 94 -20.303 -31.828 -9.329 709 HE2 HIS 94 2HE HIS 94 -18.299 -32.333 -7.889 710 H GLY 95 H GLY 95 -16.737 -28.351 -6.777 711 HA2 GLY 95 1HA GLY 95 -14.641 -30.077 -6.548 712 HA3 GLY 95 2HA GLY 95 -13.888 -28.496 -6.400 713 H GLY 96 H GLY 96 -16.620 -30.371 -5.085 714 HA2 GLY 96 1HA GLY 96 -16.427 -28.869 -2.586 715 HA3 GLY 96 2HA GLY 96 -17.694 -30.007 -3.019 716 H CYS 97 H CYS 97 -15.589 -29.621 -0.741 717 HA CYS 97 HA CYS 97 -14.065 -32.032 -0.766 718 HB2 CYS 97 1HB CYS 97 -13.313 -30.091 0.507 719 HB3 CYS 97 2HB CYS 97 -14.759 -30.161 1.507 720 HG CYS 97 HG CYS 97 -13.950 -32.892 2.325 721 H SER 98 H SER 98 -14.430 -33.966 0.250 722 HA SER 98 HA SER 98 -17.176 -34.390 1.226 723 HB2 SER 98 1HB SER 98 -16.804 -36.786 0.603 724 HB3 SER 98 2HB SER 98 -16.740 -35.682 -0.771 725 HG SER 98 HG SER 98 -14.527 -35.846 -0.786 726 H THR 99 H THR 99 -17.509 -35.182 3.222 727 HA THR 99 HA THR 99 -15.128 -35.768 4.848 728 HB THR 99 HB THR 99 -16.647 -35.318 6.809 729 HG1 THR 99 1HG THR 99 -18.685 -34.907 6.429 730 HG21 THR 99 1HG2 THR 99 -15.322 -33.526 5.088 731 HG22 THR 99 2HG2 THR 99 -15.732 -33.286 6.786 732 HG23 THR 99 3HG2 THR 99 -16.847 -32.759 5.526 733 HA PRO 100 HA PRO 100 -16.371 -39.969 5.281 734 HB2 PRO 100 1HB PRO 100 -15.151 -40.549 7.636 735 HB3 PRO 100 2HB PRO 100 -14.265 -40.350 6.119 736 HG2 PRO 100 1HG PRO 100 -14.658 -38.396 8.353 737 HG3 PRO 100 2HG PRO 100 -13.189 -38.758 7.428 738 HD2 PRO 100 1HD PRO 100 -14.731 -36.590 6.923 739 HD3 PRO 100 2HD PRO 100 -13.832 -37.440 5.650 740 H GLY 101 H GLY 101 -17.146 -41.466 7.216 741 HA2 GLY 101 1HA GLY 101 -19.104 -39.964 8.833 742 HA3 GLY 101 2HA GLY 101 -19.604 -41.360 7.890 743 H SER 102 H SER 102 -20.327 -42.403 9.788 744 HA SER 102 HA SER 102 -18.149 -43.388 11.514 745 HB2 SER 102 1HB SER 102 -19.991 -43.743 13.231 746 HB3 SER 102 2HB SER 102 -19.582 -42.063 12.882 747 HG SER 102 HG SER 102 -21.910 -42.744 12.911 748 H GLY 103 H GLY 103 -18.449 -45.569 12.380 749 HA2 GLY 103 1HA GLY 103 -19.610 -47.312 10.331 750 HA3 GLY 103 2HA GLY 103 -18.441 -47.789 11.554 751 HA PRO 104 HA PRO 104 -22.522 -49.452 12.893 752 HB2 PRO 104 1HB PRO 104 -21.513 -51.809 13.784 753 HB3 PRO 104 2HB PRO 104 -21.964 -51.534 12.097 754 HG2 PRO 104 1HG PRO 104 -19.258 -51.440 13.374 755 HG3 PRO 104 2HG PRO 104 -19.740 -52.157 11.825 756 HD2 PRO 104 1HD PRO 104 -18.533 -49.739 11.999 757 HD3 PRO 104 2HD PRO 104 -19.719 -50.126 10.735 758 H SER 105 H SER 105 -22.943 -50.617 15.109 759 HA SER 105 HA SER 105 -21.423 -49.146 17.160 760 HB2 SER 105 1HB SER 105 -23.747 -48.397 16.994 761 HB3 SER 105 2HB SER 105 -24.313 -50.053 17.210 762 HG SER 105 HG SER 105 -22.609 -48.976 19.146 763 H SER 106 H SER 106 -23.523 -52.026 16.961 764 HA SER 106 HA SER 106 -21.460 -53.547 18.391 765 HB2 SER 106 1HB SER 106 -23.438 -52.647 19.860 766 HB3 SER 106 2HB SER 106 -24.344 -53.959 19.106 767 HG SER 106 HG SER 106 -22.300 -54.052 20.967 768 H GLY 107 H GLY 107 -21.827 -55.916 18.271 769 HA2 GLY 107 1HA GLY 107 -23.380 -57.558 17.047 770 HA3 GLY 107 2HA GLY 107 -22.962 -56.594 15.639 Start of MODEL 5 1 H1 GLY 1 H GLY 1 18.689 -18.818 8.036 2 HA2 GLY 1 1HA GLY 1 16.560 -18.640 8.924 3 HA3 GLY 1 2HA GLY 1 17.446 -17.954 10.279 4 H SER 2 H SER 2 16.194 -16.980 7.087 5 HA SER 2 HA SER 2 15.219 -15.054 6.365 6 HB2 SER 2 1HB SER 2 13.677 -15.921 8.337 7 HB3 SER 2 2HB SER 2 14.239 -14.446 9.123 8 HG SER 2 HG SER 2 12.874 -13.406 7.933 9 H SER 3 H SER 3 17.897 -14.786 7.032 10 HA SER 3 HA SER 3 18.591 -12.755 8.785 11 HB2 SER 3 1HB SER 3 20.216 -14.201 7.590 12 HB3 SER 3 2HB SER 3 19.866 -13.328 6.098 13 HG SER 3 HG SER 3 21.322 -12.535 8.331 14 H GLY 4 H GLY 4 18.804 -10.534 8.628 15 HA2 GLY 4 1HA GLY 4 17.068 -9.292 6.626 16 HA3 GLY 4 2HA GLY 4 17.647 -8.541 8.106 17 H SER 5 H SER 5 19.358 -7.215 8.005 18 HA SER 5 HA SER 5 20.918 -7.193 5.504 19 HB2 SER 5 1HB SER 5 19.297 -5.263 5.772 20 HB3 SER 5 2HB SER 5 20.264 -4.745 7.153 21 HG SER 5 HG SER 5 22.050 -5.019 5.404 22 H SER 6 H SER 6 22.619 -8.385 6.338 23 HA SER 6 HA SER 6 24.066 -7.179 8.602 24 HB2 SER 6 1HB SER 6 23.480 -9.435 9.135 25 HB3 SER 6 2HB SER 6 24.018 -10.015 7.558 26 HG SER 6 HG SER 6 25.532 -10.399 9.279 27 H GLY 7 H GLY 7 25.536 -5.805 7.799 28 HA2 GLY 7 1HA GLY 7 27.576 -5.244 6.848 29 HA3 GLY 7 2HA GLY 7 27.671 -6.864 6.173 30 H VAL 8 H VAL 8 25.479 -7.056 4.609 31 HA VAL 8 HA VAL 8 26.214 -5.458 2.357 32 HB VAL 8 HB VAL 8 25.444 -7.762 2.067 33 HG11 VAL 8 1HG1 VAL 8 23.846 -8.081 3.756 34 HG12 VAL 8 2HG1 VAL 8 22.896 -6.686 3.240 35 HG13 VAL 8 3HG1 VAL 8 22.929 -8.147 2.251 36 HG21 VAL 8 1HG2 VAL 8 24.218 -5.465 0.712 37 HG22 VAL 8 2HG2 VAL 8 25.086 -6.847 0.043 38 HG23 VAL 8 3HG2 VAL 8 23.382 -6.999 0.472 39 H LYS 9 H LYS 9 25.178 -3.754 1.428 40 HA LYS 9 HA LYS 9 22.871 -2.653 2.895 41 HB2 LYS 9 1HB LYS 9 23.661 -0.446 2.467 42 HB3 LYS 9 2HB LYS 9 25.026 -1.362 3.093 43 HG2 LYS 9 1HG LYS 9 25.728 -1.723 0.698 44 HG3 LYS 9 2HG LYS 9 24.504 -0.530 0.254 45 HD2 LYS 9 1HD LYS 9 26.498 0.695 0.430 46 HD3 LYS 9 2HD LYS 9 25.644 1.011 1.942 47 HE2 LYS 9 1HE LYS 9 26.996 -0.841 2.970 48 HE3 LYS 9 2HE LYS 9 27.947 -0.878 1.486 49 HZ1 LYS 9 1HZ LYS 9 29.002 1.017 2.014 50 HZ2 LYS 9 2HZ LYS 9 28.556 0.625 3.597 51 HZ3 LYS 9 3HZ LYS 9 27.636 1.733 2.709 52 HA PRO 10 HA PRO 10 20.537 -2.755 -0.825 53 HB2 PRO 10 1HB PRO 10 18.895 -0.626 -0.444 54 HB3 PRO 10 2HB PRO 10 18.724 -2.143 0.448 55 HG2 PRO 10 1HG PRO 10 20.020 0.418 1.298 56 HG3 PRO 10 2HG PRO 10 18.950 -0.654 2.220 57 HD2 PRO 10 1HD PRO 10 21.641 -0.667 2.525 58 HD3 PRO 10 2HD PRO 10 20.651 -2.127 2.720 59 HA PRO 11 HA PRO 11 22.442 -0.023 -3.719 60 HB2 PRO 11 1HB PRO 11 20.700 -0.301 -5.783 61 HB3 PRO 11 2HB PRO 11 21.856 -1.557 -5.326 62 HG2 PRO 11 1HG PRO 11 18.945 -1.331 -4.666 63 HG3 PRO 11 2HG PRO 11 19.870 -2.757 -5.170 64 HD2 PRO 11 1HD PRO 11 19.217 -2.284 -2.585 65 HD3 PRO 11 2HD PRO 11 20.715 -3.113 -3.056 66 H HIS 12 H HIS 12 18.922 0.278 -3.308 67 HA HIS 12 HA HIS 12 19.222 3.193 -3.619 68 HB2 HIS 12 1HB HIS 12 16.681 2.980 -4.266 69 HB3 HIS 12 2HB HIS 12 17.934 2.687 -5.468 70 HD1 HIS 12 1HD HIS 12 16.081 0.533 -2.923 71 HD2 HIS 12 2HD HIS 12 17.395 0.450 -6.863 72 HE1 HIS 12 1HE HIS 12 15.333 -1.688 -3.834 73 HE2 HIS 12 2HE HIS 12 16.213 -1.751 -6.193 74 H GLY 13 H GLY 13 18.053 0.573 -1.716 75 HA2 GLY 13 1HA GLY 13 17.835 1.159 0.691 76 HA3 GLY 13 2HA GLY 13 16.837 2.506 0.162 77 H PHE 14 H PHE 14 15.123 1.447 -1.604 78 HA PHE 14 HA PHE 14 13.089 0.383 -0.149 79 HB2 PHE 14 1HB PHE 14 13.759 0.004 -3.065 80 HB3 PHE 14 2HB PHE 14 12.265 -0.604 -2.358 81 HD1 PHE 14 1HD PHE 14 14.233 2.486 -2.914 82 HD2 PHE 14 2HD PHE 14 10.418 0.794 -2.081 83 HE1 PHE 14 1HE PHE 14 13.188 4.689 -3.242 84 HE2 PHE 14 2HE PHE 14 9.367 2.994 -2.408 85 HZ PHE 14 HZ PHE 14 10.752 4.945 -2.991 86 H GLN 15 H GLN 15 12.260 -1.666 0.286 87 HA GLN 15 HA GLN 15 14.199 -3.868 0.009 88 HB2 GLN 15 1HB GLN 15 12.273 -3.217 2.233 89 HB3 GLN 15 2HB GLN 15 13.009 -4.805 2.065 90 HG2 GLN 15 1HG GLN 15 14.784 -2.424 2.084 91 HG3 GLN 15 2HG GLN 15 14.059 -2.950 3.603 92 HE21 GLN 15 1HE2 GLN 15 15.857 -3.708 4.587 93 HE22 GLN 15 2HE2 GLN 15 16.783 -5.049 4.015 94 H LYS 16 H LYS 16 13.063 -6.073 0.233 95 HA LYS 16 HA LYS 16 10.807 -6.070 -1.641 96 HB2 LYS 16 1HB LYS 16 12.949 -8.044 -0.957 97 HB3 LYS 16 2HB LYS 16 11.433 -8.625 -1.633 98 HG2 LYS 16 1HG LYS 16 11.806 -7.651 -3.672 99 HG3 LYS 16 2HG LYS 16 12.857 -6.400 -3.004 100 HD2 LYS 16 1HD LYS 16 14.171 -7.964 -4.301 101 HD3 LYS 16 2HD LYS 16 14.585 -8.115 -2.591 102 HE2 LYS 16 1HE LYS 16 12.453 -9.875 -3.684 103 HE3 LYS 16 2HE LYS 16 14.125 -10.232 -4.114 104 HZ1 LYS 16 1HZ LYS 16 14.290 -9.833 -1.459 105 HZ2 LYS 16 2HZ LYS 16 14.131 -11.349 -2.193 106 HZ3 LYS 16 3HZ LYS 16 12.765 -10.554 -1.591 107 H LYS 17 H LYS 17 9.121 -7.735 -1.321 108 HA LYS 17 HA LYS 17 7.432 -8.642 -0.096 109 HB2 LYS 17 1HB LYS 17 9.397 -9.030 2.151 110 HB3 LYS 17 2HB LYS 17 7.994 -10.010 1.748 111 HG2 LYS 17 1HG LYS 17 9.145 -10.702 -0.339 112 HG3 LYS 17 2HG LYS 17 10.574 -9.825 0.210 113 HD2 LYS 17 1HD LYS 17 10.949 -12.058 0.841 114 HD3 LYS 17 2HD LYS 17 10.435 -11.246 2.321 115 HE2 LYS 17 1HE LYS 17 8.075 -12.036 1.697 116 HE3 LYS 17 2HE LYS 17 8.881 -13.122 0.566 117 HZ1 LYS 17 1HZ LYS 17 10.132 -13.301 3.081 118 HZ2 LYS 17 2HZ LYS 17 9.311 -14.505 2.222 119 HZ3 LYS 17 3HZ LYS 17 8.465 -13.502 3.289 120 H MET 18 H MET 18 8.150 -5.765 0.161 121 HA MET 18 HA MET 18 6.931 -5.237 2.791 122 HB2 MET 18 1HB MET 18 8.088 -3.194 2.917 123 HB3 MET 18 2HB MET 18 9.276 -4.336 2.303 124 HG2 MET 18 1HG MET 18 9.040 -3.496 0.083 125 HG3 MET 18 2HG MET 18 7.670 -2.493 0.555 126 HE1 MET 18 1HE MET 18 9.668 0.408 -0.085 127 HE2 MET 18 2HE MET 18 10.627 -0.868 -0.836 128 HE3 MET 18 3HE MET 18 8.866 -0.954 -0.868 129 H LYS 19 H LYS 19 5.987 -2.777 2.590 130 HA LYS 19 HA LYS 19 4.132 -2.850 0.301 131 HB2 LYS 19 1HB LYS 19 3.634 -2.105 3.179 132 HB3 LYS 19 2HB LYS 19 2.532 -1.652 1.886 133 HG2 LYS 19 1HG LYS 19 3.281 -4.444 2.722 134 HG3 LYS 19 2HG LYS 19 1.728 -3.640 2.963 135 HD2 LYS 19 1HD LYS 19 1.867 -3.381 0.332 136 HD3 LYS 19 2HD LYS 19 2.915 -4.792 0.491 137 HE2 LYS 19 1HE LYS 19 0.129 -4.589 1.627 138 HE3 LYS 19 2HE LYS 19 0.526 -5.351 0.087 139 HZ1 LYS 19 1HZ LYS 19 0.394 -7.046 1.720 140 HZ2 LYS 19 2HZ LYS 19 1.395 -6.204 2.791 141 HZ3 LYS 19 3HZ LYS 19 2.035 -6.845 1.363 142 H LEU 20 H LEU 20 3.525 -0.880 -0.632 143 HA LEU 20 HA LEU 20 4.507 1.624 0.345 144 HB2 LEU 20 1HB LEU 20 6.257 2.048 -1.033 145 HB3 LEU 20 2HB LEU 20 6.439 0.301 -0.881 146 HG LEU 20 HG LEU 20 4.906 0.363 -3.066 147 HD11 LEU 20 1HD1 LEU 20 6.234 3.039 -2.915 148 HD12 LEU 20 2HD1 LEU 20 4.590 2.632 -3.407 149 HD13 LEU 20 3HD1 LEU 20 5.946 2.263 -4.472 150 HD21 LEU 20 1HD2 LEU 20 6.809 -0.190 -4.264 151 HD22 LEU 20 2HD2 LEU 20 7.293 -0.532 -2.603 152 HD23 LEU 20 3HD2 LEU 20 7.821 0.958 -3.387 153 H GLU 21 H GLU 21 3.564 3.379 -0.682 154 HA GLU 21 HA GLU 21 1.257 2.735 -2.312 155 HB2 GLU 21 1HB GLU 21 2.237 5.261 -0.998 156 HB3 GLU 21 2HB GLU 21 0.871 5.260 -2.104 157 HG2 GLU 21 1HG GLU 21 -0.151 3.489 -0.600 158 HG3 GLU 21 2HG GLU 21 1.107 3.909 0.562 159 H VAL 22 H VAL 22 1.312 2.716 -4.450 160 HA VAL 22 HA VAL 22 3.340 4.355 -5.825 161 HB VAL 22 HB VAL 22 2.078 1.745 -6.666 162 HG11 VAL 22 1HG1 VAL 22 3.470 3.834 -8.230 163 HG12 VAL 22 2HG1 VAL 22 3.930 2.160 -8.550 164 HG13 VAL 22 3HG1 VAL 22 2.249 2.665 -8.731 165 HG21 VAL 22 1HG2 VAL 22 4.306 0.857 -6.549 166 HG22 VAL 22 2HG2 VAL 22 4.973 2.452 -6.202 167 HG23 VAL 22 3HG2 VAL 22 3.940 1.652 -5.018 168 H VAL 23 H VAL 23 2.721 5.743 -7.398 169 HA VAL 23 HA VAL 23 -0.085 6.369 -7.602 170 HB VAL 23 HB VAL 23 2.306 7.602 -8.977 171 HG11 VAL 23 1HG1 VAL 23 -0.403 8.862 -8.733 172 HG12 VAL 23 2HG1 VAL 23 0.926 9.284 -9.815 173 HG13 VAL 23 3HG1 VAL 23 -0.004 7.811 -10.091 174 HG21 VAL 23 1HG2 VAL 23 2.223 7.819 -6.498 175 HG22 VAL 23 2HG2 VAL 23 2.135 9.360 -7.352 176 HG23 VAL 23 3HG2 VAL 23 0.674 8.647 -6.667 177 H ASP 24 H ASP 24 -1.438 5.561 -9.052 178 HA ASP 24 HA ASP 24 -0.641 3.762 -11.073 179 HB2 ASP 24 1HB ASP 24 -2.937 4.040 -9.867 180 HB3 ASP 24 2HB ASP 24 -3.275 5.198 -11.151 181 H LYS 25 H LYS 25 0.338 4.231 -12.916 182 HA LYS 25 HA LYS 25 0.855 6.709 -13.964 183 HB2 LYS 25 1HB LYS 25 0.397 4.517 -15.921 184 HB3 LYS 25 2HB LYS 25 1.752 5.628 -15.776 185 HG2 LYS 25 1HG LYS 25 1.212 3.158 -14.153 186 HG3 LYS 25 2HG LYS 25 2.561 3.469 -15.248 187 HD2 LYS 25 1HD LYS 25 2.146 5.301 -12.935 188 HD3 LYS 25 2HD LYS 25 2.835 3.704 -12.636 189 HE2 LYS 25 1HE LYS 25 4.379 4.379 -14.668 190 HE3 LYS 25 2HE LYS 25 3.950 6.009 -14.154 191 HZ1 LYS 25 1HZ LYS 25 5.985 5.250 -13.098 192 HZ2 LYS 25 2HZ LYS 25 5.175 3.924 -12.429 193 HZ3 LYS 25 3HZ LYS 25 4.772 5.494 -11.944 194 H ARG 26 H ARG 26 -1.675 4.497 -15.172 195 HA ARG 26 HA ARG 26 -2.859 6.295 -16.945 196 HB2 ARG 26 1HB ARG 26 -4.913 4.827 -16.657 197 HB3 ARG 26 2HB ARG 26 -3.437 4.011 -17.155 198 HG2 ARG 26 1HG ARG 26 -3.250 3.767 -14.474 199 HG3 ARG 26 2HG ARG 26 -5.002 3.752 -14.685 200 HD2 ARG 26 1HD ARG 26 -4.107 1.492 -14.760 201 HD3 ARG 26 2HD ARG 26 -4.785 1.946 -16.323 202 HE ARG 26 HE ARG 26 -2.093 2.558 -16.434 203 HH11 ARG 26 2HH1 ARG 26 -4.052 -0.282 -15.973 204 HH12 ARG 26 1HH1 ARG 26 -2.893 -1.357 -16.682 205 HH21 ARG 26 2HH2 ARG 26 -0.558 1.154 -17.370 206 HH22 ARG 26 1HH2 ARG 26 -0.905 -0.539 -17.475 207 H ASN 27 H ASN 27 -3.280 5.869 -13.496 208 HA ASN 27 HA ASN 27 -5.036 8.230 -13.482 209 HB2 ASN 27 1HB ASN 27 -5.318 5.794 -11.707 210 HB3 ASN 27 2HB ASN 27 -6.300 7.253 -11.612 211 HD21 ASN 27 1HD2 ASN 27 -6.062 4.191 -12.892 212 HD22 ASN 27 2HD2 ASN 27 -7.289 4.310 -14.103 213 HA PRO 28 HA PRO 28 -1.422 9.211 -10.869 214 HB2 PRO 28 1HB PRO 28 -1.562 11.883 -11.327 215 HB3 PRO 28 2HB PRO 28 -0.765 10.759 -12.434 216 HG2 PRO 28 1HG PRO 28 -3.506 11.953 -12.595 217 HG3 PRO 28 2HG PRO 28 -2.305 11.729 -13.881 218 HD2 PRO 28 1HD PRO 28 -4.409 10.057 -13.545 219 HD3 PRO 28 2HD PRO 28 -2.840 9.505 -14.166 220 H MET 29 H MET 29 -4.719 10.303 -10.883 221 HA MET 29 HA MET 29 -4.478 11.621 -8.305 222 HB2 MET 29 1HB MET 29 -6.851 11.153 -10.115 223 HB3 MET 29 2HB MET 29 -6.931 12.018 -8.586 224 HG2 MET 29 1HG MET 29 -5.809 13.841 -9.395 225 HG3 MET 29 2HG MET 29 -4.972 12.911 -10.635 226 HE1 MET 29 1HE MET 29 -5.505 13.146 -13.016 227 HE2 MET 29 2HE MET 29 -6.707 14.314 -13.564 228 HE3 MET 29 3HE MET 29 -5.438 14.814 -12.445 229 H PHE 30 H PHE 30 -4.253 8.584 -8.941 230 HA PHE 30 HA PHE 30 -5.908 7.753 -6.661 231 HB2 PHE 30 1HB PHE 30 -5.778 6.513 -9.389 232 HB3 PHE 30 2HB PHE 30 -6.107 5.506 -7.982 233 HD1 PHE 30 2HD PHE 30 -7.262 8.694 -9.536 234 HD2 PHE 30 1HD PHE 30 -8.294 5.178 -7.370 235 HE1 PHE 30 2HE PHE 30 -9.637 9.329 -9.643 236 HE2 PHE 30 1HE PHE 30 -10.670 5.807 -7.474 237 HZ PHE 30 HZ PHE 30 -11.344 7.886 -8.610 238 H ILE 31 H ILE 31 -4.761 6.761 -5.142 239 HA ILE 31 HA ILE 31 -2.223 5.476 -5.914 240 HB ILE 31 HB ILE 31 -2.799 7.097 -3.434 241 HG12 ILE 31 1HG1 ILE 31 -0.542 7.535 -5.364 242 HG13 ILE 31 2HG1 ILE 31 -2.147 8.158 -5.730 243 HG21 ILE 31 1HG2 ILE 31 -0.374 6.597 -2.911 244 HG22 ILE 31 2HG2 ILE 31 -1.508 5.265 -2.693 245 HG23 ILE 31 3HG2 ILE 31 -0.475 5.318 -4.121 246 HD11 ILE 31 1HD1 ILE 31 -0.270 8.939 -3.549 247 HD12 ILE 31 2HD1 ILE 31 -1.126 9.952 -4.712 248 HD13 ILE 31 3HD1 ILE 31 -2.003 9.212 -3.373 249 H ARG 32 H ARG 32 -1.838 3.474 -5.135 250 HA ARG 32 HA ARG 32 -3.640 2.410 -3.073 251 HB2 ARG 32 1HB ARG 32 -2.909 1.061 -5.678 252 HB3 ARG 32 2HB ARG 32 -3.734 0.266 -4.343 253 HG2 ARG 32 1HG ARG 32 -5.445 2.216 -4.611 254 HG3 ARG 32 2HG ARG 32 -4.740 2.347 -6.223 255 HD2 ARG 32 1HD ARG 32 -5.360 0.129 -6.774 256 HD3 ARG 32 2HD ARG 32 -5.755 -0.250 -5.098 257 HE ARG 32 HE ARG 32 -7.338 1.870 -6.238 258 HH11 ARG 32 2HH1 ARG 32 -7.035 -1.566 -5.761 259 HH12 ARG 32 1HH1 ARG 32 -8.730 -1.873 -5.951 260 HH21 ARG 32 2HH2 ARG 32 -9.571 1.478 -6.489 261 HH22 ARG 32 1HH2 ARG 32 -10.171 -0.142 -6.365 262 H VAL 33 H VAL 33 -2.762 0.020 -2.565 263 HA VAL 33 HA VAL 33 -0.069 0.447 -1.589 264 HB VAL 33 HB VAL 33 -1.987 -1.850 -1.182 265 HG11 VAL 33 1HG1 VAL 33 0.699 -1.334 0.089 266 HG12 VAL 33 2HG1 VAL 33 -0.438 -2.591 0.579 267 HG13 VAL 33 3HG1 VAL 33 0.301 -2.644 -1.022 268 HG21 VAL 33 1HG2 VAL 33 -1.703 0.732 0.048 269 HG22 VAL 33 2HG2 VAL 33 -2.924 -0.510 0.325 270 HG23 VAL 33 3HG2 VAL 33 -1.410 -0.545 1.229 271 H ALA 34 H ALA 34 1.726 -0.802 -2.070 272 HA ALA 34 HA ALA 34 1.463 -2.679 -4.322 273 HB1 ALA 34 1HB ALA 34 3.121 -1.699 -5.557 274 HB2 ALA 34 2HB ALA 34 2.408 -0.272 -4.805 275 HB3 ALA 34 3HB ALA 34 3.891 -0.967 -4.150 276 H THR 35 H THR 35 3.253 -4.203 -4.511 277 HA THR 35 HA THR 35 4.644 -4.663 -1.955 278 HB THR 35 HB THR 35 3.311 -6.731 -3.710 279 HG1 THR 35 1HG THR 35 2.202 -5.393 -1.929 280 HG21 THR 35 1HG2 THR 35 4.880 -8.158 -3.006 281 HG22 THR 35 2HG2 THR 35 4.213 -7.963 -1.385 282 HG23 THR 35 3HG2 THR 35 5.568 -6.963 -1.908 283 H VAL 36 H VAL 36 6.727 -4.275 -2.356 284 HA VAL 36 HA VAL 36 7.983 -4.390 -4.852 285 HB VAL 36 HB VAL 36 9.345 -4.733 -2.179 286 HG11 VAL 36 1HG1 VAL 36 11.071 -5.033 -3.610 287 HG12 VAL 36 2HG1 VAL 36 10.254 -4.212 -4.941 288 HG13 VAL 36 3HG1 VAL 36 11.031 -3.271 -3.667 289 HG21 VAL 36 1HG2 VAL 36 7.949 -2.797 -2.018 290 HG22 VAL 36 2HG2 VAL 36 9.608 -2.250 -2.264 291 HG23 VAL 36 3HG2 VAL 36 8.465 -2.228 -3.606 292 H ALA 37 H ALA 37 7.991 -6.204 -6.039 293 HA ALA 37 HA ALA 37 8.314 -8.809 -4.836 294 HB1 ALA 37 1HB ALA 37 8.505 -8.522 -7.770 295 HB2 ALA 37 2HB ALA 37 7.567 -9.656 -6.796 296 HB3 ALA 37 3HB ALA 37 6.992 -8.004 -7.025 297 H ASP 38 H ASP 38 10.188 -6.756 -7.055 298 HA ASP 38 HA ASP 38 12.626 -8.077 -6.129 299 HB2 ASP 38 1HB ASP 38 11.646 -9.017 -8.388 300 HB3 ASP 38 2HB ASP 38 12.364 -7.557 -9.063 301 H THR 39 H THR 39 14.326 -6.725 -5.908 302 HA THR 39 HA THR 39 13.902 -3.927 -6.711 303 HB THR 39 HB THR 39 15.579 -3.360 -4.963 304 HG1 THR 39 1HG THR 39 16.393 -5.688 -5.040 305 HG21 THR 39 1HG2 THR 39 13.478 -3.033 -4.109 306 HG22 THR 39 2HG2 THR 39 14.050 -4.286 -3.009 307 HG23 THR 39 3HG2 THR 39 12.997 -4.710 -4.358 308 H ASP 40 H ASP 40 14.941 -3.438 -8.529 309 HA ASP 40 HA ASP 40 17.323 -4.848 -9.342 310 HB2 ASP 40 1HB ASP 40 15.357 -3.832 -10.798 311 HB3 ASP 40 2HB ASP 40 16.375 -2.395 -10.756 312 H ASP 41 H ASP 41 18.972 -3.125 -10.486 313 HA ASP 41 HA ASP 41 20.575 -2.148 -8.475 314 HB2 ASP 41 1HB ASP 41 20.345 -1.461 -11.388 315 HB3 ASP 41 2HB ASP 41 21.484 -0.595 -10.360 316 H HIS 42 H HIS 42 18.453 -0.184 -10.567 317 HA HIS 42 HA HIS 42 18.185 1.724 -8.344 318 HB2 HIS 42 1HB HIS 42 18.193 2.722 -11.163 319 HB3 HIS 42 2HB HIS 42 18.603 3.572 -9.676 320 HD1 HIS 42 1HD HIS 42 21.030 3.758 -9.131 321 HD2 HIS 42 2HD HIS 42 20.280 0.861 -12.014 322 HE1 HIS 42 1HE HIS 42 23.292 3.001 -9.927 323 HE2 HIS 42 2HE HIS 42 22.812 1.310 -11.732 324 H ARG 43 H ARG 43 16.468 -0.465 -9.315 325 HA ARG 43 HA ARG 43 14.027 1.105 -9.607 326 HB2 ARG 43 1HB ARG 43 14.595 -1.240 -11.423 327 HB3 ARG 43 2HB ARG 43 13.195 -0.178 -11.462 328 HG2 ARG 43 1HG ARG 43 14.922 1.692 -11.911 329 HG3 ARG 43 2HG ARG 43 15.997 0.361 -12.345 330 HD2 ARG 43 1HD ARG 43 13.265 0.401 -13.516 331 HD3 ARG 43 2HD ARG 43 14.450 1.552 -14.133 332 HE ARG 43 HE ARG 43 14.420 -1.297 -14.537 333 HH11 ARG 43 2HH1 ARG 43 16.383 1.578 -14.492 334 HH12 ARG 43 1HH1 ARG 43 17.599 0.922 -15.538 335 HH21 ARG 43 2HH2 ARG 43 16.014 -2.172 -15.914 336 HH22 ARG 43 1HH2 ARG 43 17.388 -1.211 -16.347 337 H VAL 44 H VAL 44 12.059 -0.361 -9.405 338 HA VAL 44 HA VAL 44 12.499 -2.835 -7.959 339 HB VAL 44 HB VAL 44 11.188 -2.157 -5.996 340 HG11 VAL 44 1HG1 VAL 44 13.684 -2.022 -6.036 341 HG12 VAL 44 2HG1 VAL 44 13.529 -0.300 -6.389 342 HG13 VAL 44 3HG1 VAL 44 12.914 -0.949 -4.868 343 HG21 VAL 44 1HG2 VAL 44 11.310 0.595 -5.933 344 HG22 VAL 44 2HG2 VAL 44 10.810 0.250 -7.589 345 HG23 VAL 44 3HG2 VAL 44 9.866 -0.371 -6.235 346 H LYS 45 H LYS 45 11.042 -4.227 -8.680 347 HA LYS 45 HA LYS 45 8.821 -3.436 -10.263 348 HB2 LYS 45 1HB LYS 45 10.152 -5.625 -10.378 349 HB3 LYS 45 2HB LYS 45 9.177 -6.154 -9.013 350 HG2 LYS 45 1HG LYS 45 7.210 -6.161 -10.265 351 HG3 LYS 45 2HG LYS 45 7.906 -5.147 -11.532 352 HD2 LYS 45 1HD LYS 45 9.560 -7.146 -11.825 353 HD3 LYS 45 2HD LYS 45 8.297 -8.063 -11.002 354 HE2 LYS 45 1HE LYS 45 6.681 -7.338 -12.697 355 HE3 LYS 45 2HE LYS 45 7.951 -6.434 -13.519 356 HZ1 LYS 45 1HZ LYS 45 7.949 -8.381 -14.693 357 HZ2 LYS 45 2HZ LYS 45 7.545 -9.337 -13.357 358 HZ3 LYS 45 3HZ LYS 45 9.121 -8.744 -13.528 359 H VAL 46 H VAL 46 7.118 -2.434 -9.406 360 HA VAL 46 HA VAL 46 6.183 -3.179 -6.737 361 HB VAL 46 HB VAL 46 4.658 -1.206 -6.996 362 HG11 VAL 46 1HG1 VAL 46 6.278 0.319 -6.346 363 HG12 VAL 46 2HG1 VAL 46 7.055 -1.230 -6.014 364 HG13 VAL 46 3HG1 VAL 46 7.479 -0.323 -7.467 365 HG21 VAL 46 1HG2 VAL 46 6.051 0.167 -9.043 366 HG22 VAL 46 2HG2 VAL 46 5.548 -1.392 -9.696 367 HG23 VAL 46 3HG2 VAL 46 4.351 -0.299 -9.000 368 H HIS 47 H HIS 47 4.692 -4.708 -6.582 369 HA HIS 47 HA HIS 47 2.832 -5.126 -8.815 370 HB2 HIS 47 1HB HIS 47 3.883 -7.165 -8.361 371 HB3 HIS 47 2HB HIS 47 3.852 -6.904 -6.620 372 HD1 HIS 47 1HD HIS 47 2.223 -8.802 -9.159 373 HD2 HIS 47 2HD HIS 47 0.999 -6.961 -5.642 374 HE1 HIS 47 1HE HIS 47 0.042 -9.897 -8.551 375 HE2 HIS 47 2HE HIS 47 -0.722 -8.707 -6.466 376 H PHE 48 H PHE 48 0.704 -4.770 -8.608 377 HA PHE 48 HA PHE 48 -0.245 -3.589 -6.133 378 HB2 PHE 48 1HB PHE 48 -1.428 -3.874 -8.891 379 HB3 PHE 48 2HB PHE 48 -2.371 -3.274 -7.531 380 HD1 PHE 48 1HD PHE 48 1.111 -2.662 -8.728 381 HD2 PHE 48 2HD PHE 48 -2.667 -1.008 -7.676 382 HE1 PHE 48 1HE PHE 48 1.997 -0.400 -9.118 383 HE2 PHE 48 2HE PHE 48 -1.788 1.256 -8.065 384 HZ PHE 48 HZ PHE 48 0.546 1.563 -8.788 385 H ASP 49 H ASP 49 -0.711 -5.059 -4.604 386 HA ASP 49 HA ASP 49 -1.452 -7.669 -4.827 387 HB2 ASP 49 1HB ASP 49 -0.970 -6.576 -2.682 388 HB3 ASP 49 2HB ASP 49 -2.495 -5.701 -2.780 389 H GLY 50 H GLY 50 -2.938 -8.455 -6.188 390 HA2 GLY 50 1HA GLY 50 -5.354 -8.977 -6.239 391 HA3 GLY 50 2HA GLY 50 -5.635 -7.249 -6.096 392 H TRP 51 H TRP 51 -3.817 -6.257 -7.927 393 HA TRP 51 HA TRP 51 -5.227 -6.685 -10.362 394 HB2 TRP 51 1HB TRP 51 -2.675 -5.165 -9.789 395 HB3 TRP 51 2HB TRP 51 -3.532 -5.129 -11.327 396 HD1 TRP 51 HD TRP 51 -5.350 -4.967 -7.945 397 HE1 TRP 51 1HE TRP 51 -6.524 -2.683 -7.763 398 HE3 TRP 51 3HE TRP 51 -3.490 -2.760 -12.164 399 HZ2 TRP 51 2HZ TRP 51 -6.645 -0.266 -9.216 400 HZ3 TRP 51 3HZ TRP 51 -4.185 -0.460 -12.697 401 HH2 TRP 51 HH TRP 51 -5.730 0.759 -11.252 402 H ASN 52 H ASN 52 -4.685 -7.829 -12.157 403 HA ASN 52 HA ASN 52 -3.216 -10.134 -12.011 404 HB2 ASN 52 1HB ASN 52 -4.802 -9.167 -13.885 405 HB3 ASN 52 2HB ASN 52 -3.280 -8.678 -14.623 406 HD21 ASN 52 1HD2 ASN 52 -1.811 -10.264 -15.285 407 HD22 ASN 52 2HD2 ASN 52 -2.300 -11.901 -15.538 408 H ASN 53 H ASN 53 -1.133 -10.754 -12.335 409 HA ASN 53 HA ASN 53 0.998 -9.273 -11.672 410 HB2 ASN 53 1HB ASN 53 1.152 -11.270 -13.934 411 HB3 ASN 53 2HB ASN 53 2.420 -10.851 -12.787 412 HD21 ASN 53 1HD2 ASN 53 0.282 -13.160 -13.561 413 HD22 ASN 53 2HD2 ASN 53 0.043 -13.891 -12.013 414 H CYS 54 H CYS 54 -0.058 -9.688 -15.052 415 HA CYS 54 HA CYS 54 1.693 -8.244 -16.462 416 HB2 CYS 54 1HB CYS 54 -1.318 -8.145 -16.645 417 HB3 CYS 54 2HB CYS 54 -0.270 -7.381 -17.834 418 HG CYS 54 HG CYS 54 -1.413 -10.007 -18.536 419 H TYR 55 H TYR 55 -1.095 -6.695 -14.860 420 HA TYR 55 HA TYR 55 -0.714 -4.091 -15.341 421 HB2 TYR 55 1HB TYR 55 -1.498 -5.500 -12.818 422 HB3 TYR 55 2HB TYR 55 -1.309 -3.750 -12.803 423 HD1 TYR 55 1HD TYR 55 -2.602 -2.460 -14.680 424 HD2 TYR 55 2HD TYR 55 -3.547 -6.408 -13.409 425 HE1 TYR 55 1HE TYR 55 -4.874 -2.201 -15.586 426 HE2 TYR 55 2HE TYR 55 -5.821 -6.161 -14.312 427 HH TYR 55 HH TYR 55 -6.752 -3.367 -16.209 428 H ASP 56 H ASP 56 1.077 -5.891 -12.851 429 HA ASP 56 HA ASP 56 2.609 -3.958 -11.724 430 HB2 ASP 56 1HB ASP 56 3.898 -6.527 -12.609 431 HB3 ASP 56 2HB ASP 56 4.161 -5.617 -11.124 432 H TYR 57 H TYR 57 4.797 -3.206 -12.097 433 HA TYR 57 HA TYR 57 5.949 -3.447 -14.719 434 HB2 TYR 57 1HB TYR 57 5.880 -0.896 -15.044 435 HB3 TYR 57 2HB TYR 57 4.416 -1.805 -15.402 436 HD1 TYR 57 2HD TYR 57 6.002 -0.124 -12.458 437 HD2 TYR 57 1HD TYR 57 2.439 -0.898 -14.651 438 HE1 TYR 57 2HE TYR 57 4.742 1.306 -10.903 439 HE2 TYR 57 1HE TYR 57 1.169 0.530 -13.103 440 HH TYR 57 HH TYR 57 2.721 2.543 -10.768 441 H TRP 58 H TRP 58 7.997 -2.285 -14.902 442 HA TRP 58 HA TRP 58 9.399 -2.296 -12.374 443 HB2 TRP 58 1HB TRP 58 10.175 -2.215 -15.251 444 HB3 TRP 58 2HB TRP 58 11.325 -1.590 -14.071 445 HD1 TRP 58 HD TRP 58 10.208 -4.757 -15.635 446 HE1 TRP 58 1HE TRP 58 11.293 -6.771 -14.457 447 HE3 TRP 58 3HE TRP 58 12.046 -2.383 -11.497 448 HZ2 TRP 58 2HZ TRP 58 12.737 -7.286 -12.086 449 HZ3 TRP 58 3HZ TRP 58 13.267 -3.709 -9.822 450 HH2 TRP 58 HH TRP 58 13.603 -6.110 -10.112 451 H ILE 59 H ILE 59 9.146 -0.539 -11.137 452 HA ILE 59 HA ILE 59 9.312 2.107 -12.417 453 HB ILE 59 HB ILE 59 7.248 1.516 -11.056 454 HG12 ILE 59 1HG1 ILE 59 8.813 3.910 -10.078 455 HG13 ILE 59 2HG1 ILE 59 8.012 3.838 -11.644 456 HG21 ILE 59 1HG2 ILE 59 9.273 1.700 -8.837 457 HG22 ILE 59 2HG2 ILE 59 7.535 1.855 -8.583 458 HG23 ILE 59 3HG2 ILE 59 8.203 0.351 -9.218 459 HD11 ILE 59 1HD1 ILE 59 6.917 4.787 -9.331 460 HD12 ILE 59 2HD1 ILE 59 6.017 4.273 -10.759 461 HD13 ILE 59 3HD1 ILE 59 6.263 3.152 -9.420 462 H ASP 60 H ASP 60 10.759 3.624 -11.697 463 HA ASP 60 HA ASP 60 13.138 2.671 -10.472 464 HB2 ASP 60 1HB ASP 60 12.199 5.455 -11.176 465 HB3 ASP 60 2HB ASP 60 13.793 5.113 -10.510 466 H ALA 61 H ALA 61 13.648 2.519 -8.393 467 HA ALA 61 HA ALA 61 11.854 3.024 -6.318 468 HB1 ALA 61 1HB ALA 61 14.564 3.115 -5.364 469 HB2 ALA 61 2HB ALA 61 13.342 1.860 -5.152 470 HB3 ALA 61 3HB ALA 61 14.379 1.849 -6.578 471 H ASP 62 H ASP 62 14.184 5.096 -7.852 472 HA ASP 62 HA ASP 62 14.016 7.109 -5.762 473 HB2 ASP 62 1HB ASP 62 15.592 6.819 -8.297 474 HB3 ASP 62 2HB ASP 62 15.438 8.401 -7.538 475 H SER 63 H SER 63 11.996 6.172 -8.113 476 HA SER 63 HA SER 63 11.332 8.516 -9.507 477 HB2 SER 63 1HB SER 63 10.552 6.242 -10.137 478 HB3 SER 63 2HB SER 63 9.484 6.245 -8.735 479 HG SER 63 HG SER 63 8.224 7.728 -9.670 480 HA PRO 64 HA PRO 64 9.405 11.002 -6.424 481 HB2 PRO 64 1HB PRO 64 7.941 12.609 -8.050 482 HB3 PRO 64 2HB PRO 64 9.695 12.755 -7.879 483 HG2 PRO 64 1HG PRO 64 8.107 11.405 -10.028 484 HG3 PRO 64 2HG PRO 64 9.536 12.445 -10.179 485 HD2 PRO 64 1HD PRO 64 9.678 9.744 -10.315 486 HD3 PRO 64 2HD PRO 64 10.990 10.737 -9.647 487 H ASP 65 H ASP 65 7.522 9.292 -8.832 488 HA ASP 65 HA ASP 65 4.969 9.785 -7.684 489 HB2 ASP 65 1HB ASP 65 5.531 7.313 -9.274 490 HB3 ASP 65 2HB ASP 65 4.120 8.366 -9.308 491 H ILE 66 H ILE 66 7.485 7.445 -7.104 492 HA ILE 66 HA ILE 66 5.954 5.538 -5.692 493 HB ILE 66 HB ILE 66 8.888 6.192 -5.698 494 HG12 ILE 66 1HG1 ILE 66 7.275 3.817 -6.652 495 HG13 ILE 66 2HG1 ILE 66 7.998 5.058 -7.670 496 HG21 ILE 66 1HG2 ILE 66 7.373 4.483 -3.817 497 HG22 ILE 66 2HG2 ILE 66 8.882 3.831 -4.455 498 HG23 ILE 66 3HG2 ILE 66 8.882 5.366 -3.586 499 HD11 ILE 66 1HD1 ILE 66 9.562 3.429 -7.877 500 HD12 ILE 66 2HD1 ILE 66 10.200 4.254 -6.455 501 HD13 ILE 66 3HD1 ILE 66 9.258 2.775 -6.268 502 H HIS 67 H HIS 67 5.023 5.673 -3.767 503 HA HIS 67 HA HIS 67 6.149 7.523 -1.774 504 HB2 HIS 67 1HB HIS 67 3.196 7.052 -2.222 505 HB3 HIS 67 2HB HIS 67 3.924 8.179 -1.081 506 HD1 HIS 67 1HD HIS 67 5.701 9.908 -2.560 507 HD2 HIS 67 2HD HIS 67 2.269 8.404 -4.353 508 HE1 HIS 67 1HE HIS 67 5.210 11.459 -4.477 509 HE2 HIS 67 2HE HIS 67 3.081 10.578 -5.495 510 HA PRO 68 HA PRO 68 6.133 4.044 0.921 511 HB2 PRO 68 1HB PRO 68 6.144 5.342 3.305 512 HB3 PRO 68 2HB PRO 68 7.560 5.257 2.251 513 HG2 PRO 68 1HG PRO 68 5.577 7.474 2.583 514 HG3 PRO 68 2HG PRO 68 7.343 7.564 2.453 515 HD2 PRO 68 1HD PRO 68 5.700 8.082 0.364 516 HD3 PRO 68 2HD PRO 68 7.309 7.361 0.157 517 H VAL 69 H VAL 69 4.839 2.940 2.485 518 HA VAL 69 HA VAL 69 2.112 3.016 2.086 519 HB VAL 69 HB VAL 69 3.747 1.933 4.363 520 HG11 VAL 69 1HG1 VAL 69 1.630 2.573 5.347 521 HG12 VAL 69 2HG1 VAL 69 0.751 1.760 4.051 522 HG13 VAL 69 3HG1 VAL 69 1.711 0.818 5.193 523 HG21 VAL 69 1HG2 VAL 69 2.742 0.969 1.814 524 HG22 VAL 69 2HG2 VAL 69 4.008 0.311 2.851 525 HG23 VAL 69 3HG2 VAL 69 2.319 -0.098 3.153 526 H GLY 70 H GLY 70 4.045 5.036 4.102 527 HA2 GLY 70 1HA GLY 70 1.664 6.031 5.516 528 HA3 GLY 70 2HA GLY 70 3.330 6.320 5.994 529 H TRP 71 H TRP 71 1.816 6.715 2.813 530 HA TRP 71 HA TRP 71 2.835 9.450 2.735 531 HB2 TRP 71 1HB TRP 71 3.326 8.024 0.816 532 HB3 TRP 71 2HB TRP 71 1.607 7.727 0.572 533 HD1 TRP 71 HD TRP 71 4.295 10.383 0.033 534 HE1 TRP 71 1HE TRP 71 3.366 12.193 -1.543 535 HE3 TRP 71 3HE TRP 71 -0.578 8.851 -0.179 536 HZ2 TRP 71 2HZ TRP 71 0.894 12.882 -2.719 537 HZ3 TRP 71 3HZ TRP 71 -2.161 10.141 -1.552 538 HH2 TRP 71 HH TRP 71 -1.438 12.115 -2.795 539 H CYS 72 H CYS 72 -0.220 7.718 2.144 540 HA CYS 72 HA CYS 72 -1.933 9.724 1.557 541 HB2 CYS 72 1HB CYS 72 -3.706 8.446 2.669 542 HB3 CYS 72 2HB CYS 72 -2.626 7.381 1.779 543 HG CYS 72 HG CYS 72 -1.249 6.510 4.056 544 H SER 73 H SER 73 -0.572 9.027 4.725 545 HA SER 73 HA SER 73 -2.178 10.946 6.113 546 HB2 SER 73 1HB SER 73 -0.356 10.587 7.915 547 HB3 SER 73 2HB SER 73 -1.374 9.214 7.481 548 HG SER 73 HG SER 73 1.117 9.076 7.543 549 H LYS 74 H LYS 74 1.335 10.866 5.485 550 HA LYS 74 HA LYS 74 2.163 13.278 6.259 551 HB2 LYS 74 1HB LYS 74 2.822 11.702 3.808 552 HB3 LYS 74 2HB LYS 74 3.508 13.311 3.986 553 HG2 LYS 74 1HG LYS 74 4.832 12.707 5.747 554 HG3 LYS 74 2HG LYS 74 3.749 11.410 6.259 555 HD2 LYS 74 1HD LYS 74 5.668 10.349 5.374 556 HD3 LYS 74 2HD LYS 74 4.415 10.197 4.140 557 HE2 LYS 74 1HE LYS 74 6.223 12.554 4.022 558 HE3 LYS 74 2HE LYS 74 6.875 10.984 3.551 559 HZ1 LYS 74 1HZ LYS 74 4.816 12.606 2.258 560 HZ2 LYS 74 2HZ LYS 74 4.650 10.925 2.172 561 HZ3 LYS 74 3HZ LYS 74 6.044 11.668 1.569 562 H THR 75 H THR 75 0.912 12.836 2.945 563 HA THR 75 HA THR 75 0.571 15.657 2.575 564 HB THR 75 HB THR 75 -0.448 15.059 0.417 565 HG1 THR 75 1HG THR 75 -0.253 12.423 1.469 566 HG21 THR 75 1HG2 THR 75 2.187 14.141 1.308 567 HG22 THR 75 2HG2 THR 75 1.739 15.100 -0.102 568 HG23 THR 75 3HG2 THR 75 1.608 13.342 -0.153 569 H GLY 76 H GLY 76 -1.652 12.905 2.972 570 HA2 GLY 76 1HA GLY 76 -3.605 13.160 4.381 571 HA3 GLY 76 2HA GLY 76 -3.701 14.834 3.856 572 H HIS 77 H HIS 77 -3.059 12.219 1.632 573 HA HIS 77 HA HIS 77 -5.587 12.819 0.283 574 HB2 HIS 77 1HB HIS 77 -2.954 11.726 -0.581 575 HB3 HIS 77 2HB HIS 77 -4.384 11.221 -1.475 576 HD1 HIS 77 1HD HIS 77 -3.350 14.637 -0.142 577 HD2 HIS 77 2HD HIS 77 -4.461 12.770 -3.683 578 HE1 HIS 77 1HE HIS 77 -3.415 16.461 -1.872 579 HE2 HIS 77 2HE HIS 77 -4.172 15.322 -3.987 580 HA PRO 78 HA PRO 78 -7.472 9.044 1.519 581 HB2 PRO 78 1HB PRO 78 -9.199 8.699 -0.547 582 HB3 PRO 78 2HB PRO 78 -9.432 9.924 0.705 583 HG2 PRO 78 1HG PRO 78 -8.306 10.225 -2.052 584 HG3 PRO 78 2HG PRO 78 -9.447 11.273 -1.189 585 HD2 PRO 78 1HD PRO 78 -6.809 11.849 -1.395 586 HD3 PRO 78 2HD PRO 78 -7.778 12.305 0.021 587 H LEU 79 H LEU 79 -6.979 6.939 1.343 588 HA LEU 79 HA LEU 79 -5.511 6.067 -1.040 589 HB2 LEU 79 1HB LEU 79 -4.478 5.816 1.211 590 HB3 LEU 79 2HB LEU 79 -5.772 4.696 1.632 591 HG LEU 79 HG LEU 79 -4.991 3.198 -0.194 592 HD11 LEU 79 1HD1 LEU 79 -3.458 3.825 -1.670 593 HD12 LEU 79 2HD1 LEU 79 -2.337 4.296 -0.393 594 HD13 LEU 79 3HD1 LEU 79 -3.538 5.447 -0.981 595 HD21 LEU 79 1HD2 LEU 79 -4.303 2.602 1.971 596 HD22 LEU 79 2HD2 LEU 79 -3.151 3.935 2.064 597 HD23 LEU 79 3HD2 LEU 79 -2.832 2.565 0.998 598 H GLN 80 H GLN 80 -6.084 4.248 -2.204 599 HA GLN 80 HA GLN 80 -8.835 3.311 -1.758 600 HB2 GLN 80 1HB GLN 80 -7.166 3.214 -4.278 601 HB3 GLN 80 2HB GLN 80 -8.839 2.690 -4.131 602 HG2 GLN 80 1HG GLN 80 -7.740 5.476 -3.996 603 HG3 GLN 80 2HG GLN 80 -8.916 4.809 -5.128 604 HE21 GLN 80 1HE2 GLN 80 -11.046 4.605 -4.513 605 HE22 GLN 80 2HE2 GLN 80 -11.683 5.342 -3.086 606 HA PRO 81 HA PRO 81 -7.097 -0.588 -0.552 607 HB2 PRO 81 1HB PRO 81 -9.443 -1.949 -0.433 608 HB3 PRO 81 2HB PRO 81 -8.934 -0.801 0.811 609 HG2 PRO 81 1HG PRO 81 -10.834 -0.405 -1.468 610 HG3 PRO 81 2HG PRO 81 -10.982 0.126 0.217 611 HD2 PRO 81 1HD PRO 81 -10.204 1.790 -1.772 612 HD3 PRO 81 2HD PRO 81 -9.611 1.951 -0.106 613 HA PRO 82 HA PRO 82 -6.686 -2.798 -4.349 614 HB2 PRO 82 1HB PRO 82 -5.888 -5.199 -3.367 615 HB3 PRO 82 2HB PRO 82 -4.836 -3.779 -3.405 616 HG2 PRO 82 1HG PRO 82 -6.427 -4.896 -1.129 617 HG3 PRO 82 2HG PRO 82 -4.767 -4.273 -1.134 618 HD2 PRO 82 1HD PRO 82 -6.869 -2.810 -0.255 619 HD3 PRO 82 2HD PRO 82 -5.457 -2.076 -1.042 620 H LEU 83 H LEU 83 -7.264 -5.112 -5.204 621 HA LEU 83 HA LEU 83 -10.046 -5.336 -5.273 622 HB2 LEU 83 1HB LEU 83 -7.779 -7.066 -6.130 623 HB3 LEU 83 2HB LEU 83 -9.406 -7.746 -6.126 624 HG LEU 83 HG LEU 83 -8.666 -6.888 -8.337 625 HD11 LEU 83 1HD1 LEU 83 -11.066 -7.033 -7.583 626 HD12 LEU 83 2HD1 LEU 83 -10.741 -5.902 -8.896 627 HD13 LEU 83 3HD1 LEU 83 -10.981 -5.303 -7.255 628 HD21 LEU 83 1HD2 LEU 83 -7.332 -5.010 -7.702 629 HD22 LEU 83 2HD2 LEU 83 -8.695 -4.251 -6.879 630 HD23 LEU 83 3HD2 LEU 83 -8.702 -4.409 -8.636 631 H SER 84 H SER 84 -11.325 -7.280 -4.664 632 HA SER 84 HA SER 84 -11.312 -7.677 -1.904 633 HB2 SER 84 1HB SER 84 -12.703 -8.965 -4.207 634 HB3 SER 84 2HB SER 84 -12.755 -9.787 -2.647 635 HG SER 84 HG SER 84 -13.973 -8.236 -1.851 636 HA PRO 85 HA PRO 85 -8.449 -10.893 -1.070 637 HB2 PRO 85 1HB PRO 85 -9.761 -12.368 0.794 638 HB3 PRO 85 2HB PRO 85 -9.096 -10.765 1.131 639 HG2 PRO 85 1HG PRO 85 -11.912 -11.550 0.486 640 HG3 PRO 85 2HG PRO 85 -11.320 -10.411 1.709 641 HD2 PRO 85 1HD PRO 85 -12.319 -9.601 -0.674 642 HD3 PRO 85 2HD PRO 85 -11.034 -8.716 0.174 643 H LEU 86 H LEU 86 -11.363 -11.532 -2.613 644 HA LEU 86 HA LEU 86 -11.058 -14.407 -2.753 645 HB2 LEU 86 1HB LEU 86 -13.060 -14.416 -4.014 646 HB3 LEU 86 2HB LEU 86 -13.273 -13.244 -2.715 647 HG LEU 86 HG LEU 86 -12.528 -11.540 -4.584 648 HD11 LEU 86 1HD1 LEU 86 -12.313 -13.721 -6.100 649 HD12 LEU 86 2HD1 LEU 86 -12.782 -12.151 -6.750 650 HD13 LEU 86 3HD1 LEU 86 -14.015 -13.357 -6.384 651 HD21 LEU 86 1HD2 LEU 86 -14.624 -11.355 -3.475 652 HD22 LEU 86 2HD2 LEU 86 -15.251 -12.792 -4.282 653 HD23 LEU 86 3HD2 LEU 86 -14.950 -11.321 -5.208 654 H GLU 87 H GLU 87 -10.044 -11.639 -4.522 655 HA GLU 87 HA GLU 87 -9.597 -13.039 -7.004 656 HB2 GLU 87 1HB GLU 87 -8.873 -10.283 -6.020 657 HB3 GLU 87 2HB GLU 87 -8.349 -10.890 -7.585 658 HG2 GLU 87 1HG GLU 87 -11.236 -10.808 -6.769 659 HG3 GLU 87 2HG GLU 87 -10.427 -9.455 -7.558 660 H LEU 88 H LEU 88 -7.392 -11.385 -4.734 661 HA LEU 88 HA LEU 88 -5.013 -12.375 -5.740 662 HB2 LEU 88 1HB LEU 88 -4.016 -11.804 -3.632 663 HB3 LEU 88 2HB LEU 88 -5.209 -10.581 -4.063 664 HG LEU 88 HG LEU 88 -6.752 -12.068 -2.499 665 HD11 LEU 88 1HD1 LEU 88 -4.817 -13.687 -2.185 666 HD12 LEU 88 2HD1 LEU 88 -5.636 -13.127 -0.728 667 HD13 LEU 88 3HD1 LEU 88 -4.078 -12.437 -1.184 668 HD21 LEU 88 1HD2 LEU 88 -5.394 -10.592 -0.607 669 HD22 LEU 88 2HD2 LEU 88 -6.718 -10.018 -1.622 670 HD23 LEU 88 3HD2 LEU 88 -5.046 -9.746 -2.115 671 H MET 89 H MET 89 -7.237 -13.833 -3.425 672 HA MET 89 HA MET 89 -5.566 -16.022 -2.734 673 HB2 MET 89 1HB MET 89 -7.372 -15.395 -1.268 674 HB3 MET 89 2HB MET 89 -8.556 -15.644 -2.544 675 HG2 MET 89 1HG MET 89 -7.760 -18.074 -2.552 676 HG3 MET 89 2HG MET 89 -6.997 -17.688 -1.011 677 HE1 MET 89 1HE MET 89 -9.982 -18.374 -3.042 678 HE2 MET 89 2HE MET 89 -11.359 -18.416 -1.940 679 HE3 MET 89 3HE MET 89 -10.780 -16.873 -2.571 680 H GLU 90 H GLU 90 -8.252 -15.663 -5.034 681 HA GLU 90 HA GLU 90 -7.994 -18.354 -6.002 682 HB2 GLU 90 1HB GLU 90 -10.138 -17.053 -5.998 683 HB3 GLU 90 2HB GLU 90 -9.469 -16.045 -7.273 684 HG2 GLU 90 1HG GLU 90 -9.484 -17.790 -8.824 685 HG3 GLU 90 2HG GLU 90 -9.659 -19.018 -7.572 686 H ALA 91 H ALA 91 -5.818 -18.490 -6.654 687 HA ALA 91 HA ALA 91 -5.345 -17.930 -9.375 688 HB1 ALA 91 1HB ALA 91 -5.077 -15.632 -8.520 689 HB2 ALA 91 2HB ALA 91 -3.766 -16.193 -7.482 690 HB3 ALA 91 3HB ALA 91 -3.596 -16.269 -9.235 691 H SER 92 H SER 92 -3.780 -19.244 -10.136 692 HA SER 92 HA SER 92 -2.829 -21.412 -8.904 693 HB2 SER 92 1HB SER 92 -2.427 -20.850 -11.297 694 HB3 SER 92 2HB SER 92 -1.130 -19.766 -10.795 695 HG SER 92 HG SER 92 -0.448 -21.888 -9.631 696 H GLU 93 H GLU 93 -1.202 -22.038 -7.548 697 HA GLU 93 HA GLU 93 0.427 -19.887 -6.364 698 HB2 GLU 93 1HB GLU 93 -1.439 -20.821 -4.906 699 HB3 GLU 93 2HB GLU 93 -0.533 -22.327 -4.876 700 HG2 GLU 93 1HG GLU 93 0.120 -21.289 -2.923 701 HG3 GLU 93 2HG GLU 93 1.424 -20.885 -4.038 702 H HIS 94 H HIS 94 2.569 -20.237 -6.170 703 HA HIS 94 HA HIS 94 3.774 -22.344 -7.622 704 HB2 HIS 94 1HB HIS 94 4.804 -20.107 -7.296 705 HB3 HIS 94 2HB HIS 94 5.057 -20.497 -5.598 706 HD1 HIS 94 1HD HIS 94 7.190 -21.651 -5.030 707 HD2 HIS 94 2HD HIS 94 6.325 -21.855 -9.088 708 HE1 HIS 94 1HE HIS 94 9.215 -22.692 -6.098 709 HE2 HIS 94 2HE HIS 94 8.703 -22.727 -8.563 710 H GLY 95 H GLY 95 5.544 -23.737 -6.618 711 HA2 GLY 95 1HA GLY 95 5.577 -24.495 -3.943 712 HA3 GLY 95 2HA GLY 95 4.345 -25.475 -4.725 713 H GLY 96 H GLY 96 7.171 -25.936 -3.572 714 HA2 GLY 96 1HA GLY 96 7.928 -27.852 -5.621 715 HA3 GLY 96 2HA GLY 96 9.110 -26.593 -5.296 716 H CYS 97 H CYS 97 10.295 -28.723 -4.823 717 HA CYS 97 HA CYS 97 9.717 -30.127 -2.432 718 HB2 CYS 97 1HB CYS 97 11.910 -31.133 -2.700 719 HB3 CYS 97 2HB CYS 97 11.111 -31.043 -4.265 720 HG CYS 97 HG CYS 97 13.642 -29.032 -3.149 721 H SER 98 H SER 98 10.332 -29.802 -0.365 722 HA SER 98 HA SER 98 11.936 -27.392 0.188 723 HB2 SER 98 1HB SER 98 9.682 -28.626 1.785 724 HB3 SER 98 2HB SER 98 10.702 -27.315 2.375 725 HG SER 98 HG SER 98 9.360 -27.092 -0.091 726 H THR 99 H THR 99 13.069 -27.464 2.334 727 HA THR 99 HA THR 99 14.140 -30.169 2.818 728 HB THR 99 HB THR 99 16.256 -29.040 3.523 729 HG1 THR 99 1HG THR 99 15.329 -26.945 3.882 730 HG21 THR 99 1HG2 THR 99 17.118 -28.886 1.359 731 HG22 THR 99 2HG2 THR 99 15.615 -28.237 0.704 732 HG23 THR 99 3HG2 THR 99 15.715 -29.936 1.163 733 HA PRO 100 HA PRO 100 12.752 -29.725 6.982 734 HB2 PRO 100 1HB PRO 100 14.302 -31.643 8.119 735 HB3 PRO 100 2HB PRO 100 12.901 -32.015 7.108 736 HG2 PRO 100 1HG PRO 100 15.806 -31.997 6.387 737 HG3 PRO 100 2HG PRO 100 14.553 -33.175 5.954 738 HD2 PRO 100 1HD PRO 100 15.395 -31.250 4.246 739 HD3 PRO 100 2HD PRO 100 13.728 -31.860 4.250 740 H GLY 101 H GLY 101 13.549 -29.204 9.135 741 HA2 GLY 101 1HA GLY 101 15.648 -27.268 9.049 742 HA3 GLY 101 2HA GLY 101 14.753 -27.767 10.476 743 H SER 102 H SER 102 16.586 -27.836 11.779 744 HA SER 102 HA SER 102 18.120 -30.283 11.542 745 HB2 SER 102 1HB SER 102 20.291 -29.258 11.578 746 HB3 SER 102 2HB SER 102 19.396 -28.542 10.238 747 HG SER 102 HG SER 102 18.921 -26.772 11.647 748 H GLY 103 H GLY 103 19.445 -30.692 13.487 749 HA2 GLY 103 1HA GLY 103 18.497 -29.183 15.837 750 HA3 GLY 103 2HA GLY 103 18.417 -30.939 15.811 751 HA PRO 104 HA PRO 104 23.080 -29.553 16.027 752 HB2 PRO 104 1HB PRO 104 23.451 -27.081 17.088 753 HB3 PRO 104 2HB PRO 104 23.303 -27.368 15.350 754 HG2 PRO 104 1HG PRO 104 21.236 -26.417 17.295 755 HG3 PRO 104 2HG PRO 104 21.581 -25.836 15.655 756 HD2 PRO 104 1HD PRO 104 19.529 -27.515 16.204 757 HD3 PRO 104 2HD PRO 104 20.411 -27.557 14.664 758 H SER 105 H SER 105 20.908 -28.093 18.442 759 HA SER 105 HA SER 105 21.031 -28.065 20.740 760 HB2 SER 105 1HB SER 105 21.088 -30.435 21.665 761 HB3 SER 105 2HB SER 105 19.854 -30.114 20.447 762 HG SER 105 HG SER 105 22.365 -31.099 19.662 763 H SER 106 H SER 106 23.343 -27.058 20.031 764 HA SER 106 HA SER 106 25.628 -26.970 20.365 765 HB2 SER 106 1HB SER 106 26.137 -26.721 22.687 766 HB3 SER 106 2HB SER 106 24.473 -26.177 22.477 767 HG SER 106 HG SER 106 24.101 -28.602 23.003 768 H GLY 107 H GLY 107 25.026 -29.445 19.266 769 HA2 GLY 107 1HA GLY 107 26.028 -31.626 20.780 770 HA3 GLY 107 2HA GLY 107 25.825 -31.588 19.035 Start of MODEL 6 1 H1 GLY 1 H GLY 1 9.015 -14.574 8.792 2 HA2 GLY 1 1HA GLY 1 9.810 -16.575 7.037 3 HA3 GLY 1 2HA GLY 1 10.593 -15.099 6.493 4 H SER 2 H SER 2 12.496 -16.544 7.014 5 HA SER 2 HA SER 2 13.113 -16.804 9.835 6 HB2 SER 2 1HB SER 2 14.483 -17.638 7.292 7 HB3 SER 2 2HB SER 2 15.349 -17.666 8.827 8 HG SER 2 HG SER 2 13.918 -19.156 9.605 9 H SER 3 H SER 3 15.245 -16.041 10.648 10 HA SER 3 HA SER 3 15.733 -13.305 9.696 11 HB2 SER 3 1HB SER 3 16.674 -12.884 11.934 12 HB3 SER 3 2HB SER 3 15.020 -13.488 12.037 13 HG SER 3 HG SER 3 16.097 -14.707 13.472 14 H GLY 4 H GLY 4 17.985 -12.500 9.882 15 HA2 GLY 4 1HA GLY 4 20.240 -14.092 10.153 16 HA3 GLY 4 2HA GLY 4 19.758 -14.211 8.468 17 H SER 5 H SER 5 21.938 -12.778 10.259 18 HA SER 5 HA SER 5 21.659 -10.054 9.292 19 HB2 SER 5 1HB SER 5 22.544 -10.582 11.583 20 HB3 SER 5 2HB SER 5 23.971 -11.276 10.815 21 HG SER 5 HG SER 5 23.732 -8.949 9.719 22 H SER 6 H SER 6 22.323 -9.481 7.342 23 HA SER 6 HA SER 6 24.644 -10.872 6.176 24 HB2 SER 6 1HB SER 6 22.416 -11.441 5.107 25 HB3 SER 6 2HB SER 6 22.330 -9.760 4.581 26 HG SER 6 HG SER 6 23.269 -10.850 2.925 27 H GLY 7 H GLY 7 26.059 -9.633 4.904 28 HA2 GLY 7 1HA GLY 7 26.069 -6.805 5.618 29 HA3 GLY 7 2HA GLY 7 27.398 -7.702 4.898 30 H VAL 8 H VAL 8 24.788 -5.599 4.335 31 HA VAL 8 HA VAL 8 25.548 -5.301 1.572 32 HB VAL 8 HB VAL 8 23.949 -7.158 1.402 33 HG11 VAL 8 1HG1 VAL 8 22.009 -5.228 2.672 34 HG12 VAL 8 2HG1 VAL 8 21.574 -6.777 1.947 35 HG13 VAL 8 3HG1 VAL 8 22.610 -6.729 3.374 36 HG21 VAL 8 1HG2 VAL 8 23.004 -4.508 0.323 37 HG22 VAL 8 2HG2 VAL 8 24.073 -5.667 -0.467 38 HG23 VAL 8 3HG2 VAL 8 22.376 -6.069 -0.205 39 H LYS 9 H LYS 9 24.754 -3.383 0.626 40 HA LYS 9 HA LYS 9 23.545 -1.510 2.554 41 HB2 LYS 9 1HB LYS 9 25.562 -1.039 0.361 42 HB3 LYS 9 2HB LYS 9 24.690 0.269 1.148 43 HG2 LYS 9 1HG LYS 9 25.625 -0.457 3.314 44 HG3 LYS 9 2HG LYS 9 26.562 -1.688 2.464 45 HD2 LYS 9 1HD LYS 9 26.746 1.221 1.738 46 HD3 LYS 9 2HD LYS 9 27.729 0.522 3.026 47 HE2 LYS 9 1HE LYS 9 27.672 -0.838 0.379 48 HE3 LYS 9 2HE LYS 9 28.600 0.652 0.538 49 HZ1 LYS 9 1HZ LYS 9 30.133 -0.966 1.064 50 HZ2 LYS 9 2HZ LYS 9 29.013 -1.936 1.880 51 HZ3 LYS 9 3HZ LYS 9 29.581 -0.514 2.598 52 HA PRO 10 HA PRO 10 20.151 -0.934 -0.176 53 HB2 PRO 10 1HB PRO 10 19.468 1.623 0.428 54 HB3 PRO 10 2HB PRO 10 19.164 0.264 1.517 55 HG2 PRO 10 1HG PRO 10 21.384 2.272 1.567 56 HG3 PRO 10 2HG PRO 10 20.427 1.629 2.914 57 HD2 PRO 10 1HD PRO 10 22.919 0.738 2.342 58 HD3 PRO 10 2HD PRO 10 21.664 -0.312 3.032 59 HA PRO 11 HA PRO 11 22.265 0.923 -3.682 60 HB2 PRO 11 1HB PRO 11 20.510 0.000 -5.536 61 HB3 PRO 11 2HB PRO 11 21.778 -1.008 -4.829 62 HG2 PRO 11 1HG PRO 11 18.873 -0.848 -4.125 63 HG3 PRO 11 2HG PRO 11 19.906 -2.279 -4.296 64 HD2 PRO 11 1HD PRO 11 19.269 -1.221 -1.886 65 HD3 PRO 11 2HD PRO 11 20.822 -2.024 -2.196 66 H HIS 12 H HIS 12 18.746 1.052 -3.193 67 HA HIS 12 HA HIS 12 18.802 3.836 -4.151 68 HB2 HIS 12 1HB HIS 12 16.286 3.194 -4.769 69 HB3 HIS 12 2HB HIS 12 17.617 2.954 -5.897 70 HD1 HIS 12 1HD HIS 12 15.792 0.934 -3.235 71 HD2 HIS 12 2HD HIS 12 17.727 0.439 -6.878 72 HE1 HIS 12 1HE HIS 12 15.500 -1.492 -3.827 73 HE2 HIS 12 2HE HIS 12 16.752 -1.787 -5.992 74 H GLY 13 H GLY 13 17.262 1.441 -2.065 75 HA2 GLY 13 1HA GLY 13 16.967 2.312 0.276 76 HA3 GLY 13 2HA GLY 13 16.135 3.664 -0.477 77 H PHE 14 H PHE 14 15.859 0.275 -1.407 78 HA PHE 14 HA PHE 14 13.147 0.208 -0.287 79 HB2 PHE 14 1HB PHE 14 13.931 -0.446 -3.129 80 HB3 PHE 14 2HB PHE 14 12.408 -0.957 -2.410 81 HD1 PHE 14 1HD PHE 14 14.423 2.171 -2.731 82 HD2 PHE 14 2HD PHE 14 10.582 0.343 -2.866 83 HE1 PHE 14 1HE PHE 14 13.419 4.333 -3.338 84 HE2 PHE 14 2HE PHE 14 9.572 2.502 -3.474 85 HZ PHE 14 HZ PHE 14 10.990 4.501 -3.712 86 H GLN 15 H GLN 15 12.232 -2.119 -0.570 87 HA GLN 15 HA GLN 15 14.281 -4.176 -0.398 88 HB2 GLN 15 1HB GLN 15 12.355 -3.644 1.871 89 HB3 GLN 15 2HB GLN 15 13.461 -5.007 1.767 90 HG2 GLN 15 1HG GLN 15 15.334 -3.675 2.107 91 HG3 GLN 15 2HG GLN 15 14.477 -2.196 1.676 92 HE21 GLN 15 1HE2 GLN 15 15.974 -3.345 4.130 93 HE22 GLN 15 2HE2 GLN 15 14.943 -2.910 5.446 94 H LYS 16 H LYS 16 13.332 -6.368 -0.276 95 HA LYS 16 HA LYS 16 10.955 -6.493 -1.951 96 HB2 LYS 16 1HB LYS 16 13.099 -8.441 -1.177 97 HB3 LYS 16 2HB LYS 16 11.580 -9.028 -1.842 98 HG2 LYS 16 1HG LYS 16 11.963 -8.074 -3.911 99 HG3 LYS 16 2HG LYS 16 13.112 -6.898 -3.269 100 HD2 LYS 16 1HD LYS 16 13.660 -9.856 -3.276 101 HD3 LYS 16 2HD LYS 16 14.078 -8.811 -4.636 102 HE2 LYS 16 1HE LYS 16 15.618 -7.585 -3.359 103 HE3 LYS 16 2HE LYS 16 14.968 -8.190 -1.836 104 HZ1 LYS 16 1HZ LYS 16 16.638 -9.627 -3.811 105 HZ2 LYS 16 2HZ LYS 16 15.752 -10.447 -2.626 106 HZ3 LYS 16 3HZ LYS 16 16.956 -9.348 -2.173 107 H LYS 17 H LYS 17 9.153 -7.838 -1.467 108 HA LYS 17 HA LYS 17 7.518 -8.719 -0.152 109 HB2 LYS 17 1HB LYS 17 9.668 -9.137 1.928 110 HB3 LYS 17 2HB LYS 17 8.119 -9.963 1.824 111 HG2 LYS 17 1HG LYS 17 8.914 -10.839 -0.426 112 HG3 LYS 17 2HG LYS 17 10.515 -10.266 0.046 113 HD2 LYS 17 1HD LYS 17 10.499 -11.690 1.995 114 HD3 LYS 17 2HD LYS 17 8.836 -12.181 1.664 115 HE2 LYS 17 1HE LYS 17 9.911 -12.885 -0.658 116 HE3 LYS 17 2HE LYS 17 11.367 -12.989 0.332 117 HZ1 LYS 17 1HZ LYS 17 9.898 -15.057 0.088 118 HZ2 LYS 17 2HZ LYS 17 8.868 -14.297 1.193 119 HZ3 LYS 17 3HZ LYS 17 10.462 -14.656 1.632 120 H MET 18 H MET 18 8.390 -5.867 -0.009 121 HA MET 18 HA MET 18 7.306 -5.206 2.649 122 HB2 MET 18 1HB MET 18 8.600 -3.281 2.713 123 HB3 MET 18 2HB MET 18 9.674 -4.419 1.910 124 HG2 MET 18 1HG MET 18 9.121 -3.480 -0.244 125 HG3 MET 18 2HG MET 18 7.948 -2.398 0.502 126 HE1 MET 18 1HE MET 18 8.860 -0.784 -0.869 127 HE2 MET 18 2HE MET 18 9.381 0.468 0.258 128 HE3 MET 18 3HE MET 18 10.517 -0.182 -0.925 129 H LYS 19 H LYS 19 6.193 -2.967 2.616 130 HA LYS 19 HA LYS 19 4.345 -2.929 0.323 131 HB2 LYS 19 1HB LYS 19 3.932 -2.169 3.215 132 HB3 LYS 19 2HB LYS 19 2.780 -1.773 1.946 133 HG2 LYS 19 1HG LYS 19 3.653 -4.553 2.710 134 HG3 LYS 19 2HG LYS 19 2.136 -3.781 3.180 135 HD2 LYS 19 1HD LYS 19 1.931 -3.448 0.555 136 HD3 LYS 19 2HD LYS 19 2.991 -4.860 0.545 137 HE2 LYS 19 1HE LYS 19 0.389 -4.702 2.059 138 HE3 LYS 19 2HE LYS 19 0.553 -5.394 0.446 139 HZ1 LYS 19 1HZ LYS 19 0.623 -7.026 2.313 140 HZ2 LYS 19 2HZ LYS 19 2.099 -6.350 2.788 141 HZ3 LYS 19 3HZ LYS 19 1.958 -7.091 1.274 142 H LEU 20 H LEU 20 3.593 -0.886 -0.442 143 HA LEU 20 HA LEU 20 4.625 1.583 0.490 144 HB2 LEU 20 1HB LEU 20 6.364 2.040 -0.891 145 HB3 LEU 20 2HB LEU 20 6.563 0.293 -0.763 146 HG LEU 20 HG LEU 20 5.023 0.362 -2.938 147 HD11 LEU 20 1HD1 LEU 20 6.229 2.366 -4.237 148 HD12 LEU 20 2HD1 LEU 20 6.108 3.092 -2.635 149 HD13 LEU 20 3HD1 LEU 20 4.654 2.530 -3.459 150 HD21 LEU 20 1HD2 LEU 20 7.990 0.904 -2.971 151 HD22 LEU 20 2HD2 LEU 20 7.043 0.146 -4.252 152 HD23 LEU 20 3HD2 LEU 20 7.248 -0.673 -2.703 153 H GLU 21 H GLU 21 3.579 3.309 -0.430 154 HA GLU 21 HA GLU 21 1.290 2.675 -2.066 155 HB2 GLU 21 1HB GLU 21 2.270 5.298 -0.928 156 HB3 GLU 21 2HB GLU 21 0.755 5.093 -1.796 157 HG2 GLU 21 1HG GLU 21 0.147 3.370 -0.040 158 HG3 GLU 21 2HG GLU 21 1.533 3.965 0.873 159 H VAL 22 H VAL 22 1.361 2.601 -4.202 160 HA VAL 22 HA VAL 22 3.342 4.267 -5.612 161 HB VAL 22 HB VAL 22 2.033 1.704 -6.536 162 HG11 VAL 22 1HG1 VAL 22 3.560 1.841 -8.440 163 HG12 VAL 22 2HG1 VAL 22 2.477 3.234 -8.388 164 HG13 VAL 22 3HG1 VAL 22 4.152 3.397 -7.858 165 HG21 VAL 22 1HG2 VAL 22 4.251 0.722 -6.312 166 HG22 VAL 22 2HG2 VAL 22 4.885 2.256 -5.715 167 HG23 VAL 22 3HG2 VAL 22 3.695 1.364 -4.766 168 H VAL 23 H VAL 23 2.684 5.689 -7.124 169 HA VAL 23 HA VAL 23 -0.124 6.285 -7.308 170 HB VAL 23 HB VAL 23 2.238 7.540 -8.712 171 HG11 VAL 23 1HG1 VAL 23 0.839 9.211 -9.524 172 HG12 VAL 23 2HG1 VAL 23 -0.104 7.740 -9.774 173 HG13 VAL 23 3HG1 VAL 23 -0.463 8.798 -8.409 174 HG21 VAL 23 1HG2 VAL 23 0.731 8.978 -6.620 175 HG22 VAL 23 2HG2 VAL 23 1.736 7.635 -6.074 176 HG23 VAL 23 3HG2 VAL 23 2.460 8.969 -6.972 177 H ASP 24 H ASP 24 -1.493 5.493 -8.753 178 HA ASP 24 HA ASP 24 -0.812 3.639 -10.721 179 HB2 ASP 24 1HB ASP 24 -3.114 4.184 -9.646 180 HB3 ASP 24 2HB ASP 24 -3.266 5.356 -10.951 181 H LYS 25 H LYS 25 0.481 4.034 -12.393 182 HA LYS 25 HA LYS 25 1.236 6.374 -13.527 183 HB2 LYS 25 1HB LYS 25 0.694 4.141 -15.423 184 HB3 LYS 25 2HB LYS 25 2.124 5.152 -15.260 185 HG2 LYS 25 1HG LYS 25 1.313 2.815 -13.554 186 HG3 LYS 25 2HG LYS 25 2.735 2.968 -14.589 187 HD2 LYS 25 1HD LYS 25 2.317 4.903 -12.350 188 HD3 LYS 25 2HD LYS 25 2.951 3.291 -12.006 189 HE2 LYS 25 1HE LYS 25 4.161 4.990 -14.157 190 HE3 LYS 25 2HE LYS 25 4.607 5.225 -12.467 191 HZ1 LYS 25 1HZ LYS 25 4.759 2.514 -12.891 192 HZ2 LYS 25 2HZ LYS 25 6.057 3.590 -12.752 193 HZ3 LYS 25 3HZ LYS 25 5.441 3.200 -14.279 194 H ARG 26 H ARG 26 -1.430 4.371 -14.804 195 HA ARG 26 HA ARG 26 -2.310 6.256 -16.693 196 HB2 ARG 26 1HB ARG 26 -4.309 4.426 -15.476 197 HB3 ARG 26 2HB ARG 26 -3.983 4.771 -17.169 198 HG2 ARG 26 1HG ARG 26 -1.729 3.494 -16.603 199 HG3 ARG 26 2HG ARG 26 -2.758 2.766 -15.368 200 HD2 ARG 26 1HD ARG 26 -3.269 2.818 -18.340 201 HD3 ARG 26 2HD ARG 26 -2.792 1.418 -17.380 202 HE ARG 26 HE ARG 26 -5.424 2.481 -17.672 203 HH11 ARG 26 2HH1 ARG 26 -3.299 0.801 -15.486 204 HH12 ARG 26 1HH1 ARG 26 -4.587 0.027 -14.622 205 HH21 ARG 26 2HH2 ARG 26 -7.128 1.469 -16.543 206 HH22 ARG 26 1HH2 ARG 26 -6.764 0.407 -15.225 207 H ASN 27 H ASN 27 -2.949 5.888 -13.287 208 HA ASN 27 HA ASN 27 -4.669 8.276 -13.402 209 HB2 ASN 27 1HB ASN 27 -5.092 5.680 -12.011 210 HB3 ASN 27 2HB ASN 27 -5.584 7.141 -11.158 211 HD21 ASN 27 1HD2 ASN 27 -7.097 4.887 -12.404 212 HD22 ASN 27 2HD2 ASN 27 -8.245 5.652 -13.444 213 HA PRO 28 HA PRO 28 -1.096 9.402 -10.799 214 HB2 PRO 28 1HB PRO 28 -1.274 12.055 -11.350 215 HB3 PRO 28 2HB PRO 28 -0.456 10.906 -12.415 216 HG2 PRO 28 1HG PRO 28 -3.214 12.052 -12.626 217 HG3 PRO 28 2HG PRO 28 -2.005 11.802 -13.899 218 HD2 PRO 28 1HD PRO 28 -4.084 10.111 -13.513 219 HD3 PRO 28 2HD PRO 28 -2.505 9.562 -14.110 220 H MET 29 H MET 29 -4.420 10.344 -10.826 221 HA MET 29 HA MET 29 -4.194 11.754 -8.280 222 HB2 MET 29 1HB MET 29 -6.509 11.326 -10.170 223 HB3 MET 29 2HB MET 29 -6.667 12.131 -8.614 224 HG2 MET 29 1HG MET 29 -5.240 13.905 -9.296 225 HG3 MET 29 2HG MET 29 -4.785 13.050 -10.768 226 HE1 MET 29 1HE MET 29 -6.357 12.252 -12.420 227 HE2 MET 29 2HE MET 29 -8.056 12.175 -11.952 228 HE3 MET 29 3HE MET 29 -7.525 13.351 -13.156 229 H PHE 30 H PHE 30 -3.981 8.716 -8.869 230 HA PHE 30 HA PHE 30 -5.683 7.923 -6.614 231 HB2 PHE 30 1HB PHE 30 -5.431 6.485 -9.259 232 HB3 PHE 30 2HB PHE 30 -6.096 5.737 -7.810 233 HD1 PHE 30 2HD PHE 30 -6.532 8.799 -9.893 234 HD2 PHE 30 1HD PHE 30 -8.369 5.794 -7.502 235 HE1 PHE 30 2HE PHE 30 -8.746 9.725 -10.436 236 HE2 PHE 30 1HE PHE 30 -10.586 6.715 -8.043 237 HZ PHE 30 HZ PHE 30 -10.776 8.683 -9.510 238 H ILE 31 H ILE 31 -4.679 6.703 -5.129 239 HA ILE 31 HA ILE 31 -2.101 5.477 -5.850 240 HB ILE 31 HB ILE 31 -2.731 7.012 -3.328 241 HG12 ILE 31 1HG1 ILE 31 -0.438 7.524 -5.197 242 HG13 ILE 31 2HG1 ILE 31 -2.036 8.165 -5.565 243 HG21 ILE 31 1HG2 ILE 31 -0.604 6.388 -2.478 244 HG22 ILE 31 2HG2 ILE 31 -1.409 4.902 -2.980 245 HG23 ILE 31 3HG2 ILE 31 -0.152 5.611 -3.995 246 HD11 ILE 31 1HD1 ILE 31 -1.844 9.028 -3.068 247 HD12 ILE 31 2HD1 ILE 31 -0.124 8.931 -3.445 248 HD13 ILE 31 3HD1 ILE 31 -1.188 9.930 -4.434 249 H ARG 32 H ARG 32 -1.655 3.497 -4.966 250 HA ARG 32 HA ARG 32 -3.508 2.382 -3.000 251 HB2 ARG 32 1HB ARG 32 -2.848 0.962 -5.585 252 HB3 ARG 32 2HB ARG 32 -3.891 0.371 -4.298 253 HG2 ARG 32 1HG ARG 32 -5.193 2.612 -4.809 254 HG3 ARG 32 2HG ARG 32 -4.415 2.415 -6.381 255 HD2 ARG 32 1HD ARG 32 -5.303 0.040 -6.362 256 HD3 ARG 32 2HD ARG 32 -6.288 0.524 -4.982 257 HE ARG 32 HE ARG 32 -6.636 2.316 -7.151 258 HH11 ARG 32 2HH1 ARG 32 -7.500 -0.866 -6.035 259 HH12 ARG 32 1HH1 ARG 32 -8.983 -0.919 -6.930 260 HH21 ARG 32 2HH2 ARG 32 -8.586 2.258 -8.333 261 HH22 ARG 32 1HH2 ARG 32 -9.600 0.858 -8.237 262 H VAL 33 H VAL 33 -2.725 0.323 -2.087 263 HA VAL 33 HA VAL 33 0.001 0.502 -1.361 264 HB VAL 33 HB VAL 33 -1.931 -1.792 -0.991 265 HG11 VAL 33 1HG1 VAL 33 0.623 -1.265 0.516 266 HG12 VAL 33 2HG1 VAL 33 -0.429 -2.676 0.633 267 HG13 VAL 33 3HG1 VAL 33 0.502 -2.388 -0.837 268 HG21 VAL 33 1HG2 VAL 33 -1.315 -0.390 1.410 269 HG22 VAL 33 2HG2 VAL 33 -1.823 0.780 0.191 270 HG23 VAL 33 3HG2 VAL 33 -2.875 -0.573 0.608 271 H ALA 34 H ALA 34 1.745 -0.848 -1.841 272 HA ALA 34 HA ALA 34 1.417 -2.645 -4.145 273 HB1 ALA 34 1HB ALA 34 3.841 -0.904 -3.922 274 HB2 ALA 34 2HB ALA 34 3.182 -1.727 -5.336 275 HB3 ALA 34 3HB ALA 34 2.370 -0.303 -4.686 276 H THR 35 H THR 35 3.279 -4.134 -4.418 277 HA THR 35 HA THR 35 4.652 -4.697 -1.877 278 HB THR 35 HB THR 35 3.342 -6.761 -3.659 279 HG1 THR 35 1HG THR 35 1.693 -6.426 -2.390 280 HG21 THR 35 1HG2 THR 35 5.590 -7.132 -2.180 281 HG22 THR 35 2HG2 THR 35 4.409 -8.395 -2.524 282 HG23 THR 35 3HG2 THR 35 4.341 -7.517 -0.997 283 H VAL 36 H VAL 36 6.724 -4.279 -2.343 284 HA VAL 36 HA VAL 36 7.921 -4.444 -4.869 285 HB VAL 36 HB VAL 36 9.338 -4.706 -2.215 286 HG11 VAL 36 1HG1 VAL 36 10.573 -3.250 -4.447 287 HG12 VAL 36 2HG1 VAL 36 11.280 -4.396 -3.306 288 HG13 VAL 36 3HG1 VAL 36 10.378 -4.983 -4.704 289 HG21 VAL 36 1HG2 VAL 36 8.573 -2.207 -3.724 290 HG22 VAL 36 2HG2 VAL 36 7.854 -2.761 -2.211 291 HG23 VAL 36 3HG2 VAL 36 9.548 -2.272 -2.256 292 H ALA 37 H ALA 37 7.848 -6.305 -5.993 293 HA ALA 37 HA ALA 37 8.238 -8.868 -4.736 294 HB1 ALA 37 1HB ALA 37 7.338 -7.886 -7.322 295 HB2 ALA 37 2HB ALA 37 8.375 -9.307 -7.449 296 HB3 ALA 37 3HB ALA 37 6.915 -9.366 -6.462 297 H ASP 38 H ASP 38 9.999 -7.001 -7.212 298 HA ASP 38 HA ASP 38 12.479 -8.272 -6.289 299 HB2 ASP 38 1HB ASP 38 11.430 -9.224 -8.499 300 HB3 ASP 38 2HB ASP 38 12.089 -7.756 -9.214 301 H THR 39 H THR 39 14.095 -6.880 -5.959 302 HA THR 39 HA THR 39 13.692 -4.095 -6.785 303 HB THR 39 HB THR 39 15.599 -3.669 -5.134 304 HG1 THR 39 1HG THR 39 15.473 -5.536 -3.493 305 HG21 THR 39 1HG2 THR 39 13.160 -4.883 -3.860 306 HG22 THR 39 2HG2 THR 39 13.095 -3.357 -4.741 307 HG23 THR 39 3HG2 THR 39 14.116 -3.507 -3.311 308 H ASP 40 H ASP 40 14.684 -3.504 -8.592 309 HA ASP 40 HA ASP 40 16.918 -4.954 -9.659 310 HB2 ASP 40 1HB ASP 40 15.000 -3.646 -10.897 311 HB3 ASP 40 2HB ASP 40 16.088 -2.274 -10.704 312 H ASP 41 H ASP 41 18.649 -3.230 -10.698 313 HA ASP 41 HA ASP 41 20.240 -2.467 -8.468 314 HB2 ASP 41 1HB ASP 41 20.512 -2.345 -11.432 315 HB3 ASP 41 2HB ASP 41 21.558 -1.303 -10.471 316 H HIS 42 H HIS 42 18.221 -0.714 -10.757 317 HA HIS 42 HA HIS 42 18.476 1.665 -9.050 318 HB2 HIS 42 1HB HIS 42 18.100 2.873 -11.405 319 HB3 HIS 42 2HB HIS 42 19.706 2.505 -10.783 320 HD1 HIS 42 1HD HIS 42 20.789 2.251 -13.076 321 HD2 HIS 42 2HD HIS 42 17.541 -0.273 -12.495 322 HE1 HIS 42 1HE HIS 42 20.848 0.627 -14.995 323 HE2 HIS 42 2HE HIS 42 18.824 -0.837 -14.668 324 H ARG 43 H ARG 43 16.473 -0.632 -9.847 325 HA ARG 43 HA ARG 43 14.134 1.110 -9.717 326 HB2 ARG 43 1HB ARG 43 14.289 -1.163 -11.699 327 HB3 ARG 43 2HB ARG 43 12.978 -0.008 -11.502 328 HG2 ARG 43 1HG ARG 43 14.877 1.731 -12.051 329 HG3 ARG 43 2HG ARG 43 15.621 0.324 -12.813 330 HD2 ARG 43 1HD ARG 43 13.266 0.018 -13.891 331 HD3 ARG 43 2HD ARG 43 13.069 1.723 -13.489 332 HE ARG 43 HE ARG 43 14.608 2.266 -15.118 333 HH11 ARG 43 2HH1 ARG 43 14.555 -1.180 -14.620 334 HH12 ARG 43 1HH1 ARG 43 15.506 -1.528 -16.026 335 HH21 ARG 43 2HH2 ARG 43 15.860 1.819 -16.971 336 HH22 ARG 43 1HH2 ARG 43 16.248 0.178 -17.362 337 H VAL 44 H VAL 44 12.093 -0.469 -9.598 338 HA VAL 44 HA VAL 44 12.611 -2.923 -8.169 339 HB VAL 44 HB VAL 44 11.382 -2.268 -6.136 340 HG11 VAL 44 1HG1 VAL 44 13.891 -2.158 -6.330 341 HG12 VAL 44 2HG1 VAL 44 13.717 -0.417 -6.564 342 HG13 VAL 44 3HG1 VAL 44 13.182 -1.164 -5.058 343 HG21 VAL 44 1HG2 VAL 44 10.034 -0.466 -6.887 344 HG22 VAL 44 2HG2 VAL 44 11.146 0.203 -5.692 345 HG23 VAL 44 3HG2 VAL 44 11.442 0.458 -7.412 346 H LYS 45 H LYS 45 11.130 -4.305 -8.862 347 HA LYS 45 HA LYS 45 8.846 -3.522 -10.331 348 HB2 LYS 45 1HB LYS 45 10.146 -5.727 -10.458 349 HB3 LYS 45 2HB LYS 45 9.220 -6.221 -9.047 350 HG2 LYS 45 1HG LYS 45 7.212 -6.248 -10.219 351 HG3 LYS 45 2HG LYS 45 7.848 -5.236 -11.518 352 HD2 LYS 45 1HD LYS 45 9.512 -7.288 -11.784 353 HD3 LYS 45 2HD LYS 45 8.162 -8.153 -11.045 354 HE2 LYS 45 1HE LYS 45 7.811 -6.343 -13.419 355 HE3 LYS 45 2HE LYS 45 8.221 -8.049 -13.588 356 HZ1 LYS 45 1HZ LYS 45 5.715 -7.064 -13.426 357 HZ2 LYS 45 2HZ LYS 45 5.994 -7.555 -11.832 358 HZ3 LYS 45 3HZ LYS 45 6.147 -8.667 -13.098 359 H VAL 46 H VAL 46 6.977 -2.774 -9.603 360 HA VAL 46 HA VAL 46 6.221 -3.312 -6.815 361 HB VAL 46 HB VAL 46 4.569 -1.422 -7.201 362 HG11 VAL 46 1HG1 VAL 46 6.747 0.219 -7.419 363 HG12 VAL 46 2HG1 VAL 46 6.190 -0.544 -5.928 364 HG13 VAL 46 3HG1 VAL 46 7.471 -1.296 -6.879 365 HG21 VAL 46 1HG2 VAL 46 6.134 -0.208 -9.302 366 HG22 VAL 46 2HG2 VAL 46 5.401 -1.718 -9.843 367 HG23 VAL 46 3HG2 VAL 46 4.388 -0.432 -9.187 368 H HIS 47 H HIS 47 4.782 -4.867 -6.510 369 HA HIS 47 HA HIS 47 2.826 -5.429 -8.635 370 HB2 HIS 47 1HB HIS 47 4.169 -7.359 -8.173 371 HB3 HIS 47 2HB HIS 47 3.937 -7.177 -6.436 372 HD1 HIS 47 1HD HIS 47 2.496 -8.755 -9.413 373 HD2 HIS 47 2HD HIS 47 1.256 -7.825 -5.558 374 HE1 HIS 47 1HE HIS 47 0.421 -10.122 -9.026 375 HE2 HIS 47 2HE HIS 47 -0.359 -9.478 -6.719 376 H PHE 48 H PHE 48 0.879 -4.610 -8.284 377 HA PHE 48 HA PHE 48 0.023 -3.722 -5.708 378 HB2 PHE 48 1HB PHE 48 -1.305 -3.881 -8.405 379 HB3 PHE 48 2HB PHE 48 -2.193 -3.376 -6.972 380 HD1 PHE 48 1HD PHE 48 1.248 -2.635 -8.205 381 HD2 PHE 48 2HD PHE 48 -2.557 -1.112 -7.056 382 HE1 PHE 48 1HE PHE 48 2.081 -0.340 -8.505 383 HE2 PHE 48 2HE PHE 48 -1.730 1.186 -7.355 384 HZ PHE 48 HZ PHE 48 0.591 1.575 -8.081 385 H ASP 49 H ASP 49 -0.402 -5.213 -4.198 386 HA ASP 49 HA ASP 49 -1.038 -7.804 -4.315 387 HB2 ASP 49 1HB ASP 49 -0.852 -6.449 -2.222 388 HB3 ASP 49 2HB ASP 49 -2.502 -5.892 -2.485 389 H GLY 50 H GLY 50 -2.508 -9.021 -5.296 390 HA2 GLY 50 1HA GLY 50 -4.706 -9.704 -5.809 391 HA3 GLY 50 2HA GLY 50 -5.257 -8.058 -5.536 392 H TRP 51 H TRP 51 -4.144 -6.453 -7.166 393 HA TRP 51 HA TRP 51 -5.229 -6.657 -9.604 394 HB2 TRP 51 1HB TRP 51 -2.574 -5.453 -8.842 395 HB3 TRP 51 2HB TRP 51 -3.231 -5.300 -10.469 396 HD1 TRP 51 HD TRP 51 -4.404 -4.531 -6.842 397 HE1 TRP 51 1HE TRP 51 -5.779 -2.356 -6.907 398 HE3 TRP 51 3HE TRP 51 -4.291 -3.648 -11.877 399 HZ2 TRP 51 2HZ TRP 51 -6.696 -0.511 -8.836 400 HZ3 TRP 51 3HZ TRP 51 -5.443 -1.657 -12.751 401 HH2 TRP 51 HH TRP 51 -6.620 -0.123 -11.261 402 H ASN 52 H ASN 52 -4.644 -7.381 -11.679 403 HA ASN 52 HA ASN 52 -3.519 -9.939 -11.806 404 HB2 ASN 52 1HB ASN 52 -4.374 -7.901 -13.804 405 HB3 ASN 52 2HB ASN 52 -3.354 -9.220 -14.372 406 HD21 ASN 52 1HD2 ASN 52 -5.699 -9.148 -15.496 407 HD22 ASN 52 2HD2 ASN 52 -6.776 -10.340 -14.859 408 H ASN 53 H ASN 53 -1.512 -10.696 -12.183 409 HA ASN 53 HA ASN 53 0.755 -9.301 -11.587 410 HB2 ASN 53 1HB ASN 53 0.471 -11.818 -11.955 411 HB3 ASN 53 2HB ASN 53 0.766 -11.490 -13.660 412 HD21 ASN 53 1HD2 ASN 53 2.241 -12.789 -11.254 413 HD22 ASN 53 2HD2 ASN 53 3.853 -12.193 -11.435 414 H CYS 54 H CYS 54 -0.811 -9.582 -14.727 415 HA CYS 54 HA CYS 54 1.128 -8.551 -16.393 416 HB2 CYS 54 1HB CYS 54 -1.206 -9.423 -16.986 417 HB3 CYS 54 2HB CYS 54 -1.780 -7.796 -16.638 418 HG CYS 54 HG CYS 54 -0.782 -8.892 -19.451 419 H TYR 55 H TYR 55 -1.210 -6.783 -14.400 420 HA TYR 55 HA TYR 55 -0.713 -4.203 -15.238 421 HB2 TYR 55 1HB TYR 55 -1.448 -5.315 -12.539 422 HB3 TYR 55 2HB TYR 55 -1.272 -3.584 -12.803 423 HD1 TYR 55 1HD TYR 55 -2.653 -2.612 -14.815 424 HD2 TYR 55 2HD TYR 55 -3.520 -6.296 -12.869 425 HE1 TYR 55 1HE TYR 55 -4.965 -2.500 -15.645 426 HE2 TYR 55 2HE TYR 55 -5.834 -6.194 -13.695 427 HH TYR 55 HH TYR 55 -6.836 -4.358 -16.139 428 H ASP 56 H ASP 56 1.055 -6.110 -12.834 429 HA ASP 56 HA ASP 56 2.752 -4.391 -11.679 430 HB2 ASP 56 1HB ASP 56 3.841 -6.886 -12.976 431 HB3 ASP 56 2HB ASP 56 4.351 -6.131 -11.469 432 H TYR 57 H TYR 57 4.696 -3.345 -12.128 433 HA TYR 57 HA TYR 57 5.819 -3.412 -14.785 434 HB2 TYR 57 1HB TYR 57 5.559 -0.883 -15.021 435 HB3 TYR 57 2HB TYR 57 4.121 -1.856 -15.313 436 HD1 TYR 57 2HD TYR 57 5.821 -0.078 -12.496 437 HD2 TYR 57 1HD TYR 57 2.145 -1.173 -14.337 438 HE1 TYR 57 2HE TYR 57 4.596 1.241 -10.820 439 HE2 TYR 57 1HE TYR 57 0.910 0.144 -12.667 440 HH TYR 57 HH TYR 57 2.570 2.181 -10.340 441 H TRP 58 H TRP 58 7.872 -2.468 -14.909 442 HA TRP 58 HA TRP 58 9.259 -2.319 -12.399 443 HB2 TRP 58 1HB TRP 58 10.044 -2.236 -15.282 444 HB3 TRP 58 2HB TRP 58 11.186 -1.645 -14.077 445 HD1 TRP 58 HD TRP 58 10.015 -4.778 -15.690 446 HE1 TRP 58 1HE TRP 58 11.076 -6.823 -14.542 447 HE3 TRP 58 3HE TRP 58 11.916 -2.481 -11.537 448 HZ2 TRP 58 2HZ TRP 58 12.526 -7.387 -12.187 449 HZ3 TRP 58 3HZ TRP 58 13.126 -3.845 -9.885 450 HH2 TRP 58 HH TRP 58 13.423 -6.247 -10.204 451 H ILE 59 H ILE 59 8.960 -0.540 -11.201 452 HA ILE 59 HA ILE 59 9.048 2.081 -12.532 453 HB ILE 59 HB ILE 59 7.047 1.476 -11.095 454 HG12 ILE 59 1HG1 ILE 59 8.535 3.899 -10.091 455 HG13 ILE 59 2HG1 ILE 59 7.867 3.819 -11.717 456 HG21 ILE 59 1HG2 ILE 59 8.065 0.345 -9.277 457 HG22 ILE 59 2HG2 ILE 59 9.145 1.700 -8.950 458 HG23 ILE 59 3HG2 ILE 59 7.417 1.853 -8.632 459 HD11 ILE 59 1HD1 ILE 59 5.833 4.302 -10.985 460 HD12 ILE 59 2HD1 ILE 59 5.915 3.072 -9.724 461 HD13 ILE 59 3HD1 ILE 59 6.576 4.681 -9.432 462 H ASP 60 H ASP 60 10.497 3.634 -11.918 463 HA ASP 60 HA ASP 60 12.961 2.813 -10.842 464 HB2 ASP 60 1HB ASP 60 11.795 5.560 -11.306 465 HB3 ASP 60 2HB ASP 60 13.447 5.296 -10.757 466 H ALA 61 H ALA 61 13.742 2.742 -8.826 467 HA ALA 61 HA ALA 61 12.019 2.967 -6.600 468 HB1 ALA 61 1HB ALA 61 14.213 1.592 -6.934 469 HB2 ALA 61 2HB ALA 61 14.984 3.037 -6.279 470 HB3 ALA 61 3HB ALA 61 13.769 2.180 -5.331 471 H ASP 62 H ASP 62 14.045 5.240 -8.226 472 HA ASP 62 HA ASP 62 13.848 7.142 -6.002 473 HB2 ASP 62 1HB ASP 62 15.468 7.273 -8.555 474 HB3 ASP 62 2HB ASP 62 15.484 8.488 -7.280 475 H SER 63 H SER 63 11.644 6.330 -7.871 476 HA SER 63 HA SER 63 11.138 8.653 -9.497 477 HB2 SER 63 1HB SER 63 10.366 6.320 -10.072 478 HB3 SER 63 2HB SER 63 9.192 6.458 -8.763 479 HG SER 63 HG SER 63 9.329 7.888 -11.186 480 HA PRO 64 HA PRO 64 9.178 11.129 -6.427 481 HB2 PRO 64 1HB PRO 64 7.733 12.744 -8.062 482 HB3 PRO 64 2HB PRO 64 9.485 12.888 -7.873 483 HG2 PRO 64 1HG PRO 64 7.918 11.548 -10.043 484 HG3 PRO 64 2HG PRO 64 9.349 12.586 -10.175 485 HD2 PRO 64 1HD PRO 64 9.490 9.886 -10.320 486 HD3 PRO 64 2HD PRO 64 10.796 10.875 -9.635 487 H ASP 65 H ASP 65 7.378 9.300 -8.774 488 HA ASP 65 HA ASP 65 4.786 9.835 -7.700 489 HB2 ASP 65 1HB ASP 65 5.408 7.345 -9.246 490 HB3 ASP 65 2HB ASP 65 3.971 8.362 -9.301 491 H ILE 66 H ILE 66 7.282 7.456 -7.105 492 HA ILE 66 HA ILE 66 5.716 5.622 -5.628 493 HB ILE 66 HB ILE 66 8.679 6.172 -5.629 494 HG12 ILE 66 1HG1 ILE 66 7.054 3.859 -6.709 495 HG13 ILE 66 2HG1 ILE 66 7.683 5.188 -7.677 496 HG21 ILE 66 1HG2 ILE 66 8.179 3.619 -4.563 497 HG22 ILE 66 2HG2 ILE 66 8.884 5.014 -3.748 498 HG23 ILE 66 3HG2 ILE 66 7.143 4.743 -3.684 499 HD11 ILE 66 1HD1 ILE 66 9.179 2.985 -6.314 500 HD12 ILE 66 2HD1 ILE 66 9.201 3.463 -8.012 501 HD13 ILE 66 3HD1 ILE 66 9.980 4.479 -6.799 502 H HIS 67 H HIS 67 4.958 5.698 -3.615 503 HA HIS 67 HA HIS 67 6.119 7.651 -1.744 504 HB2 HIS 67 1HB HIS 67 3.181 7.062 -2.159 505 HB3 HIS 67 2HB HIS 67 3.831 8.067 -0.868 506 HD1 HIS 67 1HD HIS 67 5.421 10.138 -1.933 507 HD2 HIS 67 2HD HIS 67 2.382 8.535 -4.269 508 HE1 HIS 67 1HE HIS 67 4.939 11.871 -3.690 509 HE2 HIS 67 2HE HIS 67 3.039 10.915 -5.040 510 HA PRO 68 HA PRO 68 6.452 4.246 1.024 511 HB2 PRO 68 1HB PRO 68 6.563 5.606 3.371 512 HB3 PRO 68 2HB PRO 68 7.907 5.558 2.224 513 HG2 PRO 68 1HG PRO 68 5.847 7.690 2.640 514 HG3 PRO 68 2HG PRO 68 7.594 7.857 2.387 515 HD2 PRO 68 1HD PRO 68 5.791 8.243 0.404 516 HD3 PRO 68 2HD PRO 68 7.415 7.592 0.104 517 H VAL 69 H VAL 69 5.350 3.181 2.793 518 HA VAL 69 HA VAL 69 2.539 3.276 2.570 519 HB VAL 69 HB VAL 69 4.385 1.885 4.492 520 HG11 VAL 69 1HG1 VAL 69 2.722 1.775 5.975 521 HG12 VAL 69 2HG1 VAL 69 1.549 2.428 4.829 522 HG13 VAL 69 3HG1 VAL 69 1.917 0.702 4.831 523 HG21 VAL 69 1HG2 VAL 69 4.450 0.701 2.535 524 HG22 VAL 69 2HG2 VAL 69 3.070 -0.075 3.314 525 HG23 VAL 69 3HG2 VAL 69 2.808 1.154 2.077 526 H GLY 70 H GLY 70 1.776 5.328 3.068 527 HA2 GLY 70 1HA GLY 70 0.560 6.110 5.167 528 HA3 GLY 70 2HA GLY 70 2.174 6.218 5.853 529 H TRP 71 H TRP 71 1.699 7.025 2.521 530 HA TRP 71 HA TRP 71 2.535 9.744 3.054 531 HB2 TRP 71 1HB TRP 71 3.614 8.881 1.175 532 HB3 TRP 71 2HB TRP 71 2.158 8.088 0.581 533 HD1 TRP 71 HD TRP 71 4.200 11.152 0.115 534 HE1 TRP 71 1HE TRP 71 3.001 12.793 -1.465 535 HE3 TRP 71 3HE TRP 71 -0.417 8.958 0.017 536 HZ2 TRP 71 2HZ TRP 71 0.437 13.114 -2.602 537 HZ3 TRP 71 3HZ TRP 71 -2.187 9.996 -1.340 538 HH2 TRP 71 HH TRP 71 -1.767 12.031 -2.622 539 H CYS 72 H CYS 72 -0.392 8.126 2.834 540 HA CYS 72 HA CYS 72 -1.931 10.206 1.590 541 HB2 CYS 72 1HB CYS 72 -3.883 8.865 2.306 542 HB3 CYS 72 2HB CYS 72 -2.690 7.901 1.445 543 HG CYS 72 HG CYS 72 -4.039 6.710 3.818 544 H SER 73 H SER 73 -0.844 9.481 4.785 545 HA SER 73 HA SER 73 -2.785 11.217 6.065 546 HB2 SER 73 1HB SER 73 -1.787 9.070 7.079 547 HB3 SER 73 2HB SER 73 -0.344 10.038 7.384 548 HG SER 73 HG SER 73 -1.882 9.975 9.145 549 H LYS 74 H LYS 74 0.772 11.135 5.806 550 HA LYS 74 HA LYS 74 1.572 13.402 6.953 551 HB2 LYS 74 1HB LYS 74 3.374 13.559 5.402 552 HB3 LYS 74 2HB LYS 74 2.977 11.852 5.547 553 HG2 LYS 74 1HG LYS 74 1.576 12.143 3.457 554 HG3 LYS 74 2HG LYS 74 2.355 13.717 3.279 555 HD2 LYS 74 1HD LYS 74 4.038 11.284 3.686 556 HD3 LYS 74 2HD LYS 74 3.346 11.603 2.093 557 HE2 LYS 74 1HE LYS 74 4.419 13.767 2.021 558 HE3 LYS 74 2HE LYS 74 5.019 13.560 3.666 559 HZ1 LYS 74 1HZ LYS 74 5.984 12.396 1.176 560 HZ2 LYS 74 2HZ LYS 74 6.034 11.398 2.541 561 HZ3 LYS 74 3HZ LYS 74 6.845 12.883 2.549 562 H THR 75 H THR 75 -0.210 13.249 3.921 563 HA THR 75 HA THR 75 -0.403 16.190 3.941 564 HB THR 75 HB THR 75 0.440 15.883 1.854 565 HG1 THR 75 1HG THR 75 -1.892 16.509 1.705 566 HG21 THR 75 1HG2 THR 75 -0.949 13.215 1.597 567 HG22 THR 75 2HG2 THR 75 0.694 13.422 2.203 568 HG23 THR 75 3HG2 THR 75 0.303 13.873 0.544 569 H GLY 76 H GLY 76 -2.228 13.200 3.354 570 HA2 GLY 76 1HA GLY 76 -4.413 12.961 4.385 571 HA3 GLY 76 2HA GLY 76 -4.670 14.676 4.105 572 H HIS 77 H HIS 77 -3.344 12.366 1.794 573 HA HIS 77 HA HIS 77 -5.459 13.090 -0.075 574 HB2 HIS 77 1HB HIS 77 -2.742 11.900 -0.298 575 HB3 HIS 77 2HB HIS 77 -3.918 11.455 -1.531 576 HD1 HIS 77 1HD HIS 77 -2.784 14.725 0.075 577 HD2 HIS 77 2HD HIS 77 -3.769 13.130 -3.633 578 HE1 HIS 77 1HE HIS 77 -2.457 16.598 -1.571 579 HE2 HIS 77 2HE HIS 77 -3.141 15.634 -3.795 580 HA PRO 78 HA PRO 78 -7.781 9.388 0.333 581 HB2 PRO 78 1HB PRO 78 -8.684 9.060 -2.206 582 HB3 PRO 78 2HB PRO 78 -9.291 10.320 -1.126 583 HG2 PRO 78 1HG PRO 78 -7.256 10.519 -3.312 584 HG3 PRO 78 2HG PRO 78 -8.583 11.626 -2.914 585 HD2 PRO 78 1HD PRO 78 -6.019 12.101 -2.183 586 HD3 PRO 78 2HD PRO 78 -7.404 12.624 -1.203 587 H LEU 79 H LEU 79 -7.673 7.175 0.029 588 HA LEU 79 HA LEU 79 -5.632 6.165 -1.827 589 HB2 LEU 79 1HB LEU 79 -4.752 6.336 0.507 590 HB3 LEU 79 2HB LEU 79 -5.988 5.179 0.997 591 HG LEU 79 HG LEU 79 -4.918 3.609 -0.733 592 HD11 LEU 79 1HD1 LEU 79 -3.562 5.340 -1.836 593 HD12 LEU 79 2HD1 LEU 79 -2.584 4.007 -1.223 594 HD13 LEU 79 3HD1 LEU 79 -2.633 5.537 -0.349 595 HD21 LEU 79 1HD2 LEU 79 -3.103 4.224 1.563 596 HD22 LEU 79 2HD2 LEU 79 -3.599 2.660 0.917 597 HD23 LEU 79 3HD2 LEU 79 -4.739 3.631 1.851 598 H GLN 80 H GLN 80 -6.168 4.338 -2.899 599 HA GLN 80 HA GLN 80 -8.812 3.199 -2.319 600 HB2 GLN 80 1HB GLN 80 -7.148 3.160 -4.840 601 HB3 GLN 80 2HB GLN 80 -8.678 2.314 -4.653 602 HG2 GLN 80 1HG GLN 80 -8.456 5.268 -4.211 603 HG3 GLN 80 2HG GLN 80 -8.692 4.583 -5.818 604 HE21 GLN 80 1HE2 GLN 80 -10.402 6.265 -4.031 605 HE22 GLN 80 2HE2 GLN 80 -11.908 5.423 -3.946 606 HA PRO 81 HA PRO 81 -6.771 -0.444 -0.832 607 HB2 PRO 81 1HB PRO 81 -8.993 -1.990 -0.624 608 HB3 PRO 81 2HB PRO 81 -8.599 -0.713 0.534 609 HG2 PRO 81 1HG PRO 81 -10.499 -0.653 -1.778 610 HG3 PRO 81 2HG PRO 81 -10.712 -0.012 -0.138 611 HD2 PRO 81 1HD PRO 81 -10.056 1.560 -2.243 612 HD3 PRO 81 2HD PRO 81 -9.499 1.895 -0.590 613 HA PRO 82 HA PRO 82 -6.134 -2.983 -4.374 614 HB2 PRO 82 1HB PRO 82 -5.417 -5.313 -3.178 615 HB3 PRO 82 2HB PRO 82 -4.360 -3.897 -3.234 616 HG2 PRO 82 1HG PRO 82 -6.116 -4.862 -1.011 617 HG3 PRO 82 2HG PRO 82 -4.458 -4.238 -0.936 618 HD2 PRO 82 1HD PRO 82 -6.614 -2.724 -0.312 619 HD3 PRO 82 2HD PRO 82 -5.147 -2.041 -1.041 620 H LEU 83 H LEU 83 -6.637 -5.390 -5.068 621 HA LEU 83 HA LEU 83 -9.431 -5.609 -5.293 622 HB2 LEU 83 1HB LEU 83 -7.125 -7.383 -5.965 623 HB3 LEU 83 2HB LEU 83 -8.768 -8.013 -6.072 624 HG LEU 83 HG LEU 83 -9.227 -6.004 -7.605 625 HD11 LEU 83 1HD1 LEU 83 -6.214 -6.050 -7.678 626 HD12 LEU 83 2HD1 LEU 83 -7.234 -4.726 -7.118 627 HD13 LEU 83 3HD1 LEU 83 -7.247 -5.189 -8.819 628 HD21 LEU 83 1HD2 LEU 83 -7.640 -7.386 -9.382 629 HD22 LEU 83 2HD2 LEU 83 -9.300 -7.788 -8.942 630 HD23 LEU 83 3HD2 LEU 83 -7.953 -8.569 -8.112 631 H SER 84 H SER 84 -10.719 -7.539 -4.669 632 HA SER 84 HA SER 84 -10.684 -7.886 -1.868 633 HB2 SER 84 1HB SER 84 -12.262 -9.034 -4.130 634 HB3 SER 84 2HB SER 84 -12.346 -9.834 -2.561 635 HG SER 84 HG SER 84 -12.755 -7.554 -1.785 636 HA PRO 85 HA PRO 85 -8.068 -11.342 -1.196 637 HB2 PRO 85 1HB PRO 85 -9.396 -12.683 0.755 638 HB3 PRO 85 2HB PRO 85 -8.564 -11.150 1.039 639 HG2 PRO 85 1HG PRO 85 -11.475 -11.666 0.572 640 HG3 PRO 85 2HG PRO 85 -10.705 -10.585 1.748 641 HD2 PRO 85 1HD PRO 85 -11.766 -9.689 -0.576 642 HD3 PRO 85 2HD PRO 85 -10.355 -8.928 0.186 643 H LEU 86 H LEU 86 -10.966 -11.654 -2.739 644 HA LEU 86 HA LEU 86 -11.077 -14.552 -2.782 645 HB2 LEU 86 1HB LEU 86 -13.025 -14.301 -4.139 646 HB3 LEU 86 2HB LEU 86 -13.124 -13.158 -2.801 647 HG LEU 86 HG LEU 86 -12.087 -11.529 -4.637 648 HD11 LEU 86 1HD1 LEU 86 -11.880 -12.876 -6.501 649 HD12 LEU 86 2HD1 LEU 86 -13.443 -12.107 -6.771 650 HD13 LEU 86 3HD1 LEU 86 -13.368 -13.759 -6.159 651 HD21 LEU 86 1HD2 LEU 86 -14.964 -11.922 -5.057 652 HD22 LEU 86 2HD2 LEU 86 -14.078 -10.500 -4.508 653 HD23 LEU 86 3HD2 LEU 86 -14.474 -11.787 -3.368 654 H GLU 87 H GLU 87 -9.875 -11.936 -4.742 655 HA GLU 87 HA GLU 87 -9.556 -13.414 -7.150 656 HB2 GLU 87 1HB GLU 87 -8.331 -10.856 -6.132 657 HB3 GLU 87 2HB GLU 87 -7.917 -11.535 -7.700 658 HG2 GLU 87 1HG GLU 87 -10.778 -11.070 -7.002 659 HG3 GLU 87 2HG GLU 87 -9.763 -9.719 -7.504 660 H LEU 88 H LEU 88 -7.430 -12.690 -4.420 661 HA LEU 88 HA LEU 88 -5.165 -14.021 -5.574 662 HB2 LEU 88 1HB LEU 88 -5.571 -13.322 -2.677 663 HB3 LEU 88 2HB LEU 88 -4.046 -13.563 -3.528 664 HG LEU 88 HG LEU 88 -4.876 -11.490 -4.923 665 HD11 LEU 88 1HD1 LEU 88 -5.920 -10.034 -2.877 666 HD12 LEU 88 2HD1 LEU 88 -6.708 -11.594 -2.640 667 HD13 LEU 88 3HD1 LEU 88 -6.859 -10.756 -4.184 668 HD21 LEU 88 1HD2 LEU 88 -3.573 -10.073 -3.503 669 HD22 LEU 88 2HD2 LEU 88 -2.845 -11.679 -3.490 670 HD23 LEU 88 3HD2 LEU 88 -3.821 -11.141 -2.122 671 H MET 89 H MET 89 -7.235 -14.744 -2.756 672 HA MET 89 HA MET 89 -7.458 -16.704 -1.566 673 HB2 MET 89 1HB MET 89 -8.076 -17.400 -4.428 674 HB3 MET 89 2HB MET 89 -8.291 -18.568 -3.131 675 HG2 MET 89 1HG MET 89 -9.569 -15.854 -3.083 676 HG3 MET 89 2HG MET 89 -10.329 -17.251 -3.843 677 HE1 MET 89 1HE MET 89 -12.430 -17.604 -2.489 678 HE2 MET 89 2HE MET 89 -12.549 -17.318 -0.753 679 HE3 MET 89 3HE MET 89 -12.127 -15.992 -1.839 680 H GLU 90 H GLU 90 -4.757 -16.231 -1.980 681 HA GLU 90 HA GLU 90 -3.390 -18.419 -3.146 682 HB2 GLU 90 1HB GLU 90 -2.465 -16.105 -2.573 683 HB3 GLU 90 2HB GLU 90 -2.314 -16.694 -0.923 684 HG2 GLU 90 1HG GLU 90 -0.919 -18.575 -1.842 685 HG3 GLU 90 2HG GLU 90 -0.913 -17.709 -3.377 686 H ALA 91 H ALA 91 -4.283 -17.667 0.206 687 HA ALA 91 HA ALA 91 -3.090 -19.649 1.616 688 HB1 ALA 91 1HB ALA 91 -5.995 -18.997 2.031 689 HB2 ALA 91 2HB ALA 91 -4.794 -19.460 3.236 690 HB3 ALA 91 3HB ALA 91 -4.697 -17.881 2.457 691 H SER 92 H SER 92 -3.716 -21.765 2.321 692 HA SER 92 HA SER 92 -5.157 -23.251 0.232 693 HB2 SER 92 1HB SER 92 -3.926 -25.241 1.109 694 HB3 SER 92 2HB SER 92 -2.862 -23.981 0.485 695 HG SER 92 HG SER 92 -2.889 -25.056 2.913 696 H GLU 93 H GLU 93 -6.142 -25.369 1.137 697 HA GLU 93 HA GLU 93 -7.656 -26.424 2.477 698 HB2 GLU 93 1HB GLU 93 -5.937 -25.563 4.279 699 HB3 GLU 93 2HB GLU 93 -7.243 -24.462 4.694 700 HG2 GLU 93 1HG GLU 93 -7.630 -27.433 4.534 701 HG3 GLU 93 2HG GLU 93 -7.104 -26.617 6.006 702 H HIS 94 H HIS 94 -8.510 -24.499 0.671 703 HA HIS 94 HA HIS 94 -10.126 -22.458 1.510 704 HB2 HIS 94 1HB HIS 94 -10.542 -24.417 -0.749 705 HB3 HIS 94 2HB HIS 94 -11.550 -22.992 -0.517 706 HD1 HIS 94 1HD HIS 94 -10.823 -21.734 -2.586 707 HD2 HIS 94 2HD HIS 94 -7.637 -22.873 -0.176 708 HE1 HIS 94 1HE HIS 94 -8.814 -20.544 -3.521 709 HE2 HIS 94 2HE HIS 94 -6.884 -21.315 -2.099 710 H GLY 95 H GLY 95 -11.270 -25.791 0.912 711 HA2 GLY 95 1HA GLY 95 -13.840 -25.673 1.709 712 HA3 GLY 95 2HA GLY 95 -12.809 -27.037 2.116 713 H GLY 96 H GLY 96 -15.035 -25.877 3.623 714 HA2 GLY 96 1HA GLY 96 -14.282 -26.199 6.192 715 HA3 GLY 96 2HA GLY 96 -13.828 -24.529 5.884 716 H CYS 97 H CYS 97 -15.445 -22.979 5.506 717 HA CYS 97 HA CYS 97 -18.011 -23.694 6.687 718 HB2 CYS 97 1HB CYS 97 -16.588 -21.639 7.336 719 HB3 CYS 97 2HB CYS 97 -17.189 -20.925 5.845 720 HG CYS 97 HG CYS 97 -18.693 -21.263 8.785 721 H SER 98 H SER 98 -19.005 -24.817 5.002 722 HA SER 98 HA SER 98 -19.154 -24.149 2.341 723 HB2 SER 98 1HB SER 98 -21.031 -25.569 4.194 724 HB3 SER 98 2HB SER 98 -21.550 -25.217 2.546 725 HG SER 98 HG SER 98 -20.534 -27.033 2.165 726 H THR 99 H THR 99 -20.256 -22.722 1.111 727 HA THR 99 HA THR 99 -22.247 -20.999 2.416 728 HB THR 99 HB THR 99 -21.297 -19.071 1.063 729 HG1 THR 99 1HG THR 99 -19.797 -19.749 -0.289 730 HG21 THR 99 1HG2 THR 99 -20.148 -18.375 2.887 731 HG22 THR 99 2HG2 THR 99 -19.160 -19.835 2.952 732 HG23 THR 99 3HG2 THR 99 -20.801 -19.851 3.598 733 HA PRO 100 HA PRO 100 -24.634 -21.919 -1.178 734 HB2 PRO 100 1HB PRO 100 -26.463 -19.925 -0.957 735 HB3 PRO 100 2HB PRO 100 -26.466 -21.351 0.087 736 HG2 PRO 100 1HG PRO 100 -25.402 -18.607 0.633 737 HG3 PRO 100 2HG PRO 100 -26.342 -19.674 1.693 738 HD2 PRO 100 1HD PRO 100 -23.656 -19.404 1.907 739 HD3 PRO 100 2HD PRO 100 -24.496 -20.923 2.281 740 H GLY 101 H GLY 101 -23.546 -21.530 -3.042 741 HA2 GLY 101 1HA GLY 101 -22.657 -18.903 -3.792 742 HA3 GLY 101 2HA GLY 101 -22.565 -20.357 -4.776 743 H SER 102 H SER 102 -23.134 -18.580 -6.390 744 HA SER 102 HA SER 102 -25.888 -18.900 -7.096 745 HB2 SER 102 1HB SER 102 -26.379 -16.434 -7.173 746 HB3 SER 102 2HB SER 102 -26.246 -17.096 -5.545 747 HG SER 102 HG SER 102 -24.993 -15.338 -5.456 748 H GLY 103 H GLY 103 -26.363 -17.383 -9.088 749 HA2 GLY 103 1HA GLY 103 -24.656 -18.134 -11.149 750 HA3 GLY 103 2HA GLY 103 -25.836 -16.836 -11.254 751 HA PRO 104 HA PRO 104 -21.247 -15.362 -10.971 752 HB2 PRO 104 1HB PRO 104 -20.455 -15.499 -13.563 753 HB3 PRO 104 2HB PRO 104 -20.189 -16.809 -12.407 754 HG2 PRO 104 1HG PRO 104 -22.327 -16.520 -14.483 755 HG3 PRO 104 2HG PRO 104 -21.375 -17.952 -14.048 756 HD2 PRO 104 1HD PRO 104 -23.909 -17.566 -13.174 757 HD3 PRO 104 2HD PRO 104 -22.687 -18.421 -12.212 758 H SER 105 H SER 105 -20.334 -13.462 -12.285 759 HA SER 105 HA SER 105 -22.479 -11.563 -12.654 760 HB2 SER 105 1HB SER 105 -19.470 -11.281 -12.764 761 HB3 SER 105 2HB SER 105 -20.587 -9.936 -12.994 762 HG SER 105 HG SER 105 -19.709 -10.386 -10.780 763 H SER 106 H SER 106 -22.247 -9.972 -14.538 764 HA SER 106 HA SER 106 -22.614 -11.415 -16.951 765 HB2 SER 106 1HB SER 106 -22.937 -9.224 -17.989 766 HB3 SER 106 2HB SER 106 -23.794 -9.300 -16.449 767 HG SER 106 HG SER 106 -21.422 -8.408 -15.863 768 H GLY 107 H GLY 107 -21.426 -11.171 -18.940 769 HA2 GLY 107 1HA GLY 107 -19.319 -10.121 -19.882 770 HA3 GLY 107 2HA GLY 107 -18.542 -10.775 -18.447 Start of MODEL 7 1 H1 GLY 1 H GLY 1 18.205 -18.542 1.984 2 HA2 GLY 1 1HA GLY 1 19.914 -18.250 3.789 3 HA3 GLY 1 2HA GLY 1 20.604 -17.001 2.763 4 H SER 2 H SER 2 19.017 -17.316 5.500 5 HA SER 2 HA SER 2 16.719 -15.782 5.407 6 HB2 SER 2 1HB SER 2 18.809 -16.113 7.555 7 HB3 SER 2 2HB SER 2 17.365 -15.132 7.806 8 HG SER 2 HG SER 2 17.476 -17.609 8.271 9 H SER 3 H SER 3 16.245 -13.631 5.426 10 HA SER 3 HA SER 3 18.517 -11.779 5.112 11 HB2 SER 3 1HB SER 3 17.086 -10.445 3.603 12 HB3 SER 3 2HB SER 3 17.339 -12.077 2.987 13 HG SER 3 HG SER 3 15.182 -11.684 2.804 14 H GLY 4 H GLY 4 18.613 -10.132 6.500 15 HA2 GLY 4 1HA GLY 4 16.378 -8.734 7.508 16 HA3 GLY 4 2HA GLY 4 16.905 -9.911 8.702 17 H SER 5 H SER 5 17.682 -8.528 10.230 18 HA SER 5 HA SER 5 19.021 -6.179 9.978 19 HB2 SER 5 1HB SER 5 19.629 -8.367 11.981 20 HB3 SER 5 2HB SER 5 20.110 -6.678 12.145 21 HG SER 5 HG SER 5 17.801 -7.805 12.822 22 H SER 6 H SER 6 20.517 -5.851 8.430 23 HA SER 6 HA SER 6 23.064 -7.246 8.721 24 HB2 SER 6 1HB SER 6 21.534 -8.300 6.885 25 HB3 SER 6 2HB SER 6 21.973 -6.871 5.949 26 HG SER 6 HG SER 6 24.235 -7.599 6.727 27 H GLY 7 H GLY 7 24.630 -5.786 8.831 28 HA2 GLY 7 1HA GLY 7 24.415 -3.086 8.702 29 HA3 GLY 7 2HA GLY 7 25.905 -3.931 8.311 30 H VAL 8 H VAL 8 25.223 -5.185 5.952 31 HA VAL 8 HA VAL 8 25.846 -3.470 3.981 32 HB VAL 8 HB VAL 8 25.614 -5.840 3.544 33 HG11 VAL 8 1HG1 VAL 8 23.405 -6.871 3.225 34 HG12 VAL 8 2HG1 VAL 8 23.639 -6.300 4.878 35 HG13 VAL 8 3HG1 VAL 8 22.641 -5.374 3.757 36 HG21 VAL 8 1HG2 VAL 8 24.426 -5.736 1.355 37 HG22 VAL 8 2HG2 VAL 8 23.865 -4.121 1.789 38 HG23 VAL 8 3HG2 VAL 8 25.590 -4.434 1.601 39 H LYS 9 H LYS 9 24.856 -2.042 2.596 40 HA LYS 9 HA LYS 9 22.155 -1.177 3.386 41 HB2 LYS 9 1HB LYS 9 22.722 1.030 2.691 42 HB3 LYS 9 2HB LYS 9 24.059 0.448 3.674 43 HG2 LYS 9 1HG LYS 9 25.153 -0.214 1.455 44 HG3 LYS 9 2HG LYS 9 23.940 0.827 0.706 45 HD2 LYS 9 1HD LYS 9 25.671 1.804 2.957 46 HD3 LYS 9 2HD LYS 9 26.224 1.853 1.281 47 HE2 LYS 9 1HE LYS 9 24.716 3.464 0.688 48 HE3 LYS 9 2HE LYS 9 23.535 2.958 1.894 49 HZ1 LYS 9 1HZ LYS 9 24.233 4.753 2.998 50 HZ2 LYS 9 2HZ LYS 9 25.661 4.891 2.103 51 HZ3 LYS 9 3HZ LYS 9 25.585 3.823 3.413 52 HA PRO 10 HA PRO 10 20.575 -2.277 -0.565 53 HB2 PRO 10 1HB PRO 10 18.554 -0.478 -0.787 54 HB3 PRO 10 2HB PRO 10 18.489 -1.865 0.306 55 HG2 PRO 10 1HG PRO 10 19.160 0.990 0.906 56 HG3 PRO 10 2HG PRO 10 18.143 -0.137 1.823 57 HD2 PRO 10 1HD PRO 10 20.700 0.417 2.521 58 HD3 PRO 10 2HD PRO 10 19.955 -1.169 2.805 59 HA PRO 11 HA PRO 11 22.261 0.324 -3.686 60 HB2 PRO 11 1HB PRO 11 20.590 -0.176 -5.767 61 HB3 PRO 11 2HB PRO 11 21.777 -1.349 -5.184 62 HG2 PRO 11 1HG PRO 11 18.842 -1.185 -4.620 63 HG3 PRO 11 2HG PRO 11 19.832 -2.609 -4.988 64 HD2 PRO 11 1HD PRO 11 19.088 -1.964 -2.465 65 HD3 PRO 11 2HD PRO 11 20.628 -2.769 -2.831 66 H HIS 12 H HIS 12 18.732 0.532 -3.337 67 HA HIS 12 HA HIS 12 18.930 3.418 -3.900 68 HB2 HIS 12 1HB HIS 12 16.362 2.971 -4.496 69 HB3 HIS 12 2HB HIS 12 17.647 2.814 -5.691 70 HD1 HIS 12 1HD HIS 12 15.971 0.508 -3.157 71 HD2 HIS 12 2HD HIS 12 17.447 0.492 -7.041 72 HE1 HIS 12 1HE HIS 12 15.506 -1.799 -4.044 73 HE2 HIS 12 2HE HIS 12 16.484 -1.812 -6.365 74 H GLY 13 H GLY 13 17.391 0.879 -2.010 75 HA2 GLY 13 1HA GLY 13 17.192 1.499 0.409 76 HA3 GLY 13 2HA GLY 13 16.400 2.961 -0.161 77 H PHE 14 H PHE 14 15.907 -0.241 -1.521 78 HA PHE 14 HA PHE 14 13.209 -0.276 -0.344 79 HB2 PHE 14 1HB PHE 14 14.020 -0.758 -3.205 80 HB3 PHE 14 2HB PHE 14 12.503 -1.371 -2.555 81 HD1 PHE 14 1HD PHE 14 14.389 1.851 -2.422 82 HD2 PHE 14 2HD PHE 14 10.676 -0.115 -3.103 83 HE1 PHE 14 1HE PHE 14 13.325 4.024 -2.870 84 HE2 PHE 14 2HE PHE 14 9.606 2.055 -3.553 85 HZ PHE 14 HZ PHE 14 10.930 4.128 -3.438 86 H GLN 15 H GLN 15 12.343 -2.301 0.135 87 HA GLN 15 HA GLN 15 14.262 -4.533 0.015 88 HB2 GLN 15 1HB GLN 15 12.196 -3.974 2.150 89 HB3 GLN 15 2HB GLN 15 13.284 -5.355 2.113 90 HG2 GLN 15 1HG GLN 15 15.113 -4.111 2.698 91 HG3 GLN 15 2HG GLN 15 14.442 -2.617 2.046 92 HE21 GLN 15 1HE2 GLN 15 15.614 -2.634 4.503 93 HE22 GLN 15 2HE2 GLN 15 14.417 -2.415 5.730 94 H LYS 16 H LYS 16 13.331 -6.681 -0.092 95 HA LYS 16 HA LYS 16 11.047 -6.739 -1.874 96 HB2 LYS 16 1HB LYS 16 13.139 -8.693 -1.023 97 HB3 LYS 16 2HB LYS 16 11.632 -9.311 -1.687 98 HG2 LYS 16 1HG LYS 16 12.055 -8.497 -3.778 99 HG3 LYS 16 2HG LYS 16 13.062 -7.176 -3.181 100 HD2 LYS 16 1HD LYS 16 14.936 -8.489 -3.038 101 HD3 LYS 16 2HD LYS 16 14.010 -9.971 -2.786 102 HE2 LYS 16 1HE LYS 16 13.411 -10.069 -5.098 103 HE3 LYS 16 2HE LYS 16 14.086 -8.468 -5.396 104 HZ1 LYS 16 1HZ LYS 16 16.261 -9.557 -4.568 105 HZ2 LYS 16 2HZ LYS 16 15.741 -9.854 -6.150 106 HZ3 LYS 16 3HZ LYS 16 15.490 -11.015 -4.945 107 H LYS 17 H LYS 17 9.139 -7.902 -1.520 108 HA LYS 17 HA LYS 17 7.401 -8.790 -0.344 109 HB2 LYS 17 1HB LYS 17 9.332 -9.347 1.905 110 HB3 LYS 17 2HB LYS 17 7.811 -10.161 1.563 111 HG2 LYS 17 1HG LYS 17 8.811 -11.023 -0.541 112 HG3 LYS 17 2HG LYS 17 10.351 -10.318 -0.043 113 HD2 LYS 17 1HD LYS 17 10.335 -12.649 0.552 114 HD3 LYS 17 2HD LYS 17 10.248 -11.685 2.028 115 HE2 LYS 17 1HE LYS 17 7.909 -12.104 2.248 116 HE3 LYS 17 2HE LYS 17 7.832 -12.840 0.648 117 HZ1 LYS 17 1HZ LYS 17 7.953 -14.700 1.913 118 HZ2 LYS 17 2HZ LYS 17 8.819 -13.955 3.160 119 HZ3 LYS 17 3HZ LYS 17 9.613 -14.423 1.742 120 H MET 18 H MET 18 8.336 -5.985 -0.082 121 HA MET 18 HA MET 18 7.202 -5.342 2.558 122 HB2 MET 18 1HB MET 18 8.493 -3.417 2.636 123 HB3 MET 18 2HB MET 18 9.571 -4.548 1.829 124 HG2 MET 18 1HG MET 18 9.105 -3.585 -0.301 125 HG3 MET 18 2HG MET 18 7.822 -2.584 0.375 126 HE1 MET 18 1HE MET 18 9.773 0.338 -0.291 127 HE2 MET 18 2HE MET 18 10.575 -0.895 -1.263 128 HE3 MET 18 3HE MET 18 8.825 -0.945 -1.043 129 H LYS 19 H LYS 19 6.139 -3.049 2.497 130 HA LYS 19 HA LYS 19 4.293 -3.005 0.200 131 HB2 LYS 19 1HB LYS 19 3.829 -2.311 3.100 132 HB3 LYS 19 2HB LYS 19 2.695 -1.897 1.822 133 HG2 LYS 19 1HG LYS 19 3.582 -4.691 2.508 134 HG3 LYS 19 2HG LYS 19 2.069 -3.943 3.025 135 HD2 LYS 19 1HD LYS 19 1.822 -3.520 0.420 136 HD3 LYS 19 2HD LYS 19 2.894 -4.920 0.340 137 HE2 LYS 19 1HE LYS 19 0.424 -5.423 0.272 138 HE3 LYS 19 2HE LYS 19 1.348 -6.285 1.502 139 HZ1 LYS 19 1HZ LYS 19 -0.019 -3.753 2.149 140 HZ2 LYS 19 2HZ LYS 19 0.457 -4.998 3.189 141 HZ3 LYS 19 3HZ LYS 19 -0.869 -5.216 2.161 142 H LEU 20 H LEU 20 3.654 -1.000 -0.644 143 HA LEU 20 HA LEU 20 4.659 1.468 0.397 144 HB2 LEU 20 1HB LEU 20 6.374 1.945 -1.009 145 HB3 LEU 20 2HB LEU 20 6.564 0.195 -0.916 146 HG LEU 20 HG LEU 20 4.986 0.314 -3.062 147 HD11 LEU 20 1HD1 LEU 20 6.230 2.350 -4.318 148 HD12 LEU 20 2HD1 LEU 20 6.046 3.035 -2.704 149 HD13 LEU 20 3HD1 LEU 20 4.629 2.471 -3.589 150 HD21 LEU 20 1HD2 LEU 20 7.881 0.266 -2.614 151 HD22 LEU 20 2HD2 LEU 20 7.404 0.737 -4.245 152 HD23 LEU 20 3HD2 LEU 20 6.861 -0.803 -3.577 153 H GLU 21 H GLU 21 3.610 3.224 -0.460 154 HA GLU 21 HA GLU 21 1.289 2.648 -2.073 155 HB2 GLU 21 1HB GLU 21 2.321 5.158 -0.759 156 HB3 GLU 21 2HB GLU 21 0.886 5.145 -1.774 157 HG2 GLU 21 1HG GLU 21 -0.029 3.363 -0.236 158 HG3 GLU 21 2HG GLU 21 1.316 3.736 0.841 159 H VAL 22 H VAL 22 1.392 2.566 -4.210 160 HA VAL 22 HA VAL 22 3.346 4.267 -5.607 161 HB VAL 22 HB VAL 22 1.967 1.773 -6.609 162 HG11 VAL 22 1HG1 VAL 22 3.404 1.921 -8.525 163 HG12 VAL 22 2HG1 VAL 22 2.543 3.452 -8.352 164 HG13 VAL 22 3HG1 VAL 22 4.230 3.326 -7.853 165 HG21 VAL 22 1HG2 VAL 22 4.822 2.191 -5.728 166 HG22 VAL 22 2HG2 VAL 22 3.589 1.302 -4.834 167 HG23 VAL 22 3HG2 VAL 22 4.149 0.704 -6.395 168 H VAL 23 H VAL 23 2.713 5.633 -7.220 169 HA VAL 23 HA VAL 23 -0.108 6.297 -7.311 170 HB VAL 23 HB VAL 23 2.256 7.607 -8.663 171 HG11 VAL 23 1HG1 VAL 23 -0.375 8.950 -8.272 172 HG12 VAL 23 2HG1 VAL 23 0.873 9.244 -9.484 173 HG13 VAL 23 3HG1 VAL 23 -0.177 7.833 -9.622 174 HG21 VAL 23 1HG2 VAL 23 0.739 8.897 -6.465 175 HG22 VAL 23 2HG2 VAL 23 1.840 7.589 -6.036 176 HG23 VAL 23 3HG2 VAL 23 2.449 9.012 -6.881 177 H ASP 24 H ASP 24 -1.420 5.319 -8.693 178 HA ASP 24 HA ASP 24 -0.699 3.651 -10.777 179 HB2 ASP 24 1HB ASP 24 -3.017 4.107 -9.626 180 HB3 ASP 24 2HB ASP 24 -3.236 5.231 -10.965 181 H LYS 25 H LYS 25 0.545 4.183 -12.448 182 HA LYS 25 HA LYS 25 1.162 6.604 -13.490 183 HB2 LYS 25 1HB LYS 25 0.705 4.457 -15.495 184 HB3 LYS 25 2HB LYS 25 2.103 5.498 -15.263 185 HG2 LYS 25 1HG LYS 25 1.356 3.046 -13.694 186 HG3 LYS 25 2HG LYS 25 2.767 3.288 -14.727 187 HD2 LYS 25 1HD LYS 25 2.331 5.101 -12.395 188 HD3 LYS 25 2HD LYS 25 2.977 3.481 -12.123 189 HE2 LYS 25 1HE LYS 25 4.162 5.353 -14.153 190 HE3 LYS 25 2HE LYS 25 4.652 5.381 -12.460 191 HZ1 LYS 25 1HZ LYS 25 4.813 3.024 -14.260 192 HZ2 LYS 25 2HZ LYS 25 5.299 3.064 -12.641 193 HZ3 LYS 25 3HZ LYS 25 6.118 3.994 -13.792 194 H ARG 26 H ARG 26 -1.404 4.523 -14.844 195 HA ARG 26 HA ARG 26 -2.413 6.428 -16.632 196 HB2 ARG 26 1HB ARG 26 -4.505 5.004 -16.562 197 HB3 ARG 26 2HB ARG 26 -3.018 4.160 -16.972 198 HG2 ARG 26 1HG ARG 26 -3.052 3.816 -14.296 199 HG3 ARG 26 2HG ARG 26 -4.782 3.866 -14.642 200 HD2 ARG 26 1HD ARG 26 -3.985 1.583 -14.740 201 HD3 ARG 26 2HD ARG 26 -4.468 2.121 -16.348 202 HE ARG 26 HE ARG 26 -1.681 2.511 -15.871 203 HH11 ARG 26 2HH1 ARG 26 -4.079 0.146 -16.752 204 HH12 ARG 26 1HH1 ARG 26 -2.961 -0.857 -17.615 205 HH21 ARG 26 2HH2 ARG 26 -0.199 1.198 -17.005 206 HH22 ARG 26 1HH2 ARG 26 -0.754 -0.258 -17.758 207 H ASN 27 H ASN 27 -3.033 5.874 -13.236 208 HA ASN 27 HA ASN 27 -4.803 8.227 -13.234 209 HB2 ASN 27 1HB ASN 27 -5.077 5.926 -11.302 210 HB3 ASN 27 2HB ASN 27 -6.211 7.243 -11.589 211 HD21 ASN 27 1HD2 ASN 27 -7.133 4.720 -11.634 212 HD22 ASN 27 2HD2 ASN 27 -7.521 4.241 -13.249 213 HA PRO 28 HA PRO 28 -1.260 9.270 -10.549 214 HB2 PRO 28 1HB PRO 28 -1.452 11.942 -10.991 215 HB3 PRO 28 2HB PRO 28 -0.610 10.844 -12.091 216 HG2 PRO 28 1HG PRO 28 -3.373 11.977 -12.294 217 HG3 PRO 28 2HG PRO 28 -2.145 11.790 -13.559 218 HD2 PRO 28 1HD PRO 28 -4.216 10.069 -13.273 219 HD3 PRO 28 2HD PRO 28 -2.624 9.557 -13.870 220 H MET 29 H MET 29 -4.589 10.211 -10.592 221 HA MET 29 HA MET 29 -4.411 11.512 -7.987 222 HB2 MET 29 1HB MET 29 -6.590 11.215 -10.033 223 HB3 MET 29 2HB MET 29 -6.963 11.725 -8.392 224 HG2 MET 29 1HG MET 29 -5.803 13.720 -8.611 225 HG3 MET 29 2HG MET 29 -4.865 13.136 -9.984 226 HE1 MET 29 1HE MET 29 -5.320 13.350 -12.215 227 HE2 MET 29 2HE MET 29 -6.615 14.295 -12.951 228 HE3 MET 29 3HE MET 29 -5.421 15.086 -11.920 229 H PHE 30 H PHE 30 -4.164 8.499 -8.695 230 HA PHE 30 HA PHE 30 -5.877 7.603 -6.487 231 HB2 PHE 30 1HB PHE 30 -5.714 6.453 -9.252 232 HB3 PHE 30 2HB PHE 30 -6.078 5.405 -7.885 233 HD1 PHE 30 2HD PHE 30 -7.197 8.518 -9.576 234 HD2 PHE 30 1HD PHE 30 -8.252 5.219 -7.101 235 HE1 PHE 30 2HE PHE 30 -9.562 9.184 -9.703 236 HE2 PHE 30 1HE PHE 30 -10.619 5.880 -7.225 237 HZ PHE 30 HZ PHE 30 -11.277 7.865 -8.526 238 H ILE 31 H ILE 31 -4.683 6.695 -4.960 239 HA ILE 31 HA ILE 31 -2.196 5.322 -5.747 240 HB ILE 31 HB ILE 31 -2.684 6.864 -3.196 241 HG12 ILE 31 1HG1 ILE 31 -0.671 7.541 -5.326 242 HG13 ILE 31 2HG1 ILE 31 -2.326 8.133 -5.423 243 HG21 ILE 31 1HG2 ILE 31 -0.171 5.529 -4.191 244 HG22 ILE 31 2HG2 ILE 31 -0.365 6.414 -2.679 245 HG23 ILE 31 3HG2 ILE 31 -1.225 4.895 -2.927 246 HD11 ILE 31 1HD1 ILE 31 -0.905 9.805 -4.438 247 HD12 ILE 31 2HD1 ILE 31 -2.037 9.203 -3.227 248 HD13 ILE 31 3HD1 ILE 31 -0.359 8.663 -3.210 249 H ARG 32 H ARG 32 -1.779 3.350 -4.865 250 HA ARG 32 HA ARG 32 -3.587 2.334 -2.793 251 HB2 ARG 32 1HB ARG 32 -2.923 0.787 -5.303 252 HB3 ARG 32 2HB ARG 32 -3.985 0.277 -3.997 253 HG2 ARG 32 1HG ARG 32 -5.705 1.599 -4.687 254 HG3 ARG 32 2HG ARG 32 -4.635 2.807 -5.401 255 HD2 ARG 32 1HD ARG 32 -4.061 0.903 -7.083 256 HD3 ARG 32 2HD ARG 32 -5.583 0.206 -6.530 257 HE ARG 32 HE ARG 32 -5.268 2.397 -8.304 258 HH11 ARG 32 2HH1 ARG 32 -7.285 1.190 -5.737 259 HH12 ARG 32 1HH1 ARG 32 -8.699 2.034 -6.275 260 HH21 ARG 32 2HH2 ARG 32 -7.123 3.513 -9.023 261 HH22 ARG 32 1HH2 ARG 32 -8.606 3.354 -8.145 262 H VAL 33 H VAL 33 -2.783 -0.032 -2.224 263 HA VAL 33 HA VAL 33 -0.054 0.293 -1.350 264 HB VAL 33 HB VAL 33 -1.992 -1.988 -0.937 265 HG11 VAL 33 1HG1 VAL 33 0.849 -1.650 -0.258 266 HG12 VAL 33 2HG1 VAL 33 -0.182 -2.203 1.064 267 HG13 VAL 33 3HG1 VAL 33 -0.109 -3.119 -0.442 268 HG21 VAL 33 1HG2 VAL 33 -2.908 -0.719 0.636 269 HG22 VAL 33 2HG2 VAL 33 -1.351 -0.618 1.457 270 HG23 VAL 33 3HG2 VAL 33 -1.791 0.591 0.252 271 H ALA 34 H ALA 34 1.725 -0.805 -2.023 272 HA ALA 34 HA ALA 34 1.370 -2.702 -4.252 273 HB1 ALA 34 1HB ALA 34 2.307 -0.356 -4.788 274 HB2 ALA 34 2HB ALA 34 3.786 -0.949 -4.032 275 HB3 ALA 34 3HB ALA 34 3.128 -1.772 -5.446 276 H THR 35 H THR 35 3.332 -4.112 -4.574 277 HA THR 35 HA THR 35 4.681 -4.717 -2.033 278 HB THR 35 HB THR 35 3.394 -6.768 -3.847 279 HG1 THR 35 1HG THR 35 2.782 -6.407 -1.120 280 HG21 THR 35 1HG2 THR 35 4.519 -8.399 -2.780 281 HG22 THR 35 2HG2 THR 35 4.399 -7.592 -1.217 282 HG23 THR 35 3HG2 THR 35 5.656 -7.119 -2.360 283 H VAL 36 H VAL 36 6.787 -4.503 -2.375 284 HA VAL 36 HA VAL 36 8.006 -4.476 -4.915 285 HB VAL 36 HB VAL 36 9.395 -4.969 -2.281 286 HG11 VAL 36 1HG1 VAL 36 10.953 -3.354 -3.915 287 HG12 VAL 36 2HG1 VAL 36 11.201 -5.069 -3.581 288 HG13 VAL 36 3HG1 VAL 36 10.288 -4.569 -5.005 289 HG21 VAL 36 1HG2 VAL 36 9.636 -2.551 -2.101 290 HG22 VAL 36 2HG2 VAL 36 8.689 -2.334 -3.573 291 HG23 VAL 36 3HG2 VAL 36 7.932 -3.007 -2.129 292 H ALA 37 H ALA 37 7.879 -6.259 -6.160 293 HA ALA 37 HA ALA 37 8.265 -8.902 -5.046 294 HB1 ALA 37 1HB ALA 37 7.047 -9.533 -6.788 295 HB2 ALA 37 2HB ALA 37 6.973 -7.850 -7.314 296 HB3 ALA 37 3HB ALA 37 8.258 -8.903 -7.906 297 H ASP 38 H ASP 38 9.967 -6.744 -7.289 298 HA ASP 38 HA ASP 38 12.431 -8.239 -6.739 299 HB2 ASP 38 1HB ASP 38 11.236 -8.736 -9.038 300 HB3 ASP 38 2HB ASP 38 11.971 -7.205 -9.508 301 H THR 39 H THR 39 14.269 -7.014 -6.604 302 HA THR 39 HA THR 39 13.907 -4.101 -6.892 303 HB THR 39 HB THR 39 15.670 -3.866 -5.136 304 HG1 THR 39 1HG THR 39 16.691 -5.624 -4.576 305 HG21 THR 39 1HG2 THR 39 13.129 -5.328 -4.423 306 HG22 THR 39 2HG2 THR 39 13.392 -3.585 -4.463 307 HG23 THR 39 3HG2 THR 39 14.188 -4.569 -3.235 308 H ASP 40 H ASP 40 14.917 -3.446 -8.677 309 HA ASP 40 HA ASP 40 17.275 -4.818 -9.654 310 HB2 ASP 40 1HB ASP 40 15.276 -3.740 -11.012 311 HB3 ASP 40 2HB ASP 40 16.268 -2.289 -10.885 312 H ASP 41 H ASP 41 18.892 -3.015 -10.707 313 HA ASP 41 HA ASP 41 20.503 -2.139 -8.648 314 HB2 ASP 41 1HB ASP 41 20.293 -0.946 -11.422 315 HB3 ASP 41 2HB ASP 41 21.653 -0.750 -10.319 316 H HIS 42 H HIS 42 18.589 0.042 -10.727 317 HA HIS 42 HA HIS 42 18.275 1.817 -8.395 318 HB2 HIS 42 1HB HIS 42 18.170 2.921 -11.167 319 HB3 HIS 42 2HB HIS 42 18.686 3.694 -9.671 320 HD1 HIS 42 1HD HIS 42 21.146 3.743 -9.206 321 HD2 HIS 42 2HD HIS 42 20.160 1.130 -12.282 322 HE1 HIS 42 1HE HIS 42 23.340 2.998 -10.184 323 HE2 HIS 42 2HE HIS 42 22.716 1.485 -12.098 324 H ARG 43 H ARG 43 16.537 -0.354 -9.436 325 HA ARG 43 HA ARG 43 14.078 1.206 -9.532 326 HB2 ARG 43 1HB ARG 43 14.564 -0.989 -11.545 327 HB3 ARG 43 2HB ARG 43 13.196 0.114 -11.466 328 HG2 ARG 43 1HG ARG 43 15.017 1.950 -11.795 329 HG3 ARG 43 2HG ARG 43 15.973 0.607 -12.425 330 HD2 ARG 43 1HD ARG 43 14.463 0.202 -14.169 331 HD3 ARG 43 2HD ARG 43 13.183 1.134 -13.393 332 HE ARG 43 HE ARG 43 14.022 3.014 -14.378 333 HH11 ARG 43 2HH1 ARG 43 16.477 0.546 -14.403 334 HH12 ARG 43 1HH1 ARG 43 17.582 1.471 -15.365 335 HH21 ARG 43 2HH2 ARG 43 15.467 4.242 -15.645 336 HH22 ARG 43 1HH2 ARG 43 17.006 3.574 -16.071 337 H VAL 44 H VAL 44 12.131 -0.308 -9.407 338 HA VAL 44 HA VAL 44 12.629 -2.888 -8.197 339 HB VAL 44 HB VAL 44 11.439 -2.407 -6.114 340 HG11 VAL 44 1HG1 VAL 44 13.664 -0.405 -6.355 341 HG12 VAL 44 2HG1 VAL 44 13.225 -1.407 -4.970 342 HG13 VAL 44 3HG1 VAL 44 13.964 -2.142 -6.394 343 HG21 VAL 44 1HG2 VAL 44 11.219 0.309 -7.331 344 HG22 VAL 44 2HG2 VAL 44 10.005 -0.641 -6.474 345 HG23 VAL 44 3HG2 VAL 44 11.299 0.151 -5.576 346 H LYS 45 H LYS 45 11.114 -4.221 -8.916 347 HA LYS 45 HA LYS 45 8.848 -3.309 -10.358 348 HB2 LYS 45 1HB LYS 45 10.080 -5.483 -10.723 349 HB3 LYS 45 2HB LYS 45 9.299 -6.090 -9.269 350 HG2 LYS 45 1HG LYS 45 7.168 -6.021 -10.255 351 HG3 LYS 45 2HG LYS 45 7.731 -5.013 -11.591 352 HD2 LYS 45 1HD LYS 45 9.326 -7.085 -12.002 353 HD3 LYS 45 2HD LYS 45 8.040 -7.939 -11.147 354 HE2 LYS 45 1HE LYS 45 6.497 -6.634 -12.823 355 HE3 LYS 45 2HE LYS 45 7.975 -6.540 -13.780 356 HZ1 LYS 45 1HZ LYS 45 7.600 -8.595 -14.465 357 HZ2 LYS 45 2HZ LYS 45 6.210 -8.703 -13.507 358 HZ3 LYS 45 3HZ LYS 45 7.710 -9.166 -12.876 359 H VAL 46 H VAL 46 7.115 -2.419 -9.459 360 HA VAL 46 HA VAL 46 6.306 -3.225 -6.763 361 HB VAL 46 HB VAL 46 4.739 -1.264 -6.932 362 HG11 VAL 46 1HG1 VAL 46 7.419 -0.133 -7.434 363 HG12 VAL 46 2HG1 VAL 46 6.323 0.102 -6.072 364 HG13 VAL 46 3HG1 VAL 46 7.312 -1.355 -6.168 365 HG21 VAL 46 1HG2 VAL 46 6.178 0.087 -9.023 366 HG22 VAL 46 2HG2 VAL 46 5.441 -1.392 -9.640 367 HG23 VAL 46 3HG2 VAL 46 4.442 -0.174 -8.848 368 H HIS 47 H HIS 47 4.810 -4.743 -6.565 369 HA HIS 47 HA HIS 47 2.838 -5.082 -8.722 370 HB2 HIS 47 1HB HIS 47 4.101 -7.088 -8.437 371 HB3 HIS 47 2HB HIS 47 3.927 -7.026 -6.686 372 HD1 HIS 47 1HD HIS 47 2.394 -8.405 -9.693 373 HD2 HIS 47 2HD HIS 47 1.204 -7.581 -5.798 374 HE1 HIS 47 1HE HIS 47 0.274 -9.713 -9.346 375 HE2 HIS 47 2HE HIS 47 -0.473 -9.131 -7.012 376 H PHE 48 H PHE 48 0.803 -4.530 -8.331 377 HA PHE 48 HA PHE 48 -0.002 -3.614 -5.741 378 HB2 PHE 48 1HB PHE 48 -1.443 -3.910 -8.373 379 HB3 PHE 48 2HB PHE 48 -2.260 -3.360 -6.913 380 HD1 PHE 48 1HD PHE 48 1.050 -2.606 -8.465 381 HD2 PHE 48 2HD PHE 48 -2.649 -1.105 -6.987 382 HE1 PHE 48 1HE PHE 48 1.807 -0.308 -8.913 383 HE2 PHE 48 2HE PHE 48 -1.898 1.195 -7.434 384 HZ PHE 48 HZ PHE 48 0.332 1.596 -8.398 385 H ASP 49 H ASP 49 -0.170 -5.191 -4.236 386 HA ASP 49 HA ASP 49 -0.782 -7.796 -4.376 387 HB2 ASP 49 1HB ASP 49 -0.492 -6.174 -2.309 388 HB3 ASP 49 2HB ASP 49 -2.251 -6.255 -2.279 389 H GLY 50 H GLY 50 -2.331 -8.961 -5.289 390 HA2 GLY 50 1HA GLY 50 -4.654 -9.606 -5.369 391 HA3 GLY 50 2HA GLY 50 -5.082 -7.905 -5.267 392 H TRP 51 H TRP 51 -3.555 -6.759 -7.200 393 HA TRP 51 HA TRP 51 -5.003 -7.288 -9.536 394 HB2 TRP 51 1HB TRP 51 -2.381 -5.833 -9.147 395 HB3 TRP 51 2HB TRP 51 -3.290 -5.837 -10.656 396 HD1 TRP 51 HD TRP 51 -3.792 -4.760 -6.964 397 HE1 TRP 51 1HE TRP 51 -5.359 -2.719 -6.941 398 HE3 TRP 51 3HE TRP 51 -4.865 -4.506 -11.956 399 HZ2 TRP 51 2HZ TRP 51 -6.853 -1.202 -8.795 400 HZ3 TRP 51 3HZ TRP 51 -6.372 -2.731 -12.749 401 HH2 TRP 51 HH TRP 51 -7.345 -1.114 -11.200 402 H ASN 52 H ASN 52 -4.543 -8.392 -11.410 403 HA ASN 52 HA ASN 52 -3.274 -10.803 -11.331 404 HB2 ASN 52 1HB ASN 52 -4.757 -9.747 -13.181 405 HB3 ASN 52 2HB ASN 52 -3.234 -9.190 -13.868 406 HD21 ASN 52 1HD2 ASN 52 -5.319 -11.860 -13.339 407 HD22 ASN 52 2HD2 ASN 52 -4.405 -13.033 -14.219 408 H ASN 53 H ASN 53 -1.311 -11.553 -12.488 409 HA ASN 53 HA ASN 53 0.960 -9.980 -11.649 410 HB2 ASN 53 1HB ASN 53 0.617 -12.738 -12.797 411 HB3 ASN 53 2HB ASN 53 2.214 -12.007 -12.668 412 HD21 ASN 53 1HD2 ASN 53 2.320 -10.802 -10.355 413 HD22 ASN 53 2HD2 ASN 53 1.999 -11.875 -9.039 414 H CYS 54 H CYS 54 -0.488 -8.698 -13.665 415 HA CYS 54 HA CYS 54 1.473 -8.748 -15.859 416 HB2 CYS 54 1HB CYS 54 -1.519 -8.738 -15.997 417 HB3 CYS 54 2HB CYS 54 -0.594 -7.941 -17.264 418 HG CYS 54 HG CYS 54 -1.466 -10.594 -17.968 419 H TYR 55 H TYR 55 -0.886 -6.872 -14.024 420 HA TYR 55 HA TYR 55 -0.459 -4.370 -15.171 421 HB2 TYR 55 1HB TYR 55 -1.352 -5.264 -12.450 422 HB3 TYR 55 2HB TYR 55 -1.095 -3.553 -12.776 423 HD1 TYR 55 2HD TYR 55 -2.969 -6.529 -13.993 424 HD2 TYR 55 1HD TYR 55 -2.775 -2.284 -13.788 425 HE1 TYR 55 2HE TYR 55 -5.220 -6.385 -14.972 426 HE2 TYR 55 1HE TYR 55 -5.027 -2.128 -14.765 427 HH TYR 55 HH TYR 55 -6.532 -3.479 -16.147 428 H ASP 56 H ASP 56 1.331 -6.067 -12.659 429 HA ASP 56 HA ASP 56 2.910 -4.189 -11.537 430 HB2 ASP 56 1HB ASP 56 4.814 -6.026 -11.893 431 HB3 ASP 56 2HB ASP 56 3.478 -6.268 -10.769 432 H TYR 57 H TYR 57 4.669 -2.952 -12.040 433 HA TYR 57 HA TYR 57 5.841 -3.165 -14.706 434 HB2 TYR 57 1HB TYR 57 5.622 -0.620 -14.913 435 HB3 TYR 57 2HB TYR 57 4.172 -1.576 -15.199 436 HD1 TYR 57 2HD TYR 57 5.916 0.096 -12.342 437 HD2 TYR 57 1HD TYR 57 2.219 -0.826 -14.235 438 HE1 TYR 57 2HE TYR 57 4.723 1.409 -10.638 439 HE2 TYR 57 1HE TYR 57 1.016 0.485 -12.537 440 HH TYR 57 HH TYR 57 1.460 2.304 -10.960 441 H TRP 58 H TRP 58 7.884 -2.158 -14.908 442 HA TRP 58 HA TRP 58 9.379 -2.111 -12.457 443 HB2 TRP 58 1HB TRP 58 10.029 -1.904 -15.364 444 HB3 TRP 58 2HB TRP 58 11.218 -1.328 -14.199 445 HD1 TRP 58 HD TRP 58 10.125 -4.408 -15.911 446 HE1 TRP 58 1HE TRP 58 11.243 -6.475 -14.862 447 HE3 TRP 58 3HE TRP 58 11.957 -2.263 -11.647 448 HZ2 TRP 58 2HZ TRP 58 12.708 -7.112 -12.535 449 HZ3 TRP 58 3HZ TRP 58 13.205 -3.671 -10.061 450 HH2 TRP 58 HH TRP 58 13.571 -6.045 -10.498 451 H ILE 59 H ILE 59 9.129 -0.393 -11.164 452 HA ILE 59 HA ILE 59 9.187 2.288 -12.378 453 HB ILE 59 HB ILE 59 7.183 1.604 -10.962 454 HG12 ILE 59 1HG1 ILE 59 8.625 4.014 -9.872 455 HG13 ILE 59 2HG1 ILE 59 8.009 3.977 -11.520 456 HG21 ILE 59 1HG2 ILE 59 7.523 1.877 -8.503 457 HG22 ILE 59 2HG2 ILE 59 8.275 0.437 -9.187 458 HG23 ILE 59 3HG2 ILE 59 9.262 1.845 -8.796 459 HD11 ILE 59 1HD1 ILE 59 6.628 4.846 -9.353 460 HD12 ILE 59 2HD1 ILE 59 5.900 4.286 -10.859 461 HD13 ILE 59 3HD1 ILE 59 6.060 3.182 -9.493 462 H ASP 60 H ASP 60 10.591 3.843 -11.617 463 HA ASP 60 HA ASP 60 13.048 2.918 -10.529 464 HB2 ASP 60 1HB ASP 60 12.001 5.711 -11.025 465 HB3 ASP 60 2HB ASP 60 13.644 5.359 -10.497 466 H ALA 61 H ALA 61 13.682 2.739 -8.482 467 HA ALA 61 HA ALA 61 11.917 3.118 -6.325 468 HB1 ALA 61 1HB ALA 61 14.137 1.679 -6.629 469 HB2 ALA 61 2HB ALA 61 14.826 3.059 -5.774 470 HB3 ALA 61 3HB ALA 61 13.513 2.136 -5.044 471 H ASP 62 H ASP 62 13.793 5.345 -8.031 472 HA ASP 62 HA ASP 62 13.823 7.234 -5.777 473 HB2 ASP 62 1HB ASP 62 15.333 7.316 -8.399 474 HB3 ASP 62 2HB ASP 62 15.432 8.538 -7.134 475 H SER 63 H SER 63 11.729 6.391 -7.997 476 HA SER 63 HA SER 63 11.163 8.791 -9.406 477 HB2 SER 63 1HB SER 63 10.399 6.426 -10.003 478 HB3 SER 63 2HB SER 63 9.156 6.628 -8.769 479 HG SER 63 HG SER 63 9.543 8.254 -11.063 480 HA PRO 64 HA PRO 64 9.175 11.159 -6.268 481 HB2 PRO 64 1HB PRO 64 7.750 12.834 -7.860 482 HB3 PRO 64 2HB PRO 64 9.500 12.968 -7.647 483 HG2 PRO 64 1HG PRO 64 7.955 11.709 -9.881 484 HG3 PRO 64 2HG PRO 64 9.389 12.749 -9.959 485 HD2 PRO 64 1HD PRO 64 9.528 10.055 -10.200 486 HD3 PRO 64 2HD PRO 64 10.827 11.017 -9.465 487 H ASP 65 H ASP 65 7.494 9.215 -8.537 488 HA ASP 65 HA ASP 65 4.849 9.780 -7.543 489 HB2 ASP 65 1HB ASP 65 5.514 7.319 -9.117 490 HB3 ASP 65 2HB ASP 65 4.068 8.323 -9.175 491 H ILE 66 H ILE 66 7.363 7.416 -6.957 492 HA ILE 66 HA ILE 66 5.796 5.551 -5.519 493 HB ILE 66 HB ILE 66 8.748 6.110 -5.595 494 HG12 ILE 66 1HG1 ILE 66 7.013 3.807 -6.511 495 HG13 ILE 66 2HG1 ILE 66 7.816 4.991 -7.537 496 HG21 ILE 66 1HG2 ILE 66 8.715 3.769 -4.330 497 HG22 ILE 66 2HG2 ILE 66 8.752 5.308 -3.470 498 HG23 ILE 66 3HG2 ILE 66 7.226 4.448 -3.672 499 HD11 ILE 66 1HD1 ILE 66 9.873 3.916 -6.049 500 HD12 ILE 66 2HD1 ILE 66 8.828 2.537 -6.392 501 HD13 ILE 66 3HD1 ILE 66 9.460 3.517 -7.716 502 H HIS 67 H HIS 67 4.987 5.634 -3.531 503 HA HIS 67 HA HIS 67 6.161 7.522 -1.603 504 HB2 HIS 67 1HB HIS 67 3.209 7.016 -2.033 505 HB3 HIS 67 2HB HIS 67 3.898 8.043 -0.780 506 HD1 HIS 67 1HD HIS 67 5.514 10.048 -1.906 507 HD2 HIS 67 2HD HIS 67 2.454 8.427 -4.202 508 HE1 HIS 67 1HE HIS 67 5.070 11.732 -3.720 509 HE2 HIS 67 2HE HIS 67 3.157 10.769 -5.046 510 HA PRO 68 HA PRO 68 6.341 4.038 1.084 511 HB2 PRO 68 1HB PRO 68 6.524 5.348 3.455 512 HB3 PRO 68 2HB PRO 68 7.863 5.252 2.305 513 HG2 PRO 68 1HG PRO 68 5.915 7.479 2.763 514 HG3 PRO 68 2HG PRO 68 7.668 7.561 2.509 515 HD2 PRO 68 1HD PRO 68 5.885 8.074 0.537 516 HD3 PRO 68 2HD PRO 68 7.473 7.347 0.222 517 H VAL 69 H VAL 69 5.127 2.908 2.661 518 HA VAL 69 HA VAL 69 2.356 3.158 2.493 519 HB VAL 69 HB VAL 69 4.127 1.692 4.430 520 HG11 VAL 69 1HG1 VAL 69 1.655 0.586 4.797 521 HG12 VAL 69 2HG1 VAL 69 2.438 1.718 5.901 522 HG13 VAL 69 3HG1 VAL 69 1.282 2.307 4.706 523 HG21 VAL 69 1HG2 VAL 69 2.612 1.067 1.966 524 HG22 VAL 69 2HG2 VAL 69 4.161 0.444 2.534 525 HG23 VAL 69 3HG2 VAL 69 2.657 -0.180 3.213 526 H GLY 70 H GLY 70 1.344 4.983 3.107 527 HA2 GLY 70 1HA GLY 70 0.255 5.852 5.178 528 HA3 GLY 70 2HA GLY 70 1.877 5.967 5.843 529 H TRP 71 H TRP 71 1.868 6.743 2.577 530 HA TRP 71 HA TRP 71 2.517 9.466 3.091 531 HB2 TRP 71 1HB TRP 71 3.619 8.609 1.230 532 HB3 TRP 71 2HB TRP 71 2.177 7.800 0.623 533 HD1 TRP 71 HD TRP 71 4.220 10.839 0.107 534 HE1 TRP 71 1HE TRP 71 3.024 12.469 -1.485 535 HE3 TRP 71 3HE TRP 71 -0.420 8.694 0.085 536 HZ2 TRP 71 2HZ TRP 71 0.453 12.802 -2.602 537 HZ3 TRP 71 3HZ TRP 71 -2.192 9.731 -1.271 538 HH2 TRP 71 HH TRP 71 -1.763 11.743 -2.586 539 H CYS 72 H CYS 72 -0.422 7.839 2.701 540 HA CYS 72 HA CYS 72 -1.972 9.788 1.388 541 HB2 CYS 72 1HB CYS 72 -3.902 8.608 2.268 542 HB3 CYS 72 2HB CYS 72 -2.694 7.444 1.740 543 HG CYS 72 HG CYS 72 -4.173 6.856 4.236 544 H SER 73 H SER 73 -0.647 9.674 4.540 545 HA SER 73 HA SER 73 -2.535 11.612 5.621 546 HB2 SER 73 1HB SER 73 -0.275 10.005 6.773 547 HB3 SER 73 2HB SER 73 -0.893 11.410 7.641 548 HG SER 73 HG SER 73 -2.876 10.443 7.787 549 H LYS 74 H LYS 74 0.974 11.380 5.057 550 HA LYS 74 HA LYS 74 1.919 13.767 5.813 551 HB2 LYS 74 1HB LYS 74 2.494 12.082 3.427 552 HB3 LYS 74 2HB LYS 74 3.201 13.691 3.476 553 HG2 LYS 74 1HG LYS 74 4.403 13.203 5.454 554 HG3 LYS 74 2HG LYS 74 3.503 11.707 5.713 555 HD2 LYS 74 1HD LYS 74 5.506 10.943 4.831 556 HD3 LYS 74 2HD LYS 74 4.469 11.021 3.405 557 HE2 LYS 74 1HE LYS 74 6.428 12.029 2.678 558 HE3 LYS 74 2HE LYS 74 5.421 13.405 3.127 559 HZ1 LYS 74 1HZ LYS 74 7.827 13.377 3.923 560 HZ2 LYS 74 2HZ LYS 74 7.327 12.212 5.042 561 HZ3 LYS 74 3HZ LYS 74 6.635 13.756 5.063 562 H THR 75 H THR 75 0.625 13.332 2.515 563 HA THR 75 HA THR 75 0.354 16.177 2.163 564 HB THR 75 HB THR 75 -0.527 15.650 -0.048 565 HG1 THR 75 1HG THR 75 -1.286 13.713 -0.524 566 HG21 THR 75 1HG2 THR 75 1.532 13.677 -0.233 567 HG22 THR 75 2HG2 THR 75 2.024 14.914 0.923 568 HG23 THR 75 3HG2 THR 75 1.577 15.371 -0.720 569 H GLY 76 H GLY 76 -1.888 13.424 2.421 570 HA2 GLY 76 1HA GLY 76 -3.872 13.749 3.829 571 HA3 GLY 76 2HA GLY 76 -3.996 15.363 3.146 572 H HIS 77 H HIS 77 -3.171 12.639 1.145 573 HA HIS 77 HA HIS 77 -5.693 12.995 -0.296 574 HB2 HIS 77 1HB HIS 77 -2.985 11.973 -1.018 575 HB3 HIS 77 2HB HIS 77 -4.370 11.357 -1.915 576 HD1 HIS 77 1HD HIS 77 -6.029 13.900 -2.220 577 HD2 HIS 77 2HD HIS 77 -1.911 13.758 -2.757 578 HE1 HIS 77 1HE HIS 77 -5.475 15.862 -3.692 579 HE2 HIS 77 2HE HIS 77 -2.990 15.707 -4.073 580 HA PRO 78 HA PRO 78 -7.397 9.225 1.197 581 HB2 PRO 78 1HB PRO 78 -9.105 8.675 -0.840 582 HB3 PRO 78 2HB PRO 78 -9.396 9.960 0.338 583 HG2 PRO 78 1HG PRO 78 -8.285 10.149 -2.435 584 HG3 PRO 78 2HG PRO 78 -9.474 11.192 -1.633 585 HD2 PRO 78 1HD PRO 78 -6.867 11.879 -1.880 586 HD3 PRO 78 2HD PRO 78 -7.857 12.372 -0.492 587 H LEU 79 H LEU 79 -7.064 7.050 1.039 588 HA LEU 79 HA LEU 79 -5.487 6.130 -1.269 589 HB2 LEU 79 1HB LEU 79 -4.434 6.080 1.011 590 HB3 LEU 79 2HB LEU 79 -5.634 4.872 1.464 591 HG LEU 79 HG LEU 79 -4.690 3.520 -0.526 592 HD11 LEU 79 1HD1 LEU 79 -2.248 3.993 -0.863 593 HD12 LEU 79 2HD1 LEU 79 -2.515 5.553 -0.088 594 HD13 LEU 79 3HD1 LEU 79 -3.349 5.162 -1.592 595 HD21 LEU 79 1HD2 LEU 79 -2.999 2.527 0.907 596 HD22 LEU 79 2HD2 LEU 79 -4.443 2.918 1.841 597 HD23 LEU 79 3HD2 LEU 79 -3.017 3.951 1.947 598 H GLN 80 H GLN 80 -6.046 4.274 -2.348 599 HA GLN 80 HA GLN 80 -8.715 3.210 -1.731 600 HB2 GLN 80 1HB GLN 80 -7.163 3.142 -4.324 601 HB3 GLN 80 2HB GLN 80 -8.775 2.481 -4.085 602 HG2 GLN 80 1HG GLN 80 -8.025 5.382 -3.795 603 HG3 GLN 80 2HG GLN 80 -8.804 4.661 -5.202 604 HE21 GLN 80 1HE2 GLN 80 -9.772 6.788 -3.511 605 HE22 GLN 80 2HE2 GLN 80 -11.271 6.248 -2.843 606 HA PRO 81 HA PRO 81 -6.830 -0.601 -0.528 607 HB2 PRO 81 1HB PRO 81 -9.073 -2.132 -0.558 608 HB3 PRO 81 2HB PRO 81 -8.727 -0.958 0.718 609 HG2 PRO 81 1HG PRO 81 -10.507 -0.687 -1.674 610 HG3 PRO 81 2HG PRO 81 -10.798 -0.179 0.000 611 HD2 PRO 81 1HD PRO 81 -10.023 1.551 -1.933 612 HD3 PRO 81 2HD PRO 81 -9.548 1.743 -0.233 613 HA PRO 82 HA PRO 82 -6.036 -2.861 -4.224 614 HB2 PRO 82 1HB PRO 82 -5.424 -5.295 -3.188 615 HB3 PRO 82 2HB PRO 82 -4.344 -3.901 -3.068 616 HG2 PRO 82 1HG PRO 82 -6.239 -5.010 -1.032 617 HG3 PRO 82 2HG PRO 82 -4.578 -4.427 -0.815 618 HD2 PRO 82 1HD PRO 82 -6.742 -2.926 -0.187 619 HD3 PRO 82 2HD PRO 82 -5.225 -2.215 -0.774 620 H LEU 83 H LEU 83 -6.510 -5.268 -5.064 621 HA LEU 83 HA LEU 83 -9.191 -5.406 -5.709 622 HB2 LEU 83 1HB LEU 83 -6.925 -7.321 -5.798 623 HB3 LEU 83 2HB LEU 83 -8.549 -7.966 -6.027 624 HG LEU 83 HG LEU 83 -7.052 -6.012 -7.752 625 HD11 LEU 83 1HD1 LEU 83 -8.047 -7.783 -9.435 626 HD12 LEU 83 2HD1 LEU 83 -8.065 -8.796 -7.992 627 HD13 LEU 83 3HD1 LEU 83 -6.550 -8.088 -8.553 628 HD21 LEU 83 1HD2 LEU 83 -9.056 -4.946 -7.880 629 HD22 LEU 83 2HD2 LEU 83 -9.977 -6.378 -7.420 630 HD23 LEU 83 3HD2 LEU 83 -9.353 -6.221 -9.062 631 H SER 84 H SER 84 -10.657 -7.323 -5.225 632 HA SER 84 HA SER 84 -11.329 -7.283 -2.487 633 HB2 SER 84 1HB SER 84 -12.303 -8.770 -4.888 634 HB3 SER 84 2HB SER 84 -12.795 -9.341 -3.293 635 HG SER 84 HG SER 84 -13.839 -7.465 -2.927 636 HA PRO 85 HA PRO 85 -9.034 -10.563 -0.694 637 HB2 PRO 85 1HB PRO 85 -10.844 -11.662 1.005 638 HB3 PRO 85 2HB PRO 85 -10.096 -10.086 1.287 639 HG2 PRO 85 1HG PRO 85 -12.789 -10.727 0.150 640 HG3 PRO 85 2HG PRO 85 -12.341 -9.482 1.330 641 HD2 PRO 85 1HD PRO 85 -12.745 -8.928 -1.289 642 HD3 PRO 85 2HD PRO 85 -11.573 -8.040 -0.295 643 H LEU 86 H LEU 86 -11.554 -11.161 -2.797 644 HA LEU 86 HA LEU 86 -11.156 -14.076 -2.666 645 HB2 LEU 86 1HB LEU 86 -13.280 -14.345 -3.726 646 HB3 LEU 86 2HB LEU 86 -13.474 -13.272 -2.341 647 HG LEU 86 HG LEU 86 -13.184 -11.420 -4.227 648 HD11 LEU 86 1HD1 LEU 86 -14.131 -12.033 -6.313 649 HD12 LEU 86 2HD1 LEU 86 -14.548 -13.643 -5.727 650 HD13 LEU 86 3HD1 LEU 86 -12.857 -13.203 -5.967 651 HD21 LEU 86 1HD2 LEU 86 -15.069 -11.401 -2.824 652 HD22 LEU 86 2HD2 LEU 86 -15.649 -12.948 -3.441 653 HD23 LEU 86 3HD2 LEU 86 -15.716 -11.510 -4.461 654 H GLU 87 H GLU 87 -10.648 -11.257 -4.531 655 HA GLU 87 HA GLU 87 -10.457 -12.547 -7.086 656 HB2 GLU 87 1HB GLU 87 -9.533 -9.837 -6.123 657 HB3 GLU 87 2HB GLU 87 -9.411 -10.380 -7.790 658 HG2 GLU 87 1HG GLU 87 -12.066 -10.506 -6.473 659 HG3 GLU 87 2HG GLU 87 -11.437 -8.926 -6.939 660 H LEU 88 H LEU 88 -8.172 -11.505 -4.599 661 HA LEU 88 HA LEU 88 -5.817 -12.097 -6.037 662 HB2 LEU 88 1HB LEU 88 -4.673 -11.641 -4.095 663 HB3 LEU 88 2HB LEU 88 -6.168 -10.737 -3.862 664 HG LEU 88 HG LEU 88 -5.864 -13.494 -2.728 665 HD11 LEU 88 1HD1 LEU 88 -3.971 -11.758 -2.117 666 HD12 LEU 88 2HD1 LEU 88 -4.695 -12.804 -0.896 667 HD13 LEU 88 3HD1 LEU 88 -5.225 -11.129 -1.047 668 HD21 LEU 88 1HD2 LEU 88 -7.491 -11.059 -2.014 669 HD22 LEU 88 2HD2 LEU 88 -7.430 -12.534 -1.048 670 HD23 LEU 88 3HD2 LEU 88 -8.079 -12.579 -2.688 671 H MET 89 H MET 89 -8.032 -14.059 -4.214 672 HA MET 89 HA MET 89 -6.210 -16.352 -4.348 673 HB2 MET 89 1HB MET 89 -8.093 -17.431 -2.950 674 HB3 MET 89 2HB MET 89 -7.072 -16.221 -2.184 675 HG2 MET 89 1HG MET 89 -8.786 -14.532 -2.529 676 HG3 MET 89 2HG MET 89 -9.805 -15.720 -3.339 677 HE1 MET 89 1HE MET 89 -11.894 -16.897 -1.606 678 HE2 MET 89 2HE MET 89 -10.592 -17.749 -2.436 679 HE3 MET 89 3HE MET 89 -10.944 -18.108 -0.745 680 H GLU 90 H GLU 90 -6.499 -16.473 -6.688 681 HA GLU 90 HA GLU 90 -8.974 -17.909 -7.382 682 HB2 GLU 90 1HB GLU 90 -8.736 -15.528 -8.327 683 HB3 GLU 90 2HB GLU 90 -7.474 -16.199 -9.351 684 HG2 GLU 90 1HG GLU 90 -9.066 -17.774 -10.304 685 HG3 GLU 90 2HG GLU 90 -10.334 -17.134 -9.261 686 H ALA 91 H ALA 91 -8.762 -19.471 -9.101 687 HA ALA 91 HA ALA 91 -7.743 -21.441 -9.739 688 HB1 ALA 91 1HB ALA 91 -7.060 -19.323 -11.315 689 HB2 ALA 91 2HB ALA 91 -5.482 -20.011 -10.926 690 HB3 ALA 91 3HB ALA 91 -6.719 -21.014 -11.685 691 H SER 92 H SER 92 -7.067 -20.956 -7.101 692 HA SER 92 HA SER 92 -4.187 -21.272 -6.847 693 HB2 SER 92 1HB SER 92 -5.774 -19.923 -5.265 694 HB3 SER 92 2HB SER 92 -6.105 -21.501 -4.549 695 HG SER 92 HG SER 92 -4.385 -20.902 -3.428 696 H GLU 93 H GLU 93 -3.147 -23.139 -6.455 697 HA GLU 93 HA GLU 93 -4.785 -25.548 -6.010 698 HB2 GLU 93 1HB GLU 93 -2.482 -25.083 -7.874 699 HB3 GLU 93 2HB GLU 93 -2.797 -26.696 -7.250 700 HG2 GLU 93 1HG GLU 93 -4.842 -26.857 -8.336 701 HG3 GLU 93 2HG GLU 93 -4.968 -25.113 -8.561 702 H HIS 94 H HIS 94 -4.234 -26.796 -4.332 703 HA HIS 94 HA HIS 94 -2.700 -26.056 -2.242 704 HB2 HIS 94 1HB HIS 94 -2.870 -28.223 -1.421 705 HB3 HIS 94 2HB HIS 94 -4.183 -28.175 -2.593 706 HD1 HIS 94 1HD HIS 94 -2.966 -28.879 -5.175 707 HD2 HIS 94 2HD HIS 94 -1.690 -30.633 -1.632 708 HE1 HIS 94 1HE HIS 94 -1.866 -31.037 -5.851 709 HE2 HIS 94 2HE HIS 94 -1.178 -32.121 -3.684 710 H GLY 95 H GLY 95 -0.589 -26.239 -1.546 711 HA2 GLY 95 1HA GLY 95 1.364 -26.903 -3.661 712 HA3 GLY 95 2HA GLY 95 1.623 -25.678 -2.427 713 H GLY 96 H GLY 96 3.593 -26.687 -1.836 714 HA2 GLY 96 1HA GLY 96 3.573 -29.411 -0.877 715 HA3 GLY 96 2HA GLY 96 4.931 -28.296 -0.833 716 H CYS 97 H CYS 97 5.089 -29.454 1.327 717 HA CYS 97 HA CYS 97 4.213 -27.654 3.360 718 HB2 CYS 97 1HB CYS 97 2.239 -29.305 2.855 719 HB3 CYS 97 2HB CYS 97 3.207 -30.445 3.782 720 HG CYS 97 HG CYS 97 3.300 -28.698 6.049 721 H SER 98 H SER 98 5.214 -28.049 5.392 722 HA SER 98 HA SER 98 7.510 -29.879 5.193 723 HB2 SER 98 1HB SER 98 7.126 -27.259 6.629 724 HB3 SER 98 2HB SER 98 8.424 -28.367 7.074 725 HG SER 98 HG SER 98 9.253 -26.991 5.556 726 H THR 99 H THR 99 7.315 -31.684 6.324 727 HA THR 99 HA THR 99 6.399 -31.596 9.073 728 HB THR 99 HB THR 99 5.015 -33.435 7.112 729 HG1 THR 99 1HG THR 99 3.481 -31.965 6.975 730 HG21 THR 99 1HG2 THR 99 4.519 -34.599 8.952 731 HG22 THR 99 2HG2 THR 99 3.552 -33.220 9.475 732 HG23 THR 99 3HG2 THR 99 5.230 -33.369 9.997 733 HA PRO 100 HA PRO 100 9.769 -34.513 9.098 734 HB2 PRO 100 1HB PRO 100 9.772 -34.906 11.784 735 HB3 PRO 100 2HB PRO 100 10.458 -33.466 11.023 736 HG2 PRO 100 1HG PRO 100 7.790 -33.828 12.331 737 HG3 PRO 100 2HG PRO 100 8.925 -32.473 12.463 738 HD2 PRO 100 1HD PRO 100 6.740 -32.393 10.866 739 HD3 PRO 100 2HD PRO 100 8.248 -31.548 10.463 740 H GLY 101 H GLY 101 10.129 -36.730 10.002 741 HA2 GLY 101 1HA GLY 101 9.111 -38.714 10.997 742 HA3 GLY 101 2HA GLY 101 7.582 -38.196 10.302 743 H SER 102 H SER 102 7.388 -40.276 9.331 744 HA SER 102 HA SER 102 9.325 -40.973 7.270 745 HB2 SER 102 1HB SER 102 7.068 -42.386 8.624 746 HB3 SER 102 2HB SER 102 7.552 -42.930 7.018 747 HG SER 102 HG SER 102 9.553 -42.506 8.919 748 H GLY 103 H GLY 103 5.813 -40.401 7.509 749 HA2 GLY 103 1HA GLY 103 4.438 -39.292 6.000 750 HA3 GLY 103 2HA GLY 103 5.824 -39.077 4.940 751 HA PRO 104 HA PRO 104 2.882 -42.431 3.369 752 HB2 PRO 104 1HB PRO 104 2.016 -41.115 1.158 753 HB3 PRO 104 2HB PRO 104 1.201 -41.004 2.723 754 HG2 PRO 104 1HG PRO 104 3.129 -39.099 1.451 755 HG3 PRO 104 2HG PRO 104 1.626 -38.752 2.326 756 HD2 PRO 104 1HD PRO 104 4.068 -38.509 3.471 757 HD3 PRO 104 2HD PRO 104 2.625 -38.987 4.390 758 H SER 105 H SER 105 2.860 -43.137 0.893 759 HA SER 105 HA SER 105 5.579 -42.826 -0.188 760 HB2 SER 105 1HB SER 105 5.082 -45.036 1.094 761 HB3 SER 105 2HB SER 105 4.143 -45.462 -0.337 762 HG SER 105 HG SER 105 6.747 -44.500 -0.684 763 H SER 106 H SER 106 5.721 -43.605 -2.488 764 HA SER 106 HA SER 106 3.193 -43.259 -3.942 765 HB2 SER 106 1HB SER 106 4.357 -41.087 -3.938 766 HB3 SER 106 2HB SER 106 5.788 -41.854 -4.627 767 HG SER 106 HG SER 106 4.900 -41.637 -6.506 768 H GLY 107 H GLY 107 3.400 -43.908 -6.267 769 HA2 GLY 107 1HA GLY 107 5.592 -45.639 -6.980 770 HA3 GLY 107 2HA GLY 107 4.113 -46.508 -6.602 Start of MODEL 8 1 H1 GLY 1 H GLY 1 12.296 -18.638 -3.337 2 HA2 GLY 1 1HA GLY 1 12.151 -18.344 -0.410 3 HA3 GLY 1 2HA GLY 1 12.996 -19.715 -1.112 4 H SER 2 H SER 2 13.327 -16.604 0.047 5 HA SER 2 HA SER 2 15.584 -15.854 -1.603 6 HB2 SER 2 1HB SER 2 14.460 -14.563 0.896 7 HB3 SER 2 2HB SER 2 15.700 -13.866 -0.147 8 HG SER 2 HG SER 2 13.248 -14.658 -1.259 9 H SER 3 H SER 3 17.658 -15.211 -0.535 10 HA SER 3 HA SER 3 18.376 -17.181 1.537 11 HB2 SER 3 1HB SER 3 20.654 -17.161 0.575 12 HB3 SER 3 2HB SER 3 19.448 -17.681 -0.603 13 HG SER 3 HG SER 3 19.605 -15.749 -1.627 14 H GLY 4 H GLY 4 19.845 -16.556 3.161 15 HA2 GLY 4 1HA GLY 4 19.507 -13.951 4.158 16 HA3 GLY 4 2HA GLY 4 20.685 -15.118 4.739 17 H SER 5 H SER 5 21.146 -12.343 4.604 18 HA SER 5 HA SER 5 23.532 -12.348 2.963 19 HB2 SER 5 1HB SER 5 21.701 -11.505 1.461 20 HB3 SER 5 2HB SER 5 21.483 -10.156 2.575 21 HG SER 5 HG SER 5 22.874 -9.476 0.992 22 H SER 6 H SER 6 24.967 -11.872 4.497 23 HA SER 6 HA SER 6 24.351 -9.682 6.367 24 HB2 SER 6 1HB SER 6 26.404 -11.881 6.700 25 HB3 SER 6 2HB SER 6 25.936 -10.684 7.908 26 HG SER 6 HG SER 6 23.703 -11.758 7.283 27 H GLY 7 H GLY 7 25.793 -8.012 6.657 28 HA2 GLY 7 1HA GLY 7 27.572 -6.615 6.217 29 HA3 GLY 7 2HA GLY 7 28.412 -7.995 5.525 30 H VAL 8 H VAL 8 25.299 -6.672 4.505 31 HA VAL 8 HA VAL 8 26.560 -5.729 2.021 32 HB VAL 8 HB VAL 8 24.024 -7.364 2.189 33 HG11 VAL 8 1HG1 VAL 8 25.351 -5.991 -0.142 34 HG12 VAL 8 2HG1 VAL 8 24.095 -7.221 -0.306 35 HG13 VAL 8 3HG1 VAL 8 23.737 -5.695 0.503 36 HG21 VAL 8 1HG2 VAL 8 25.966 -8.411 0.390 37 HG22 VAL 8 2HG2 VAL 8 26.740 -8.131 1.950 38 HG23 VAL 8 3HG2 VAL 8 25.302 -9.148 1.848 39 H LYS 9 H LYS 9 25.490 -4.024 0.960 40 HA LYS 9 HA LYS 9 23.492 -2.631 2.620 41 HB2 LYS 9 1HB LYS 9 24.409 -0.537 1.924 42 HB3 LYS 9 2HB LYS 9 25.748 -1.538 2.471 43 HG2 LYS 9 1HG LYS 9 26.136 -2.130 0.051 44 HG3 LYS 9 2HG LYS 9 24.982 -0.858 -0.353 45 HD2 LYS 9 1HD LYS 9 26.366 0.797 0.738 46 HD3 LYS 9 2HD LYS 9 27.482 -0.454 1.288 47 HE2 LYS 9 1HE LYS 9 28.115 -0.951 -0.984 48 HE3 LYS 9 2HE LYS 9 26.898 0.163 -1.606 49 HZ1 LYS 9 1HZ LYS 9 28.329 1.745 0.028 50 HZ2 LYS 9 2HZ LYS 9 28.586 1.608 -1.638 51 HZ3 LYS 9 3HZ LYS 9 29.531 0.710 -0.561 52 HA PRO 10 HA PRO 10 20.697 -2.783 -0.770 53 HB2 PRO 10 1HB PRO 10 19.206 -0.576 -0.246 54 HB3 PRO 10 2HB PRO 10 19.089 -2.063 0.704 55 HG2 PRO 10 1HG PRO 10 20.586 0.459 1.308 56 HG3 PRO 10 2HG PRO 10 19.600 -0.544 2.389 57 HD2 PRO 10 1HD PRO 10 22.305 -0.667 2.350 58 HD3 PRO 10 2HD PRO 10 21.290 -2.078 2.711 59 HA PRO 11 HA PRO 11 22.333 -0.206 -3.959 60 HB2 PRO 11 1HB PRO 11 20.340 -0.470 -5.783 61 HB3 PRO 11 2HB PRO 11 21.499 -1.758 -5.433 62 HG2 PRO 11 1HG PRO 11 18.701 -1.403 -4.429 63 HG3 PRO 11 2HG PRO 11 19.507 -2.876 -4.999 64 HD2 PRO 11 1HD PRO 11 19.195 -2.310 -2.369 65 HD3 PRO 11 2HD PRO 11 20.594 -3.208 -2.993 66 H HIS 12 H HIS 12 18.850 0.223 -3.313 67 HA HIS 12 HA HIS 12 19.256 3.130 -3.573 68 HB2 HIS 12 1HB HIS 12 16.650 2.953 -4.129 69 HB3 HIS 12 2HB HIS 12 17.886 2.817 -5.377 70 HD1 HIS 12 1HD HIS 12 15.789 0.554 -3.162 71 HD2 HIS 12 2HD HIS 12 17.753 0.521 -6.822 72 HE1 HIS 12 1HE HIS 12 15.183 -1.641 -4.230 73 HE2 HIS 12 2HE HIS 12 16.451 -1.675 -6.406 74 H GLY 13 H GLY 13 17.936 0.502 -1.751 75 HA2 GLY 13 1HA GLY 13 17.832 1.078 0.696 76 HA3 GLY 13 2HA GLY 13 16.824 2.428 0.194 77 H PHE 14 H PHE 14 15.152 1.266 -1.635 78 HA PHE 14 HA PHE 14 13.116 0.223 -0.122 79 HB2 PHE 14 1HB PHE 14 13.749 -0.084 -3.051 80 HB3 PHE 14 2HB PHE 14 12.290 -0.769 -2.344 81 HD1 PHE 14 1HD PHE 14 14.140 2.426 -2.741 82 HD2 PHE 14 2HD PHE 14 10.382 0.531 -2.104 83 HE1 PHE 14 1HE PHE 14 13.007 4.595 -2.995 84 HE2 PHE 14 2HE PHE 14 9.243 2.697 -2.358 85 HZ PHE 14 HZ PHE 14 10.555 4.732 -2.805 86 H GLN 15 H GLN 15 12.247 -1.871 0.175 87 HA GLN 15 HA GLN 15 14.206 -4.050 -0.133 88 HB2 GLN 15 1HB GLN 15 12.229 -3.696 2.126 89 HB3 GLN 15 2HB GLN 15 13.390 -5.006 1.959 90 HG2 GLN 15 1HG GLN 15 15.224 -3.400 2.154 91 HG3 GLN 15 2HG GLN 15 14.053 -2.095 2.340 92 HE21 GLN 15 1HE2 GLN 15 15.258 -1.748 4.347 93 HE22 GLN 15 2HE2 GLN 15 14.804 -2.645 5.751 94 H LYS 16 H LYS 16 13.232 -6.231 -0.185 95 HA LYS 16 HA LYS 16 10.848 -6.198 -1.865 96 HB2 LYS 16 1HB LYS 16 13.037 -8.171 -1.341 97 HB3 LYS 16 2HB LYS 16 11.504 -8.740 -1.989 98 HG2 LYS 16 1HG LYS 16 11.792 -7.661 -3.994 99 HG3 LYS 16 2HG LYS 16 12.872 -6.446 -3.308 100 HD2 LYS 16 1HD LYS 16 13.624 -9.350 -3.551 101 HD3 LYS 16 2HD LYS 16 13.945 -8.168 -4.823 102 HE2 LYS 16 1HE LYS 16 15.112 -6.799 -3.009 103 HE3 LYS 16 2HE LYS 16 15.048 -8.263 -2.029 104 HZ1 LYS 16 1HZ LYS 16 17.131 -7.841 -3.409 105 HZ2 LYS 16 2HZ LYS 16 16.201 -8.291 -4.748 106 HZ3 LYS 16 3HZ LYS 16 16.449 -9.388 -3.484 107 H LYS 17 H LYS 17 9.120 -7.739 -1.523 108 HA LYS 17 HA LYS 17 7.528 -8.790 -0.280 109 HB2 LYS 17 1HB LYS 17 9.647 -9.180 1.835 110 HB3 LYS 17 2HB LYS 17 8.177 -10.119 1.607 111 HG2 LYS 17 1HG LYS 17 9.112 -10.808 -0.633 112 HG3 LYS 17 2HG LYS 17 10.638 -10.088 -0.115 113 HD2 LYS 17 1HD LYS 17 9.307 -12.016 1.717 114 HD3 LYS 17 2HD LYS 17 10.097 -12.654 0.273 115 HE2 LYS 17 1HE LYS 17 12.190 -11.676 0.914 116 HE3 LYS 17 2HE LYS 17 11.433 -10.816 2.253 117 HZ1 LYS 17 1HZ LYS 17 11.841 -12.557 3.532 118 HZ2 LYS 17 2HZ LYS 17 12.518 -13.404 2.234 119 HZ3 LYS 17 3HZ LYS 17 10.861 -13.529 2.554 120 H MET 18 H MET 18 8.222 -5.901 0.026 121 HA MET 18 HA MET 18 7.017 -5.456 2.678 122 HB2 MET 18 1HB MET 18 8.236 -3.498 2.940 123 HB3 MET 18 2HB MET 18 9.390 -4.547 2.127 124 HG2 MET 18 1HG MET 18 8.999 -3.471 0.033 125 HG3 MET 18 2HG MET 18 7.658 -2.545 0.703 126 HE1 MET 18 1HE MET 18 9.645 0.373 0.142 127 HE2 MET 18 2HE MET 18 10.675 -0.816 -0.656 128 HE3 MET 18 3HE MET 18 8.919 -0.970 -0.742 129 H LYS 19 H LYS 19 6.068 -3.003 2.574 130 HA LYS 19 HA LYS 19 4.225 -2.984 0.274 131 HB2 LYS 19 1HB LYS 19 3.729 -2.313 3.172 132 HB3 LYS 19 2HB LYS 19 2.629 -1.829 1.888 133 HG2 LYS 19 1HG LYS 19 3.397 -4.657 2.579 134 HG3 LYS 19 2HG LYS 19 1.874 -3.863 2.985 135 HD2 LYS 19 1HD LYS 19 1.471 -3.538 0.548 136 HD3 LYS 19 2HD LYS 19 2.920 -4.493 0.226 137 HE2 LYS 19 1HE LYS 19 0.647 -5.534 1.895 138 HE3 LYS 19 2HE LYS 19 0.678 -5.705 0.141 139 HZ1 LYS 19 1HZ LYS 19 1.572 -7.673 1.102 140 HZ2 LYS 19 2HZ LYS 19 2.641 -6.799 2.079 141 HZ3 LYS 19 3HZ LYS 19 2.860 -6.828 0.401 142 H LEU 20 H LEU 20 3.506 -0.925 -0.477 143 HA LEU 20 HA LEU 20 4.549 1.516 0.537 144 HB2 LEU 20 1HB LEU 20 6.303 1.977 -0.816 145 HB3 LEU 20 2HB LEU 20 6.464 0.223 -0.762 146 HG LEU 20 HG LEU 20 4.919 0.427 -2.931 147 HD11 LEU 20 1HD1 LEU 20 6.179 2.440 -4.151 148 HD12 LEU 20 2HD1 LEU 20 6.105 3.104 -2.519 149 HD13 LEU 20 3HD1 LEU 20 4.621 2.632 -3.346 150 HD21 LEU 20 1HD2 LEU 20 6.912 -0.776 -3.066 151 HD22 LEU 20 2HD2 LEU 20 7.898 0.625 -2.643 152 HD23 LEU 20 3HD2 LEU 20 7.131 0.532 -4.229 153 H GLU 21 H GLU 21 3.554 3.290 -0.368 154 HA GLU 21 HA GLU 21 1.238 2.728 -1.993 155 HB2 GLU 21 1HB GLU 21 2.296 5.299 -0.810 156 HB3 GLU 21 2HB GLU 21 0.789 5.174 -1.707 157 HG2 GLU 21 1HG GLU 21 0.017 3.504 -0.019 158 HG3 GLU 21 2HG GLU 21 1.463 3.874 0.918 159 H VAL 22 H VAL 22 1.358 2.604 -4.127 160 HA VAL 22 HA VAL 22 3.326 4.285 -5.535 161 HB VAL 22 HB VAL 22 2.024 1.733 -6.498 162 HG11 VAL 22 1HG1 VAL 22 4.439 2.889 -7.776 163 HG12 VAL 22 2HG1 VAL 22 3.112 1.966 -8.484 164 HG13 VAL 22 3HG1 VAL 22 2.892 3.672 -8.095 165 HG21 VAL 22 1HG2 VAL 22 4.881 2.178 -5.646 166 HG22 VAL 22 2HG2 VAL 22 3.646 1.444 -4.623 167 HG23 VAL 22 3HG2 VAL 22 4.132 0.654 -6.123 168 H VAL 23 H VAL 23 2.687 5.609 -7.171 169 HA VAL 23 HA VAL 23 -0.126 6.237 -7.324 170 HB VAL 23 HB VAL 23 2.230 7.448 -8.778 171 HG11 VAL 23 1HG1 VAL 23 -0.305 8.933 -8.462 172 HG12 VAL 23 2HG1 VAL 23 0.853 8.930 -9.793 173 HG13 VAL 23 3HG1 VAL 23 -0.306 7.611 -9.629 174 HG21 VAL 23 1HG2 VAL 23 2.533 8.838 -7.041 175 HG22 VAL 23 2HG2 VAL 23 0.803 9.009 -6.746 176 HG23 VAL 23 3HG2 VAL 23 1.671 7.608 -6.118 177 H ASP 24 H ASP 24 -1.510 5.470 -8.771 178 HA ASP 24 HA ASP 24 -0.793 3.574 -10.723 179 HB2 ASP 24 1HB ASP 24 -3.064 3.894 -9.601 180 HB3 ASP 24 2HB ASP 24 -3.337 5.194 -10.758 181 H LYS 25 H LYS 25 0.296 3.947 -12.528 182 HA LYS 25 HA LYS 25 0.950 6.339 -13.667 183 HB2 LYS 25 1HB LYS 25 0.400 4.086 -15.537 184 HB3 LYS 25 2HB LYS 25 1.800 5.147 -15.439 185 HG2 LYS 25 1HG LYS 25 1.151 2.784 -13.700 186 HG3 LYS 25 2HG LYS 25 2.516 2.985 -14.801 187 HD2 LYS 25 1HD LYS 25 2.130 4.891 -12.528 188 HD3 LYS 25 2HD LYS 25 2.863 3.311 -12.241 189 HE2 LYS 25 1HE LYS 25 3.831 5.335 -14.258 190 HE3 LYS 25 2HE LYS 25 4.529 5.088 -12.658 191 HZ1 LYS 25 1HZ LYS 25 4.974 3.626 -15.053 192 HZ2 LYS 25 2HZ LYS 25 4.454 2.596 -13.817 193 HZ3 LYS 25 3HZ LYS 25 5.821 3.566 -13.590 194 H ARG 26 H ARG 26 -1.691 4.234 -14.826 195 HA ARG 26 HA ARG 26 -2.734 6.052 -16.682 196 HB2 ARG 26 1HB ARG 26 -4.624 4.222 -15.306 197 HB3 ARG 26 2HB ARG 26 -4.393 4.519 -17.024 198 HG2 ARG 26 1HG ARG 26 -2.202 3.253 -16.792 199 HG3 ARG 26 2HG ARG 26 -2.796 2.743 -15.211 200 HD2 ARG 26 1HD ARG 26 -3.296 1.063 -16.896 201 HD3 ARG 26 2HD ARG 26 -4.782 1.780 -16.274 202 HE ARG 26 HE ARG 26 -4.233 3.258 -18.482 203 HH11 ARG 26 2HH1 ARG 26 -4.559 -0.155 -17.877 204 HH12 ARG 26 1HH1 ARG 26 -5.143 -0.514 -19.468 205 HH21 ARG 26 2HH2 ARG 26 -5.001 2.798 -20.580 206 HH22 ARG 26 1HH2 ARG 26 -5.393 1.166 -21.005 207 H ASN 27 H ASN 27 -3.119 5.810 -13.238 208 HA ASN 27 HA ASN 27 -4.847 8.187 -13.309 209 HB2 ASN 27 1HB ASN 27 -5.319 5.591 -11.933 210 HB3 ASN 27 2HB ASN 27 -5.759 7.056 -11.061 211 HD21 ASN 27 1HD2 ASN 27 -7.190 4.766 -12.572 212 HD22 ASN 27 2HD2 ASN 27 -8.394 5.604 -13.484 213 HA PRO 28 HA PRO 28 -1.204 9.187 -10.748 214 HB2 PRO 28 1HB PRO 28 -1.301 11.845 -11.290 215 HB3 PRO 28 2HB PRO 28 -0.532 10.672 -12.367 216 HG2 PRO 28 1HG PRO 28 -3.252 11.909 -12.546 217 HG3 PRO 28 2HG PRO 28 -2.066 11.623 -13.832 218 HD2 PRO 28 1HD PRO 28 -4.196 10.001 -13.428 219 HD3 PRO 28 2HD PRO 28 -2.642 9.401 -14.043 220 H MET 29 H MET 29 -4.472 10.388 -10.791 221 HA MET 29 HA MET 29 -4.183 11.746 -8.238 222 HB2 MET 29 1HB MET 29 -6.532 11.357 -10.093 223 HB3 MET 29 2HB MET 29 -6.654 12.175 -8.541 224 HG2 MET 29 1HG MET 29 -5.241 13.930 -9.247 225 HG3 MET 29 2HG MET 29 -4.745 13.044 -10.687 226 HE1 MET 29 1HE MET 29 -6.228 15.277 -12.859 227 HE2 MET 29 2HE MET 29 -5.055 14.024 -12.456 228 HE3 MET 29 3HE MET 29 -6.560 13.594 -13.268 229 H PHE 30 H PHE 30 -4.051 8.699 -8.788 230 HA PHE 30 HA PHE 30 -5.726 7.977 -6.491 231 HB2 PHE 30 1HB PHE 30 -5.608 6.534 -9.140 232 HB3 PHE 30 2HB PHE 30 -6.219 5.784 -7.668 233 HD1 PHE 30 2HD PHE 30 -6.781 8.499 -10.100 234 HD2 PHE 30 1HD PHE 30 -8.391 6.250 -6.864 235 HE1 PHE 30 2HE PHE 30 -9.001 9.465 -10.537 236 HE2 PHE 30 1HE PHE 30 -10.614 7.212 -7.297 237 HZ PHE 30 HZ PHE 30 -10.921 8.822 -9.134 238 H ILE 31 H ILE 31 -4.637 6.890 -4.987 239 HA ILE 31 HA ILE 31 -2.162 5.500 -5.781 240 HB ILE 31 HB ILE 31 -2.613 7.074 -3.243 241 HG12 ILE 31 1HG1 ILE 31 -0.502 7.633 -5.302 242 HG13 ILE 31 2HG1 ILE 31 -2.134 8.256 -5.520 243 HG21 ILE 31 1HG2 ILE 31 -0.138 5.624 -4.168 244 HG22 ILE 31 2HG2 ILE 31 -0.340 6.517 -2.661 245 HG23 ILE 31 3HG2 ILE 31 -1.252 5.032 -2.935 246 HD11 ILE 31 1HD1 ILE 31 -0.220 8.860 -3.287 247 HD12 ILE 31 2HD1 ILE 31 -0.849 9.965 -4.510 248 HD13 ILE 31 3HD1 ILE 31 -1.921 9.323 -3.266 249 H ARG 32 H ARG 32 -1.870 3.481 -5.010 250 HA ARG 32 HA ARG 32 -3.677 2.512 -2.907 251 HB2 ARG 32 1HB ARG 32 -3.054 1.019 -5.462 252 HB3 ARG 32 2HB ARG 32 -4.060 0.441 -4.140 253 HG2 ARG 32 1HG ARG 32 -5.823 1.766 -4.714 254 HG3 ARG 32 2HG ARG 32 -4.797 3.009 -5.432 255 HD2 ARG 32 1HD ARG 32 -5.838 2.043 -7.274 256 HD3 ARG 32 2HD ARG 32 -4.270 1.237 -7.222 257 HE ARG 32 HE ARG 32 -5.775 -0.459 -5.821 258 HH11 ARG 32 2HH1 ARG 32 -6.358 1.139 -8.858 259 HH12 ARG 32 1HH1 ARG 32 -7.350 -0.135 -9.487 260 HH21 ARG 32 2HH2 ARG 32 -7.079 -2.143 -6.637 261 HH22 ARG 32 1HH2 ARG 32 -7.761 -2.001 -8.222 262 H VAL 33 H VAL 33 -2.936 0.139 -2.326 263 HA VAL 33 HA VAL 33 -0.253 0.383 -1.362 264 HB VAL 33 HB VAL 33 -2.260 -1.862 -1.192 265 HG11 VAL 33 1HG1 VAL 33 0.601 -1.752 -0.387 266 HG12 VAL 33 2HG1 VAL 33 -0.539 -2.571 0.683 267 HG13 VAL 33 3HG1 VAL 33 -0.354 -3.107 -0.988 268 HG21 VAL 33 1HG2 VAL 33 -1.818 0.539 0.290 269 HG22 VAL 33 2HG2 VAL 33 -3.060 -0.692 0.518 270 HG23 VAL 33 3HG2 VAL 33 -1.503 -0.849 1.331 271 H ALA 34 H ALA 34 1.527 -0.936 -1.831 272 HA ALA 34 HA ALA 34 1.335 -2.624 -4.222 273 HB1 ALA 34 1HB ALA 34 3.070 -1.584 -5.360 274 HB2 ALA 34 2HB ALA 34 2.163 -0.225 -4.694 275 HB3 ALA 34 3HB ALA 34 3.654 -0.756 -3.916 276 H THR 35 H THR 35 3.224 -4.044 -4.498 277 HA THR 35 HA THR 35 4.639 -4.577 -1.974 278 HB THR 35 HB THR 35 3.426 -6.690 -3.766 279 HG1 THR 35 1HG THR 35 2.322 -7.011 -1.546 280 HG21 THR 35 1HG2 THR 35 4.470 -7.294 -1.054 281 HG22 THR 35 2HG2 THR 35 5.653 -7.022 -2.333 282 HG23 THR 35 3HG2 THR 35 4.444 -8.294 -2.506 283 H VAL 36 H VAL 36 6.741 -4.341 -2.326 284 HA VAL 36 HA VAL 36 7.931 -4.311 -4.888 285 HB VAL 36 HB VAL 36 9.367 -4.714 -2.263 286 HG11 VAL 36 1HG1 VAL 36 10.202 -4.296 -5.009 287 HG12 VAL 36 2HG1 VAL 36 10.859 -3.075 -3.919 288 HG13 VAL 36 3HG1 VAL 36 11.146 -4.786 -3.604 289 HG21 VAL 36 1HG2 VAL 36 7.850 -2.806 -2.097 290 HG22 VAL 36 2HG2 VAL 36 9.533 -2.279 -2.132 291 HG23 VAL 36 3HG2 VAL 36 8.532 -2.128 -3.576 292 H ALA 37 H ALA 37 7.844 -6.124 -6.092 293 HA ALA 37 HA ALA 37 8.226 -8.742 -4.965 294 HB1 ALA 37 1HB ALA 37 8.452 -8.790 -7.801 295 HB2 ALA 37 2HB ALA 37 7.121 -9.350 -6.788 296 HB3 ALA 37 3HB ALA 37 7.153 -7.681 -7.358 297 H ASP 38 H ASP 38 10.046 -6.732 -7.279 298 HA ASP 38 HA ASP 38 12.505 -8.049 -6.374 299 HB2 ASP 38 1HB ASP 38 11.470 -8.896 -8.657 300 HB3 ASP 38 2HB ASP 38 12.226 -7.434 -9.284 301 H THR 39 H THR 39 14.302 -6.754 -6.315 302 HA THR 39 HA THR 39 13.860 -3.918 -6.983 303 HB THR 39 HB THR 39 15.597 -3.426 -5.244 304 HG1 THR 39 1HG THR 39 16.399 -5.027 -4.031 305 HG21 THR 39 1HG2 THR 39 14.061 -4.089 -3.286 306 HG22 THR 39 2HG2 THR 39 13.002 -4.757 -4.528 307 HG23 THR 39 3HG2 THR 39 13.400 -3.039 -4.538 308 H ASP 40 H ASP 40 14.893 -3.404 -8.797 309 HA ASP 40 HA ASP 40 17.264 -4.824 -9.640 310 HB2 ASP 40 1HB ASP 40 15.323 -3.872 -11.113 311 HB3 ASP 40 2HB ASP 40 16.225 -2.363 -11.004 312 H ASP 41 H ASP 41 18.924 -3.122 -10.770 313 HA ASP 41 HA ASP 41 20.557 -2.166 -8.796 314 HB2 ASP 41 1HB ASP 41 20.232 -1.372 -11.674 315 HB3 ASP 41 2HB ASP 41 21.403 -0.546 -10.649 316 H HIS 42 H HIS 42 18.539 -0.039 -10.832 317 HA HIS 42 HA HIS 42 18.253 1.747 -8.507 318 HB2 HIS 42 1HB HIS 42 18.252 2.820 -11.306 319 HB3 HIS 42 2HB HIS 42 18.623 3.649 -9.797 320 HD1 HIS 42 1HD HIS 42 21.036 3.874 -9.215 321 HD2 HIS 42 2HD HIS 42 20.385 1.003 -12.146 322 HE1 HIS 42 1HE HIS 42 23.324 3.168 -9.984 323 HE2 HIS 42 2HE HIS 42 22.904 1.493 -11.817 324 H ARG 43 H ARG 43 16.498 -0.386 -9.487 325 HA ARG 43 HA ARG 43 14.069 1.210 -9.705 326 HB2 ARG 43 1HB ARG 43 14.553 -1.103 -11.582 327 HB3 ARG 43 2HB ARG 43 13.198 0.018 -11.587 328 HG2 ARG 43 1HG ARG 43 15.018 1.818 -12.005 329 HG3 ARG 43 2HG ARG 43 16.007 0.442 -12.501 330 HD2 ARG 43 1HD ARG 43 14.278 -0.198 -14.122 331 HD3 ARG 43 2HD ARG 43 13.315 1.197 -13.635 332 HE ARG 43 HE ARG 43 15.751 2.221 -14.374 333 HH11 ARG 43 2HH1 ARG 43 13.278 0.299 -15.893 334 HH12 ARG 43 1HH1 ARG 43 13.604 0.901 -17.485 335 HH21 ARG 43 2HH2 ARG 43 16.190 3.022 -16.465 336 HH22 ARG 43 1HH2 ARG 43 15.261 2.449 -17.809 337 H VAL 44 H VAL 44 12.092 -0.245 -9.509 338 HA VAL 44 HA VAL 44 12.543 -2.752 -8.119 339 HB VAL 44 HB VAL 44 11.241 -2.111 -6.138 340 HG11 VAL 44 1HG1 VAL 44 13.775 -1.914 -6.290 341 HG12 VAL 44 2HG1 VAL 44 13.520 -0.173 -6.425 342 HG13 VAL 44 3HG1 VAL 44 12.983 -1.035 -4.983 343 HG21 VAL 44 1HG2 VAL 44 10.834 0.311 -7.691 344 HG22 VAL 44 2HG2 VAL 44 9.916 -0.323 -6.326 345 HG23 VAL 44 3HG2 VAL 44 11.361 0.646 -6.042 346 H LYS 45 H LYS 45 11.092 -4.132 -8.872 347 HA LYS 45 HA LYS 45 8.838 -3.292 -10.397 348 HB2 LYS 45 1HB LYS 45 10.168 -5.423 -10.724 349 HB3 LYS 45 2HB LYS 45 9.345 -6.061 -9.307 350 HG2 LYS 45 1HG LYS 45 7.246 -6.015 -10.383 351 HG3 LYS 45 2HG LYS 45 7.867 -5.029 -11.709 352 HD2 LYS 45 1HD LYS 45 9.474 -7.032 -12.103 353 HD3 LYS 45 2HD LYS 45 8.299 -7.937 -11.145 354 HE2 LYS 45 1HE LYS 45 6.526 -7.211 -12.708 355 HE3 LYS 45 2HE LYS 45 7.751 -6.403 -13.685 356 HZ1 LYS 45 1HZ LYS 45 7.800 -8.348 -14.766 357 HZ2 LYS 45 2HZ LYS 45 7.105 -9.214 -13.490 358 HZ3 LYS 45 3HZ LYS 45 8.763 -8.875 -13.478 359 H VAL 46 H VAL 46 7.104 -2.406 -9.483 360 HA VAL 46 HA VAL 46 6.262 -3.254 -6.818 361 HB VAL 46 HB VAL 46 4.584 -1.372 -7.079 362 HG11 VAL 46 1HG1 VAL 46 6.053 0.043 -6.110 363 HG12 VAL 46 2HG1 VAL 46 7.119 -1.363 -6.167 364 HG13 VAL 46 3HG1 VAL 46 7.231 -0.118 -7.412 365 HG21 VAL 46 1HG2 VAL 46 6.141 -0.013 -9.108 366 HG22 VAL 46 2HG2 VAL 46 5.386 -1.479 -9.733 367 HG23 VAL 46 3HG2 VAL 46 4.395 -0.228 -8.983 368 H HIS 47 H HIS 47 4.782 -4.783 -6.584 369 HA HIS 47 HA HIS 47 2.939 -5.327 -8.808 370 HB2 HIS 47 1HB HIS 47 4.179 -7.282 -8.288 371 HB3 HIS 47 2HB HIS 47 3.964 -7.050 -6.555 372 HD1 HIS 47 1HD HIS 47 2.545 -8.780 -9.422 373 HD2 HIS 47 2HD HIS 47 1.204 -7.525 -5.696 374 HE1 HIS 47 1HE HIS 47 0.431 -10.074 -8.998 375 HE2 HIS 47 2HE HIS 47 -0.408 -9.235 -6.776 376 H PHE 48 H PHE 48 0.914 -4.667 -8.603 377 HA PHE 48 HA PHE 48 -0.083 -3.751 -6.051 378 HB2 PHE 48 1HB PHE 48 -1.193 -3.734 -8.852 379 HB3 PHE 48 2HB PHE 48 -2.164 -3.245 -7.467 380 HD1 PHE 48 1HD PHE 48 1.352 -2.611 -8.556 381 HD2 PHE 48 2HD PHE 48 -2.382 -0.973 -7.335 382 HE1 PHE 48 1HE PHE 48 2.304 -0.347 -8.694 383 HE2 PHE 48 2HE PHE 48 -1.436 1.294 -7.472 384 HZ PHE 48 HZ PHE 48 0.910 1.610 -8.153 385 H ASP 49 H ASP 49 -0.354 -5.567 -4.780 386 HA ASP 49 HA ASP 49 -1.353 -8.023 -5.375 387 HB2 ASP 49 1HB ASP 49 -0.651 -6.888 -3.082 388 HB3 ASP 49 2HB ASP 49 -2.396 -6.737 -2.893 389 H GLY 50 H GLY 50 -3.253 -8.911 -5.942 390 HA2 GLY 50 1HA GLY 50 -5.633 -9.051 -5.921 391 HA3 GLY 50 2HA GLY 50 -5.702 -7.315 -5.654 392 H TRP 51 H TRP 51 -3.862 -6.583 -7.715 393 HA TRP 51 HA TRP 51 -5.618 -6.337 -9.883 394 HB2 TRP 51 1HB TRP 51 -2.623 -5.974 -9.711 395 HB3 TRP 51 2HB TRP 51 -3.572 -5.559 -11.136 396 HD1 TRP 51 HD TRP 51 -4.374 -4.791 -7.417 397 HE1 TRP 51 1HE TRP 51 -4.694 -2.247 -7.188 398 HE3 TRP 51 3HE TRP 51 -3.267 -3.397 -12.210 399 HZ2 TRP 51 2HZ TRP 51 -4.503 0.046 -8.822 400 HZ3 TRP 51 3HZ TRP 51 -3.359 -1.009 -12.795 401 HH2 TRP 51 HH TRP 51 -3.965 0.675 -11.135 402 H ASN 52 H ASN 52 -5.044 -7.035 -12.163 403 HA ASN 52 HA ASN 52 -4.103 -9.827 -12.158 404 HB2 ASN 52 1HB ASN 52 -6.671 -9.224 -12.526 405 HB3 ASN 52 2HB ASN 52 -6.115 -8.949 -14.175 406 HD21 ASN 52 1HD2 ASN 52 -7.885 -10.833 -13.997 407 HD22 ASN 52 2HD2 ASN 52 -7.192 -12.413 -14.082 408 H ASN 53 H ASN 53 -3.980 -10.422 -14.746 409 HA ASN 53 HA ASN 53 -2.465 -10.310 -16.459 410 HB2 ASN 53 1HB ASN 53 -4.392 -8.684 -17.033 411 HB3 ASN 53 2HB ASN 53 -3.234 -7.409 -16.669 412 HD21 ASN 53 1HD2 ASN 53 -4.360 -9.595 -18.979 413 HD22 ASN 53 2HD2 ASN 53 -3.154 -9.321 -20.186 414 H CYS 54 H CYS 54 -1.139 -10.066 -14.083 415 HA CYS 54 HA CYS 54 0.627 -9.045 -12.982 416 HB2 CYS 54 1HB CYS 54 1.407 -9.826 -15.742 417 HB3 CYS 54 2HB CYS 54 2.570 -8.882 -14.821 418 HG CYS 54 HG CYS 54 2.870 -11.828 -14.812 419 H TYR 55 H TYR 55 -1.229 -7.070 -13.811 420 HA TYR 55 HA TYR 55 -0.510 -4.948 -15.277 421 HB2 TYR 55 1HB TYR 55 -1.830 -5.162 -12.619 422 HB3 TYR 55 2HB TYR 55 -1.340 -3.557 -13.151 423 HD1 TYR 55 1HD TYR 55 -1.997 -3.104 -15.741 424 HD2 TYR 55 2HD TYR 55 -3.995 -5.772 -13.096 425 HE1 TYR 55 1HE TYR 55 -4.031 -2.933 -17.114 426 HE2 TYR 55 2HE TYR 55 -6.033 -5.610 -14.463 427 HH TYR 55 HH TYR 55 -7.064 -4.335 -16.088 428 H ASP 56 H ASP 56 1.113 -6.033 -12.399 429 HA ASP 56 HA ASP 56 2.522 -3.949 -11.454 430 HB2 ASP 56 1HB ASP 56 4.124 -6.374 -12.148 431 HB3 ASP 56 2HB ASP 56 4.088 -5.446 -10.652 432 H TYR 57 H TYR 57 4.666 -3.081 -11.879 433 HA TYR 57 HA TYR 57 5.759 -3.370 -14.538 434 HB2 TYR 57 1HB TYR 57 5.630 -0.812 -14.859 435 HB3 TYR 57 2HB TYR 57 4.184 -1.761 -15.185 436 HD1 TYR 57 2HD TYR 57 5.817 0.249 -12.507 437 HD2 TYR 57 1HD TYR 57 2.172 -1.201 -14.154 438 HE1 TYR 57 2HE TYR 57 4.554 1.642 -10.922 439 HE2 TYR 57 1HE TYR 57 0.898 0.189 -12.574 440 HH TYR 57 HH TYR 57 1.718 1.259 -9.991 441 H TRP 58 H TRP 58 7.801 -2.275 -14.797 442 HA TRP 58 HA TRP 58 9.297 -2.220 -12.339 443 HB2 TRP 58 1HB TRP 58 9.954 -2.071 -15.248 444 HB3 TRP 58 2HB TRP 58 11.142 -1.476 -14.092 445 HD1 TRP 58 HD TRP 58 10.058 -4.582 -15.753 446 HE1 TRP 58 1HE TRP 58 11.163 -6.632 -14.658 447 HE3 TRP 58 3HE TRP 58 11.853 -2.368 -11.509 448 HZ2 TRP 58 2HZ TRP 58 12.604 -7.232 -12.306 449 HZ3 TRP 58 3HZ TRP 58 13.083 -3.750 -9.887 450 HH2 TRP 58 HH TRP 58 13.449 -6.132 -10.279 451 H ILE 59 H ILE 59 9.121 -0.483 -11.072 452 HA ILE 59 HA ILE 59 9.185 2.178 -12.336 453 HB ILE 59 HB ILE 59 7.153 1.553 -10.942 454 HG12 ILE 59 1HG1 ILE 59 8.656 3.947 -9.886 455 HG13 ILE 59 2HG1 ILE 59 7.981 3.899 -11.512 456 HG21 ILE 59 1HG2 ILE 59 9.226 1.717 -8.767 457 HG22 ILE 59 2HG2 ILE 59 7.497 1.887 -8.467 458 HG23 ILE 59 3HG2 ILE 59 8.133 0.382 -9.130 459 HD11 ILE 59 1HD1 ILE 59 5.859 4.126 -10.781 460 HD12 ILE 59 2HD1 ILE 59 6.154 3.222 -9.296 461 HD13 ILE 59 3HD1 ILE 59 6.675 4.901 -9.423 462 H ASP 60 H ASP 60 10.648 3.689 -11.659 463 HA ASP 60 HA ASP 60 13.072 2.788 -10.538 464 HB2 ASP 60 1HB ASP 60 11.994 5.565 -11.035 465 HB3 ASP 60 2HB ASP 60 13.622 5.260 -10.435 466 H ALA 61 H ALA 61 13.769 2.652 -8.500 467 HA ALA 61 HA ALA 61 12.007 2.930 -6.322 468 HB1 ALA 61 1HB ALA 61 14.834 3.016 -5.611 469 HB2 ALA 61 2HB ALA 61 13.591 1.837 -5.186 470 HB3 ALA 61 3HB ALA 61 14.432 1.715 -6.732 471 H ASP 62 H ASP 62 14.126 5.165 -7.883 472 HA ASP 62 HA ASP 62 13.928 7.061 -5.658 473 HB2 ASP 62 1HB ASP 62 15.740 6.759 -8.001 474 HB3 ASP 62 2HB ASP 62 15.439 8.392 -7.413 475 H SER 63 H SER 63 11.774 6.259 -7.662 476 HA SER 63 HA SER 63 11.290 8.641 -9.198 477 HB2 SER 63 1HB SER 63 10.544 6.208 -9.726 478 HB3 SER 63 2HB SER 63 9.207 6.548 -8.626 479 HG SER 63 HG SER 63 9.886 8.034 -10.950 480 HA PRO 64 HA PRO 64 9.227 10.987 -6.092 481 HB2 PRO 64 1HB PRO 64 7.840 12.671 -7.708 482 HB3 PRO 64 2HB PRO 64 9.584 12.805 -7.451 483 HG2 PRO 64 1HG PRO 64 8.097 11.559 -9.730 484 HG3 PRO 64 2HG PRO 64 9.531 12.601 -9.766 485 HD2 PRO 64 1HD PRO 64 9.680 9.909 -10.020 486 HD3 PRO 64 2HD PRO 64 10.959 10.868 -9.247 487 H ASP 65 H ASP 65 7.505 9.281 -8.592 488 HA ASP 65 HA ASP 65 4.879 9.765 -7.585 489 HB2 ASP 65 1HB ASP 65 5.538 7.334 -9.202 490 HB3 ASP 65 2HB ASP 65 4.124 8.383 -9.285 491 H ILE 66 H ILE 66 7.393 7.472 -6.885 492 HA ILE 66 HA ILE 66 5.721 5.581 -5.535 493 HB ILE 66 HB ILE 66 8.702 5.986 -5.616 494 HG12 ILE 66 1HG1 ILE 66 6.919 3.746 -6.596 495 HG13 ILE 66 2HG1 ILE 66 7.588 5.023 -7.605 496 HG21 ILE 66 1HG2 ILE 66 8.737 5.025 -3.582 497 HG22 ILE 66 2HG2 ILE 66 7.093 4.405 -3.731 498 HG23 ILE 66 3HG2 ILE 66 8.433 3.545 -4.489 499 HD11 ILE 66 1HD1 ILE 66 9.221 3.564 -8.010 500 HD12 ILE 66 2HD1 ILE 66 9.822 4.017 -6.414 501 HD13 ILE 66 3HD1 ILE 66 8.820 2.579 -6.604 502 H HIS 67 H HIS 67 4.982 5.640 -3.516 503 HA HIS 67 HA HIS 67 6.271 7.455 -1.591 504 HB2 HIS 67 1HB HIS 67 3.289 7.034 -1.871 505 HB3 HIS 67 2HB HIS 67 4.090 8.097 -0.717 506 HD1 HIS 67 1HD HIS 67 5.602 10.055 -1.974 507 HD2 HIS 67 2HD HIS 67 2.499 8.311 -4.117 508 HE1 HIS 67 1HE HIS 67 5.097 11.654 -3.848 509 HE2 HIS 67 2HE HIS 67 3.161 10.618 -5.081 510 HA PRO 68 HA PRO 68 6.407 3.939 1.053 511 HB2 PRO 68 1HB PRO 68 6.633 5.207 3.443 512 HB3 PRO 68 2HB PRO 68 7.959 5.109 2.278 513 HG2 PRO 68 1HG PRO 68 6.053 7.359 2.791 514 HG3 PRO 68 2HG PRO 68 7.804 7.416 2.521 515 HD2 PRO 68 1HD PRO 68 6.010 7.990 0.576 516 HD3 PRO 68 2HD PRO 68 7.584 7.243 0.233 517 H VAL 69 H VAL 69 5.292 2.959 2.911 518 HA VAL 69 HA VAL 69 2.485 3.170 2.683 519 HB VAL 69 HB VAL 69 4.248 1.753 4.671 520 HG11 VAL 69 1HG1 VAL 69 1.679 0.672 4.846 521 HG12 VAL 69 2HG1 VAL 69 2.531 1.606 6.077 522 HG13 VAL 69 3HG1 VAL 69 1.458 2.419 4.938 523 HG21 VAL 69 1HG2 VAL 69 4.375 0.402 2.878 524 HG22 VAL 69 2HG2 VAL 69 2.772 -0.129 3.390 525 HG23 VAL 69 3HG2 VAL 69 2.936 1.092 2.127 526 H GLY 70 H GLY 70 1.591 5.097 3.228 527 HA2 GLY 70 1HA GLY 70 0.506 5.990 5.316 528 HA3 GLY 70 2HA GLY 70 2.141 6.105 5.950 529 H TRP 71 H TRP 71 1.914 6.806 2.637 530 HA TRP 71 HA TRP 71 2.620 9.551 3.101 531 HB2 TRP 71 1HB TRP 71 3.758 8.645 1.280 532 HB3 TRP 71 2HB TRP 71 2.328 7.816 0.672 533 HD1 TRP 71 HD TRP 71 4.381 10.821 0.075 534 HE1 TRP 71 1HE TRP 71 3.196 12.420 -1.558 535 HE3 TRP 71 3HE TRP 71 -0.283 8.727 0.128 536 HZ2 TRP 71 2HZ TRP 71 0.625 12.749 -2.675 537 HZ3 TRP 71 3HZ TRP 71 -2.048 9.745 -1.250 538 HH2 TRP 71 HH TRP 71 -1.602 11.715 -2.622 539 H CYS 72 H CYS 72 -0.288 7.849 2.636 540 HA CYS 72 HA CYS 72 -1.826 9.802 1.300 541 HB2 CYS 72 1HB CYS 72 -3.779 8.572 2.209 542 HB3 CYS 72 2HB CYS 72 -2.596 7.507 1.460 543 HG CYS 72 HG CYS 72 -2.010 6.086 3.552 544 H SER 73 H SER 73 -0.914 9.371 4.643 545 HA SER 73 HA SER 73 -2.774 11.371 5.599 546 HB2 SER 73 1HB SER 73 -1.828 9.259 6.856 547 HB3 SER 73 2HB SER 73 -0.497 10.345 7.252 548 HG SER 73 HG SER 73 -1.743 11.132 8.734 549 H LYS 74 H LYS 74 0.778 11.068 5.782 550 HA LYS 74 HA LYS 74 1.553 13.486 6.613 551 HB2 LYS 74 1HB LYS 74 3.596 13.202 5.496 552 HB3 LYS 74 2HB LYS 74 2.989 11.565 5.703 553 HG2 LYS 74 1HG LYS 74 2.059 11.767 3.353 554 HG3 LYS 74 2HG LYS 74 3.039 13.228 3.204 555 HD2 LYS 74 1HD LYS 74 4.218 10.600 4.064 556 HD3 LYS 74 2HD LYS 74 4.054 11.038 2.362 557 HE2 LYS 74 1HE LYS 74 5.414 13.017 2.717 558 HE3 LYS 74 2HE LYS 74 5.519 12.663 4.440 559 HZ1 LYS 74 1HZ LYS 74 6.901 11.410 2.198 560 HZ2 LYS 74 2HZ LYS 74 6.456 10.401 3.479 561 HZ3 LYS 74 3HZ LYS 74 7.454 11.737 3.763 562 H THR 75 H THR 75 0.233 12.804 3.426 563 HA THR 75 HA THR 75 0.472 15.632 2.692 564 HB THR 75 HB THR 75 0.017 15.005 0.438 565 HG1 THR 75 1HG THR 75 -0.686 12.464 1.520 566 HG21 THR 75 1HG2 THR 75 1.776 13.374 -0.031 567 HG22 THR 75 2HG2 THR 75 1.785 12.884 1.663 568 HG23 THR 75 3HG2 THR 75 2.293 14.511 1.214 569 H GLY 76 H GLY 76 -1.934 13.054 3.053 570 HA2 GLY 76 1HA GLY 76 -4.087 13.506 4.003 571 HA3 GLY 76 2HA GLY 76 -3.984 15.140 3.365 572 H HIS 77 H HIS 77 -3.193 12.277 1.503 573 HA HIS 77 HA HIS 77 -5.422 12.919 -0.295 574 HB2 HIS 77 1HB HIS 77 -2.722 11.725 -0.671 575 HB3 HIS 77 2HB HIS 77 -4.007 11.171 -1.740 576 HD1 HIS 77 1HD HIS 77 -3.180 14.674 -0.497 577 HD2 HIS 77 2HD HIS 77 -3.654 12.550 -4.036 578 HE1 HIS 77 1HE HIS 77 -2.925 16.369 -2.338 579 HE2 HIS 77 2HE HIS 77 -3.301 15.076 -4.466 580 HA PRO 78 HA PRO 78 -7.617 9.281 0.844 581 HB2 PRO 78 1HB PRO 78 -9.050 8.896 -1.429 582 HB3 PRO 78 2HB PRO 78 -9.406 10.187 -0.276 583 HG2 PRO 78 1HG PRO 78 -7.894 10.315 -2.857 584 HG3 PRO 78 2HG PRO 78 -9.101 11.442 -2.210 585 HD2 PRO 78 1HD PRO 78 -6.438 11.916 -2.066 586 HD3 PRO 78 2HD PRO 78 -7.576 12.474 -0.822 587 H LEU 79 H LEU 79 -6.999 7.218 0.913 588 HA LEU 79 HA LEU 79 -5.404 6.146 -1.301 589 HB2 LEU 79 1HB LEU 79 -4.541 6.151 1.072 590 HB3 LEU 79 2HB LEU 79 -5.778 4.949 1.434 591 HG LEU 79 HG LEU 79 -4.683 3.559 -0.433 592 HD11 LEU 79 1HD1 LEU 79 -2.136 4.133 -0.406 593 HD12 LEU 79 2HD1 LEU 79 -2.710 5.763 -0.059 594 HD13 LEU 79 3HD1 LEU 79 -3.220 4.945 -1.536 595 HD21 LEU 79 1HD2 LEU 79 -4.551 2.854 1.834 596 HD22 LEU 79 2HD2 LEU 79 -3.366 4.102 2.221 597 HD23 LEU 79 3HD2 LEU 79 -2.922 2.759 1.165 598 H GLN 80 H GLN 80 -5.854 4.132 -2.226 599 HA GLN 80 HA GLN 80 -8.567 3.107 -1.706 600 HB2 GLN 80 1HB GLN 80 -7.100 3.264 -4.344 601 HB3 GLN 80 2HB GLN 80 -8.658 2.484 -4.105 602 HG2 GLN 80 1HG GLN 80 -8.162 5.389 -3.520 603 HG3 GLN 80 2HG GLN 80 -8.729 4.792 -5.079 604 HE21 GLN 80 1HE2 GLN 80 -9.512 5.206 -1.708 605 HE22 GLN 80 2HE2 GLN 80 -11.218 4.989 -1.873 606 HA PRO 81 HA PRO 81 -6.475 -0.678 -0.752 607 HB2 PRO 81 1HB PRO 81 -8.685 -2.247 -0.608 608 HB3 PRO 81 2HB PRO 81 -8.234 -1.104 0.663 609 HG2 PRO 81 1HG PRO 81 -10.245 -0.799 -1.534 610 HG3 PRO 81 2HG PRO 81 -10.377 -0.343 0.174 611 HD2 PRO 81 1HD PRO 81 -9.822 1.454 -1.774 612 HD3 PRO 81 2HD PRO 81 -9.186 1.608 -0.124 613 HA PRO 82 HA PRO 82 -6.019 -2.868 -4.543 614 HB2 PRO 82 1HB PRO 82 -5.397 -5.349 -3.633 615 HB3 PRO 82 2HB PRO 82 -4.277 -3.985 -3.546 616 HG2 PRO 82 1HG PRO 82 -6.050 -5.120 -1.417 617 HG3 PRO 82 2HG PRO 82 -4.363 -4.584 -1.300 618 HD2 PRO 82 1HD PRO 82 -6.439 -3.056 -0.470 619 HD3 PRO 82 2HD PRO 82 -4.949 -2.360 -1.141 620 H LEU 83 H LEU 83 -6.726 -4.950 -5.658 621 HA LEU 83 HA LEU 83 -9.494 -5.074 -5.805 622 HB2 LEU 83 1HB LEU 83 -7.260 -6.762 -6.778 623 HB3 LEU 83 2HB LEU 83 -8.876 -7.464 -6.809 624 HG LEU 83 HG LEU 83 -8.268 -6.494 -8.967 625 HD11 LEU 83 1HD1 LEU 83 -10.246 -4.529 -8.454 626 HD12 LEU 83 2HD1 LEU 83 -10.607 -5.940 -7.460 627 HD13 LEU 83 3HD1 LEU 83 -10.436 -6.114 -9.206 628 HD21 LEU 83 1HD2 LEU 83 -7.623 -4.314 -9.297 629 HD22 LEU 83 2HD2 LEU 83 -6.860 -4.657 -7.744 630 HD23 LEU 83 3HD2 LEU 83 -8.372 -3.750 -7.803 631 H SER 84 H SER 84 -10.898 -6.963 -5.385 632 HA SER 84 HA SER 84 -10.662 -7.764 -2.640 633 HB2 SER 84 1HB SER 84 -12.710 -8.111 -4.795 634 HB3 SER 84 2HB SER 84 -12.790 -9.144 -3.368 635 HG SER 84 HG SER 84 -12.444 -6.415 -2.945 636 HA PRO 85 HA PRO 85 -8.844 -11.737 -3.027 637 HB2 PRO 85 1HB PRO 85 -10.241 -13.188 -1.207 638 HB3 PRO 85 2HB PRO 85 -9.066 -11.950 -0.750 639 HG2 PRO 85 1HG PRO 85 -12.051 -11.768 -0.892 640 HG3 PRO 85 2HG PRO 85 -10.950 -11.148 0.352 641 HD2 PRO 85 1HD PRO 85 -12.006 -9.569 -1.578 642 HD3 PRO 85 2HD PRO 85 -10.394 -9.287 -0.889 643 H LEU 86 H LEU 86 -11.881 -11.127 -4.166 644 HA LEU 86 HA LEU 86 -12.276 -13.902 -5.070 645 HB2 LEU 86 1HB LEU 86 -14.634 -13.037 -5.590 646 HB3 LEU 86 2HB LEU 86 -14.204 -13.350 -3.910 647 HG LEU 86 HG LEU 86 -13.899 -10.579 -4.958 648 HD11 LEU 86 1HD1 LEU 86 -16.062 -10.176 -5.275 649 HD12 LEU 86 2HD1 LEU 86 -16.514 -11.036 -3.804 650 HD13 LEU 86 3HD1 LEU 86 -16.294 -11.924 -5.312 651 HD21 LEU 86 1HD2 LEU 86 -13.174 -11.203 -2.687 652 HD22 LEU 86 2HD2 LEU 86 -14.825 -11.697 -2.313 653 HD23 LEU 86 3HD2 LEU 86 -14.471 -10.007 -2.677 654 H GLU 87 H GLU 87 -11.788 -10.613 -6.036 655 HA GLU 87 HA GLU 87 -12.608 -10.881 -8.744 656 HB2 GLU 87 1HB GLU 87 -10.695 -8.916 -7.471 657 HB3 GLU 87 2HB GLU 87 -11.351 -8.778 -9.097 658 HG2 GLU 87 1HG GLU 87 -13.132 -8.934 -6.694 659 HG3 GLU 87 2HG GLU 87 -12.442 -7.408 -7.243 660 H LEU 88 H LEU 88 -9.870 -11.948 -7.023 661 HA LEU 88 HA LEU 88 -8.259 -12.198 -9.459 662 HB2 LEU 88 1HB LEU 88 -6.445 -12.867 -7.918 663 HB3 LEU 88 2HB LEU 88 -7.080 -11.253 -7.604 664 HG LEU 88 HG LEU 88 -8.544 -12.608 -5.837 665 HD11 LEU 88 1HD1 LEU 88 -7.192 -14.697 -6.710 666 HD12 LEU 88 2HD1 LEU 88 -7.624 -14.524 -5.010 667 HD13 LEU 88 3HD1 LEU 88 -5.997 -14.112 -5.552 668 HD21 LEU 88 1HD2 LEU 88 -6.660 -10.748 -5.674 669 HD22 LEU 88 2HD2 LEU 88 -5.747 -12.093 -4.989 670 HD23 LEU 88 3HD2 LEU 88 -7.268 -11.592 -4.249 671 H MET 89 H MET 89 -10.649 -13.877 -8.233 672 HA MET 89 HA MET 89 -9.693 -16.473 -7.783 673 HB2 MET 89 1HB MET 89 -11.969 -15.786 -7.210 674 HB3 MET 89 2HB MET 89 -12.354 -15.588 -8.915 675 HG2 MET 89 1HG MET 89 -13.240 -17.644 -8.575 676 HG3 MET 89 2HG MET 89 -11.599 -18.113 -9.014 677 HE1 MET 89 1HE MET 89 -12.932 -17.238 -4.867 678 HE2 MET 89 2HE MET 89 -13.833 -16.949 -6.356 679 HE3 MET 89 3HE MET 89 -14.063 -18.453 -5.464 680 H GLU 90 H GLU 90 -9.159 -18.139 -9.095 681 HA GLU 90 HA GLU 90 -9.155 -17.594 -11.988 682 HB2 GLU 90 1HB GLU 90 -7.255 -19.095 -12.161 683 HB3 GLU 90 2HB GLU 90 -6.923 -17.847 -10.968 684 HG2 GLU 90 1HG GLU 90 -7.369 -19.386 -9.168 685 HG3 GLU 90 2HG GLU 90 -7.845 -20.636 -10.316 686 H ALA 91 H ALA 91 -8.932 -19.864 -13.199 687 HA ALA 91 HA ALA 91 -11.101 -21.580 -12.177 688 HB1 ALA 91 1HB ALA 91 -10.508 -21.009 -15.076 689 HB2 ALA 91 2HB ALA 91 -11.860 -21.938 -14.428 690 HB3 ALA 91 3HB ALA 91 -11.761 -20.202 -14.134 691 H SER 92 H SER 92 -10.762 -23.735 -12.135 692 HA SER 92 HA SER 92 -8.366 -24.796 -13.465 693 HB2 SER 92 1HB SER 92 -9.103 -24.980 -10.565 694 HB3 SER 92 2HB SER 92 -8.212 -26.302 -11.319 695 HG SER 92 HG SER 92 -6.565 -24.888 -11.813 696 H GLU 93 H GLU 93 -9.506 -25.860 -15.040 697 HA GLU 93 HA GLU 93 -11.732 -27.575 -14.341 698 HB2 GLU 93 1HB GLU 93 -11.872 -28.029 -16.738 699 HB3 GLU 93 2HB GLU 93 -11.789 -26.300 -16.432 700 HG2 GLU 93 1HG GLU 93 -10.335 -26.502 -18.181 701 HG3 GLU 93 2HG GLU 93 -9.231 -26.648 -16.814 702 H HIS 94 H HIS 94 -8.423 -27.950 -15.556 703 HA HIS 94 HA HIS 94 -8.228 -30.599 -16.056 704 HB2 HIS 94 1HB HIS 94 -6.329 -28.692 -14.740 705 HB3 HIS 94 2HB HIS 94 -5.894 -30.394 -14.869 706 HD1 HIS 94 1HD HIS 94 -5.824 -27.278 -16.718 707 HD2 HIS 94 2HD HIS 94 -5.886 -31.323 -17.662 708 HE1 HIS 94 1HE HIS 94 -5.065 -27.422 -19.112 709 HE2 HIS 94 2HE HIS 94 -5.192 -29.870 -19.687 710 H GLY 95 H GLY 95 -7.470 -32.439 -14.781 711 HA2 GLY 95 1HA GLY 95 -7.511 -32.514 -11.973 712 HA3 GLY 95 2HA GLY 95 -9.113 -32.939 -12.558 713 H GLY 96 H GLY 96 -7.691 -34.754 -11.092 714 HA2 GLY 96 1HA GLY 96 -7.449 -36.916 -13.006 715 HA3 GLY 96 2HA GLY 96 -5.960 -36.515 -12.164 716 H CYS 97 H CYS 97 -5.806 -36.881 -9.922 717 HA CYS 97 HA CYS 97 -6.059 -38.193 -8.077 718 HB2 CYS 97 1HB CYS 97 -7.950 -36.471 -7.892 719 HB3 CYS 97 2HB CYS 97 -9.023 -37.765 -8.412 720 HG CYS 97 HG CYS 97 -8.997 -39.190 -6.194 721 H SER 98 H SER 98 -5.826 -39.663 -10.421 722 HA SER 98 HA SER 98 -7.676 -41.910 -9.959 723 HB2 SER 98 1HB SER 98 -7.773 -40.801 -12.229 724 HB3 SER 98 2HB SER 98 -6.127 -41.373 -12.499 725 HG SER 98 HG SER 98 -8.016 -43.241 -11.658 726 H THR 99 H THR 99 -6.637 -43.253 -8.611 727 HA THR 99 HA THR 99 -3.811 -43.871 -9.136 728 HB THR 99 HB THR 99 -4.167 -43.151 -6.869 729 HG1 THR 99 1HG THR 99 -3.030 -45.353 -7.485 730 HG21 THR 99 1HG2 THR 99 -6.640 -44.526 -7.140 731 HG22 THR 99 2HG2 THR 99 -6.093 -43.506 -5.809 732 HG23 THR 99 3HG2 THR 99 -5.767 -45.238 -5.784 733 HA PRO 100 HA PRO 100 -5.166 -47.753 -10.820 734 HB2 PRO 100 1HB PRO 100 -2.692 -48.833 -11.112 735 HB3 PRO 100 2HB PRO 100 -3.339 -47.605 -12.207 736 HG2 PRO 100 1HG PRO 100 -1.453 -47.286 -9.904 737 HG3 PRO 100 2HG PRO 100 -1.390 -46.544 -11.513 738 HD2 PRO 100 1HD PRO 100 -2.305 -45.222 -9.334 739 HD3 PRO 100 2HD PRO 100 -2.939 -44.927 -10.966 740 H GLY 101 H GLY 101 -6.130 -49.109 -9.423 741 HA2 GLY 101 1HA GLY 101 -4.657 -50.046 -7.072 742 HA3 GLY 101 2HA GLY 101 -6.383 -50.221 -7.349 743 H SER 102 H SER 102 -4.235 -52.178 -6.624 744 HA SER 102 HA SER 102 -3.895 -53.898 -8.883 745 HB2 SER 102 1HB SER 102 -2.511 -53.689 -6.633 746 HB3 SER 102 2HB SER 102 -3.641 -54.928 -6.089 747 HG SER 102 HG SER 102 -3.003 -56.024 -8.144 748 H GLY 103 H GLY 103 -4.778 -56.025 -9.135 749 HA2 GLY 103 1HA GLY 103 -7.476 -56.266 -7.957 750 HA3 GLY 103 2HA GLY 103 -7.061 -56.803 -9.577 751 HA PRO 104 HA PRO 104 -6.189 -60.839 -8.123 752 HB2 PRO 104 1HB PRO 104 -4.018 -61.556 -9.587 753 HB3 PRO 104 2HB PRO 104 -5.637 -61.407 -10.280 754 HG2 PRO 104 1HG PRO 104 -3.360 -59.464 -10.348 755 HG3 PRO 104 2HG PRO 104 -4.472 -59.931 -11.648 756 HD2 PRO 104 1HD PRO 104 -4.758 -57.635 -10.241 757 HD3 PRO 104 2HD PRO 104 -6.143 -58.536 -10.891 758 H SER 105 H SER 105 -4.682 -62.192 -6.960 759 HA SER 105 HA SER 105 -2.344 -60.811 -5.853 760 HB2 SER 105 1HB SER 105 -3.941 -60.397 -4.154 761 HB3 SER 105 2HB SER 105 -4.619 -62.019 -4.285 762 HG SER 105 HG SER 105 -2.662 -62.824 -3.428 763 H SER 106 H SER 106 -0.647 -62.055 -6.240 764 HA SER 106 HA SER 106 -0.588 -64.608 -7.188 765 HB2 SER 106 1HB SER 106 1.350 -62.938 -6.857 766 HB3 SER 106 2HB SER 106 1.524 -63.662 -5.259 767 HG SER 106 HG SER 106 2.507 -65.266 -6.169 768 H GLY 107 H GLY 107 -1.038 -66.570 -6.427 769 HA2 GLY 107 1HA GLY 107 -0.483 -68.042 -4.405 770 HA3 GLY 107 2HA GLY 107 -1.434 -66.858 -3.521 Start of MODEL 9 1 H1 GLY 1 H GLY 1 17.552 -12.401 9.720 2 HA2 GLY 1 1HA GLY 1 15.618 -14.482 9.038 3 HA3 GLY 1 2HA GLY 1 15.988 -13.052 8.084 4 H SER 2 H SER 2 18.391 -13.048 7.312 5 HA SER 2 HA SER 2 18.740 -15.536 5.847 6 HB2 SER 2 1HB SER 2 20.382 -14.277 4.520 7 HB3 SER 2 2HB SER 2 18.854 -13.403 4.626 8 HG SER 2 HG SER 2 21.340 -12.746 5.612 9 H SER 3 H SER 3 20.110 -17.070 6.441 10 HA SER 3 HA SER 3 21.825 -16.742 8.703 11 HB2 SER 3 1HB SER 3 20.882 -18.895 8.467 12 HB3 SER 3 2HB SER 3 21.338 -19.000 6.767 13 HG SER 3 HG SER 3 22.662 -20.178 8.408 14 H GLY 4 H GLY 4 22.568 -17.700 5.341 15 HA2 GLY 4 1HA GLY 4 25.276 -17.613 5.354 16 HA3 GLY 4 2HA GLY 4 24.326 -17.063 3.982 17 H SER 5 H SER 5 26.345 -16.147 6.600 18 HA SER 5 HA SER 5 25.903 -13.561 7.153 19 HB2 SER 5 1HB SER 5 27.867 -14.763 7.982 20 HB3 SER 5 2HB SER 5 28.593 -14.716 6.375 21 HG SER 5 HG SER 5 29.417 -13.047 7.660 22 H SER 6 H SER 6 25.222 -11.967 5.890 23 HA SER 6 HA SER 6 26.690 -11.430 3.402 24 HB2 SER 6 1HB SER 6 24.621 -10.906 2.232 25 HB3 SER 6 2HB SER 6 24.538 -12.551 2.861 26 HG SER 6 HG SER 6 23.574 -10.517 4.498 27 H GLY 7 H GLY 7 27.746 -9.608 3.924 28 HA2 GLY 7 1HA GLY 7 26.233 -7.469 5.279 29 HA3 GLY 7 2HA GLY 7 27.982 -7.639 5.313 30 H VAL 8 H VAL 8 25.253 -6.960 3.157 31 HA VAL 8 HA VAL 8 27.080 -5.334 1.509 32 HB VAL 8 HB VAL 8 26.161 -7.292 0.303 33 HG11 VAL 8 1HG1 VAL 8 24.067 -7.882 0.812 34 HG12 VAL 8 2HG1 VAL 8 23.677 -6.278 1.437 35 HG13 VAL 8 3HG1 VAL 8 23.565 -6.603 -0.294 36 HG21 VAL 8 1HG2 VAL 8 26.768 -5.241 -0.895 37 HG22 VAL 8 2HG2 VAL 8 25.422 -6.074 -1.672 38 HG23 VAL 8 3HG2 VAL 8 25.123 -4.639 -0.692 39 H LYS 9 H LYS 9 26.167 -3.413 0.545 40 HA LYS 9 HA LYS 9 24.193 -2.164 2.313 41 HB2 LYS 9 1HB LYS 9 26.360 -1.123 0.530 42 HB3 LYS 9 2HB LYS 9 25.013 -0.074 0.950 43 HG2 LYS 9 1HG LYS 9 25.522 -0.567 3.363 44 HG3 LYS 9 2HG LYS 9 27.003 -1.349 2.806 45 HD2 LYS 9 1HD LYS 9 27.819 0.690 1.876 46 HD3 LYS 9 2HD LYS 9 26.267 1.492 2.123 47 HE2 LYS 9 1HE LYS 9 26.663 0.938 4.624 48 HE3 LYS 9 2HE LYS 9 28.344 0.722 4.138 49 HZ1 LYS 9 1HZ LYS 9 26.711 3.172 4.118 50 HZ2 LYS 9 2HZ LYS 9 28.026 3.030 3.065 51 HZ3 LYS 9 3HZ LYS 9 28.268 2.930 4.736 52 HA PRO 10 HA PRO 10 21.020 -2.170 -0.728 53 HB2 PRO 10 1HB PRO 10 19.659 0.065 -0.006 54 HB3 PRO 10 2HB PRO 10 19.614 -1.432 0.933 55 HG2 PRO 10 1HG PRO 10 21.237 1.042 1.388 56 HG3 PRO 10 2HG PRO 10 20.359 0.048 2.565 57 HD2 PRO 10 1HD PRO 10 23.036 -0.142 2.208 58 HD3 PRO 10 2HD PRO 10 22.034 -1.533 2.669 59 HA PRO 11 HA PRO 11 22.539 0.414 -3.995 60 HB2 PRO 11 1HB PRO 11 20.584 -0.124 -5.800 61 HB3 PRO 11 2HB PRO 11 21.876 -1.267 -5.414 62 HG2 PRO 11 1HG PRO 11 19.058 -1.183 -4.407 63 HG3 PRO 11 2HG PRO 11 20.017 -2.579 -4.933 64 HD2 PRO 11 1HD PRO 11 19.651 -1.964 -2.322 65 HD3 PRO 11 2HD PRO 11 21.137 -2.726 -2.924 66 H HIS 12 H HIS 12 19.037 0.487 -3.325 67 HA HIS 12 HA HIS 12 19.120 3.409 -3.707 68 HB2 HIS 12 1HB HIS 12 16.546 2.941 -4.205 69 HB3 HIS 12 2HB HIS 12 17.768 2.855 -5.471 70 HD1 HIS 12 1HD HIS 12 16.041 0.489 -3.042 71 HD2 HIS 12 2HD HIS 12 17.731 0.521 -6.838 72 HE1 HIS 12 1HE HIS 12 15.608 -1.800 -3.990 73 HE2 HIS 12 2HE HIS 12 16.713 -1.785 -6.253 74 H GLY 13 H GLY 13 17.696 0.707 -1.939 75 HA2 GLY 13 1HA GLY 13 17.681 1.283 0.553 76 HA3 GLY 13 2HA GLY 13 16.654 2.617 0.050 77 H PHE 14 H PHE 14 15.048 1.364 -1.827 78 HA PHE 14 HA PHE 14 12.981 0.349 -0.345 79 HB2 PHE 14 1HB PHE 14 13.724 -0.129 -3.228 80 HB3 PHE 14 2HB PHE 14 12.231 -0.747 -2.529 81 HD1 PHE 14 1HD PHE 14 14.134 2.374 -3.148 82 HD2 PHE 14 2HD PHE 14 10.341 0.607 -2.367 83 HE1 PHE 14 1HE PHE 14 13.041 4.534 -3.586 84 HE2 PHE 14 2HE PHE 14 9.242 2.764 -2.805 85 HZ PHE 14 HZ PHE 14 10.592 4.731 -3.416 86 H GLN 15 H GLN 15 12.229 -1.675 0.230 87 HA GLN 15 HA GLN 15 14.171 -3.876 -0.031 88 HB2 GLN 15 1HB GLN 15 12.302 -3.326 2.281 89 HB3 GLN 15 2HB GLN 15 13.403 -4.692 2.155 90 HG2 GLN 15 1HG GLN 15 15.304 -3.150 2.150 91 HG3 GLN 15 2HG GLN 15 14.192 -1.791 2.303 92 HE21 GLN 15 1HE2 GLN 15 15.760 -1.567 4.197 93 HE22 GLN 15 2HE2 GLN 15 15.247 -2.273 5.689 94 H LYS 16 H LYS 16 13.231 -6.051 0.051 95 HA LYS 16 HA LYS 16 10.813 -6.158 -1.551 96 HB2 LYS 16 1HB LYS 16 12.970 -8.100 -0.822 97 HB3 LYS 16 2HB LYS 16 11.422 -8.714 -1.389 98 HG2 LYS 16 1HG LYS 16 11.679 -7.775 -3.498 99 HG3 LYS 16 2HG LYS 16 12.906 -6.634 -2.946 100 HD2 LYS 16 1HD LYS 16 13.335 -9.613 -2.953 101 HD3 LYS 16 2HD LYS 16 13.732 -8.587 -4.334 102 HE2 LYS 16 1HE LYS 16 15.106 -7.203 -2.688 103 HE3 LYS 16 2HE LYS 16 14.920 -8.556 -1.573 104 HZ1 LYS 16 1HZ LYS 16 16.416 -9.758 -2.680 105 HZ2 LYS 16 2HZ LYS 16 16.880 -8.309 -3.420 106 HZ3 LYS 16 3HZ LYS 16 15.790 -9.344 -4.197 107 H LYS 17 H LYS 17 9.100 -7.719 -1.050 108 HA LYS 17 HA LYS 17 7.469 -8.552 0.300 109 HB2 LYS 17 1HB LYS 17 9.642 -8.800 2.386 110 HB3 LYS 17 2HB LYS 17 8.112 -9.665 2.351 111 HG2 LYS 17 1HG LYS 17 8.901 -10.634 0.131 112 HG3 LYS 17 2HG LYS 17 10.495 -10.014 0.566 113 HD2 LYS 17 1HD LYS 17 10.456 -12.258 1.300 114 HD3 LYS 17 2HD LYS 17 10.233 -11.276 2.751 115 HE2 LYS 17 1HE LYS 17 8.568 -12.794 3.080 116 HE3 LYS 17 2HE LYS 17 7.679 -11.607 2.126 117 HZ1 LYS 17 1HZ LYS 17 7.445 -13.034 0.448 118 HZ2 LYS 17 2HZ LYS 17 7.880 -14.241 1.551 119 HZ3 LYS 17 3HZ LYS 17 9.049 -13.566 0.530 120 H MET 18 H MET 18 8.080 -5.688 0.261 121 HA MET 18 HA MET 18 6.942 -4.956 2.878 122 HB2 MET 18 1HB MET 18 8.185 -2.978 2.938 123 HB3 MET 18 2HB MET 18 9.333 -4.164 2.333 124 HG2 MET 18 1HG MET 18 9.024 -3.379 0.077 125 HG3 MET 18 2HG MET 18 7.761 -2.269 0.605 126 HE1 MET 18 1HE MET 18 8.818 -0.642 -0.737 127 HE2 MET 18 2HE MET 18 9.963 0.528 -0.080 128 HE3 MET 18 3HE MET 18 10.547 -0.848 -1.016 129 H LYS 19 H LYS 19 5.834 -2.710 2.707 130 HA LYS 19 HA LYS 19 4.121 -2.759 0.312 131 HB2 LYS 19 1HB LYS 19 3.537 -1.888 3.143 132 HB3 LYS 19 2HB LYS 19 2.456 -1.564 1.794 133 HG2 LYS 19 1HG LYS 19 3.309 -4.293 2.743 134 HG3 LYS 19 2HG LYS 19 1.754 -3.522 3.067 135 HD2 LYS 19 1HD LYS 19 1.714 -3.323 0.428 136 HD3 LYS 19 2HD LYS 19 2.810 -4.702 0.548 137 HE2 LYS 19 1HE LYS 19 0.477 -5.413 0.317 138 HE3 LYS 19 2HE LYS 19 1.163 -5.919 1.860 139 HZ1 LYS 19 1HZ LYS 19 -0.504 -4.897 2.866 140 HZ2 LYS 19 2HZ LYS 19 -1.116 -4.342 1.390 141 HZ3 LYS 19 3HZ LYS 19 0.014 -3.413 2.241 142 H LEU 20 H LEU 20 3.437 -0.759 -0.590 143 HA LEU 20 HA LEU 20 4.449 1.741 0.328 144 HB2 LEU 20 1HB LEU 20 6.219 2.133 -1.027 145 HB3 LEU 20 2HB LEU 20 6.380 0.384 -0.879 146 HG LEU 20 HG LEU 20 4.867 0.463 -3.073 147 HD11 LEU 20 1HD1 LEU 20 6.114 2.422 -4.386 148 HD12 LEU 20 2HD1 LEU 20 6.024 3.171 -2.792 149 HD13 LEU 20 3HD1 LEU 20 4.550 2.642 -3.602 150 HD21 LEU 20 1HD2 LEU 20 7.628 1.054 -3.773 151 HD22 LEU 20 2HD2 LEU 20 6.691 -0.422 -4.005 152 HD23 LEU 20 3HD2 LEU 20 7.489 -0.117 -2.462 153 H GLU 21 H GLU 21 3.364 3.425 -0.582 154 HA GLU 21 HA GLU 21 1.140 2.766 -2.297 155 HB2 GLU 21 1HB GLU 21 2.037 5.287 -0.918 156 HB3 GLU 21 2HB GLU 21 0.702 5.286 -2.062 157 HG2 GLU 21 1HG GLU 21 -0.389 3.531 -0.650 158 HG3 GLU 21 2HG GLU 21 0.880 3.800 0.544 159 H VAL 22 H VAL 22 1.233 2.774 -4.434 160 HA VAL 22 HA VAL 22 3.254 4.464 -5.755 161 HB VAL 22 HB VAL 22 1.991 1.886 -6.693 162 HG11 VAL 22 1HG1 VAL 22 3.694 2.175 -8.586 163 HG12 VAL 22 2HG1 VAL 22 2.220 3.143 -8.653 164 HG13 VAL 22 3HG1 VAL 22 3.732 3.874 -8.115 165 HG21 VAL 22 1HG2 VAL 22 3.706 1.484 -5.072 166 HG22 VAL 22 2HG2 VAL 22 4.360 1.099 -6.664 167 HG23 VAL 22 3HG2 VAL 22 4.799 2.612 -5.873 168 H VAL 23 H VAL 23 2.605 6.001 -7.129 169 HA VAL 23 HA VAL 23 -0.172 6.610 -7.384 170 HB VAL 23 HB VAL 23 2.213 7.823 -8.788 171 HG11 VAL 23 1HG1 VAL 23 0.857 9.495 -9.620 172 HG12 VAL 23 2HG1 VAL 23 -0.181 8.077 -9.783 173 HG13 VAL 23 3HG1 VAL 23 -0.417 9.196 -8.439 174 HG21 VAL 23 1HG2 VAL 23 2.318 8.066 -6.368 175 HG22 VAL 23 2HG2 VAL 23 1.981 9.619 -7.132 176 HG23 VAL 23 3HG2 VAL 23 0.681 8.721 -6.348 177 H ASP 24 H ASP 24 -1.511 5.609 -8.723 178 HA ASP 24 HA ASP 24 -0.858 3.850 -10.743 179 HB2 ASP 24 1HB ASP 24 -3.167 4.512 -9.619 180 HB3 ASP 24 2HB ASP 24 -3.323 5.502 -11.067 181 H LYS 25 H LYS 25 0.353 4.222 -12.474 182 HA LYS 25 HA LYS 25 1.039 6.628 -13.595 183 HB2 LYS 25 1HB LYS 25 0.689 4.057 -15.143 184 HB3 LYS 25 2HB LYS 25 1.742 5.402 -15.560 185 HG2 LYS 25 1HG LYS 25 2.036 3.709 -13.088 186 HG3 LYS 25 2HG LYS 25 2.935 3.467 -14.588 187 HD2 LYS 25 1HD LYS 25 2.965 6.164 -13.320 188 HD3 LYS 25 2HD LYS 25 3.942 4.880 -12.603 189 HE2 LYS 25 1HE LYS 25 5.277 4.670 -14.488 190 HE3 LYS 25 2HE LYS 25 4.072 5.405 -15.545 191 HZ1 LYS 25 1HZ LYS 25 4.851 7.439 -15.129 192 HZ2 LYS 25 2HZ LYS 25 6.233 6.669 -14.534 193 HZ3 LYS 25 3HZ LYS 25 5.014 7.160 -13.469 194 H ARG 26 H ARG 26 -1.442 4.420 -14.906 195 HA ARG 26 HA ARG 26 -2.413 6.046 -16.911 196 HB2 ARG 26 1HB ARG 26 -4.543 4.780 -16.681 197 HB3 ARG 26 2HB ARG 26 -3.119 3.751 -16.732 198 HG2 ARG 26 1HG ARG 26 -4.130 4.576 -14.069 199 HG3 ARG 26 2HG ARG 26 -5.061 3.384 -14.978 200 HD2 ARG 26 1HD ARG 26 -2.645 2.323 -15.300 201 HD3 ARG 26 2HD ARG 26 -2.348 3.184 -13.791 202 HE ARG 26 HE ARG 26 -4.720 1.773 -13.479 203 HH11 ARG 26 2HH1 ARG 26 -1.347 1.101 -14.016 204 HH12 ARG 26 1HH1 ARG 26 -1.387 -0.426 -13.199 205 HH21 ARG 26 2HH2 ARG 26 -4.786 -0.235 -12.400 206 HH22 ARG 26 1HH2 ARG 26 -3.344 -1.186 -12.281 207 H ASN 27 H ASN 27 -3.125 6.112 -13.473 208 HA ASN 27 HA ASN 27 -4.531 8.658 -13.878 209 HB2 ASN 27 1HB ASN 27 -5.452 6.621 -11.852 210 HB3 ASN 27 2HB ASN 27 -6.283 8.083 -12.377 211 HD21 ASN 27 1HD2 ASN 27 -7.563 5.672 -12.362 212 HD22 ASN 27 2HD2 ASN 27 -7.862 5.159 -13.985 213 HA PRO 28 HA PRO 28 -1.280 9.499 -10.847 214 HB2 PRO 28 1HB PRO 28 -1.322 12.186 -11.236 215 HB3 PRO 28 2HB PRO 28 -0.460 11.074 -12.306 216 HG2 PRO 28 1HG PRO 28 -3.150 12.339 -12.659 217 HG3 PRO 28 2HG PRO 28 -1.851 12.121 -13.846 218 HD2 PRO 28 1HD PRO 28 -4.012 10.493 -13.736 219 HD3 PRO 28 2HD PRO 28 -2.409 9.920 -14.241 220 H MET 29 H MET 29 -4.572 10.081 -10.888 221 HA MET 29 HA MET 29 -4.523 11.542 -8.339 222 HB2 MET 29 1HB MET 29 -6.741 11.108 -10.343 223 HB3 MET 29 2HB MET 29 -6.975 11.878 -8.780 224 HG2 MET 29 1HG MET 29 -5.439 13.650 -9.397 225 HG3 MET 29 2HG MET 29 -5.130 12.864 -10.943 226 HE1 MET 29 1HE MET 29 -8.435 13.284 -12.874 227 HE2 MET 29 2HE MET 29 -6.820 12.576 -12.815 228 HE3 MET 29 3HE MET 29 -8.118 11.897 -11.831 229 H PHE 30 H PHE 30 -4.181 8.539 -9.035 230 HA PHE 30 HA PHE 30 -5.950 7.604 -6.891 231 HB2 PHE 30 1HB PHE 30 -5.624 6.371 -9.621 232 HB3 PHE 30 2HB PHE 30 -6.189 5.437 -8.240 233 HD1 PHE 30 2HD PHE 30 -6.971 8.234 -10.494 234 HD2 PHE 30 1HD PHE 30 -8.398 5.690 -7.395 235 HE1 PHE 30 2HE PHE 30 -9.263 9.028 -10.903 236 HE2 PHE 30 1HE PHE 30 -10.693 6.479 -7.800 237 HZ PHE 30 HZ PHE 30 -11.128 8.151 -9.555 238 H ILE 31 H ILE 31 -4.781 6.713 -5.336 239 HA ILE 31 HA ILE 31 -2.244 5.397 -6.059 240 HB ILE 31 HB ILE 31 -2.877 6.899 -3.516 241 HG12 ILE 31 1HG1 ILE 31 -0.743 7.579 -5.525 242 HG13 ILE 31 2HG1 ILE 31 -2.387 8.181 -5.707 243 HG21 ILE 31 1HG2 ILE 31 -0.102 6.235 -3.943 244 HG22 ILE 31 2HG2 ILE 31 -1.131 5.923 -2.547 245 HG23 ILE 31 3HG2 ILE 31 -1.107 4.786 -3.894 246 HD11 ILE 31 1HD1 ILE 31 -2.126 9.088 -3.339 247 HD12 ILE 31 2HD1 ILE 31 -0.401 8.781 -3.550 248 HD13 ILE 31 3HD1 ILE 31 -1.238 9.896 -4.630 249 H ARG 32 H ARG 32 -1.829 3.406 -5.231 250 HA ARG 32 HA ARG 32 -3.710 2.299 -3.268 251 HB2 ARG 32 1HB ARG 32 -2.860 0.931 -5.828 252 HB3 ARG 32 2HB ARG 32 -3.815 0.193 -4.549 253 HG2 ARG 32 1HG ARG 32 -5.639 1.686 -4.959 254 HG3 ARG 32 2HG ARG 32 -4.673 2.625 -6.099 255 HD2 ARG 32 1HD ARG 32 -4.579 0.763 -7.624 256 HD3 ARG 32 2HD ARG 32 -5.388 -0.282 -6.457 257 HE ARG 32 HE ARG 32 -7.402 0.648 -7.057 258 HH11 ARG 32 2HH1 ARG 32 -4.797 2.550 -8.368 259 HH12 ARG 32 1HH1 ARG 32 -5.832 3.516 -9.367 260 HH21 ARG 32 2HH2 ARG 32 -8.774 1.913 -8.368 261 HH22 ARG 32 1HH2 ARG 32 -8.094 3.154 -9.365 262 H VAL 33 H VAL 33 -2.843 -0.074 -2.729 263 HA VAL 33 HA VAL 33 -0.198 0.349 -1.648 264 HB VAL 33 HB VAL 33 -2.041 -2.034 -1.414 265 HG11 VAL 33 1HG1 VAL 33 0.373 -2.548 -1.092 266 HG12 VAL 33 2HG1 VAL 33 0.401 -1.376 0.226 267 HG13 VAL 33 3HG1 VAL 33 -0.611 -2.815 0.346 268 HG21 VAL 33 1HG2 VAL 33 -3.187 -0.772 0.012 269 HG22 VAL 33 2HG2 VAL 33 -1.760 -0.734 1.048 270 HG23 VAL 33 3HG2 VAL 33 -2.023 0.545 -0.138 271 H ALA 34 H ALA 34 1.622 -0.937 -2.027 272 HA ALA 34 HA ALA 34 1.508 -2.787 -4.298 273 HB1 ALA 34 1HB ALA 34 2.224 -0.412 -4.968 274 HB2 ALA 34 2HB ALA 34 3.728 -0.781 -4.123 275 HB3 ALA 34 3HB ALA 34 3.225 -1.765 -5.497 276 H THR 35 H THR 35 3.030 -4.429 -4.261 277 HA THR 35 HA THR 35 4.610 -4.620 -1.779 278 HB THR 35 HB THR 35 3.328 -6.833 -3.391 279 HG1 THR 35 1HG THR 35 2.897 -6.364 -0.651 280 HG21 THR 35 1HG2 THR 35 5.610 -6.878 -1.624 281 HG22 THR 35 2HG2 THR 35 4.912 -8.182 -2.585 282 HG23 THR 35 3HG2 THR 35 4.290 -7.847 -0.970 283 H VAL 36 H VAL 36 6.683 -4.237 -2.216 284 HA VAL 36 HA VAL 36 7.894 -4.441 -4.736 285 HB VAL 36 HB VAL 36 9.328 -4.606 -2.085 286 HG11 VAL 36 1HG1 VAL 36 10.624 -3.052 -4.115 287 HG12 VAL 36 2HG1 VAL 36 11.202 -4.490 -3.271 288 HG13 VAL 36 3HG1 VAL 36 10.243 -4.656 -4.742 289 HG21 VAL 36 1HG2 VAL 36 8.334 -2.189 -3.589 290 HG22 VAL 36 2HG2 VAL 36 7.839 -2.721 -1.982 291 HG23 VAL 36 3HG2 VAL 36 9.478 -2.129 -2.248 292 H ALA 37 H ALA 37 7.872 -6.337 -5.802 293 HA ALA 37 HA ALA 37 8.317 -8.850 -4.462 294 HB1 ALA 37 1HB ALA 37 7.250 -7.996 -6.971 295 HB2 ALA 37 2HB ALA 37 8.502 -9.206 -7.251 296 HB3 ALA 37 3HB ALA 37 7.139 -9.576 -6.195 297 H ASP 38 H ASP 38 10.039 -7.031 -7.002 298 HA ASP 38 HA ASP 38 12.542 -8.241 -6.048 299 HB2 ASP 38 1HB ASP 38 11.602 -9.280 -8.208 300 HB3 ASP 38 2HB ASP 38 12.032 -7.753 -8.975 301 H THR 39 H THR 39 14.187 -6.851 -5.788 302 HA THR 39 HA THR 39 13.735 -4.063 -6.600 303 HB THR 39 HB THR 39 15.630 -3.622 -4.917 304 HG1 THR 39 1HG THR 39 15.620 -5.355 -3.260 305 HG21 THR 39 1HG2 THR 39 13.323 -4.739 -3.432 306 HG22 THR 39 2HG2 THR 39 12.964 -3.528 -4.663 307 HG23 THR 39 3HG2 THR 39 14.064 -3.142 -3.340 308 H ASP 40 H ASP 40 14.698 -3.595 -8.468 309 HA ASP 40 HA ASP 40 17.006 -4.984 -9.426 310 HB2 ASP 40 1HB ASP 40 15.084 -3.800 -10.755 311 HB3 ASP 40 2HB ASP 40 16.092 -2.367 -10.567 312 H ASP 41 H ASP 41 18.705 -3.247 -10.496 313 HA ASP 41 HA ASP 41 20.257 -2.386 -8.285 314 HB2 ASP 41 1HB ASP 41 20.514 -2.232 -11.256 315 HB3 ASP 41 2HB ASP 41 21.549 -1.200 -10.272 316 H HIS 42 H HIS 42 18.385 -0.639 -10.741 317 HA HIS 42 HA HIS 42 18.479 1.731 -8.994 318 HB2 HIS 42 1HB HIS 42 18.084 2.906 -11.360 319 HB3 HIS 42 2HB HIS 42 19.697 2.580 -10.733 320 HD1 HIS 42 1HD HIS 42 20.799 2.318 -13.012 321 HD2 HIS 42 2HD HIS 42 17.585 -0.251 -12.432 322 HE1 HIS 42 1HE HIS 42 20.894 0.681 -14.919 323 HE2 HIS 42 2HE HIS 42 18.891 -0.811 -14.594 324 H ARG 43 H ARG 43 16.546 -0.636 -9.850 325 HA ARG 43 HA ARG 43 14.157 1.048 -9.728 326 HB2 ARG 43 1HB ARG 43 14.398 -1.245 -11.679 327 HB3 ARG 43 2HB ARG 43 13.046 -0.133 -11.504 328 HG2 ARG 43 1HG ARG 43 14.880 1.666 -12.064 329 HG3 ARG 43 2HG ARG 43 15.689 0.279 -12.796 330 HD2 ARG 43 1HD ARG 43 13.309 -0.117 -13.856 331 HD3 ARG 43 2HD ARG 43 13.132 1.610 -13.547 332 HE ARG 43 HE ARG 43 14.555 2.017 -15.284 333 HH11 ARG 43 2HH1 ARG 43 14.941 -1.291 -14.271 334 HH12 ARG 43 1HH1 ARG 43 16.009 -1.702 -15.572 335 HH21 ARG 43 2HH2 ARG 43 15.959 1.488 -17.002 336 HH22 ARG 43 1HH2 ARG 43 16.587 -0.120 -17.125 337 H VAL 44 H VAL 44 12.162 -0.366 -9.358 338 HA VAL 44 HA VAL 44 12.716 -2.870 -7.982 339 HB VAL 44 HB VAL 44 11.478 -2.175 -5.953 340 HG11 VAL 44 1HG1 VAL 44 13.357 -1.445 -4.898 341 HG12 VAL 44 2HG1 VAL 44 14.082 -1.929 -6.432 342 HG13 VAL 44 3HG1 VAL 44 13.711 -0.232 -6.127 343 HG21 VAL 44 1HG2 VAL 44 10.171 -0.353 -6.723 344 HG22 VAL 44 2HG2 VAL 44 11.306 0.311 -5.548 345 HG23 VAL 44 3HG2 VAL 44 11.596 0.528 -7.274 346 H LYS 45 H LYS 45 11.255 -4.266 -8.684 347 HA LYS 45 HA LYS 45 8.962 -3.559 -10.145 348 HB2 LYS 45 1HB LYS 45 10.249 -5.776 -10.145 349 HB3 LYS 45 2HB LYS 45 9.313 -6.187 -8.714 350 HG2 LYS 45 1HG LYS 45 7.328 -6.318 -9.887 351 HG3 LYS 45 2HG LYS 45 7.922 -5.307 -11.206 352 HD2 LYS 45 1HD LYS 45 9.635 -7.317 -11.469 353 HD3 LYS 45 2HD LYS 45 8.321 -8.208 -10.698 354 HE2 LYS 45 1HE LYS 45 7.910 -6.450 -13.105 355 HE3 LYS 45 2HE LYS 45 8.322 -8.159 -13.232 356 HZ1 LYS 45 1HZ LYS 45 5.816 -6.918 -12.531 357 HZ2 LYS 45 2HZ LYS 45 6.255 -8.194 -11.511 358 HZ3 LYS 45 3HZ LYS 45 6.121 -8.452 -13.177 359 H VAL 46 H VAL 46 7.056 -2.829 -9.492 360 HA VAL 46 HA VAL 46 6.261 -3.285 -6.691 361 HB VAL 46 HB VAL 46 4.809 -1.273 -6.967 362 HG11 VAL 46 1HG1 VAL 46 7.393 -0.103 -7.581 363 HG12 VAL 46 2HG1 VAL 46 6.461 -0.063 -6.083 364 HG13 VAL 46 3HG1 VAL 46 7.516 -1.433 -6.431 365 HG21 VAL 46 1HG2 VAL 46 4.422 -0.502 -9.014 366 HG22 VAL 46 2HG2 VAL 46 6.099 0.039 -9.084 367 HG23 VAL 46 3HG2 VAL 46 5.661 -1.556 -9.695 368 H HIS 47 H HIS 47 4.747 -4.789 -6.490 369 HA HIS 47 HA HIS 47 2.870 -5.250 -8.690 370 HB2 HIS 47 1HB HIS 47 3.871 -7.280 -8.047 371 HB3 HIS 47 2HB HIS 47 3.740 -6.903 -6.331 372 HD1 HIS 47 1HD HIS 47 1.929 -8.478 -9.134 373 HD2 HIS 47 2HD HIS 47 1.113 -7.253 -5.248 374 HE1 HIS 47 1HE HIS 47 -0.250 -9.576 -8.526 375 HE2 HIS 47 2HE HIS 47 -0.766 -8.752 -6.202 376 H PHE 48 H PHE 48 0.682 -5.053 -8.474 377 HA PHE 48 HA PHE 48 -0.234 -3.575 -6.126 378 HB2 PHE 48 1HB PHE 48 -1.301 -3.951 -8.908 379 HB3 PHE 48 2HB PHE 48 -2.354 -3.372 -7.622 380 HD1 PHE 48 1HD PHE 48 1.193 -2.648 -8.521 381 HD2 PHE 48 2HD PHE 48 -2.728 -1.124 -7.876 382 HE1 PHE 48 1HE PHE 48 2.028 -0.360 -8.875 383 HE2 PHE 48 2HE PHE 48 -1.900 1.166 -8.229 384 HZ PHE 48 HZ PHE 48 0.480 1.550 -8.730 385 H ASP 49 H ASP 49 -0.562 -5.103 -4.558 386 HA ASP 49 HA ASP 49 -1.435 -7.633 -4.613 387 HB2 ASP 49 1HB ASP 49 -1.017 -6.110 -2.580 388 HB3 ASP 49 2HB ASP 49 -2.730 -5.713 -2.688 389 H GLY 50 H GLY 50 -3.239 -8.789 -5.051 390 HA2 GLY 50 1HA GLY 50 -5.509 -9.190 -5.441 391 HA3 GLY 50 2HA GLY 50 -5.807 -7.460 -5.343 392 H TRP 51 H TRP 51 -3.990 -6.546 -7.252 393 HA TRP 51 HA TRP 51 -5.479 -6.959 -9.627 394 HB2 TRP 51 1HB TRP 51 -2.794 -5.633 -9.197 395 HB3 TRP 51 2HB TRP 51 -3.718 -5.561 -10.695 396 HD1 TRP 51 HD TRP 51 -4.117 -4.522 -6.980 397 HE1 TRP 51 1HE TRP 51 -5.577 -2.404 -6.904 398 HE3 TRP 51 3HE TRP 51 -5.244 -4.133 -11.952 399 HZ2 TRP 51 2HZ TRP 51 -7.017 -0.783 -8.712 400 HZ3 TRP 51 3HZ TRP 51 -6.669 -2.271 -12.696 401 HH2 TRP 51 HH TRP 51 -7.536 -0.632 -11.108 402 H ASN 52 H ASN 52 -5.075 -8.171 -11.419 403 HA ASN 52 HA ASN 52 -3.925 -10.604 -11.335 404 HB2 ASN 52 1HB ASN 52 -5.198 -9.388 -13.267 405 HB3 ASN 52 2HB ASN 52 -3.581 -9.011 -13.854 406 HD21 ASN 52 1HD2 ASN 52 -2.618 -10.453 -15.095 407 HD22 ASN 52 2HD2 ASN 52 -3.089 -12.106 -15.275 408 H ASN 53 H ASN 53 -1.943 -11.501 -12.273 409 HA ASN 53 HA ASN 53 0.365 -10.070 -11.312 410 HB2 ASN 53 1HB ASN 53 1.603 -12.111 -11.894 411 HB3 ASN 53 2HB ASN 53 0.165 -12.487 -10.949 412 HD21 ASN 53 1HD2 ASN 53 1.138 -14.543 -12.191 413 HD22 ASN 53 2HD2 ASN 53 0.246 -14.951 -13.613 414 H CYS 54 H CYS 54 -0.799 -8.661 -13.388 415 HA CYS 54 HA CYS 54 1.316 -8.824 -15.417 416 HB2 CYS 54 1HB CYS 54 -0.241 -8.456 -17.214 417 HB3 CYS 54 2HB CYS 54 -0.793 -9.848 -16.290 418 HG CYS 54 HG CYS 54 -3.175 -8.814 -16.603 419 H TYR 55 H TYR 55 -1.200 -6.892 -13.870 420 HA TYR 55 HA TYR 55 -0.746 -4.421 -14.989 421 HB2 TYR 55 1HB TYR 55 -1.689 -5.335 -12.314 422 HB3 TYR 55 2HB TYR 55 -1.291 -3.631 -12.506 423 HD1 TYR 55 1HD TYR 55 -2.495 -2.294 -14.269 424 HD2 TYR 55 2HD TYR 55 -3.715 -6.213 -13.150 425 HE1 TYR 55 1HE TYR 55 -4.704 -1.885 -15.270 426 HE2 TYR 55 2HE TYR 55 -5.927 -5.816 -14.148 427 HH TYR 55 HH TYR 55 -7.015 -2.745 -15.042 428 H ASP 56 H ASP 56 1.052 -6.013 -12.401 429 HA ASP 56 HA ASP 56 2.639 -4.093 -11.379 430 HB2 ASP 56 1HB ASP 56 3.950 -6.612 -12.354 431 HB3 ASP 56 2HB ASP 56 4.215 -5.736 -10.849 432 H TYR 57 H TYR 57 4.838 -3.369 -11.859 433 HA TYR 57 HA TYR 57 5.878 -3.567 -14.511 434 HB2 TYR 57 1HB TYR 57 5.686 -1.028 -14.894 435 HB3 TYR 57 2HB TYR 57 4.258 -2.013 -15.195 436 HD1 TYR 57 2HD TYR 57 5.853 -0.003 -12.482 437 HD2 TYR 57 1HD TYR 57 2.238 -1.367 -14.264 438 HE1 TYR 57 2HE TYR 57 4.564 1.404 -10.930 439 HE2 TYR 57 1HE TYR 57 0.939 0.037 -12.718 440 HH TYR 57 HH TYR 57 2.525 2.257 -10.479 441 H TRP 58 H TRP 58 7.919 -2.526 -14.748 442 HA TRP 58 HA TRP 58 9.350 -2.310 -12.259 443 HB2 TRP 58 1HB TRP 58 10.098 -2.316 -15.156 444 HB3 TRP 58 2HB TRP 58 11.256 -1.706 -13.977 445 HD1 TRP 58 HD TRP 58 10.068 -4.863 -15.516 446 HE1 TRP 58 1HE TRP 58 11.116 -6.889 -14.323 447 HE3 TRP 58 3HE TRP 58 11.972 -2.492 -11.405 448 HZ2 TRP 58 2HZ TRP 58 12.557 -7.413 -11.954 449 HZ3 TRP 58 3HZ TRP 58 13.170 -3.828 -9.723 450 HH2 TRP 58 HH TRP 58 13.456 -6.238 -9.993 451 H ILE 59 H ILE 59 9.049 -0.488 -11.126 452 HA ILE 59 HA ILE 59 9.106 2.082 -12.552 453 HB ILE 59 HB ILE 59 7.143 1.530 -11.049 454 HG12 ILE 59 1HG1 ILE 59 8.641 3.978 -10.132 455 HG13 ILE 59 2HG1 ILE 59 7.973 3.856 -11.756 456 HG21 ILE 59 1HG2 ILE 59 9.193 1.989 -8.886 457 HG22 ILE 59 2HG2 ILE 59 7.456 1.806 -8.646 458 HG23 ILE 59 3HG2 ILE 59 8.409 0.454 -9.257 459 HD11 ILE 59 1HD1 ILE 59 5.928 4.331 -11.043 460 HD12 ILE 59 2HD1 ILE 59 6.032 3.171 -9.718 461 HD13 ILE 59 3HD1 ILE 59 6.680 4.799 -9.518 462 H ASP 60 H ASP 60 10.501 3.716 -11.943 463 HA ASP 60 HA ASP 60 13.015 2.923 -10.911 464 HB2 ASP 60 1HB ASP 60 11.881 5.684 -11.403 465 HB3 ASP 60 2HB ASP 60 13.569 5.346 -11.030 466 H ALA 61 H ALA 61 13.587 2.642 -8.869 467 HA ALA 61 HA ALA 61 11.958 3.113 -6.665 468 HB1 ALA 61 1HB ALA 61 13.580 2.106 -5.484 469 HB2 ALA 61 2HB ALA 61 14.296 1.798 -7.066 470 HB3 ALA 61 3HB ALA 61 14.838 3.174 -6.106 471 H ASP 62 H ASP 62 14.199 5.219 -8.295 472 HA ASP 62 HA ASP 62 14.065 7.207 -6.163 473 HB2 ASP 62 1HB ASP 62 15.681 8.469 -7.539 474 HB3 ASP 62 2HB ASP 62 16.241 6.835 -7.196 475 H SER 63 H SER 63 11.779 6.395 -7.975 476 HA SER 63 HA SER 63 11.264 8.747 -9.566 477 HB2 SER 63 1HB SER 63 10.484 6.428 -10.183 478 HB3 SER 63 2HB SER 63 9.327 6.534 -8.857 479 HG SER 63 HG SER 63 8.935 7.350 -11.271 480 HA PRO 64 HA PRO 64 9.382 11.139 -6.374 481 HB2 PRO 64 1HB PRO 64 8.033 12.891 -7.950 482 HB3 PRO 64 2HB PRO 64 9.785 12.957 -7.721 483 HG2 PRO 64 1HG PRO 64 8.214 11.791 -9.987 484 HG3 PRO 64 2HG PRO 64 9.686 12.779 -10.037 485 HD2 PRO 64 1HD PRO 64 9.728 10.086 -10.320 486 HD3 PRO 64 2HD PRO 64 11.055 10.987 -9.560 487 H ASP 65 H ASP 65 7.631 9.340 -8.726 488 HA ASP 65 HA ASP 65 5.006 9.976 -7.754 489 HB2 ASP 65 1HB ASP 65 5.535 7.467 -9.279 490 HB3 ASP 65 2HB ASP 65 4.207 8.614 -9.431 491 H ILE 66 H ILE 66 7.358 7.411 -7.223 492 HA ILE 66 HA ILE 66 5.715 5.651 -5.779 493 HB ILE 66 HB ILE 66 8.685 6.089 -5.822 494 HG12 ILE 66 1HG1 ILE 66 6.958 3.737 -6.623 495 HG13 ILE 66 2HG1 ILE 66 7.560 4.965 -7.732 496 HG21 ILE 66 1HG2 ILE 66 8.154 5.439 -3.545 497 HG22 ILE 66 2HG2 ILE 66 7.196 4.082 -4.136 498 HG23 ILE 66 3HG2 ILE 66 8.941 4.107 -4.393 499 HD11 ILE 66 1HD1 ILE 66 9.725 3.858 -6.214 500 HD12 ILE 66 2HD1 ILE 66 8.798 2.577 -6.995 501 HD13 ILE 66 3HD1 ILE 66 9.476 3.889 -7.959 502 H HIS 67 H HIS 67 4.815 5.825 -3.842 503 HA HIS 67 HA HIS 67 6.034 7.649 -1.877 504 HB2 HIS 67 1HB HIS 67 3.084 7.228 -2.403 505 HB3 HIS 67 2HB HIS 67 3.747 8.190 -1.084 506 HD1 HIS 67 1HD HIS 67 5.517 10.150 -2.116 507 HD2 HIS 67 2HD HIS 67 2.401 8.776 -4.495 508 HE1 HIS 67 1HE HIS 67 5.178 11.921 -3.869 509 HE2 HIS 67 2HE HIS 67 3.232 11.108 -5.245 510 HA PRO 68 HA PRO 68 6.044 4.242 0.899 511 HB2 PRO 68 1HB PRO 68 5.950 5.567 3.266 512 HB3 PRO 68 2HB PRO 68 7.393 5.524 2.246 513 HG2 PRO 68 1HG PRO 68 5.319 7.667 2.505 514 HG3 PRO 68 2HG PRO 68 7.083 7.822 2.414 515 HD2 PRO 68 1HD PRO 68 5.471 8.253 0.281 516 HD3 PRO 68 2HD PRO 68 7.111 7.592 0.121 517 H VAL 69 H VAL 69 4.787 3.188 2.587 518 HA VAL 69 HA VAL 69 2.042 3.160 2.083 519 HB VAL 69 HB VAL 69 3.680 2.083 4.362 520 HG11 VAL 69 1HG1 VAL 69 1.499 2.679 5.285 521 HG12 VAL 69 2HG1 VAL 69 0.700 1.775 3.996 522 HG13 VAL 69 3HG1 VAL 69 1.690 0.929 5.186 523 HG21 VAL 69 1HG2 VAL 69 4.033 0.607 2.692 524 HG22 VAL 69 2HG2 VAL 69 2.465 -0.023 3.197 525 HG23 VAL 69 3HG2 VAL 69 2.572 1.076 1.822 526 H GLY 70 H GLY 70 3.927 5.043 4.335 527 HA2 GLY 70 1HA GLY 70 1.550 5.968 5.750 528 HA3 GLY 70 2HA GLY 70 3.215 6.385 6.127 529 H TRP 71 H TRP 71 2.296 6.634 2.834 530 HA TRP 71 HA TRP 71 2.829 9.428 2.785 531 HB2 TRP 71 1HB TRP 71 3.345 8.018 0.864 532 HB3 TRP 71 2HB TRP 71 1.641 7.616 0.673 533 HD1 TRP 71 HD TRP 71 4.150 10.416 0.023 534 HE1 TRP 71 1HE TRP 71 3.068 12.153 -1.538 535 HE3 TRP 71 3HE TRP 71 -0.632 8.607 -0.013 536 HZ2 TRP 71 2HZ TRP 71 0.524 12.686 -2.639 537 HZ3 TRP 71 3HZ TRP 71 -2.329 9.789 -1.345 538 HH2 TRP 71 HH TRP 71 -1.762 11.786 -2.630 539 H CYS 72 H CYS 72 -0.134 7.501 2.463 540 HA CYS 72 HA CYS 72 -1.972 9.436 1.863 541 HB2 CYS 72 1HB CYS 72 -3.643 8.016 2.759 542 HB3 CYS 72 2HB CYS 72 -2.362 6.944 2.207 543 HG CYS 72 HG CYS 72 -3.797 6.789 5.004 544 H SER 73 H SER 73 -0.378 8.863 4.922 545 HA SER 73 HA SER 73 -2.064 10.746 6.340 546 HB2 SER 73 1HB SER 73 0.448 9.321 7.251 547 HB3 SER 73 2HB SER 73 -0.664 10.221 8.282 548 HG SER 73 HG SER 73 -1.758 8.204 6.712 549 H LYS 74 H LYS 74 1.438 10.515 5.694 550 HA LYS 74 HA LYS 74 2.298 12.936 6.560 551 HB2 LYS 74 1HB LYS 74 3.100 11.406 4.090 552 HB3 LYS 74 2HB LYS 74 3.939 12.863 4.604 553 HG2 LYS 74 1HG LYS 74 4.528 11.811 6.709 554 HG3 LYS 74 2HG LYS 74 3.634 10.360 6.251 555 HD2 LYS 74 1HD LYS 74 5.730 11.333 4.386 556 HD3 LYS 74 2HD LYS 74 6.260 10.581 5.893 557 HE2 LYS 74 1HE LYS 74 4.171 9.228 4.250 558 HE3 LYS 74 2HE LYS 74 5.854 9.143 3.732 559 HZ1 LYS 74 1HZ LYS 74 6.242 7.598 5.249 560 HZ2 LYS 74 2HZ LYS 74 4.600 7.591 5.655 561 HZ3 LYS 74 3HZ LYS 74 5.674 8.594 6.494 562 H THR 75 H THR 75 0.673 12.288 3.485 563 HA THR 75 HA THR 75 0.699 15.129 2.818 564 HB THR 75 HB THR 75 -0.369 14.414 0.690 565 HG1 THR 75 1HG THR 75 -0.196 11.994 0.400 566 HG21 THR 75 1HG2 THR 75 2.067 14.579 0.845 567 HG22 THR 75 2HG2 THR 75 1.592 13.260 -0.226 568 HG23 THR 75 3HG2 THR 75 2.150 12.911 1.409 569 H GLY 76 H GLY 76 -1.729 12.522 3.090 570 HA2 GLY 76 1HA GLY 76 -3.701 12.882 4.466 571 HA3 GLY 76 2HA GLY 76 -3.654 14.572 3.986 572 H HIS 77 H HIS 77 -3.225 11.818 1.834 573 HA HIS 77 HA HIS 77 -5.659 12.661 0.412 574 HB2 HIS 77 1HB HIS 77 -3.036 11.574 -0.477 575 HB3 HIS 77 2HB HIS 77 -4.458 11.107 -1.404 576 HD1 HIS 77 1HD HIS 77 -3.370 14.458 0.055 577 HD2 HIS 77 2HD HIS 77 -4.569 12.750 -3.538 578 HE1 HIS 77 1HE HIS 77 -3.429 16.349 -1.602 579 HE2 HIS 77 2HE HIS 77 -4.239 15.307 -3.747 580 HA PRO 78 HA PRO 78 -7.666 8.873 1.379 581 HB2 PRO 78 1HB PRO 78 -9.300 8.637 -0.776 582 HB3 PRO 78 2HB PRO 78 -9.570 9.820 0.509 583 HG2 PRO 78 1HG PRO 78 -8.310 10.200 -2.180 584 HG3 PRO 78 2HG PRO 78 -9.471 11.237 -1.332 585 HD2 PRO 78 1HD PRO 78 -6.817 11.769 -1.395 586 HD3 PRO 78 2HD PRO 78 -7.843 12.192 -0.009 587 H LEU 79 H LEU 79 -6.991 6.834 1.222 588 HA LEU 79 HA LEU 79 -5.526 5.999 -1.165 589 HB2 LEU 79 1HB LEU 79 -4.586 5.714 1.147 590 HB3 LEU 79 2HB LEU 79 -5.848 4.519 1.438 591 HG LEU 79 HG LEU 79 -4.913 3.151 -0.406 592 HD11 LEU 79 1HD1 LEU 79 -3.323 5.541 -0.790 593 HD12 LEU 79 2HD1 LEU 79 -3.594 4.177 -1.873 594 HD13 LEU 79 3HD1 LEU 79 -2.325 4.093 -0.651 595 HD21 LEU 79 1HD2 LEU 79 -3.653 2.087 1.094 596 HD22 LEU 79 2HD2 LEU 79 -4.027 3.416 2.191 597 HD23 LEU 79 3HD2 LEU 79 -2.539 3.446 1.244 598 H GLN 80 H GLN 80 -6.073 4.223 -2.395 599 HA GLN 80 HA GLN 80 -8.842 3.308 -2.086 600 HB2 GLN 80 1HB GLN 80 -7.001 3.101 -4.474 601 HB3 GLN 80 2HB GLN 80 -8.693 2.627 -4.435 602 HG2 GLN 80 1HG GLN 80 -7.743 5.431 -3.918 603 HG3 GLN 80 2HG GLN 80 -8.219 4.835 -5.507 604 HE21 GLN 80 1HE2 GLN 80 -10.423 3.747 -5.516 605 HE22 GLN 80 2HE2 GLN 80 -11.677 4.558 -4.647 606 HA PRO 81 HA PRO 81 -7.395 -0.637 -0.711 607 HB2 PRO 81 1HB PRO 81 -9.734 -1.985 -0.999 608 HB3 PRO 81 2HB PRO 81 -9.438 -0.845 0.319 609 HG2 PRO 81 1HG PRO 81 -10.921 -0.430 -2.249 610 HG3 PRO 81 2HG PRO 81 -11.351 0.096 -0.611 611 HD2 PRO 81 1HD PRO 81 -10.238 1.763 -2.431 612 HD3 PRO 81 2HD PRO 81 -9.937 1.914 -0.688 613 HA PRO 82 HA PRO 82 -6.354 -2.836 -4.392 614 HB2 PRO 82 1HB PRO 82 -5.749 -5.246 -3.298 615 HB3 PRO 82 2HB PRO 82 -4.698 -3.833 -3.150 616 HG2 PRO 82 1HG PRO 82 -6.662 -4.947 -1.184 617 HG3 PRO 82 2HG PRO 82 -5.022 -4.335 -0.903 618 HD2 PRO 82 1HD PRO 82 -7.235 -2.862 -0.389 619 HD3 PRO 82 2HD PRO 82 -5.705 -2.134 -0.920 620 H LEU 83 H LEU 83 -6.815 -5.079 -5.405 621 HA LEU 83 HA LEU 83 -9.591 -5.309 -5.806 622 HB2 LEU 83 1HB LEU 83 -7.181 -6.816 -6.650 623 HB3 LEU 83 2HB LEU 83 -8.735 -7.634 -6.791 624 HG LEU 83 HG LEU 83 -7.971 -6.533 -8.883 625 HD11 LEU 83 1HD1 LEU 83 -10.312 -6.981 -8.589 626 HD12 LEU 83 2HD1 LEU 83 -10.126 -5.399 -9.346 627 HD13 LEU 83 3HD1 LEU 83 -10.516 -5.514 -7.630 628 HD21 LEU 83 1HD2 LEU 83 -7.400 -4.374 -9.009 629 HD22 LEU 83 2HD2 LEU 83 -7.245 -4.460 -7.254 630 HD23 LEU 83 3HD2 LEU 83 -8.738 -3.862 -7.979 631 H SER 84 H SER 84 -10.667 -7.576 -5.668 632 HA SER 84 HA SER 84 -10.984 -8.186 -2.927 633 HB2 SER 84 1HB SER 84 -12.049 -9.279 -5.489 634 HB3 SER 84 2HB SER 84 -12.210 -10.272 -4.040 635 HG SER 84 HG SER 84 -12.914 -7.597 -3.797 636 HA PRO 85 HA PRO 85 -8.042 -11.338 -2.121 637 HB2 PRO 85 1HB PRO 85 -9.458 -13.087 -0.603 638 HB3 PRO 85 2HB PRO 85 -8.938 -11.504 -0.012 639 HG2 PRO 85 1HG PRO 85 -11.608 -12.348 -1.071 640 HG3 PRO 85 2HG PRO 85 -11.231 -11.333 0.334 641 HD2 PRO 85 1HD PRO 85 -12.006 -10.299 -2.045 642 HD3 PRO 85 2HD PRO 85 -10.884 -9.456 -0.958 643 H LEU 86 H LEU 86 -10.567 -11.852 -4.191 644 HA LEU 86 HA LEU 86 -10.145 -14.703 -4.568 645 HB2 LEU 86 1HB LEU 86 -11.918 -14.594 -6.173 646 HB3 LEU 86 2HB LEU 86 -12.403 -13.717 -4.723 647 HG LEU 86 HG LEU 86 -11.495 -11.656 -6.143 648 HD11 LEU 86 1HD1 LEU 86 -10.932 -13.356 -8.002 649 HD12 LEU 86 2HD1 LEU 86 -11.730 -11.846 -8.440 650 HD13 LEU 86 3HD1 LEU 86 -12.666 -13.336 -8.324 651 HD21 LEU 86 1HD2 LEU 86 -14.200 -12.945 -6.484 652 HD22 LEU 86 2HD2 LEU 86 -13.811 -11.266 -6.856 653 HD23 LEU 86 3HD2 LEU 86 -13.722 -11.845 -5.191 654 H GLU 87 H GLU 87 -9.456 -11.654 -6.192 655 HA GLU 87 HA GLU 87 -8.505 -12.701 -8.618 656 HB2 GLU 87 1HB GLU 87 -7.908 -10.139 -7.146 657 HB3 GLU 87 2HB GLU 87 -7.206 -10.505 -8.715 658 HG2 GLU 87 1HG GLU 87 -10.165 -10.607 -8.310 659 HG3 GLU 87 2HG GLU 87 -9.343 -9.075 -8.598 660 H LEU 88 H LEU 88 -6.681 -11.638 -5.744 661 HA LEU 88 HA LEU 88 -4.137 -12.296 -6.579 662 HB2 LEU 88 1HB LEU 88 -3.496 -12.323 -4.290 663 HB3 LEU 88 2HB LEU 88 -4.748 -11.098 -4.485 664 HG LEU 88 HG LEU 88 -6.319 -13.059 -3.685 665 HD11 LEU 88 1HD1 LEU 88 -3.988 -13.802 -2.018 666 HD12 LEU 88 2HD1 LEU 88 -4.073 -14.484 -3.641 667 HD13 LEU 88 3HD1 LEU 88 -5.391 -14.755 -2.501 668 HD21 LEU 88 1HD2 LEU 88 -4.559 -11.664 -1.682 669 HD22 LEU 88 2HD2 LEU 88 -6.244 -12.154 -1.500 670 HD23 LEU 88 3HD2 LEU 88 -5.821 -10.836 -2.595 671 H MET 89 H MET 89 -6.588 -14.384 -5.120 672 HA MET 89 HA MET 89 -5.056 -16.666 -4.711 673 HB2 MET 89 1HB MET 89 -7.403 -16.332 -3.940 674 HB3 MET 89 2HB MET 89 -7.945 -16.586 -5.594 675 HG2 MET 89 1HG MET 89 -6.255 -18.663 -4.300 676 HG3 MET 89 2HG MET 89 -7.953 -18.535 -3.849 677 HE1 MET 89 1HE MET 89 -10.027 -19.478 -5.699 678 HE2 MET 89 2HE MET 89 -9.550 -17.792 -5.904 679 HE3 MET 89 3HE MET 89 -9.695 -18.845 -7.312 680 H GLU 90 H GLU 90 -3.670 -17.346 -6.253 681 HA GLU 90 HA GLU 90 -4.685 -17.711 -8.984 682 HB2 GLU 90 1HB GLU 90 -2.536 -16.387 -8.463 683 HB3 GLU 90 2HB GLU 90 -1.805 -17.955 -8.151 684 HG2 GLU 90 1HG GLU 90 -3.164 -17.238 -10.734 685 HG3 GLU 90 2HG GLU 90 -1.436 -17.040 -10.446 686 H ALA 91 H ALA 91 -2.738 -19.390 -6.523 687 HA ALA 91 HA ALA 91 -3.834 -21.932 -7.494 688 HB1 ALA 91 1HB ALA 91 -0.913 -21.339 -7.061 689 HB2 ALA 91 2HB ALA 91 -1.573 -22.968 -7.215 690 HB3 ALA 91 3HB ALA 91 -1.703 -21.834 -8.559 691 H SER 92 H SER 92 -4.761 -22.961 -5.861 692 HA SER 92 HA SER 92 -4.505 -22.154 -3.169 693 HB2 SER 92 1HB SER 92 -5.953 -24.022 -2.643 694 HB3 SER 92 2HB SER 92 -6.516 -23.276 -4.139 695 HG SER 92 HG SER 92 -6.009 -25.029 -5.212 696 H GLU 93 H GLU 93 -3.990 -23.790 -1.392 697 HA GLU 93 HA GLU 93 -1.970 -25.749 -1.977 698 HB2 GLU 93 1HB GLU 93 -0.711 -23.585 -2.048 699 HB3 GLU 93 2HB GLU 93 -1.157 -23.324 -0.368 700 HG2 GLU 93 1HG GLU 93 0.231 -24.981 0.404 701 HG3 GLU 93 2HG GLU 93 0.223 -25.850 -1.129 702 H HIS 94 H HIS 94 -2.764 -27.332 -0.751 703 HA HIS 94 HA HIS 94 -4.192 -26.909 1.667 704 HB2 HIS 94 1HB HIS 94 -4.436 -28.886 0.106 705 HB3 HIS 94 2HB HIS 94 -2.922 -29.497 0.765 706 HD1 HIS 94 1HD HIS 94 -5.987 -30.642 1.027 707 HD2 HIS 94 2HD HIS 94 -3.619 -28.887 3.955 708 HE1 HIS 94 1HE HIS 94 -6.904 -31.469 3.219 709 HE2 HIS 94 2HE HIS 94 -5.509 -30.326 4.977 710 H GLY 95 H GLY 95 -0.987 -28.357 1.047 711 HA2 GLY 95 1HA GLY 95 0.845 -27.469 2.485 712 HA3 GLY 95 2HA GLY 95 -0.273 -27.656 3.829 713 H GLY 96 H GLY 96 1.217 -29.006 4.914 714 HA2 GLY 96 1HA GLY 96 1.779 -31.594 3.641 715 HA3 GLY 96 2HA GLY 96 2.590 -30.951 5.062 716 H CYS 97 H CYS 97 1.987 -31.711 6.982 717 HA CYS 97 HA CYS 97 -0.622 -33.067 7.173 718 HB2 CYS 97 1HB CYS 97 2.083 -33.892 8.176 719 HB3 CYS 97 2HB CYS 97 0.633 -34.437 9.010 720 HG CYS 97 HG CYS 97 0.916 -36.591 7.545 721 H SER 98 H SER 98 -1.716 -32.945 9.171 722 HA SER 98 HA SER 98 -0.924 -30.618 10.782 723 HB2 SER 98 1HB SER 98 -3.316 -30.594 11.508 724 HB3 SER 98 2HB SER 98 -3.110 -30.372 9.771 725 HG SER 98 HG SER 98 -3.641 -32.562 9.490 726 H THR 99 H THR 99 -0.209 -30.919 12.779 727 HA THR 99 HA THR 99 -0.764 -33.499 14.093 728 HB THR 99 HB THR 99 1.620 -33.175 13.571 729 HG1 THR 99 1HG THR 99 1.503 -32.854 16.353 730 HG21 THR 99 1HG2 THR 99 2.865 -31.362 14.211 731 HG22 THR 99 2HG2 THR 99 1.839 -31.009 15.601 732 HG23 THR 99 3HG2 THR 99 1.305 -30.576 13.977 733 HA PRO 100 HA PRO 100 -2.912 -31.272 17.235 734 HB2 PRO 100 1HB PRO 100 -2.807 -33.146 19.197 735 HB3 PRO 100 2HB PRO 100 -3.868 -33.286 17.790 736 HG2 PRO 100 1HG PRO 100 -1.206 -34.561 18.290 737 HG3 PRO 100 2HG PRO 100 -2.675 -35.273 17.598 738 HD2 PRO 100 1HD PRO 100 -0.598 -34.447 16.070 739 HD3 PRO 100 2HD PRO 100 -2.282 -34.372 15.513 740 H GLY 101 H GLY 101 -2.639 -30.730 19.628 741 HA2 GLY 101 1HA GLY 101 0.188 -30.588 20.416 742 HA3 GLY 101 2HA GLY 101 -0.734 -29.097 20.295 743 H SER 102 H SER 102 -0.194 -28.810 22.556 744 HA SER 102 HA SER 102 -1.514 -30.613 24.431 745 HB2 SER 102 1HB SER 102 -0.373 -29.287 26.172 746 HB3 SER 102 2HB SER 102 0.765 -29.882 24.963 747 HG SER 102 HG SER 102 1.306 -27.808 25.083 748 H GLY 103 H GLY 103 -2.561 -29.387 26.379 749 HA2 GLY 103 1HA GLY 103 -4.550 -27.561 25.204 750 HA3 GLY 103 2HA GLY 103 -4.805 -28.565 26.623 751 HA PRO 104 HA PRO 104 -2.988 -24.178 27.555 752 HB2 PRO 104 1HB PRO 104 -5.184 -22.585 27.447 753 HB3 PRO 104 2HB PRO 104 -4.107 -22.832 26.067 754 HG2 PRO 104 1HG PRO 104 -6.737 -24.126 26.671 755 HG3 PRO 104 2HG PRO 104 -6.127 -23.500 25.129 756 HD2 PRO 104 1HD PRO 104 -6.099 -26.137 25.744 757 HD3 PRO 104 2HD PRO 104 -4.859 -25.382 24.723 758 H SER 105 H SER 105 -3.815 -22.705 29.392 759 HA SER 105 HA SER 105 -5.807 -23.739 31.154 760 HB2 SER 105 1HB SER 105 -4.225 -25.421 31.730 761 HB3 SER 105 2HB SER 105 -2.899 -24.259 31.779 762 HG SER 105 HG SER 105 -4.939 -24.721 33.643 763 H SER 106 H SER 106 -6.097 -22.429 33.043 764 HA SER 106 HA SER 106 -5.583 -19.684 32.582 765 HB2 SER 106 1HB SER 106 -6.497 -20.967 35.166 766 HB3 SER 106 2HB SER 106 -6.728 -19.289 34.675 767 HG SER 106 HG SER 106 -8.035 -20.071 32.953 768 H GLY 107 H GLY 107 -4.435 -18.205 33.985 769 HA2 GLY 107 1HA GLY 107 -2.654 -18.977 36.003 770 HA3 GLY 107 2HA GLY 107 -1.779 -19.008 34.479 Start of MODEL 10 1 H1 GLY 1 H GLY 1 18.398 -5.886 20.283 2 HA2 GLY 1 1HA GLY 1 17.507 -6.578 18.238 3 HA3 GLY 1 2HA GLY 1 18.170 -5.014 17.785 4 H SER 2 H SER 2 19.422 -5.039 16.053 5 HA SER 2 HA SER 2 20.242 -7.428 14.793 6 HB2 SER 2 1HB SER 2 20.800 -4.516 14.349 7 HB3 SER 2 2HB SER 2 21.724 -5.725 13.456 8 HG SER 2 HG SER 2 19.075 -4.984 13.217 9 H SER 3 H SER 3 22.004 -8.642 15.028 10 HA SER 3 HA SER 3 23.837 -8.181 17.131 11 HB2 SER 3 1HB SER 3 23.182 -10.434 16.210 12 HB3 SER 3 2HB SER 3 24.202 -10.090 14.813 13 HG SER 3 HG SER 3 25.760 -10.840 15.994 14 H GLY 4 H GLY 4 24.771 -6.141 16.756 15 HA2 GLY 4 1HA GLY 4 26.589 -4.861 16.135 16 HA3 GLY 4 2HA GLY 4 27.170 -6.226 15.193 17 H SER 5 H SER 5 27.761 -4.311 13.786 18 HA SER 5 HA SER 5 25.743 -2.897 12.393 19 HB2 SER 5 1HB SER 5 28.023 -2.043 12.513 20 HB3 SER 5 2HB SER 5 28.622 -3.449 11.632 21 HG SER 5 HG SER 5 27.919 -2.622 9.812 22 H SER 6 H SER 6 25.313 -3.060 10.063 23 HA SER 6 HA SER 6 24.640 -5.761 9.359 24 HB2 SER 6 1HB SER 6 23.655 -4.712 7.322 25 HB3 SER 6 2HB SER 6 23.079 -3.983 8.821 26 HG SER 6 HG SER 6 24.282 -2.209 8.439 27 H GLY 7 H GLY 7 26.775 -3.262 7.997 28 HA2 GLY 7 1HA GLY 7 28.893 -3.686 7.050 29 HA3 GLY 7 2HA GLY 7 28.457 -5.381 6.890 30 H VAL 8 H VAL 8 26.209 -5.409 5.456 31 HA VAL 8 HA VAL 8 27.087 -4.307 2.888 32 HB VAL 8 HB VAL 8 26.648 -6.729 2.992 33 HG11 VAL 8 1HG1 VAL 8 23.836 -5.865 3.653 34 HG12 VAL 8 2HG1 VAL 8 24.292 -7.501 3.175 35 HG13 VAL 8 3HG1 VAL 8 24.927 -6.807 4.667 36 HG21 VAL 8 1HG2 VAL 8 24.432 -5.880 1.271 37 HG22 VAL 8 2HG2 VAL 8 25.932 -4.985 1.025 38 HG23 VAL 8 3HG2 VAL 8 25.917 -6.742 0.868 39 H LYS 9 H LYS 9 25.822 -2.992 1.633 40 HA LYS 9 HA LYS 9 23.297 -2.054 2.829 41 HB2 LYS 9 1HB LYS 9 25.323 -0.378 1.334 42 HB3 LYS 9 2HB LYS 9 23.801 0.195 2.006 43 HG2 LYS 9 1HG LYS 9 25.276 0.859 3.623 44 HG3 LYS 9 2HG LYS 9 24.784 -0.717 4.248 45 HD2 LYS 9 1HD LYS 9 27.069 -0.868 4.445 46 HD3 LYS 9 2HD LYS 9 26.832 -1.563 2.840 47 HE2 LYS 9 1HE LYS 9 27.350 1.368 3.200 48 HE3 LYS 9 2HE LYS 9 28.678 0.209 3.166 49 HZ1 LYS 9 1HZ LYS 9 26.949 1.111 1.012 50 HZ2 LYS 9 2HZ LYS 9 27.333 -0.536 1.004 51 HZ3 LYS 9 3HZ LYS 9 28.568 0.619 0.969 52 HA PRO 10 HA PRO 10 21.400 -3.021 -1.019 53 HB2 PRO 10 1HB PRO 10 19.291 -1.314 -0.927 54 HB3 PRO 10 2HB PRO 10 19.394 -2.770 0.071 55 HG2 PRO 10 1HG PRO 10 19.994 0.071 0.798 56 HG3 PRO 10 2HG PRO 10 19.122 -1.161 1.728 57 HD2 PRO 10 1HD PRO 10 21.708 -0.526 2.218 58 HD3 PRO 10 2HD PRO 10 21.063 -2.162 2.462 59 HA PRO 11 HA PRO 11 22.613 -0.147 -4.120 60 HB2 PRO 11 1HB PRO 11 20.701 -0.519 -6.012 61 HB3 PRO 11 2HB PRO 11 21.964 -1.709 -5.676 62 HG2 PRO 11 1HG PRO 11 19.120 -1.649 -4.742 63 HG3 PRO 11 2HG PRO 11 20.072 -3.020 -5.342 64 HD2 PRO 11 1HD PRO 11 19.642 -2.589 -2.704 65 HD3 PRO 11 2HD PRO 11 21.132 -3.331 -3.319 66 H HIS 12 H HIS 12 19.101 -0.060 -3.512 67 HA HIS 12 HA HIS 12 19.235 2.878 -3.704 68 HB2 HIS 12 1HB HIS 12 16.717 2.602 -4.325 69 HB3 HIS 12 2HB HIS 12 17.945 2.333 -5.559 70 HD1 HIS 12 1HD HIS 12 16.149 0.154 -2.994 71 HD2 HIS 12 2HD HIS 12 17.437 0.080 -6.943 72 HE1 HIS 12 1HE HIS 12 15.419 -2.076 -3.897 73 HE2 HIS 12 2HE HIS 12 16.284 -2.133 -6.262 74 H GLY 13 H GLY 13 18.269 0.118 -1.891 75 HA2 GLY 13 1HA GLY 13 18.071 0.555 0.538 76 HA3 GLY 13 2HA GLY 13 17.023 1.900 0.112 77 H PHE 14 H PHE 14 15.237 0.975 -1.589 78 HA PHE 14 HA PHE 14 13.268 -0.208 -0.214 79 HB2 PHE 14 1HB PHE 14 13.974 -0.487 -3.125 80 HB3 PHE 14 2HB PHE 14 12.535 -1.255 -2.463 81 HD1 PHE 14 1HD PHE 14 14.220 2.024 -2.852 82 HD2 PHE 14 2HD PHE 14 10.562 -0.046 -2.185 83 HE1 PHE 14 1HE PHE 14 12.982 4.135 -3.114 84 HE2 PHE 14 2HE PHE 14 9.318 2.060 -2.447 85 HZ PHE 14 HZ PHE 14 10.528 4.154 -2.912 86 H GLN 15 H GLN 15 12.464 -2.288 0.172 87 HA GLN 15 HA GLN 15 14.430 -4.459 -0.147 88 HB2 GLN 15 1HB GLN 15 12.552 -3.955 2.167 89 HB3 GLN 15 2HB GLN 15 13.536 -5.400 1.978 90 HG2 GLN 15 1HG GLN 15 15.541 -4.191 2.260 91 HG3 GLN 15 2HG GLN 15 14.716 -2.642 2.086 92 HE21 GLN 15 1HE2 GLN 15 14.949 -5.496 4.146 93 HE22 GLN 15 2HE2 GLN 15 14.559 -4.685 5.621 94 H LYS 16 H LYS 16 13.406 -6.664 0.000 95 HA LYS 16 HA LYS 16 11.095 -6.713 -1.765 96 HB2 LYS 16 1HB LYS 16 13.163 -8.699 -0.917 97 HB3 LYS 16 2HB LYS 16 11.632 -9.286 -1.555 98 HG2 LYS 16 1HG LYS 16 12.059 -8.533 -3.662 99 HG3 LYS 16 2HG LYS 16 13.076 -7.204 -3.101 100 HD2 LYS 16 1HD LYS 16 14.946 -8.523 -2.940 101 HD3 LYS 16 2HD LYS 16 14.014 -9.996 -2.661 102 HE2 LYS 16 1HE LYS 16 13.480 -10.213 -4.942 103 HE3 LYS 16 2HE LYS 16 13.969 -8.557 -5.298 104 HZ1 LYS 16 1HZ LYS 16 15.817 -10.725 -4.457 105 HZ2 LYS 16 2HZ LYS 16 16.253 -9.154 -4.908 106 HZ3 LYS 16 3HZ LYS 16 15.594 -10.210 -6.054 107 H LYS 17 H LYS 17 9.189 -7.874 -1.335 108 HA LYS 17 HA LYS 17 7.470 -8.694 -0.087 109 HB2 LYS 17 1HB LYS 17 9.497 -9.230 2.085 110 HB3 LYS 17 2HB LYS 17 7.923 -9.987 1.887 111 HG2 LYS 17 1HG LYS 17 8.808 -10.872 -0.330 112 HG3 LYS 17 2HG LYS 17 10.402 -10.379 0.245 113 HD2 LYS 17 1HD LYS 17 10.403 -11.933 1.965 114 HD3 LYS 17 2HD LYS 17 8.644 -12.075 1.972 115 HE2 LYS 17 1HE LYS 17 8.642 -13.390 0.018 116 HE3 LYS 17 2HE LYS 17 10.313 -12.973 -0.360 117 HZ1 LYS 17 1HZ LYS 17 10.648 -15.005 0.541 118 HZ2 LYS 17 2HZ LYS 17 9.271 -14.943 1.520 119 HZ3 LYS 17 3HZ LYS 17 10.674 -14.118 1.982 120 H MET 18 H MET 18 8.415 -5.898 0.062 121 HA MET 18 HA MET 18 7.433 -5.163 2.735 122 HB2 MET 18 1HB MET 18 8.527 -3.031 2.436 123 HB3 MET 18 2HB MET 18 9.680 -4.318 2.107 124 HG2 MET 18 1HG MET 18 10.142 -3.000 0.336 125 HG3 MET 18 2HG MET 18 8.819 -3.923 -0.372 126 HE1 MET 18 1HE MET 18 10.413 -1.004 -0.329 127 HE2 MET 18 2HE MET 18 9.258 0.277 -0.696 128 HE3 MET 18 3HE MET 18 9.690 -0.067 0.979 129 H LYS 19 H LYS 19 6.422 -2.784 2.557 130 HA LYS 19 HA LYS 19 4.406 -2.880 0.409 131 HB2 LYS 19 1HB LYS 19 4.066 -2.227 3.333 132 HB3 LYS 19 2HB LYS 19 2.874 -1.773 2.122 133 HG2 LYS 19 1HG LYS 19 3.782 -4.589 2.681 134 HG3 LYS 19 2HG LYS 19 2.300 -3.853 3.296 135 HD2 LYS 19 1HD LYS 19 1.930 -3.349 0.717 136 HD3 LYS 19 2HD LYS 19 2.983 -4.756 0.548 137 HE2 LYS 19 1HE LYS 19 1.358 -5.808 2.306 138 HE3 LYS 19 2HE LYS 19 0.254 -4.553 1.745 139 HZ1 LYS 19 1HZ LYS 19 -0.138 -5.671 -0.117 140 HZ2 LYS 19 2HZ LYS 19 0.659 -6.990 0.579 141 HZ3 LYS 19 3HZ LYS 19 1.507 -5.923 -0.423 142 H LEU 20 H LEU 20 3.947 -1.007 -0.640 143 HA LEU 20 HA LEU 20 4.794 1.548 0.409 144 HB2 LEU 20 1HB LEU 20 6.498 2.034 -1.006 145 HB3 LEU 20 2HB LEU 20 6.732 0.292 -0.877 146 HG LEU 20 HG LEU 20 5.165 0.308 -3.023 147 HD11 LEU 20 1HD1 LEU 20 4.709 2.425 -3.616 148 HD12 LEU 20 2HD1 LEU 20 6.330 2.386 -4.308 149 HD13 LEU 20 3HD1 LEU 20 6.070 3.084 -2.709 150 HD21 LEU 20 1HD2 LEU 20 7.858 -0.074 -2.495 151 HD22 LEU 20 2HD2 LEU 20 7.840 1.063 -3.842 152 HD23 LEU 20 3HD2 LEU 20 7.009 -0.486 -3.985 153 H GLU 21 H GLU 21 3.653 3.231 -0.445 154 HA GLU 21 HA GLU 21 1.380 2.549 -2.085 155 HB2 GLU 21 1HB GLU 21 2.275 5.132 -0.803 156 HB3 GLU 21 2HB GLU 21 0.818 4.993 -1.777 157 HG2 GLU 21 1HG GLU 21 -0.005 3.263 -0.203 158 HG3 GLU 21 2HG GLU 21 1.409 3.566 0.805 159 H VAL 22 H VAL 22 1.474 2.506 -4.222 160 HA VAL 22 HA VAL 22 3.392 4.264 -5.597 161 HB VAL 22 HB VAL 22 2.097 1.707 -6.553 162 HG11 VAL 22 1HG1 VAL 22 3.755 3.764 -7.944 163 HG12 VAL 22 2HG1 VAL 22 3.896 2.067 -8.409 164 HG13 VAL 22 3HG1 VAL 22 2.337 2.887 -8.518 165 HG21 VAL 22 1HG2 VAL 22 4.457 0.889 -6.556 166 HG22 VAL 22 2HG2 VAL 22 4.918 2.375 -5.724 167 HG23 VAL 22 3HG2 VAL 22 3.813 1.238 -4.951 168 H VAL 23 H VAL 23 2.712 5.728 -7.063 169 HA VAL 23 HA VAL 23 -0.114 6.294 -7.199 170 HB VAL 23 HB VAL 23 2.269 7.673 -8.437 171 HG11 VAL 23 1HG1 VAL 23 -0.579 8.655 -8.391 172 HG12 VAL 23 2HG1 VAL 23 0.811 9.423 -9.161 173 HG13 VAL 23 3HG1 VAL 23 0.181 7.901 -9.792 174 HG21 VAL 23 1HG2 VAL 23 1.478 7.671 -5.845 175 HG22 VAL 23 2HG2 VAL 23 2.328 9.005 -6.624 176 HG23 VAL 23 3HG2 VAL 23 0.572 9.048 -6.472 177 H ASP 24 H ASP 24 -1.459 5.566 -8.698 178 HA ASP 24 HA ASP 24 -0.692 3.864 -10.788 179 HB2 ASP 24 1HB ASP 24 -3.010 4.216 -9.636 180 HB3 ASP 24 2HB ASP 24 -3.252 5.424 -10.895 181 H LYS 25 H LYS 25 0.010 4.218 -12.793 182 HA LYS 25 HA LYS 25 0.759 6.780 -13.674 183 HB2 LYS 25 1HB LYS 25 0.348 4.410 -15.488 184 HB3 LYS 25 2HB LYS 25 1.493 5.732 -15.672 185 HG2 LYS 25 1HG LYS 25 1.588 3.585 -13.562 186 HG3 LYS 25 2HG LYS 25 2.618 3.694 -14.991 187 HD2 LYS 25 1HD LYS 25 3.851 5.424 -14.139 188 HD3 LYS 25 2HD LYS 25 2.518 6.031 -13.153 189 HE2 LYS 25 1HE LYS 25 2.831 3.818 -11.832 190 HE3 LYS 25 2HE LYS 25 4.417 3.784 -12.601 191 HZ1 LYS 25 1HZ LYS 25 5.098 5.656 -11.487 192 HZ2 LYS 25 2HZ LYS 25 4.122 4.927 -10.314 193 HZ3 LYS 25 3HZ LYS 25 3.526 6.224 -11.222 194 H ARG 26 H ARG 26 -1.824 4.629 -14.867 195 HA ARG 26 HA ARG 26 -2.914 6.371 -16.742 196 HB2 ARG 26 1HB ARG 26 -5.111 5.022 -16.012 197 HB3 ARG 26 2HB ARG 26 -3.842 4.311 -17.001 198 HG2 ARG 26 1HG ARG 26 -3.554 4.069 -14.066 199 HG3 ARG 26 2HG ARG 26 -4.823 3.117 -14.840 200 HD2 ARG 26 1HD ARG 26 -2.372 2.182 -14.570 201 HD3 ARG 26 2HD ARG 26 -3.339 1.828 -16.001 202 HE ARG 26 HE ARG 26 -1.958 4.136 -16.585 203 HH11 ARG 26 2HH1 ARG 26 -1.156 0.866 -15.700 204 HH12 ARG 26 1HH1 ARG 26 0.345 0.861 -16.565 205 HH21 ARG 26 2HH2 ARG 26 0.016 4.142 -17.728 206 HH22 ARG 26 1HH2 ARG 26 1.011 2.726 -17.718 207 H ASN 27 H ASN 27 -3.324 6.225 -13.274 208 HA ASN 27 HA ASN 27 -4.885 8.708 -13.410 209 HB2 ASN 27 1HB ASN 27 -5.498 6.446 -11.497 210 HB3 ASN 27 2HB ASN 27 -6.387 7.956 -11.668 211 HD21 ASN 27 1HD2 ASN 27 -8.170 7.836 -12.807 212 HD22 ASN 27 2HD2 ASN 27 -8.514 6.684 -14.047 213 HA PRO 28 HA PRO 28 -1.327 9.442 -10.662 214 HB2 PRO 28 1HB PRO 28 -1.265 12.116 -11.124 215 HB3 PRO 28 2HB PRO 28 -0.518 10.937 -12.207 216 HG2 PRO 28 1HG PRO 28 -3.161 12.321 -12.447 217 HG3 PRO 28 2HG PRO 28 -1.943 12.011 -13.698 218 HD2 PRO 28 1HD PRO 28 -4.168 10.492 -13.424 219 HD3 PRO 28 2HD PRO 28 -2.624 9.830 -13.999 220 H MET 29 H MET 29 -4.589 10.254 -10.574 221 HA MET 29 HA MET 29 -4.339 11.785 -8.087 222 HB2 MET 29 1HB MET 29 -6.472 11.472 -10.145 223 HB3 MET 29 2HB MET 29 -6.965 11.829 -8.495 224 HG2 MET 29 1HG MET 29 -5.507 13.814 -8.520 225 HG3 MET 29 2HG MET 29 -5.108 13.470 -10.202 226 HE1 MET 29 1HE MET 29 -7.333 15.709 -11.891 227 HE2 MET 29 2HE MET 29 -5.766 14.935 -11.653 228 HE3 MET 29 3HE MET 29 -7.111 14.014 -12.326 229 H PHE 30 H PHE 30 -4.225 8.700 -8.765 230 HA PHE 30 HA PHE 30 -5.803 7.930 -6.408 231 HB2 PHE 30 1HB PHE 30 -5.806 6.683 -9.133 232 HB3 PHE 30 2HB PHE 30 -6.101 5.682 -7.715 233 HD1 PHE 30 2HD PHE 30 -7.255 8.859 -9.285 234 HD2 PHE 30 1HD PHE 30 -8.258 5.440 -6.956 235 HE1 PHE 30 2HE PHE 30 -9.617 9.547 -9.298 236 HE2 PHE 30 1HE PHE 30 -10.622 6.122 -6.967 237 HZ PHE 30 HZ PHE 30 -11.304 8.178 -8.138 238 H ILE 31 H ILE 31 -4.807 6.580 -5.005 239 HA ILE 31 HA ILE 31 -2.230 5.415 -5.820 240 HB ILE 31 HB ILE 31 -2.827 6.828 -3.220 241 HG12 ILE 31 1HG1 ILE 31 -0.520 7.472 -5.001 242 HG13 ILE 31 2HG1 ILE 31 -2.122 8.020 -5.486 243 HG21 ILE 31 1HG2 ILE 31 -0.579 6.237 -2.527 244 HG22 ILE 31 2HG2 ILE 31 -1.514 4.781 -2.863 245 HG23 ILE 31 3HG2 ILE 31 -0.325 5.354 -4.033 246 HD11 ILE 31 1HD1 ILE 31 -2.226 8.953 -3.059 247 HD12 ILE 31 2HD1 ILE 31 -0.468 8.830 -3.148 248 HD13 ILE 31 3HD1 ILE 31 -1.343 9.825 -4.312 249 H ARG 32 H ARG 32 -1.713 3.424 -4.952 250 HA ARG 32 HA ARG 32 -3.594 2.198 -3.079 251 HB2 ARG 32 1HB ARG 32 -2.910 1.124 -5.813 252 HB3 ARG 32 2HB ARG 32 -3.567 0.113 -4.533 253 HG2 ARG 32 1HG ARG 32 -5.524 1.661 -4.424 254 HG3 ARG 32 2HG ARG 32 -4.883 2.471 -5.855 255 HD2 ARG 32 1HD ARG 32 -4.899 0.195 -6.973 256 HD3 ARG 32 2HD ARG 32 -5.848 -0.367 -5.597 257 HE ARG 32 HE ARG 32 -7.670 0.711 -6.464 258 HH11 ARG 32 2HH1 ARG 32 -4.794 1.922 -8.007 259 HH12 ARG 32 1HH1 ARG 32 -5.660 2.860 -9.178 260 HH21 ARG 32 2HH2 ARG 32 -8.822 1.941 -8.001 261 HH22 ARG 32 1HH2 ARG 32 -7.951 2.871 -9.173 262 H VAL 33 H VAL 33 -2.775 0.172 -2.156 263 HA VAL 33 HA VAL 33 -0.081 0.417 -1.341 264 HB VAL 33 HB VAL 33 -2.120 -1.767 -0.997 265 HG11 VAL 33 1HG1 VAL 33 -0.477 -2.766 0.633 266 HG12 VAL 33 2HG1 VAL 33 -0.075 -2.967 -1.073 267 HG13 VAL 33 3HG1 VAL 33 0.755 -1.746 -0.108 268 HG21 VAL 33 1HG2 VAL 33 -0.987 -0.621 1.391 269 HG22 VAL 33 2HG2 VAL 33 -1.614 0.640 0.329 270 HG23 VAL 33 3HG2 VAL 33 -2.668 -0.670 0.860 271 H ALA 34 H ALA 34 1.729 -0.818 -1.818 272 HA ALA 34 HA ALA 34 1.526 -2.644 -4.113 273 HB1 ALA 34 1HB ALA 34 3.943 -0.946 -3.975 274 HB2 ALA 34 2HB ALA 34 3.059 -1.556 -5.375 275 HB3 ALA 34 3HB ALA 34 2.447 -0.163 -4.484 276 H THR 35 H THR 35 3.586 -3.935 -4.385 277 HA THR 35 HA THR 35 4.997 -4.386 -1.859 278 HB THR 35 HB THR 35 3.762 -6.652 -3.432 279 HG1 THR 35 1HG THR 35 2.398 -5.095 -2.023 280 HG21 THR 35 1HG2 THR 35 4.380 -7.420 -0.809 281 HG22 THR 35 2HG2 THR 35 5.779 -6.511 -1.380 282 HG23 THR 35 3HG2 THR 35 5.205 -7.909 -2.288 283 H VAL 36 H VAL 36 7.091 -4.264 -2.297 284 HA VAL 36 HA VAL 36 8.193 -4.355 -4.881 285 HB VAL 36 HB VAL 36 9.639 -4.775 -2.262 286 HG11 VAL 36 1HG1 VAL 36 11.027 -3.405 -4.428 287 HG12 VAL 36 2HG1 VAL 36 11.570 -4.722 -3.387 288 HG13 VAL 36 3HG1 VAL 36 10.600 -5.071 -4.818 289 HG21 VAL 36 1HG2 VAL 36 10.041 -2.378 -2.280 290 HG22 VAL 36 2HG2 VAL 36 9.105 -2.214 -3.766 291 HG23 VAL 36 3HG2 VAL 36 8.309 -2.710 -2.273 292 H ALA 37 H ALA 37 7.966 -6.161 -6.075 293 HA ALA 37 HA ALA 37 8.301 -8.790 -4.921 294 HB1 ALA 37 1HB ALA 37 8.137 -8.394 -7.862 295 HB2 ALA 37 2HB ALA 37 7.383 -9.618 -6.839 296 HB3 ALA 37 3HB ALA 37 6.728 -7.982 -6.884 297 H ASP 38 H ASP 38 10.048 -6.699 -7.182 298 HA ASP 38 HA ASP 38 12.474 -8.244 -6.646 299 HB2 ASP 38 1HB ASP 38 11.276 -8.932 -8.850 300 HB3 ASP 38 2HB ASP 38 11.878 -7.396 -9.465 301 H THR 39 H THR 39 14.240 -7.007 -6.384 302 HA THR 39 HA THR 39 13.951 -4.126 -6.907 303 HB THR 39 HB THR 39 15.755 -3.822 -5.221 304 HG1 THR 39 1HG THR 39 16.851 -5.644 -4.955 305 HG21 THR 39 1HG2 THR 39 13.211 -5.225 -4.445 306 HG22 THR 39 2HG2 THR 39 13.582 -3.502 -4.381 307 HG23 THR 39 3HG2 THR 39 14.341 -4.611 -3.239 308 H ASP 40 H ASP 40 14.948 -3.488 -8.698 309 HA ASP 40 HA ASP 40 17.241 -4.954 -9.719 310 HB2 ASP 40 1HB ASP 40 15.215 -3.932 -11.064 311 HB3 ASP 40 2HB ASP 40 16.194 -2.469 -11.012 312 H ASP 41 H ASP 41 18.832 -3.204 -10.901 313 HA ASP 41 HA ASP 41 20.542 -2.279 -8.962 314 HB2 ASP 41 1HB ASP 41 20.150 -1.215 -11.766 315 HB3 ASP 41 2HB ASP 41 21.530 -0.833 -10.741 316 H HIS 42 H HIS 42 18.461 -0.152 -10.935 317 HA HIS 42 HA HIS 42 18.258 1.640 -8.605 318 HB2 HIS 42 1HB HIS 42 18.116 2.752 -11.375 319 HB3 HIS 42 2HB HIS 42 18.645 3.525 -9.883 320 HD1 HIS 42 1HD HIS 42 21.106 3.633 -9.491 321 HD2 HIS 42 2HD HIS 42 20.100 0.901 -12.454 322 HE1 HIS 42 1HE HIS 42 23.292 2.874 -10.475 323 HE2 HIS 42 2HE HIS 42 22.655 1.286 -12.323 324 H ARG 43 H ARG 43 16.474 -0.501 -9.556 325 HA ARG 43 HA ARG 43 14.034 1.088 -9.651 326 HB2 ARG 43 1HB ARG 43 14.310 -1.209 -11.567 327 HB3 ARG 43 2HB ARG 43 13.130 0.095 -11.572 328 HG2 ARG 43 1HG ARG 43 15.072 1.650 -12.073 329 HG3 ARG 43 2HG ARG 43 16.015 0.192 -12.390 330 HD2 ARG 43 1HD ARG 43 13.366 0.593 -13.720 331 HD3 ARG 43 2HD ARG 43 14.802 1.400 -14.348 332 HE ARG 43 HE ARG 43 15.382 -1.318 -13.992 333 HH11 ARG 43 2HH1 ARG 43 13.422 0.751 -15.991 334 HH12 ARG 43 1HH1 ARG 43 13.447 -0.321 -17.352 335 HH21 ARG 43 2HH2 ARG 43 15.422 -2.738 -15.776 336 HH22 ARG 43 1HH2 ARG 43 14.584 -2.306 -17.228 337 H VAL 44 H VAL 44 12.070 -0.404 -9.453 338 HA VAL 44 HA VAL 44 12.573 -2.943 -8.154 339 HB VAL 44 HB VAL 44 11.333 -2.355 -6.103 340 HG11 VAL 44 1HG1 VAL 44 13.164 -1.490 -4.969 341 HG12 VAL 44 2HG1 VAL 44 13.895 -2.187 -6.416 342 HG13 VAL 44 3HG1 VAL 44 13.629 -0.446 -6.312 343 HG21 VAL 44 1HG2 VAL 44 11.453 0.313 -5.769 344 HG22 VAL 44 2HG2 VAL 44 11.121 0.235 -7.500 345 HG23 VAL 44 3HG2 VAL 44 10.020 -0.533 -6.356 346 H LYS 45 H LYS 45 11.112 -4.272 -8.978 347 HA LYS 45 HA LYS 45 8.819 -3.413 -10.382 348 HB2 LYS 45 1HB LYS 45 10.086 -5.584 -10.700 349 HB3 LYS 45 2HB LYS 45 9.276 -6.177 -9.256 350 HG2 LYS 45 1HG LYS 45 7.176 -6.157 -10.284 351 HG3 LYS 45 2HG LYS 45 7.733 -5.117 -11.598 352 HD2 LYS 45 1HD LYS 45 9.360 -7.115 -12.078 353 HD3 LYS 45 2HD LYS 45 8.162 -8.042 -11.172 354 HE2 LYS 45 1HE LYS 45 6.466 -6.860 -12.767 355 HE3 LYS 45 2HE LYS 45 7.885 -6.616 -13.784 356 HZ1 LYS 45 1HZ LYS 45 6.977 -8.621 -14.501 357 HZ2 LYS 45 2HZ LYS 45 6.655 -9.164 -12.931 358 HZ3 LYS 45 3HZ LYS 45 8.249 -9.102 -13.494 359 H VAL 46 H VAL 46 7.112 -2.487 -9.462 360 HA VAL 46 HA VAL 46 6.329 -3.215 -6.749 361 HB VAL 46 HB VAL 46 4.597 -1.364 -7.131 362 HG11 VAL 46 1HG1 VAL 46 6.923 0.214 -7.309 363 HG12 VAL 46 2HG1 VAL 46 6.066 -0.297 -5.853 364 HG13 VAL 46 3HG1 VAL 46 7.383 -1.280 -6.493 365 HG21 VAL 46 1HG2 VAL 46 4.617 -0.093 -9.002 366 HG22 VAL 46 2HG2 VAL 46 6.356 -0.265 -9.234 367 HG23 VAL 46 3HG2 VAL 46 5.269 -1.564 -9.723 368 H HIS 47 H HIS 47 4.830 -4.696 -6.370 369 HA HIS 47 HA HIS 47 2.982 -5.430 -8.532 370 HB2 HIS 47 1HB HIS 47 4.283 -7.297 -7.745 371 HB3 HIS 47 2HB HIS 47 3.877 -6.937 -6.069 372 HD1 HIS 47 1HD HIS 47 2.673 -8.732 -9.054 373 HD2 HIS 47 2HD HIS 47 1.171 -7.572 -5.358 374 HE1 HIS 47 1HE HIS 47 0.570 -10.072 -8.732 375 HE2 HIS 47 2HE HIS 47 -0.366 -9.291 -6.528 376 H PHE 48 H PHE 48 0.992 -4.655 -8.414 377 HA PHE 48 HA PHE 48 -0.021 -3.456 -6.012 378 HB2 PHE 48 1HB PHE 48 -1.135 -3.872 -8.777 379 HB3 PHE 48 2HB PHE 48 -2.136 -3.237 -7.476 380 HD1 PHE 48 1HD PHE 48 1.397 -2.610 -8.497 381 HD2 PHE 48 2HD PHE 48 -2.474 -0.989 -7.785 382 HE1 PHE 48 1HE PHE 48 2.266 -0.351 -8.938 383 HE2 PHE 48 2HE PHE 48 -1.611 1.272 -8.226 384 HZ PHE 48 HZ PHE 48 0.761 1.594 -8.804 385 H ASP 49 H ASP 49 -0.390 -4.934 -4.428 386 HA ASP 49 HA ASP 49 -1.169 -7.489 -4.436 387 HB2 ASP 49 1HB ASP 49 -0.879 -5.971 -2.420 388 HB3 ASP 49 2HB ASP 49 -2.563 -5.503 -2.641 389 H GLY 50 H GLY 50 -2.932 -8.734 -4.848 390 HA2 GLY 50 1HA GLY 50 -5.151 -9.241 -5.349 391 HA3 GLY 50 2HA GLY 50 -5.526 -7.524 -5.312 392 H TRP 51 H TRP 51 -4.479 -6.255 -7.171 393 HA TRP 51 HA TRP 51 -5.589 -6.932 -9.559 394 HB2 TRP 51 1HB TRP 51 -3.014 -5.406 -9.120 395 HB3 TRP 51 2HB TRP 51 -3.917 -5.427 -10.632 396 HD1 TRP 51 HD TRP 51 -4.404 -4.327 -6.950 397 HE1 TRP 51 1HE TRP 51 -6.036 -2.336 -6.926 398 HE3 TRP 51 3HE TRP 51 -5.586 -4.186 -11.922 399 HZ2 TRP 51 2HZ TRP 51 -7.615 -0.897 -8.771 400 HZ3 TRP 51 3HZ TRP 51 -7.165 -2.472 -12.711 401 HH2 TRP 51 HH TRP 51 -8.158 -0.863 -11.166 402 H ASN 52 H ASN 52 -4.510 -7.521 -11.643 403 HA ASN 52 HA ASN 52 -3.240 -10.062 -11.364 404 HB2 ASN 52 1HB ASN 52 -4.848 -9.161 -13.235 405 HB3 ASN 52 2HB ASN 52 -3.353 -8.598 -13.976 406 HD21 ASN 52 1HD2 ASN 52 -4.296 -10.162 -15.611 407 HD22 ASN 52 2HD2 ASN 52 -3.753 -11.799 -15.504 408 H ASN 53 H ASN 53 -1.253 -10.591 -12.708 409 HA ASN 53 HA ASN 53 0.892 -8.893 -11.824 410 HB2 ASN 53 1HB ASN 53 0.781 -11.506 -13.320 411 HB3 ASN 53 2HB ASN 53 2.299 -10.651 -13.060 412 HD21 ASN 53 1HD2 ASN 53 3.383 -11.162 -11.307 413 HD22 ASN 53 2HD2 ASN 53 2.734 -11.900 -9.887 414 H CYS 54 H CYS 54 -1.011 -9.126 -14.625 415 HA CYS 54 HA CYS 54 0.921 -8.242 -16.531 416 HB2 CYS 54 1HB CYS 54 -0.897 -8.059 -18.060 417 HB3 CYS 54 2HB CYS 54 -1.225 -9.469 -17.061 418 HG CYS 54 HG CYS 54 -2.704 -6.398 -16.752 419 H TYR 55 H TYR 55 -0.791 -6.699 -14.050 420 HA TYR 55 HA TYR 55 -0.808 -4.084 -15.311 421 HB2 TYR 55 1HB TYR 55 -1.747 -5.164 -12.673 422 HB3 TYR 55 2HB TYR 55 -1.563 -3.428 -12.902 423 HD1 TYR 55 2HD TYR 55 -3.473 -6.403 -13.857 424 HD2 TYR 55 1HD TYR 55 -3.043 -2.204 -14.387 425 HE1 TYR 55 2HE TYR 55 -5.696 -6.313 -14.907 426 HE2 TYR 55 1HE TYR 55 -5.264 -2.102 -15.437 427 HH TYR 55 HH TYR 55 -7.481 -4.656 -15.297 428 H ASP 56 H ASP 56 1.155 -5.938 -13.134 429 HA ASP 56 HA ASP 56 2.565 -3.953 -11.802 430 HB2 ASP 56 1HB ASP 56 3.893 -6.458 -12.816 431 HB3 ASP 56 2HB ASP 56 4.189 -5.590 -11.312 432 H TYR 57 H TYR 57 4.701 -3.095 -12.178 433 HA TYR 57 HA TYR 57 5.802 -3.192 -14.842 434 HB2 TYR 57 1HB TYR 57 5.697 -0.620 -14.993 435 HB3 TYR 57 2HB TYR 57 4.241 -1.528 -15.385 436 HD1 TYR 57 2HD TYR 57 5.888 0.242 -12.545 437 HD2 TYR 57 1HD TYR 57 2.234 -0.974 -14.355 438 HE1 TYR 57 2HE TYR 57 4.635 1.541 -10.875 439 HE2 TYR 57 1HE TYR 57 0.971 0.323 -12.690 440 HH TYR 57 HH TYR 57 1.538 2.439 -11.190 441 H TRP 58 H TRP 58 7.862 -2.129 -15.004 442 HA TRP 58 HA TRP 58 9.315 -2.217 -12.516 443 HB2 TRP 58 1HB TRP 58 10.015 -2.039 -15.403 444 HB3 TRP 58 2HB TRP 58 11.195 -1.433 -14.244 445 HD1 TRP 58 HD TRP 58 10.070 -4.567 -15.860 446 HE1 TRP 58 1HE TRP 58 11.203 -6.602 -14.765 447 HE3 TRP 58 3HE TRP 58 11.985 -2.288 -11.704 448 HZ2 TRP 58 2HZ TRP 58 12.710 -7.166 -12.445 449 HZ3 TRP 58 3HZ TRP 58 13.260 -3.647 -10.096 450 HH2 TRP 58 HH TRP 58 13.613 -6.035 -10.460 451 H ILE 59 H ILE 59 9.107 -0.514 -11.200 452 HA ILE 59 HA ILE 59 9.241 2.184 -12.369 453 HB ILE 59 HB ILE 59 7.226 1.545 -10.963 454 HG12 ILE 59 1HG1 ILE 59 8.751 3.860 -9.787 455 HG13 ILE 59 2HG1 ILE 59 8.151 3.903 -11.442 456 HG21 ILE 59 1HG2 ILE 59 7.553 1.693 -8.508 457 HG22 ILE 59 2HG2 ILE 59 8.311 0.277 -9.236 458 HG23 ILE 59 3HG2 ILE 59 9.296 1.666 -8.777 459 HD11 ILE 59 1HD1 ILE 59 6.767 4.845 -9.385 460 HD12 ILE 59 2HD1 ILE 59 5.995 4.120 -10.796 461 HD13 ILE 59 3HD1 ILE 59 6.220 3.169 -9.328 462 H ASP 60 H ASP 60 10.663 3.709 -11.552 463 HA ASP 60 HA ASP 60 13.099 2.683 -10.469 464 HB2 ASP 60 1HB ASP 60 12.161 5.493 -11.061 465 HB3 ASP 60 2HB ASP 60 13.773 5.118 -10.458 466 H ALA 61 H ALA 61 13.686 2.492 -8.412 467 HA ALA 61 HA ALA 61 11.944 2.948 -6.274 468 HB1 ALA 61 1HB ALA 61 14.425 1.726 -6.635 469 HB2 ALA 61 2HB ALA 61 14.692 2.968 -5.411 470 HB3 ALA 61 3HB ALA 61 13.447 1.744 -5.167 471 H ASP 62 H ASP 62 14.051 5.091 -7.928 472 HA ASP 62 HA ASP 62 14.025 7.034 -5.741 473 HB2 ASP 62 1HB ASP 62 15.493 6.942 -8.377 474 HB3 ASP 62 2HB ASP 62 15.508 8.355 -7.325 475 H SER 63 H SER 63 11.908 6.160 -7.978 476 HA SER 63 HA SER 63 11.264 8.538 -9.355 477 HB2 SER 63 1HB SER 63 10.465 6.251 -9.984 478 HB3 SER 63 2HB SER 63 9.375 6.297 -8.598 479 HG SER 63 HG SER 63 8.102 7.632 -9.635 480 HA PRO 64 HA PRO 64 9.390 10.973 -6.201 481 HB2 PRO 64 1HB PRO 64 7.873 12.590 -7.767 482 HB3 PRO 64 2HB PRO 64 9.629 12.746 -7.643 483 HG2 PRO 64 1HG PRO 64 7.992 11.411 -9.764 484 HG3 PRO 64 2HG PRO 64 9.409 12.461 -9.940 485 HD2 PRO 64 1HD PRO 64 9.565 9.763 -10.113 486 HD3 PRO 64 2HD PRO 64 10.888 10.757 -9.469 487 H ASP 65 H ASP 65 7.453 9.278 -8.576 488 HA ASP 65 HA ASP 65 4.926 9.744 -7.368 489 HB2 ASP 65 1HB ASP 65 5.422 7.256 -8.939 490 HB3 ASP 65 2HB ASP 65 4.057 8.368 -8.998 491 H ILE 66 H ILE 66 7.401 7.281 -6.973 492 HA ILE 66 HA ILE 66 5.926 5.428 -5.474 493 HB ILE 66 HB ILE 66 8.868 6.056 -5.552 494 HG12 ILE 66 1HG1 ILE 66 7.282 3.652 -6.480 495 HG13 ILE 66 2HG1 ILE 66 7.804 4.973 -7.520 496 HG21 ILE 66 1HG2 ILE 66 8.606 5.249 -3.360 497 HG22 ILE 66 2HG2 ILE 66 7.417 4.047 -3.856 498 HG23 ILE 66 3HG2 ILE 66 9.110 3.850 -4.308 499 HD11 ILE 66 1HD1 ILE 66 10.170 4.327 -6.554 500 HD12 ILE 66 2HD1 ILE 66 9.375 2.771 -6.311 501 HD13 ILE 66 3HD1 ILE 66 9.460 3.476 -7.926 502 H HIS 67 H HIS 67 4.964 5.683 -3.580 503 HA HIS 67 HA HIS 67 6.188 7.501 -1.609 504 HB2 HIS 67 1HB HIS 67 3.248 6.995 -2.113 505 HB3 HIS 67 2HB HIS 67 3.885 7.948 -0.776 506 HD1 HIS 67 1HD HIS 67 5.514 10.031 -1.703 507 HD2 HIS 67 2HD HIS 67 2.588 8.521 -4.236 508 HE1 HIS 67 1HE HIS 67 5.136 11.817 -3.433 509 HE2 HIS 67 2HE HIS 67 3.301 10.916 -4.904 510 HA PRO 68 HA PRO 68 6.384 4.019 1.079 511 HB2 PRO 68 1HB PRO 68 6.547 5.330 3.451 512 HB3 PRO 68 2HB PRO 68 7.891 5.245 2.306 513 HG2 PRO 68 1HG PRO 68 5.924 7.456 2.757 514 HG3 PRO 68 2HG PRO 68 7.677 7.552 2.510 515 HD2 PRO 68 1HD PRO 68 5.897 8.052 0.531 516 HD3 PRO 68 2HD PRO 68 7.493 7.337 0.222 517 H VAL 69 H VAL 69 5.190 2.902 2.699 518 HA VAL 69 HA VAL 69 2.413 3.111 2.504 519 HB VAL 69 HB VAL 69 4.192 1.686 4.464 520 HG11 VAL 69 1HG1 VAL 69 1.346 2.281 4.730 521 HG12 VAL 69 2HG1 VAL 69 1.721 0.558 4.818 522 HG13 VAL 69 3HG1 VAL 69 2.498 1.689 5.926 523 HG21 VAL 69 1HG2 VAL 69 3.972 0.892 2.105 524 HG22 VAL 69 2HG2 VAL 69 3.474 -0.288 3.318 525 HG23 VAL 69 3HG2 VAL 69 2.258 0.615 2.415 526 H GLY 70 H GLY 70 1.361 4.915 3.103 527 HA2 GLY 70 1HA GLY 70 0.255 5.803 5.148 528 HA3 GLY 70 2HA GLY 70 1.868 5.930 5.833 529 H TRP 71 H TRP 71 1.815 6.687 2.544 530 HA TRP 71 HA TRP 71 2.511 9.401 3.030 531 HB2 TRP 71 1HB TRP 71 3.535 8.490 1.137 532 HB3 TRP 71 2HB TRP 71 2.040 7.757 0.563 533 HD1 TRP 71 HD TRP 71 4.197 10.729 0.058 534 HE1 TRP 71 1HE TRP 71 3.036 12.427 -1.489 535 HE3 TRP 71 3HE TRP 71 -0.515 8.746 0.068 536 HZ2 TRP 71 2HZ TRP 71 0.463 12.867 -2.563 537 HZ3 TRP 71 3HZ TRP 71 -2.269 9.866 -1.245 538 HH2 TRP 71 HH TRP 71 -1.788 11.884 -2.532 539 H CYS 72 H CYS 72 -0.461 7.813 2.737 540 HA CYS 72 HA CYS 72 -2.022 9.796 1.479 541 HB2 CYS 72 1HB CYS 72 -3.928 8.603 2.290 542 HB3 CYS 72 2HB CYS 72 -2.701 7.405 1.898 543 HG CYS 72 HG CYS 72 -3.287 8.523 5.077 544 H SER 73 H SER 73 -0.671 9.570 4.634 545 HA SER 73 HA SER 73 -2.504 11.426 5.862 546 HB2 SER 73 1HB SER 73 -0.050 9.956 6.726 547 HB3 SER 73 2HB SER 73 -0.537 11.383 7.640 548 HG SER 73 HG SER 73 -2.503 10.414 8.064 549 H LYS 74 H LYS 74 0.968 11.532 5.052 550 HA LYS 74 HA LYS 74 1.706 14.020 5.675 551 HB2 LYS 74 1HB LYS 74 2.223 12.569 3.082 552 HB3 LYS 74 2HB LYS 74 3.023 14.079 3.499 553 HG2 LYS 74 1HG LYS 74 4.157 13.099 5.312 554 HG3 LYS 74 2HG LYS 74 3.132 11.662 5.276 555 HD2 LYS 74 1HD LYS 74 5.011 10.862 4.230 556 HD3 LYS 74 2HD LYS 74 4.092 11.437 2.838 557 HE2 LYS 74 1HE LYS 74 5.955 13.317 4.205 558 HE3 LYS 74 2HE LYS 74 6.631 12.067 3.162 559 HZ1 LYS 74 1HZ LYS 74 5.179 12.877 1.374 560 HZ2 LYS 74 2HZ LYS 74 6.260 14.064 1.905 561 HZ3 LYS 74 3HZ LYS 74 4.638 14.125 2.380 562 H THR 75 H THR 75 0.554 13.519 2.348 563 HA THR 75 HA THR 75 -0.168 16.269 2.070 564 HB THR 75 HB THR 75 -0.838 15.748 -0.151 565 HG1 THR 75 1HG THR 75 -2.129 13.954 0.130 566 HG21 THR 75 1HG2 THR 75 1.461 15.667 -0.224 567 HG22 THR 75 2HG2 THR 75 1.065 14.057 -0.825 568 HG23 THR 75 3HG2 THR 75 1.553 14.276 0.855 569 H GLY 76 H GLY 76 -1.869 13.329 2.888 570 HA2 GLY 76 1HA GLY 76 -3.915 13.252 4.042 571 HA3 GLY 76 2HA GLY 76 -4.218 14.918 3.571 572 H HIS 77 H HIS 77 -3.217 12.580 1.204 573 HA HIS 77 HA HIS 77 -5.712 12.957 -0.222 574 HB2 HIS 77 1HB HIS 77 -3.030 11.827 -0.873 575 HB3 HIS 77 2HB HIS 77 -4.407 11.298 -1.836 576 HD1 HIS 77 1HD HIS 77 -3.901 14.813 -0.543 577 HD2 HIS 77 2HD HIS 77 -3.855 12.707 -4.124 578 HE1 HIS 77 1HE HIS 77 -3.722 16.556 -2.346 579 HE2 HIS 77 2HE HIS 77 -3.781 15.264 -4.507 580 HA PRO 78 HA PRO 78 -7.648 9.235 1.100 581 HB2 PRO 78 1HB PRO 78 -9.297 8.819 -1.016 582 HB3 PRO 78 2HB PRO 78 -9.575 10.087 0.184 583 HG2 PRO 78 1HG PRO 78 -8.347 10.292 -2.538 584 HG3 PRO 78 2HG PRO 78 -9.517 11.370 -1.754 585 HD2 PRO 78 1HD PRO 78 -6.872 11.937 -1.882 586 HD3 PRO 78 2HD PRO 78 -7.893 12.442 -0.520 587 H LEU 79 H LEU 79 -6.969 7.189 1.075 588 HA LEU 79 HA LEU 79 -5.504 6.212 -1.260 589 HB2 LEU 79 1HB LEU 79 -4.541 6.110 1.061 590 HB3 LEU 79 2HB LEU 79 -5.775 4.911 1.442 591 HG LEU 79 HG LEU 79 -4.816 3.478 -0.379 592 HD11 LEU 79 1HD1 LEU 79 -2.869 5.744 -0.453 593 HD12 LEU 79 2HD1 LEU 79 -3.625 4.871 -1.785 594 HD13 LEU 79 3HD1 LEU 79 -2.344 4.107 -0.844 595 HD21 LEU 79 1HD2 LEU 79 -4.303 3.230 2.056 596 HD22 LEU 79 2HD2 LEU 79 -2.845 4.186 1.787 597 HD23 LEU 79 3HD2 LEU 79 -3.044 2.632 0.976 598 H GLN 80 H GLN 80 -5.899 4.101 -2.118 599 HA GLN 80 HA GLN 80 -8.665 3.176 -1.700 600 HB2 GLN 80 1HB GLN 80 -7.019 3.178 -4.234 601 HB3 GLN 80 2HB GLN 80 -8.585 2.396 -4.071 602 HG2 GLN 80 1HG GLN 80 -8.085 5.338 -3.683 603 HG3 GLN 80 2HG GLN 80 -8.699 4.601 -5.162 604 HE21 GLN 80 1HE2 GLN 80 -9.509 5.984 -2.228 605 HE22 GLN 80 2HE2 GLN 80 -11.176 5.535 -2.178 606 HA PRO 81 HA PRO 81 -6.710 -0.584 -0.375 607 HB2 PRO 81 1HB PRO 81 -8.991 -2.030 -0.103 608 HB3 PRO 81 2HB PRO 81 -8.483 -0.807 1.068 609 HG2 PRO 81 1HG PRO 81 -10.484 -0.591 -1.148 610 HG3 PRO 81 2HG PRO 81 -10.589 0.010 0.517 611 HD2 PRO 81 1HD PRO 81 -9.957 1.611 -1.573 612 HD3 PRO 81 2HD PRO 81 -9.309 1.871 0.059 613 HA PRO 82 HA PRO 82 -6.381 -3.143 -3.938 614 HB2 PRO 82 1HB PRO 82 -6.001 -5.587 -2.817 615 HB3 PRO 82 2HB PRO 82 -4.766 -4.322 -2.804 616 HG2 PRO 82 1HG PRO 82 -6.680 -5.122 -0.647 617 HG3 PRO 82 2HG PRO 82 -4.957 -4.726 -0.522 618 HD2 PRO 82 1HD PRO 82 -6.908 -2.962 0.122 619 HD3 PRO 82 2HD PRO 82 -5.348 -2.454 -0.557 620 H LEU 83 H LEU 83 -7.163 -5.501 -4.661 621 HA LEU 83 HA LEU 83 -10.039 -5.338 -4.710 622 HB2 LEU 83 1HB LEU 83 -8.172 -7.359 -5.942 623 HB3 LEU 83 2HB LEU 83 -9.897 -7.218 -6.274 624 HG LEU 83 HG LEU 83 -9.174 -4.760 -6.974 625 HD11 LEU 83 1HD1 LEU 83 -6.971 -5.108 -8.280 626 HD12 LEU 83 2HD1 LEU 83 -6.673 -6.395 -7.113 627 HD13 LEU 83 3HD1 LEU 83 -6.896 -4.737 -6.558 628 HD21 LEU 83 1HD2 LEU 83 -9.546 -5.428 -9.117 629 HD22 LEU 83 2HD2 LEU 83 -10.120 -6.868 -8.276 630 HD23 LEU 83 3HD2 LEU 83 -8.502 -6.843 -8.978 631 H SER 84 H SER 84 -11.177 -7.629 -4.647 632 HA SER 84 HA SER 84 -11.117 -8.458 -1.945 633 HB2 SER 84 1HB SER 84 -12.542 -9.392 -4.410 634 HB3 SER 84 2HB SER 84 -12.587 -10.391 -2.957 635 HG SER 84 HG SER 84 -13.785 -8.932 -1.969 636 HA PRO 85 HA PRO 85 -8.133 -11.672 -1.856 637 HB2 PRO 85 1HB PRO 85 -9.283 -13.440 -0.147 638 HB3 PRO 85 2HB PRO 85 -8.605 -11.896 0.382 639 HG2 PRO 85 1HG PRO 85 -11.457 -12.626 -0.159 640 HG3 PRO 85 2HG PRO 85 -10.779 -11.677 1.177 641 HD2 PRO 85 1HD PRO 85 -11.968 -10.530 -0.969 642 HD3 PRO 85 2HD PRO 85 -10.627 -9.761 -0.096 643 H LEU 86 H LEU 86 -11.056 -12.053 -3.374 644 HA LEU 86 HA LEU 86 -10.788 -14.892 -3.937 645 HB2 LEU 86 1HB LEU 86 -12.906 -14.817 -4.798 646 HB3 LEU 86 2HB LEU 86 -12.976 -13.505 -3.622 647 HG LEU 86 HG LEU 86 -12.293 -12.077 -5.762 648 HD11 LEU 86 1HD1 LEU 86 -13.352 -14.640 -6.813 649 HD12 LEU 86 2HD1 LEU 86 -12.174 -13.527 -7.508 650 HD13 LEU 86 3HD1 LEU 86 -13.894 -13.149 -7.583 651 HD21 LEU 86 1HD2 LEU 86 -15.020 -13.026 -4.924 652 HD22 LEU 86 2HD2 LEU 86 -14.783 -11.777 -6.146 653 HD23 LEU 86 3HD2 LEU 86 -14.203 -11.521 -4.500 654 H GLU 87 H GLU 87 -9.704 -11.944 -5.217 655 HA GLU 87 HA GLU 87 -9.466 -12.915 -7.944 656 HB2 GLU 87 1HB GLU 87 -8.540 -10.339 -6.661 657 HB3 GLU 87 2HB GLU 87 -8.407 -10.712 -8.374 658 HG2 GLU 87 1HG GLU 87 -11.011 -11.118 -8.101 659 HG3 GLU 87 2HG GLU 87 -10.785 -9.991 -6.764 660 H LEU 88 H LEU 88 -7.439 -12.337 -5.134 661 HA LEU 88 HA LEU 88 -5.042 -13.116 -6.599 662 HB2 LEU 88 1HB LEU 88 -3.838 -12.532 -4.577 663 HB3 LEU 88 2HB LEU 88 -4.909 -11.222 -5.070 664 HG LEU 88 HG LEU 88 -6.525 -12.363 -3.311 665 HD11 LEU 88 1HD1 LEU 88 -3.854 -13.493 -2.740 666 HD12 LEU 88 2HD1 LEU 88 -5.459 -14.149 -2.422 667 HD13 LEU 88 3HD1 LEU 88 -4.786 -12.912 -1.361 668 HD21 LEU 88 1HD2 LEU 88 -4.615 -10.214 -3.268 669 HD22 LEU 88 2HD2 LEU 88 -4.787 -10.919 -1.660 670 HD23 LEU 88 3HD2 LEU 88 -6.207 -10.314 -2.515 671 H MET 89 H MET 89 -7.251 -15.008 -6.028 672 HA MET 89 HA MET 89 -6.175 -16.830 -4.055 673 HB2 MET 89 1HB MET 89 -8.659 -16.441 -4.553 674 HB3 MET 89 2HB MET 89 -8.405 -17.423 -5.990 675 HG2 MET 89 1HG MET 89 -7.869 -19.331 -4.709 676 HG3 MET 89 2HG MET 89 -7.728 -18.385 -3.229 677 HE1 MET 89 1HE MET 89 -9.250 -17.587 -1.893 678 HE2 MET 89 2HE MET 89 -10.747 -16.921 -2.547 679 HE3 MET 89 3HE MET 89 -10.785 -18.399 -1.584 680 H GLU 90 H GLU 90 -5.832 -19.146 -4.636 681 HA GLU 90 HA GLU 90 -4.372 -20.590 -5.664 682 HB2 GLU 90 1HB GLU 90 -6.655 -20.684 -6.896 683 HB3 GLU 90 2HB GLU 90 -5.806 -19.870 -8.202 684 HG2 GLU 90 1HG GLU 90 -4.385 -21.681 -8.570 685 HG3 GLU 90 2HG GLU 90 -4.751 -22.402 -7.004 686 H ALA 91 H ALA 91 -3.236 -18.038 -5.437 687 HA ALA 91 HA ALA 91 -1.877 -17.607 -8.001 688 HB1 ALA 91 1HB ALA 91 -2.616 -15.891 -5.762 689 HB2 ALA 91 2HB ALA 91 -0.959 -15.649 -6.316 690 HB3 ALA 91 3HB ALA 91 -2.301 -15.484 -7.449 691 H SER 92 H SER 92 -1.037 -17.745 -4.533 692 HA SER 92 HA SER 92 1.692 -18.498 -5.243 693 HB2 SER 92 1HB SER 92 0.420 -17.777 -2.594 694 HB3 SER 92 2HB SER 92 2.111 -18.242 -2.782 695 HG SER 92 HG SER 92 2.542 -16.333 -3.557 696 H GLU 93 H GLU 93 2.225 -20.562 -5.412 697 HA GLU 93 HA GLU 93 0.502 -22.642 -4.424 698 HB2 GLU 93 1HB GLU 93 1.959 -22.601 -6.590 699 HB3 GLU 93 2HB GLU 93 3.249 -23.134 -5.521 700 HG2 GLU 93 1HG GLU 93 2.466 -25.142 -6.253 701 HG3 GLU 93 2HG GLU 93 1.485 -24.934 -4.803 702 H HIS 94 H HIS 94 0.501 -23.003 -2.293 703 HA HIS 94 HA HIS 94 3.093 -23.493 -0.992 704 HB2 HIS 94 1HB HIS 94 2.529 -22.273 0.918 705 HB3 HIS 94 2HB HIS 94 1.928 -21.257 -0.389 706 HD1 HIS 94 1HD HIS 94 0.928 -22.464 2.776 707 HD2 HIS 94 2HD HIS 94 -1.006 -21.963 -0.867 708 HE1 HIS 94 1HE HIS 94 -1.527 -22.416 3.319 709 HE2 HIS 94 2HE HIS 94 -2.680 -22.197 1.091 710 H GLY 95 H GLY 95 3.054 -25.013 0.743 711 HA2 GLY 95 1HA GLY 95 1.254 -27.184 0.283 712 HA3 GLY 95 2HA GLY 95 2.494 -27.107 1.526 713 H GLY 96 H GLY 96 -0.574 -27.741 1.293 714 HA2 GLY 96 1HA GLY 96 -1.390 -26.087 3.599 715 HA3 GLY 96 2HA GLY 96 -2.504 -26.798 2.440 716 H CYS 97 H CYS 97 -1.298 -27.084 5.491 717 HA CYS 97 HA CYS 97 -1.234 -29.960 5.667 718 HB2 CYS 97 1HB CYS 97 -0.913 -29.590 8.073 719 HB3 CYS 97 2HB CYS 97 0.195 -28.606 7.124 720 HG CYS 97 HG CYS 97 -1.972 -27.667 9.400 721 H SER 98 H SER 98 -2.689 -31.244 6.905 722 HA SER 98 HA SER 98 -5.398 -30.095 7.070 723 HB2 SER 98 1HB SER 98 -6.187 -32.469 6.733 724 HB3 SER 98 2HB SER 98 -5.362 -31.761 5.344 725 HG SER 98 HG SER 98 -4.781 -34.012 6.382 726 H THR 99 H THR 99 -6.083 -29.826 9.077 727 HA THR 99 HA THR 99 -5.015 -31.569 11.192 728 HB THR 99 HB THR 99 -5.656 -29.831 12.785 729 HG1 THR 99 1HG THR 99 -6.545 -28.425 10.467 730 HG21 THR 99 1HG2 THR 99 -3.578 -29.692 10.965 731 HG22 THR 99 2HG2 THR 99 -3.729 -28.744 12.445 732 HG23 THR 99 3HG2 THR 99 -4.286 -28.078 10.910 733 HA PRO 100 HA PRO 100 -9.351 -33.031 10.744 734 HB2 PRO 100 1HB PRO 100 -8.773 -35.599 11.407 735 HB3 PRO 100 2HB PRO 100 -8.596 -34.968 9.766 736 HG2 PRO 100 1HG PRO 100 -6.510 -35.375 11.874 737 HG3 PRO 100 2HG PRO 100 -6.434 -35.737 10.139 738 HD2 PRO 100 1HD PRO 100 -5.309 -33.521 11.216 739 HD3 PRO 100 2HD PRO 100 -5.984 -33.548 9.574 740 H GLY 101 H GLY 101 -10.710 -34.230 12.360 741 HA2 GLY 101 1HA GLY 101 -9.690 -34.040 15.107 742 HA3 GLY 101 2HA GLY 101 -11.142 -33.143 14.686 743 H SER 102 H SER 102 -10.984 -35.146 16.687 744 HA SER 102 HA SER 102 -13.004 -36.982 15.645 745 HB2 SER 102 1HB SER 102 -10.500 -37.865 17.097 746 HB3 SER 102 2HB SER 102 -11.902 -38.900 16.824 747 HG SER 102 HG SER 102 -11.539 -38.261 14.505 748 H GLY 103 H GLY 103 -13.671 -38.461 17.696 749 HA2 GLY 103 1HA GLY 103 -13.605 -37.123 20.226 750 HA3 GLY 103 2HA GLY 103 -15.135 -36.876 19.397 751 HA PRO 104 HA PRO 104 -14.689 -41.177 21.534 752 HB2 PRO 104 1HB PRO 104 -15.493 -40.616 24.065 753 HB3 PRO 104 2HB PRO 104 -13.796 -40.598 23.570 754 HG2 PRO 104 1HG PRO 104 -15.696 -38.309 23.900 755 HG3 PRO 104 2HG PRO 104 -13.999 -38.435 24.398 756 HD2 PRO 104 1HD PRO 104 -14.767 -37.127 22.154 757 HD3 PRO 104 2HD PRO 104 -13.213 -37.977 22.280 758 H SER 105 H SER 105 -16.602 -42.089 23.093 759 HA SER 105 HA SER 105 -19.141 -40.992 22.092 760 HB2 SER 105 1HB SER 105 -18.311 -43.902 22.123 761 HB3 SER 105 2HB SER 105 -19.954 -43.343 21.810 762 HG SER 105 HG SER 105 -18.764 -41.987 20.123 763 H SER 106 H SER 106 -21.037 -41.734 23.338 764 HA SER 106 HA SER 106 -20.519 -42.746 26.009 765 HB2 SER 106 1HB SER 106 -21.654 -40.817 27.099 766 HB3 SER 106 2HB SER 106 -20.130 -40.368 26.334 767 HG SER 106 HG SER 106 -21.906 -38.918 25.896 768 H GLY 107 H GLY 107 -22.674 -42.802 27.278 769 HA2 GLY 107 1HA GLY 107 -25.118 -42.836 27.028 770 HA3 GLY 107 2HA GLY 107 -24.862 -43.435 25.396 Start of MODEL 11 1 H1 GLY 1 H GLY 1 16.832 -18.371 -3.803 2 HA2 GLY 1 1HA GLY 1 18.592 -18.500 -2.101 3 HA3 GLY 1 2HA GLY 1 18.547 -16.879 -2.778 4 H SER 2 H SER 2 19.672 -16.950 -0.430 5 HA SER 2 HA SER 2 17.833 -15.511 1.259 6 HB2 SER 2 1HB SER 2 17.452 -17.900 1.899 7 HB3 SER 2 2HB SER 2 19.150 -18.003 2.363 8 HG SER 2 HG SER 2 17.859 -17.529 4.163 9 H SER 3 H SER 3 18.860 -14.150 2.700 10 HA SER 3 HA SER 3 21.770 -14.318 2.934 11 HB2 SER 3 1HB SER 3 21.927 -11.846 2.443 12 HB3 SER 3 2HB SER 3 21.529 -12.852 1.051 13 HG SER 3 HG SER 3 19.411 -11.828 2.544 14 H GLY 4 H GLY 4 22.580 -12.579 4.500 15 HA2 GLY 4 1HA GLY 4 20.687 -12.482 6.758 16 HA3 GLY 4 2HA GLY 4 22.438 -12.496 6.908 17 H SER 5 H SER 5 21.741 -10.643 8.374 18 HA SER 5 HA SER 5 21.059 -8.179 7.025 19 HB2 SER 5 1HB SER 5 21.435 -9.033 9.858 20 HB3 SER 5 2HB SER 5 21.619 -7.320 9.482 21 HG SER 5 HG SER 5 19.498 -7.513 9.854 22 H SER 6 H SER 6 23.408 -9.233 6.004 23 HA SER 6 HA SER 6 25.193 -7.025 6.385 24 HB2 SER 6 1HB SER 6 27.150 -8.367 7.085 25 HB3 SER 6 2HB SER 6 25.876 -8.379 8.304 26 HG SER 6 HG SER 6 25.485 -10.446 7.905 27 H GLY 7 H GLY 7 27.191 -7.288 4.993 28 HA2 GLY 7 1HA GLY 7 28.253 -8.030 3.057 29 HA3 GLY 7 2HA GLY 7 27.004 -9.252 2.871 30 H VAL 8 H VAL 8 24.716 -8.027 2.583 31 HA VAL 8 HA VAL 8 25.015 -6.618 0.071 32 HB VAL 8 HB VAL 8 23.301 -8.382 0.339 33 HG11 VAL 8 1HG1 VAL 8 22.807 -7.431 2.764 34 HG12 VAL 8 2HG1 VAL 8 21.559 -6.542 1.888 35 HG13 VAL 8 3HG1 VAL 8 21.587 -8.306 1.839 36 HG21 VAL 8 1HG2 VAL 8 21.381 -6.426 -0.224 37 HG22 VAL 8 2HG2 VAL 8 22.923 -5.737 -0.731 38 HG23 VAL 8 3HG2 VAL 8 22.397 -7.292 -1.377 39 H LYS 9 H LYS 9 24.376 -4.534 -0.368 40 HA LYS 9 HA LYS 9 23.682 -2.868 1.962 41 HB2 LYS 9 1HB LYS 9 25.534 -2.259 -0.342 42 HB3 LYS 9 2HB LYS 9 24.916 -1.019 0.741 43 HG2 LYS 9 1HG LYS 9 26.084 -1.885 2.579 44 HG3 LYS 9 2HG LYS 9 26.400 -3.418 1.762 45 HD2 LYS 9 1HD LYS 9 28.101 -2.544 0.490 46 HD3 LYS 9 2HD LYS 9 27.447 -0.906 0.548 47 HE2 LYS 9 1HE LYS 9 28.487 -2.231 3.025 48 HE3 LYS 9 2HE LYS 9 29.590 -1.456 1.889 49 HZ1 LYS 9 1HZ LYS 9 27.372 0.221 2.492 50 HZ2 LYS 9 2HZ LYS 9 29.026 0.534 2.653 51 HZ3 LYS 9 3HZ LYS 9 28.185 -0.233 3.904 52 HA PRO 10 HA PRO 10 20.141 -1.561 -0.297 53 HB2 PRO 10 1HB PRO 10 19.721 0.851 0.877 54 HB3 PRO 10 2HB PRO 10 19.380 -0.683 1.685 55 HG2 PRO 10 1HG PRO 10 21.760 1.112 1.956 56 HG3 PRO 10 2HG PRO 10 20.847 0.265 3.219 57 HD2 PRO 10 1HD PRO 10 23.209 -0.653 2.265 58 HD3 PRO 10 2HD PRO 10 21.921 -1.737 2.829 59 HA PRO 11 HA PRO 11 22.294 0.858 -3.455 60 HB2 PRO 11 1HB PRO 11 20.550 0.230 -5.437 61 HB3 PRO 11 2HB PRO 11 21.847 -0.854 -4.920 62 HG2 PRO 11 1HG PRO 11 18.943 -0.893 -4.193 63 HG3 PRO 11 2HG PRO 11 20.009 -2.246 -4.613 64 HD2 PRO 11 1HD PRO 11 19.363 -1.641 -2.054 65 HD3 PRO 11 2HD PRO 11 20.933 -2.338 -2.503 66 H HIS 12 H HIS 12 18.778 0.814 -2.934 67 HA HIS 12 HA HIS 12 18.758 3.721 -3.404 68 HB2 HIS 12 1HB HIS 12 16.278 3.201 -4.133 69 HB3 HIS 12 2HB HIS 12 17.604 3.042 -5.281 70 HD1 HIS 12 1HD HIS 12 15.744 0.783 -2.841 71 HD2 HIS 12 2HD HIS 12 17.573 0.671 -6.570 72 HE1 HIS 12 1HE HIS 12 15.350 -1.543 -3.714 73 HE2 HIS 12 2HE HIS 12 16.539 -1.613 -5.933 74 H GLY 13 H GLY 13 17.636 0.999 -1.555 75 HA2 GLY 13 1HA GLY 13 17.302 1.610 0.856 76 HA3 GLY 13 2HA GLY 13 16.220 2.857 0.255 77 H PHE 14 H PHE 14 14.719 1.594 -1.597 78 HA PHE 14 HA PHE 14 12.723 0.363 -0.184 79 HB2 PHE 14 1HB PHE 14 13.499 0.121 -3.086 80 HB3 PHE 14 2HB PHE 14 12.062 -0.664 -2.439 81 HD1 PHE 14 1HD PHE 14 13.702 2.643 -2.809 82 HD2 PHE 14 2HD PHE 14 10.064 0.510 -2.232 83 HE1 PHE 14 1HE PHE 14 12.434 4.730 -3.111 84 HE2 PHE 14 2HE PHE 14 8.791 2.593 -2.534 85 HZ PHE 14 HZ PHE 14 9.975 4.707 -2.976 86 H GLN 15 H GLN 15 12.092 -1.744 0.244 87 HA GLN 15 HA GLN 15 14.207 -3.773 -0.064 88 HB2 GLN 15 1HB GLN 15 12.266 -3.280 2.184 89 HB3 GLN 15 2HB GLN 15 13.083 -4.825 1.988 90 HG2 GLN 15 1HG GLN 15 15.251 -3.481 1.994 91 HG3 GLN 15 2HG GLN 15 14.274 -2.145 2.602 92 HE21 GLN 15 1HE2 GLN 15 16.120 -2.706 4.261 93 HE22 GLN 15 2HE2 GLN 15 15.602 -3.691 5.583 94 H LYS 16 H LYS 16 13.111 -6.069 0.356 95 HA LYS 16 HA LYS 16 10.931 -6.246 -1.607 96 HB2 LYS 16 1HB LYS 16 13.141 -8.111 -0.808 97 HB3 LYS 16 2HB LYS 16 11.685 -8.745 -1.566 98 HG2 LYS 16 1HG LYS 16 12.154 -7.799 -3.586 99 HG3 LYS 16 2HG LYS 16 13.064 -6.464 -2.875 100 HD2 LYS 16 1HD LYS 16 14.057 -9.302 -2.815 101 HD3 LYS 16 2HD LYS 16 14.395 -8.213 -4.162 102 HE2 LYS 16 1HE LYS 16 15.708 -6.811 -2.865 103 HE3 LYS 16 2HE LYS 16 14.976 -7.355 -1.357 104 HZ1 LYS 16 1HZ LYS 16 16.230 -9.280 -1.345 105 HZ2 LYS 16 2HZ LYS 16 17.332 -8.144 -1.941 106 HZ3 LYS 16 3HZ LYS 16 16.565 -9.215 -3.002 107 H LYS 17 H LYS 17 9.184 -7.694 -1.242 108 HA LYS 17 HA LYS 17 7.548 -8.706 -0.026 109 HB2 LYS 17 1HB LYS 17 9.652 -9.095 2.108 110 HB3 LYS 17 2HB LYS 17 8.139 -9.978 1.944 111 HG2 LYS 17 1HG LYS 17 9.031 -10.737 -0.324 112 HG3 LYS 17 2HG LYS 17 10.597 -10.145 0.236 113 HD2 LYS 17 1HD LYS 17 10.606 -11.669 2.067 114 HD3 LYS 17 2HD LYS 17 8.923 -12.117 1.782 115 HE2 LYS 17 1HE LYS 17 9.653 -12.984 -0.467 116 HE3 LYS 17 2HE LYS 17 11.316 -12.741 0.064 117 HZ1 LYS 17 1HZ LYS 17 9.935 -15.004 0.420 118 HZ2 LYS 17 2HZ LYS 17 9.655 -14.236 1.901 119 HZ3 LYS 17 3HZ LYS 17 11.240 -14.531 1.388 120 H MET 18 H MET 18 8.271 -5.821 0.257 121 HA MET 18 HA MET 18 7.044 -5.316 2.887 122 HB2 MET 18 1HB MET 18 8.175 -3.250 3.005 123 HB3 MET 18 2HB MET 18 9.375 -4.397 2.425 124 HG2 MET 18 1HG MET 18 9.326 -3.540 0.260 125 HG3 MET 18 2HG MET 18 7.787 -2.723 0.521 126 HE1 MET 18 1HE MET 18 9.672 0.439 0.002 127 HE2 MET 18 2HE MET 18 10.493 -0.939 -0.732 128 HE3 MET 18 3HE MET 18 8.730 -0.870 -0.714 129 H LYS 19 H LYS 19 6.103 -2.844 2.686 130 HA LYS 19 HA LYS 19 4.202 -2.954 0.435 131 HB2 LYS 19 1HB LYS 19 3.797 -2.093 3.297 132 HB3 LYS 19 2HB LYS 19 2.664 -1.676 2.018 133 HG2 LYS 19 1HG LYS 19 3.429 -4.473 2.830 134 HG3 LYS 19 2HG LYS 19 1.941 -3.638 3.282 135 HD2 LYS 19 1HD LYS 19 1.756 -3.341 0.652 136 HD3 LYS 19 2HD LYS 19 2.763 -4.791 0.668 137 HE2 LYS 19 1HE LYS 19 0.158 -4.507 2.160 138 HE3 LYS 19 2HE LYS 19 0.315 -5.248 0.568 139 HZ1 LYS 19 1HZ LYS 19 1.554 -6.188 3.096 140 HZ2 LYS 19 2HZ LYS 19 1.885 -6.848 1.574 141 HZ3 LYS 19 3HZ LYS 19 0.325 -6.954 2.220 142 H LEU 20 H LEU 20 3.695 -1.059 -0.633 143 HA LEU 20 HA LEU 20 4.738 1.477 0.249 144 HB2 LEU 20 1HB LEU 20 6.418 1.805 -1.241 145 HB3 LEU 20 2HB LEU 20 6.566 0.062 -1.026 146 HG LEU 20 HG LEU 20 4.965 0.009 -3.122 147 HD11 LEU 20 1HD1 LEU 20 4.489 2.110 -3.773 148 HD12 LEU 20 2HD1 LEU 20 6.062 2.006 -4.561 149 HD13 LEU 20 3HD1 LEU 20 5.914 2.792 -2.990 150 HD21 LEU 20 1HD2 LEU 20 6.784 -0.920 -3.986 151 HD22 LEU 20 2HD2 LEU 20 7.741 -0.226 -2.677 152 HD23 LEU 20 3HD2 LEU 20 7.533 0.665 -4.186 153 H GLU 21 H GLU 21 3.860 3.239 -0.873 154 HA GLU 21 HA GLU 21 1.443 2.589 -2.363 155 HB2 GLU 21 1HB GLU 21 2.446 4.951 -0.863 156 HB3 GLU 21 2HB GLU 21 1.340 5.258 -2.194 157 HG2 GLU 21 1HG GLU 21 0.859 3.709 0.321 158 HG3 GLU 21 2HG GLU 21 -0.021 5.100 -0.309 159 H VAL 22 H VAL 22 1.041 3.169 -4.454 160 HA VAL 22 HA VAL 22 3.161 4.583 -5.918 161 HB VAL 22 HB VAL 22 1.807 2.064 -6.891 162 HG11 VAL 22 1HG1 VAL 22 4.175 3.161 -8.266 163 HG12 VAL 22 2HG1 VAL 22 2.734 2.384 -8.926 164 HG13 VAL 22 3HG1 VAL 22 2.680 4.080 -8.444 165 HG21 VAL 22 1HG2 VAL 22 4.236 1.236 -6.835 166 HG22 VAL 22 2HG2 VAL 22 4.530 2.591 -5.746 167 HG23 VAL 22 3HG2 VAL 22 3.365 1.343 -5.305 168 H VAL 23 H VAL 23 2.468 5.965 -7.479 169 HA VAL 23 HA VAL 23 -0.345 6.607 -7.512 170 HB VAL 23 HB VAL 23 1.969 7.849 -9.007 171 HG11 VAL 23 1HG1 VAL 23 -0.411 8.072 -9.974 172 HG12 VAL 23 2HG1 VAL 23 -0.708 9.129 -8.592 173 HG13 VAL 23 3HG1 VAL 23 0.552 9.533 -9.759 174 HG21 VAL 23 1HG2 VAL 23 1.333 7.966 -6.307 175 HG22 VAL 23 2HG2 VAL 23 2.388 9.070 -7.190 176 HG23 VAL 23 3HG2 VAL 23 0.682 9.463 -6.977 177 H ASP 24 H ASP 24 -1.758 5.715 -8.848 178 HA ASP 24 HA ASP 24 -1.202 3.895 -10.848 179 HB2 ASP 24 1HB ASP 24 -3.465 4.650 -9.691 180 HB3 ASP 24 2HB ASP 24 -3.615 5.626 -11.150 181 H LYS 25 H LYS 25 -0.131 4.140 -12.684 182 HA LYS 25 HA LYS 25 0.735 6.465 -13.837 183 HB2 LYS 25 1HB LYS 25 -0.014 4.241 -15.675 184 HB3 LYS 25 2HB LYS 25 1.464 5.192 -15.611 185 HG2 LYS 25 1HG LYS 25 0.660 2.924 -13.810 186 HG3 LYS 25 2HG LYS 25 2.006 2.980 -14.951 187 HD2 LYS 25 1HD LYS 25 1.723 4.690 -12.479 188 HD3 LYS 25 2HD LYS 25 2.760 3.269 -12.633 189 HE2 LYS 25 1HE LYS 25 4.299 4.870 -13.116 190 HE3 LYS 25 2HE LYS 25 3.646 4.636 -14.736 191 HZ1 LYS 25 1HZ LYS 25 2.452 6.591 -14.630 192 HZ2 LYS 25 2HZ LYS 25 3.873 7.010 -13.816 193 HZ3 LYS 25 3HZ LYS 25 2.471 6.654 -12.940 194 H ARG 26 H ARG 26 -2.071 4.580 -14.986 195 HA ARG 26 HA ARG 26 -2.960 6.517 -16.820 196 HB2 ARG 26 1HB ARG 26 -4.977 4.751 -15.548 197 HB3 ARG 26 2HB ARG 26 -4.692 5.092 -17.249 198 HG2 ARG 26 1HG ARG 26 -2.576 3.695 -17.005 199 HG3 ARG 26 2HG ARG 26 -3.255 3.157 -15.467 200 HD2 ARG 26 1HD ARG 26 -3.726 1.651 -17.411 201 HD3 ARG 26 2HD ARG 26 -5.156 2.215 -16.547 202 HE ARG 26 HE ARG 26 -4.422 3.811 -18.837 203 HH11 ARG 26 2HH1 ARG 26 -6.271 1.104 -17.664 204 HH12 ARG 26 1HH1 ARG 26 -7.402 1.141 -18.976 205 HH21 ARG 26 2HH2 ARG 26 -5.905 3.870 -20.569 206 HH22 ARG 26 1HH2 ARG 26 -7.193 2.714 -20.628 207 H ASN 27 H ASN 27 -3.448 6.141 -13.394 208 HA ASN 27 HA ASN 27 -5.103 8.577 -13.410 209 HB2 ASN 27 1HB ASN 27 -5.522 5.988 -11.999 210 HB3 ASN 27 2HB ASN 27 -5.945 7.463 -11.134 211 HD21 ASN 27 1HD2 ASN 27 -6.987 9.072 -12.966 212 HD22 ASN 27 2HD2 ASN 27 -8.385 8.371 -13.701 213 HA PRO 28 HA PRO 28 -1.367 9.575 -10.984 214 HB2 PRO 28 1HB PRO 28 -1.477 12.232 -11.530 215 HB3 PRO 28 2HB PRO 28 -0.751 11.055 -12.630 216 HG2 PRO 28 1HG PRO 28 -3.473 12.298 -12.715 217 HG3 PRO 28 2HG PRO 28 -2.334 12.006 -14.043 218 HD2 PRO 28 1HD PRO 28 -4.452 10.389 -13.558 219 HD3 PRO 28 2HD PRO 28 -2.922 9.785 -14.226 220 H MET 29 H MET 29 -4.653 10.241 -10.685 221 HA MET 29 HA MET 29 -4.265 11.775 -8.208 222 HB2 MET 29 1HB MET 29 -6.722 11.393 -9.925 223 HB3 MET 29 2HB MET 29 -6.708 12.262 -8.396 224 HG2 MET 29 1HG MET 29 -5.539 14.038 -9.254 225 HG3 MET 29 2HG MET 29 -4.813 13.077 -10.540 226 HE1 MET 29 1HE MET 29 -6.032 14.315 -13.253 227 HE2 MET 29 2HE MET 29 -6.406 15.788 -12.357 228 HE3 MET 29 3HE MET 29 -4.985 14.833 -11.931 229 H PHE 30 H PHE 30 -4.231 8.719 -8.923 230 HA PHE 30 HA PHE 30 -5.730 7.938 -6.525 231 HB2 PHE 30 1HB PHE 30 -5.955 6.742 -9.273 232 HB3 PHE 30 2HB PHE 30 -6.281 5.771 -7.840 233 HD1 PHE 30 1HD PHE 30 -7.759 7.363 -6.063 234 HD2 PHE 30 2HD PHE 30 -7.885 7.380 -10.318 235 HE1 PHE 30 1HE PHE 30 -10.055 8.244 -5.988 236 HE2 PHE 30 2HE PHE 30 -10.181 8.262 -10.249 237 HZ PHE 30 HZ PHE 30 -11.269 8.697 -8.083 238 H ILE 31 H ILE 31 -4.537 6.779 -5.165 239 HA ILE 31 HA ILE 31 -2.171 5.377 -6.226 240 HB ILE 31 HB ILE 31 -2.393 6.685 -3.513 241 HG12 ILE 31 1HG1 ILE 31 -0.527 7.621 -5.655 242 HG13 ILE 31 2HG1 ILE 31 -2.213 8.123 -5.720 243 HG21 ILE 31 1HG2 ILE 31 -0.782 4.613 -4.289 244 HG22 ILE 31 2HG2 ILE 31 0.247 6.017 -4.566 245 HG23 ILE 31 3HG2 ILE 31 -0.443 5.732 -2.968 246 HD11 ILE 31 1HD1 ILE 31 -1.827 8.833 -3.259 247 HD12 ILE 31 2HD1 ILE 31 -0.121 8.780 -3.703 248 HD13 ILE 31 3HD1 ILE 31 -1.224 9.848 -4.569 249 H ARG 32 H ARG 32 -1.778 3.331 -5.515 250 HA ARG 32 HA ARG 32 -3.587 2.223 -3.479 251 HB2 ARG 32 1HB ARG 32 -2.849 0.921 -6.106 252 HB3 ARG 32 2HB ARG 32 -3.766 0.152 -4.817 253 HG2 ARG 32 1HG ARG 32 -5.630 1.502 -5.173 254 HG3 ARG 32 2HG ARG 32 -4.702 2.704 -6.073 255 HD2 ARG 32 1HD ARG 32 -4.368 1.047 -7.872 256 HD3 ARG 32 2HD ARG 32 -5.373 -0.094 -6.980 257 HE ARG 32 HE ARG 32 -7.238 1.055 -7.664 258 HH11 ARG 32 2HH1 ARG 32 -4.397 2.957 -8.319 259 HH12 ARG 32 1HH1 ARG 32 -5.246 4.141 -9.256 260 HH21 ARG 32 2HH2 ARG 32 -8.368 2.608 -8.895 261 HH22 ARG 32 1HH2 ARG 32 -7.505 3.942 -9.582 262 H VAL 33 H VAL 33 -2.779 0.393 -2.337 263 HA VAL 33 HA VAL 33 -0.060 0.560 -1.651 264 HB VAL 33 HB VAL 33 -2.049 -1.650 -1.121 265 HG11 VAL 33 1HG1 VAL 33 -0.269 -1.904 0.864 266 HG12 VAL 33 2HG1 VAL 33 -0.161 -2.809 -0.648 267 HG13 VAL 33 3HG1 VAL 33 0.807 -1.352 -0.419 268 HG21 VAL 33 1HG2 VAL 33 -1.050 0.483 0.754 269 HG22 VAL 33 2HG2 VAL 33 -2.521 0.651 -0.205 270 HG23 VAL 33 3HG2 VAL 33 -2.393 -0.633 0.997 271 H ALA 34 H ALA 34 1.688 -0.788 -2.064 272 HA ALA 34 HA ALA 34 1.352 -2.749 -4.232 273 HB1 ALA 34 1HB ALA 34 3.889 -1.253 -4.224 274 HB2 ALA 34 2HB ALA 34 2.896 -1.803 -5.574 275 HB3 ALA 34 3HB ALA 34 2.459 -0.335 -4.699 276 H THR 35 H THR 35 3.466 -4.072 -4.462 277 HA THR 35 HA THR 35 4.697 -4.561 -1.844 278 HB THR 35 HB THR 35 3.558 -6.758 -3.583 279 HG1 THR 35 1HG THR 35 2.651 -5.542 -1.182 280 HG21 THR 35 1HG2 THR 35 5.684 -6.991 -1.962 281 HG22 THR 35 2HG2 THR 35 4.506 -8.284 -2.192 282 HG23 THR 35 3HG2 THR 35 4.395 -7.229 -0.783 283 H VAL 36 H VAL 36 6.802 -4.276 -2.166 284 HA VAL 36 HA VAL 36 8.094 -4.394 -4.659 285 HB VAL 36 HB VAL 36 9.420 -4.711 -1.966 286 HG11 VAL 36 1HG1 VAL 36 11.134 -5.037 -3.427 287 HG12 VAL 36 2HG1 VAL 36 10.352 -4.126 -4.721 288 HG13 VAL 36 3HG1 VAL 36 11.141 -3.274 -3.393 289 HG21 VAL 36 1HG2 VAL 36 7.943 -2.780 -1.914 290 HG22 VAL 36 2HG2 VAL 36 9.629 -2.264 -1.953 291 HG23 VAL 36 3HG2 VAL 36 8.647 -2.180 -3.415 292 H ALA 37 H ALA 37 8.081 -6.235 -5.811 293 HA ALA 37 HA ALA 37 8.435 -8.812 -4.544 294 HB1 ALA 37 1HB ALA 37 7.270 -7.891 -6.936 295 HB2 ALA 37 2HB ALA 37 8.596 -8.961 -7.394 296 HB3 ALA 37 3HB ALA 37 7.325 -9.543 -6.319 297 H ASP 38 H ASP 38 10.262 -6.690 -6.709 298 HA ASP 38 HA ASP 38 12.721 -8.010 -5.884 299 HB2 ASP 38 1HB ASP 38 11.677 -8.991 -8.113 300 HB3 ASP 38 2HB ASP 38 12.413 -7.555 -8.819 301 H THR 39 H THR 39 14.416 -6.638 -5.749 302 HA THR 39 HA THR 39 13.943 -3.866 -6.621 303 HB THR 39 HB THR 39 15.545 -3.179 -4.894 304 HG1 THR 39 1HG THR 39 15.857 -5.952 -4.665 305 HG21 THR 39 1HG2 THR 39 13.133 -4.779 -4.182 306 HG22 THR 39 2HG2 THR 39 13.437 -3.052 -3.992 307 HG23 THR 39 3HG2 THR 39 14.178 -4.206 -2.883 308 H ASP 40 H ASP 40 14.992 -3.366 -8.425 309 HA ASP 40 HA ASP 40 17.386 -4.790 -9.211 310 HB2 ASP 40 1HB ASP 40 15.430 -3.960 -10.732 311 HB3 ASP 40 2HB ASP 40 16.288 -2.422 -10.689 312 H ASP 41 H ASP 41 19.059 -3.174 -10.368 313 HA ASP 41 HA ASP 41 20.659 -2.080 -8.472 314 HB2 ASP 41 1HB ASP 41 20.287 -1.104 -11.311 315 HB3 ASP 41 2HB ASP 41 21.638 -0.656 -10.274 316 H HIS 42 H HIS 42 18.397 -0.165 -10.461 317 HA HIS 42 HA HIS 42 18.117 1.692 -8.202 318 HB2 HIS 42 1HB HIS 42 18.142 2.747 -11.006 319 HB3 HIS 42 2HB HIS 42 18.472 3.592 -9.497 320 HD1 HIS 42 1HD HIS 42 20.869 3.918 -8.927 321 HD2 HIS 42 2HD HIS 42 20.327 0.924 -11.756 322 HE1 HIS 42 1HE HIS 42 23.183 3.245 -9.646 323 HE2 HIS 42 2HE HIS 42 22.828 1.492 -11.420 324 H ARG 43 H ARG 43 16.415 -0.470 -9.094 325 HA ARG 43 HA ARG 43 13.964 1.064 -9.436 326 HB2 ARG 43 1HB ARG 43 14.550 -1.297 -11.225 327 HB3 ARG 43 2HB ARG 43 13.150 -0.234 -11.282 328 HG2 ARG 43 1HG ARG 43 14.890 1.628 -11.740 329 HG3 ARG 43 2HG ARG 43 15.953 0.286 -12.168 330 HD2 ARG 43 1HD ARG 43 14.018 -0.498 -13.666 331 HD3 ARG 43 2HD ARG 43 13.374 1.129 -13.449 332 HE ARG 43 HE ARG 43 15.909 1.589 -14.246 333 HH11 ARG 43 2HH1 ARG 43 13.344 -0.393 -15.516 334 HH12 ARG 43 1HH1 ARG 43 13.863 -0.239 -17.162 335 HH21 ARG 43 2HH2 ARG 43 16.602 1.800 -16.409 336 HH22 ARG 43 1HH2 ARG 43 15.717 1.008 -17.668 337 H VAL 44 H VAL 44 12.013 -0.439 -9.242 338 HA VAL 44 HA VAL 44 12.487 -2.877 -7.745 339 HB VAL 44 HB VAL 44 11.101 -2.182 -5.828 340 HG11 VAL 44 1HG1 VAL 44 13.621 -2.027 -5.857 341 HG12 VAL 44 2HG1 VAL 44 13.425 -0.296 -6.142 342 HG13 VAL 44 3HG1 VAL 44 12.803 -1.023 -4.660 343 HG21 VAL 44 1HG2 VAL 44 10.639 0.108 -7.486 344 HG22 VAL 44 2HG2 VAL 44 9.840 -0.359 -5.985 345 HG23 VAL 44 3HG2 VAL 44 11.306 0.620 -5.936 346 H LYS 45 H LYS 45 11.115 -4.304 -8.555 347 HA LYS 45 HA LYS 45 8.892 -3.600 -10.157 348 HB2 LYS 45 1HB LYS 45 10.265 -5.745 -10.251 349 HB3 LYS 45 2HB LYS 45 9.335 -6.287 -8.861 350 HG2 LYS 45 1HG LYS 45 7.329 -6.332 -10.086 351 HG3 LYS 45 2HG LYS 45 8.027 -5.398 -11.412 352 HD2 LYS 45 1HD LYS 45 9.689 -7.427 -11.545 353 HD3 LYS 45 2HD LYS 45 8.383 -8.278 -10.717 354 HE2 LYS 45 1HE LYS 45 8.081 -6.741 -13.294 355 HE3 LYS 45 2HE LYS 45 8.284 -8.489 -13.183 356 HZ1 LYS 45 1HZ LYS 45 5.959 -6.845 -12.561 357 HZ2 LYS 45 2HZ LYS 45 6.232 -8.180 -11.559 358 HZ3 LYS 45 3HZ LYS 45 6.040 -8.399 -13.226 359 H VAL 46 H VAL 46 7.228 -2.533 -9.262 360 HA VAL 46 HA VAL 46 6.253 -3.252 -6.620 361 HB VAL 46 HB VAL 46 4.604 -1.387 -7.037 362 HG11 VAL 46 1HG1 VAL 46 7.360 -0.317 -7.427 363 HG12 VAL 46 2HG1 VAL 46 6.094 0.209 -6.316 364 HG13 VAL 46 3HG1 VAL 46 7.001 -1.267 -5.986 365 HG21 VAL 46 1HG2 VAL 46 4.369 -0.530 -9.071 366 HG22 VAL 46 2HG2 VAL 46 6.072 -0.072 -9.098 367 HG23 VAL 46 3HG2 VAL 46 5.578 -1.662 -9.678 368 H HIS 47 H HIS 47 4.896 -4.901 -6.425 369 HA HIS 47 HA HIS 47 3.061 -5.520 -8.628 370 HB2 HIS 47 1HB HIS 47 4.274 -7.451 -8.042 371 HB3 HIS 47 2HB HIS 47 4.122 -7.129 -6.317 372 HD1 HIS 47 1HD HIS 47 2.708 -9.139 -8.944 373 HD2 HIS 47 2HD HIS 47 1.298 -7.441 -5.423 374 HE1 HIS 47 1HE HIS 47 0.592 -10.383 -8.397 375 HE2 HIS 47 2HE HIS 47 -0.288 -9.282 -6.310 376 H PHE 48 H PHE 48 1.074 -4.739 -8.481 377 HA PHE 48 HA PHE 48 0.008 -3.738 -6.020 378 HB2 PHE 48 1HB PHE 48 -1.102 -4.008 -8.808 379 HB3 PHE 48 2HB PHE 48 -2.085 -3.423 -7.470 380 HD1 PHE 48 1HD PHE 48 1.391 -2.791 -8.685 381 HD2 PHE 48 2HD PHE 48 -2.351 -1.153 -7.488 382 HE1 PHE 48 1HE PHE 48 2.276 -0.522 -9.034 383 HE2 PHE 48 2HE PHE 48 -1.472 1.118 -7.836 384 HZ PHE 48 HZ PHE 48 0.844 1.436 -8.611 385 H ASP 49 H ASP 49 -0.585 -5.149 -4.497 386 HA ASP 49 HA ASP 49 -1.250 -7.776 -4.685 387 HB2 ASP 49 1HB ASP 49 -1.010 -6.384 -2.578 388 HB3 ASP 49 2HB ASP 49 -2.688 -5.899 -2.807 389 H GLY 50 H GLY 50 -2.850 -8.952 -5.524 390 HA2 GLY 50 1HA GLY 50 -5.061 -9.495 -6.081 391 HA3 GLY 50 2HA GLY 50 -5.521 -7.823 -5.794 392 H TRP 51 H TRP 51 -4.201 -6.303 -7.426 393 HA TRP 51 HA TRP 51 -5.358 -6.541 -9.895 394 HB2 TRP 51 1HB TRP 51 -2.756 -5.208 -9.134 395 HB3 TRP 51 2HB TRP 51 -3.514 -5.020 -10.713 396 HD1 TRP 51 HD TRP 51 -4.246 -4.276 -6.989 397 HE1 TRP 51 1HE TRP 51 -5.835 -2.253 -6.877 398 HE3 TRP 51 3HE TRP 51 -5.103 -3.640 -11.988 399 HZ2 TRP 51 2HZ TRP 51 -7.263 -0.607 -8.671 400 HZ3 TRP 51 3HZ TRP 51 -6.594 -1.819 -12.707 401 HH2 TRP 51 HH TRP 51 -7.651 -0.335 -11.082 402 H ASN 52 H ASN 52 -4.984 -7.627 -11.740 403 HA ASN 52 HA ASN 52 -3.657 -9.971 -11.915 404 HB2 ASN 52 1HB ASN 52 -4.313 -7.913 -13.990 405 HB3 ASN 52 2HB ASN 52 -3.372 -9.329 -14.450 406 HD21 ASN 52 1HD2 ASN 52 -5.099 -9.947 -15.812 407 HD22 ASN 52 2HD2 ASN 52 -6.511 -10.703 -15.165 408 H ASN 53 H ASN 53 -1.617 -10.677 -12.007 409 HA ASN 53 HA ASN 53 0.581 -9.250 -11.322 410 HB2 ASN 53 1HB ASN 53 0.799 -11.455 -13.363 411 HB3 ASN 53 2HB ASN 53 1.916 -11.054 -12.062 412 HD21 ASN 53 1HD2 ASN 53 -0.909 -12.768 -12.970 413 HD22 ASN 53 2HD2 ASN 53 -1.192 -13.549 -11.455 414 H CYS 54 H CYS 54 -0.595 -9.769 -14.626 415 HA CYS 54 HA CYS 54 1.386 -8.699 -16.143 416 HB2 CYS 54 1HB CYS 54 -1.587 -8.654 -16.376 417 HB3 CYS 54 2HB CYS 54 -0.657 -7.657 -17.487 418 HG CYS 54 HG CYS 54 -0.021 -9.536 -19.115 419 H TYR 55 H TYR 55 -1.024 -6.900 -14.283 420 HA TYR 55 HA TYR 55 -0.542 -4.332 -15.142 421 HB2 TYR 55 1HB TYR 55 -1.324 -5.451 -12.469 422 HB3 TYR 55 2HB TYR 55 -1.068 -3.721 -12.666 423 HD1 TYR 55 1HD TYR 55 -2.343 -2.672 -14.752 424 HD2 TYR 55 2HD TYR 55 -3.459 -6.270 -12.774 425 HE1 TYR 55 1HE TYR 55 -4.634 -2.427 -15.612 426 HE2 TYR 55 2HE TYR 55 -5.753 -6.035 -13.629 427 HH TYR 55 HH TYR 55 -7.234 -4.103 -14.418 428 H ASP 56 H ASP 56 1.136 -6.049 -12.514 429 HA ASP 56 HA ASP 56 2.844 -4.261 -11.512 430 HB2 ASP 56 1HB ASP 56 4.053 -6.825 -12.491 431 HB3 ASP 56 2HB ASP 56 4.301 -5.992 -10.959 432 H TYR 57 H TYR 57 4.921 -3.423 -11.985 433 HA TYR 57 HA TYR 57 6.080 -3.749 -14.591 434 HB2 TYR 57 1HB TYR 57 5.902 -1.234 -15.072 435 HB3 TYR 57 2HB TYR 57 4.468 -2.214 -15.356 436 HD1 TYR 57 2HD TYR 57 6.014 -0.334 -12.510 437 HD2 TYR 57 1HD TYR 57 2.475 -1.296 -14.668 438 HE1 TYR 57 2HE TYR 57 4.718 1.145 -11.033 439 HE2 TYR 57 1HE TYR 57 1.170 0.181 -13.197 440 HH TYR 57 HH TYR 57 1.260 1.213 -11.075 441 H TRP 58 H TRP 58 8.126 -2.699 -14.799 442 HA TRP 58 HA TRP 58 9.503 -2.458 -12.292 443 HB2 TRP 58 1HB TRP 58 10.289 -2.436 -15.174 444 HB3 TRP 58 2HB TRP 58 11.415 -1.777 -13.991 445 HD1 TRP 58 HD TRP 58 10.355 -4.983 -15.518 446 HE1 TRP 58 1HE TRP 58 11.461 -6.964 -14.303 447 HE3 TRP 58 3HE TRP 58 12.133 -2.521 -11.405 448 HZ2 TRP 58 2HZ TRP 58 12.897 -7.422 -11.916 449 HZ3 TRP 58 3HZ TRP 58 13.362 -3.804 -9.703 450 HH2 TRP 58 HH TRP 58 13.734 -6.204 -9.954 451 H ILE 59 H ILE 59 9.172 -0.659 -11.135 452 HA ILE 59 HA ILE 59 9.289 1.932 -12.531 453 HB ILE 59 HB ILE 59 7.180 1.353 -11.245 454 HG12 ILE 59 1HG1 ILE 59 8.605 3.808 -10.218 455 HG13 ILE 59 2HG1 ILE 59 7.997 3.679 -11.865 456 HG21 ILE 59 1HG2 ILE 59 7.359 1.806 -8.766 457 HG22 ILE 59 2HG2 ILE 59 8.029 0.273 -9.322 458 HG23 ILE 59 3HG2 ILE 59 9.103 1.621 -8.950 459 HD11 ILE 59 1HD1 ILE 59 5.915 4.122 -11.231 460 HD12 ILE 59 2HD1 ILE 59 5.997 2.999 -9.872 461 HD13 ILE 59 3HD1 ILE 59 6.619 4.641 -9.700 462 H ASP 60 H ASP 60 10.641 3.536 -11.794 463 HA ASP 60 HA ASP 60 13.017 2.731 -10.488 464 HB2 ASP 60 1HB ASP 60 11.940 5.476 -11.154 465 HB3 ASP 60 2HB ASP 60 13.552 5.186 -10.506 466 H ALA 61 H ALA 61 13.480 2.581 -8.399 467 HA ALA 61 HA ALA 61 11.598 2.985 -6.370 468 HB1 ALA 61 1HB ALA 61 14.289 2.040 -6.574 469 HB2 ALA 61 2HB ALA 61 14.148 3.121 -5.187 470 HB3 ALA 61 3HB ALA 61 13.087 1.719 -5.323 471 H ASP 62 H ASP 62 13.884 5.153 -7.824 472 HA ASP 62 HA ASP 62 13.549 7.138 -5.714 473 HB2 ASP 62 1HB ASP 62 15.291 8.368 -6.764 474 HB3 ASP 62 2HB ASP 62 15.780 6.677 -6.831 475 H SER 63 H SER 63 11.647 6.171 -8.082 476 HA SER 63 HA SER 63 11.071 8.417 -9.648 477 HB2 SER 63 1HB SER 63 10.227 6.081 -10.042 478 HB3 SER 63 2HB SER 63 9.076 6.335 -8.731 479 HG SER 63 HG SER 63 7.857 7.263 -10.152 480 HA PRO 64 HA PRO 64 9.210 11.201 -6.781 481 HB2 PRO 64 1HB PRO 64 7.893 12.775 -8.558 482 HB3 PRO 64 2HB PRO 64 9.645 12.839 -8.333 483 HG2 PRO 64 1HG PRO 64 8.057 11.438 -10.449 484 HG3 PRO 64 2HG PRO 64 9.546 12.388 -10.612 485 HD2 PRO 64 1HD PRO 64 9.542 9.680 -10.572 486 HD3 PRO 64 2HD PRO 64 10.884 10.643 -9.920 487 H ASP 65 H ASP 65 7.440 9.145 -8.887 488 HA ASP 65 HA ASP 65 4.839 9.929 -7.876 489 HB2 ASP 65 1HB ASP 65 5.236 7.417 -9.437 490 HB3 ASP 65 2HB ASP 65 3.931 8.598 -9.523 491 H ILE 66 H ILE 66 7.214 7.412 -7.360 492 HA ILE 66 HA ILE 66 5.588 5.626 -5.900 493 HB ILE 66 HB ILE 66 8.567 6.063 -5.930 494 HG12 ILE 66 1HG1 ILE 66 6.813 3.827 -6.973 495 HG13 ILE 66 2HG1 ILE 66 7.539 5.098 -7.952 496 HG21 ILE 66 1HG2 ILE 66 7.933 5.246 -3.717 497 HG22 ILE 66 2HG2 ILE 66 7.046 3.915 -4.458 498 HG23 ILE 66 3HG2 ILE 66 8.799 4.010 -4.630 499 HD11 ILE 66 1HD1 ILE 66 9.741 4.132 -6.783 500 HD12 ILE 66 2HD1 ILE 66 8.743 2.677 -6.787 501 HD13 ILE 66 3HD1 ILE 66 9.093 3.511 -8.301 502 H HIS 67 H HIS 67 4.762 5.779 -3.926 503 HA HIS 67 HA HIS 67 6.035 7.606 -1.999 504 HB2 HIS 67 1HB HIS 67 3.070 7.208 -2.447 505 HB3 HIS 67 2HB HIS 67 3.774 8.164 -1.146 506 HD1 HIS 67 1HD HIS 67 5.389 10.206 -2.099 507 HD2 HIS 67 2HD HIS 67 2.486 8.669 -4.644 508 HE1 HIS 67 1HE HIS 67 5.055 11.957 -3.873 509 HE2 HIS 67 2HE HIS 67 3.233 11.042 -5.352 510 HA PRO 68 HA PRO 68 6.124 4.123 0.694 511 HB2 PRO 68 1HB PRO 68 6.358 5.430 3.062 512 HB3 PRO 68 2HB PRO 68 7.687 5.293 1.905 513 HG2 PRO 68 1HG PRO 68 5.809 7.577 2.371 514 HG3 PRO 68 2HG PRO 68 7.562 7.606 2.108 515 HD2 PRO 68 1HD PRO 68 5.784 8.171 0.145 516 HD3 PRO 68 2HD PRO 68 7.349 7.396 -0.178 517 H VAL 69 H VAL 69 4.852 2.993 2.189 518 HA VAL 69 HA VAL 69 2.126 3.223 2.048 519 HB VAL 69 HB VAL 69 3.884 1.984 4.143 520 HG11 VAL 69 1HG1 VAL 69 0.871 2.053 4.115 521 HG12 VAL 69 2HG1 VAL 69 1.830 0.927 5.078 522 HG13 VAL 69 3HG1 VAL 69 1.943 2.663 5.375 523 HG21 VAL 69 1HG2 VAL 69 3.930 0.586 2.342 524 HG22 VAL 69 2HG2 VAL 69 2.481 -0.030 3.136 525 HG23 VAL 69 3HG2 VAL 69 2.335 1.081 1.775 526 H GLY 70 H GLY 70 4.290 5.122 3.923 527 HA2 GLY 70 1HA GLY 70 2.113 6.123 5.621 528 HA3 GLY 70 2HA GLY 70 3.828 6.411 5.874 529 H TRP 71 H TRP 71 2.202 6.783 2.786 530 HA TRP 71 HA TRP 71 2.981 9.599 2.780 531 HB2 TRP 71 1HB TRP 71 3.677 8.355 0.839 532 HB3 TRP 71 2HB TRP 71 2.042 7.751 0.580 533 HD1 TRP 71 HD TRP 71 4.254 10.764 -0.065 534 HE1 TRP 71 1HE TRP 71 3.008 12.411 -1.601 535 HE3 TRP 71 3HE TRP 71 -0.368 8.581 -0.015 536 HZ2 TRP 71 2HZ TRP 71 0.410 12.741 -2.652 537 HZ3 TRP 71 3HZ TRP 71 -2.180 9.626 -1.312 538 HH2 TRP 71 HH TRP 71 -1.797 11.663 -2.602 539 H CYS 72 H CYS 72 0.115 7.610 2.064 540 HA CYS 72 HA CYS 72 -1.756 9.471 1.471 541 HB2 CYS 72 1HB CYS 72 -3.437 8.007 2.510 542 HB3 CYS 72 2HB CYS 72 -2.255 7.081 1.594 543 HG CYS 72 HG CYS 72 -3.250 6.223 4.374 544 H SER 73 H SER 73 -0.585 8.689 4.717 545 HA SER 73 HA SER 73 -2.329 10.585 5.994 546 HB2 SER 73 1HB SER 73 -0.009 8.920 6.971 547 HB3 SER 73 2HB SER 73 -0.849 10.071 8.011 548 HG SER 73 HG SER 73 -1.779 7.678 6.879 549 H LYS 74 H LYS 74 1.215 10.393 5.629 550 HA LYS 74 HA LYS 74 2.070 12.708 6.672 551 HB2 LYS 74 1HB LYS 74 2.873 11.273 4.176 552 HB3 LYS 74 2HB LYS 74 3.602 12.835 4.524 553 HG2 LYS 74 1HG LYS 74 4.469 12.021 6.615 554 HG3 LYS 74 2HG LYS 74 3.626 10.484 6.405 555 HD2 LYS 74 1HD LYS 74 5.832 10.036 5.755 556 HD3 LYS 74 2HD LYS 74 4.964 10.258 4.234 557 HE2 LYS 74 1HE LYS 74 7.044 11.440 4.098 558 HE3 LYS 74 2HE LYS 74 5.740 12.622 4.211 559 HZ1 LYS 74 1HZ LYS 74 6.528 12.071 6.806 560 HZ2 LYS 74 2HZ LYS 74 6.799 13.493 5.932 561 HZ3 LYS 74 3HZ LYS 74 7.959 12.262 5.924 562 H THR 75 H THR 75 0.844 12.477 3.330 563 HA THR 75 HA THR 75 0.720 15.357 3.100 564 HB THR 75 HB THR 75 -0.186 14.927 0.839 565 HG1 THR 75 1HG THR 75 -1.288 12.999 1.143 566 HG21 THR 75 1HG2 THR 75 2.024 14.994 0.450 567 HG22 THR 75 2HG2 THR 75 1.913 13.240 0.303 568 HG23 THR 75 3HG2 THR 75 2.389 13.968 1.837 569 H GLY 76 H GLY 76 -1.587 12.659 3.244 570 HA2 GLY 76 1HA GLY 76 -3.635 12.889 4.489 571 HA3 GLY 76 2HA GLY 76 -3.642 14.598 4.078 572 H HIS 77 H HIS 77 -2.904 12.168 1.694 573 HA HIS 77 HA HIS 77 -5.286 12.961 0.205 574 HB2 HIS 77 1HB HIS 77 -2.671 11.714 -0.490 575 HB3 HIS 77 2HB HIS 77 -4.051 11.347 -1.520 576 HD1 HIS 77 1HD HIS 77 -5.430 14.024 -1.724 577 HD2 HIS 77 2HD HIS 77 -1.301 13.590 -1.877 578 HE1 HIS 77 1HE HIS 77 -4.583 16.067 -2.920 579 HE2 HIS 77 2HE HIS 77 -2.091 15.742 -3.076 580 HA PRO 78 HA PRO 78 -7.530 9.291 1.122 581 HB2 PRO 78 1HB PRO 78 -9.133 9.190 -1.066 582 HB3 PRO 78 2HB PRO 78 -9.358 10.363 0.237 583 HG2 PRO 78 1HG PRO 78 -8.027 10.717 -2.421 584 HG3 PRO 78 2HG PRO 78 -9.142 11.805 -1.575 585 HD2 PRO 78 1HD PRO 78 -6.461 12.182 -1.579 586 HD3 PRO 78 2HD PRO 78 -7.487 12.639 -0.204 587 H LEU 79 H LEU 79 -6.777 7.279 0.991 588 HA LEU 79 HA LEU 79 -5.448 6.382 -1.448 589 HB2 LEU 79 1HB LEU 79 -4.434 6.117 0.846 590 HB3 LEU 79 2HB LEU 79 -5.684 4.919 1.171 591 HG LEU 79 HG LEU 79 -4.802 3.561 -0.710 592 HD11 LEU 79 1HD1 LEU 79 -3.768 5.425 -1.953 593 HD12 LEU 79 2HD1 LEU 79 -2.657 4.084 -1.679 594 HD13 LEU 79 3HD1 LEU 79 -2.533 5.545 -0.700 595 HD21 LEU 79 1HD2 LEU 79 -3.182 2.554 0.573 596 HD22 LEU 79 2HD2 LEU 79 -4.042 3.496 1.791 597 HD23 LEU 79 3HD2 LEU 79 -2.516 4.089 1.134 598 H GLN 80 H GLN 80 -5.961 4.385 -2.456 599 HA GLN 80 HA GLN 80 -8.742 3.524 -2.005 600 HB2 GLN 80 1HB GLN 80 -7.173 3.415 -4.586 601 HB3 GLN 80 2HB GLN 80 -8.859 2.964 -4.371 602 HG2 GLN 80 1HG GLN 80 -7.935 5.730 -3.724 603 HG3 GLN 80 2HG GLN 80 -8.283 5.262 -5.387 604 HE21 GLN 80 1HE2 GLN 80 -9.560 6.852 -2.944 605 HE22 GLN 80 2HE2 GLN 80 -11.237 6.492 -3.144 606 HA PRO 81 HA PRO 81 -7.081 -0.434 -0.960 607 HB2 PRO 81 1HB PRO 81 -9.392 -1.849 -1.127 608 HB3 PRO 81 2HB PRO 81 -9.028 -0.759 0.216 609 HG2 PRO 81 1HG PRO 81 -10.724 -0.283 -2.205 610 HG3 PRO 81 2HG PRO 81 -11.038 0.154 -0.515 611 HD2 PRO 81 1HD PRO 81 -10.127 1.939 -2.337 612 HD3 PRO 81 2HD PRO 81 -9.693 2.023 -0.617 613 HA PRO 82 HA PRO 82 -6.272 -2.448 -4.799 614 HB2 PRO 82 1HB PRO 82 -5.556 -4.897 -3.870 615 HB3 PRO 82 2HB PRO 82 -4.519 -3.473 -3.723 616 HG2 PRO 82 1HG PRO 82 -6.325 -4.718 -1.686 617 HG3 PRO 82 2HG PRO 82 -4.679 -4.089 -1.487 618 HD2 PRO 82 1HD PRO 82 -6.874 -2.685 -0.752 619 HD3 PRO 82 2HD PRO 82 -5.396 -1.903 -1.348 620 H LEU 83 H LEU 83 -6.724 -4.748 -5.802 621 HA LEU 83 HA LEU 83 -9.390 -4.977 -6.373 622 HB2 LEU 83 1HB LEU 83 -7.077 -6.823 -6.555 623 HB3 LEU 83 2HB LEU 83 -8.683 -7.517 -6.762 624 HG LEU 83 HG LEU 83 -7.348 -5.416 -8.458 625 HD11 LEU 83 1HD1 LEU 83 -7.733 -7.068 -10.238 626 HD12 LEU 83 2HD1 LEU 83 -8.386 -8.186 -9.041 627 HD13 LEU 83 3HD1 LEU 83 -6.695 -7.693 -8.956 628 HD21 LEU 83 1HD2 LEU 83 -9.586 -5.791 -9.785 629 HD22 LEU 83 2HD2 LEU 83 -9.483 -4.588 -8.499 630 HD23 LEU 83 3HD2 LEU 83 -10.218 -6.160 -8.180 631 H SER 84 H SER 84 -10.867 -6.840 -5.901 632 HA SER 84 HA SER 84 -11.354 -6.974 -3.105 633 HB2 SER 84 1HB SER 84 -12.625 -8.203 -5.530 634 HB3 SER 84 2HB SER 84 -13.090 -8.753 -3.920 635 HG SER 84 HG SER 84 -13.016 -6.004 -4.366 636 HA PRO 85 HA PRO 85 -9.191 -10.585 -1.867 637 HB2 PRO 85 1HB PRO 85 -10.911 -11.664 -0.065 638 HB3 PRO 85 2HB PRO 85 -9.981 -10.195 0.255 639 HG2 PRO 85 1HG PRO 85 -12.832 -10.481 -0.612 640 HG3 PRO 85 2HG PRO 85 -12.136 -9.395 0.605 641 HD2 PRO 85 1HD PRO 85 -12.760 -8.570 -1.898 642 HD3 PRO 85 2HD PRO 85 -11.404 -7.887 -0.977 643 H LEU 86 H LEU 86 -12.056 -10.772 -3.622 644 HA LEU 86 HA LEU 86 -12.159 -13.684 -3.652 645 HB2 LEU 86 1HB LEU 86 -14.176 -13.474 -4.871 646 HB3 LEU 86 2HB LEU 86 -14.223 -12.272 -3.583 647 HG LEU 86 HG LEU 86 -13.291 -10.721 -5.538 648 HD11 LEU 86 1HD1 LEU 86 -14.457 -11.292 -7.642 649 HD12 LEU 86 2HD1 LEU 86 -14.872 -12.861 -6.954 650 HD13 LEU 86 3HD1 LEU 86 -13.182 -12.436 -7.224 651 HD21 LEU 86 1HD2 LEU 86 -15.335 -9.731 -5.496 652 HD22 LEU 86 2HD2 LEU 86 -15.540 -10.816 -4.120 653 HD23 LEU 86 3HD2 LEU 86 -16.203 -11.254 -5.696 654 H GLU 87 H GLU 87 -10.525 -11.251 -5.255 655 HA GLU 87 HA GLU 87 -10.445 -12.581 -7.839 656 HB2 GLU 87 1HB GLU 87 -9.099 -10.085 -6.797 657 HB3 GLU 87 2HB GLU 87 -8.869 -10.711 -8.423 658 HG2 GLU 87 1HG GLU 87 -11.597 -10.075 -7.364 659 HG3 GLU 87 2HG GLU 87 -10.568 -8.836 -8.081 660 H LEU 88 H LEU 88 -8.171 -11.749 -5.234 661 HA LEU 88 HA LEU 88 -6.087 -13.370 -6.421 662 HB2 LEU 88 1HB LEU 88 -4.691 -12.598 -4.651 663 HB3 LEU 88 2HB LEU 88 -5.621 -11.228 -5.255 664 HG LEU 88 HG LEU 88 -6.640 -12.691 -2.869 665 HD11 LEU 88 1HD1 LEU 88 -5.034 -10.573 -1.940 666 HD12 LEU 88 2HD1 LEU 88 -4.021 -11.559 -2.994 667 HD13 LEU 88 3HD1 LEU 88 -4.851 -12.299 -1.624 668 HD21 LEU 88 1HD2 LEU 88 -7.061 -10.174 -2.311 669 HD22 LEU 88 2HD2 LEU 88 -8.087 -11.008 -3.479 670 HD23 LEU 88 3HD2 LEU 88 -6.791 -9.950 -4.039 671 H MET 89 H MET 89 -8.498 -14.750 -5.689 672 HA MET 89 HA MET 89 -8.196 -16.126 -3.233 673 HB2 MET 89 1HB MET 89 -9.810 -16.571 -5.716 674 HB3 MET 89 2HB MET 89 -9.724 -17.838 -4.500 675 HG2 MET 89 1HG MET 89 -10.466 -16.096 -2.825 676 HG3 MET 89 2HG MET 89 -10.816 -15.060 -4.207 677 HE1 MET 89 1HE MET 89 -14.087 -15.485 -3.232 678 HE2 MET 89 2HE MET 89 -13.698 -16.782 -2.103 679 HE3 MET 89 3HE MET 89 -12.637 -15.379 -2.234 680 H GLU 90 H GLU 90 -7.548 -18.295 -2.861 681 HA GLU 90 HA GLU 90 -5.847 -19.842 -2.926 682 HB2 GLU 90 1HB GLU 90 -6.096 -21.412 -4.749 683 HB3 GLU 90 2HB GLU 90 -7.684 -20.854 -4.241 684 HG2 GLU 90 1HG GLU 90 -6.324 -19.458 -6.488 685 HG3 GLU 90 2HG GLU 90 -7.056 -21.035 -6.776 686 H ALA 91 H ALA 91 -4.966 -17.203 -3.661 687 HA ALA 91 HA ALA 91 -3.377 -17.136 -5.960 688 HB1 ALA 91 1HB ALA 91 -3.626 -15.056 -5.046 689 HB2 ALA 91 2HB ALA 91 -3.408 -15.633 -3.393 690 HB3 ALA 91 3HB ALA 91 -2.013 -15.458 -4.457 691 H SER 92 H SER 92 -1.104 -17.362 -6.228 692 HA SER 92 HA SER 92 -0.001 -19.526 -4.607 693 HB2 SER 92 1HB SER 92 -0.065 -19.473 -7.204 694 HB3 SER 92 2HB SER 92 1.315 -18.385 -7.059 695 HG SER 92 HG SER 92 1.974 -20.562 -7.249 696 H GLU 93 H GLU 93 1.990 -19.421 -3.577 697 HA GLU 93 HA GLU 93 3.708 -17.168 -3.694 698 HB2 GLU 93 1HB GLU 93 3.302 -16.138 -1.586 699 HB3 GLU 93 2HB GLU 93 1.752 -16.234 -2.411 700 HG2 GLU 93 1HG GLU 93 1.176 -18.211 -1.090 701 HG3 GLU 93 2HG GLU 93 2.722 -18.093 -0.252 702 H HIS 94 H HIS 94 5.238 -17.233 -1.651 703 HA HIS 94 HA HIS 94 6.260 -19.929 -1.554 704 HB2 HIS 94 1HB HIS 94 7.865 -18.158 -1.811 705 HB3 HIS 94 2HB HIS 94 7.255 -17.327 -0.383 706 HD1 HIS 94 1HD HIS 94 9.098 -20.500 -1.323 707 HD2 HIS 94 2HD HIS 94 8.481 -18.023 1.955 708 HE1 HIS 94 1HE HIS 94 10.649 -21.351 0.464 709 HE2 HIS 94 2HE HIS 94 10.197 -19.890 2.465 710 H GLY 95 H GLY 95 6.446 -21.246 0.238 711 HA2 GLY 95 1HA GLY 95 6.220 -21.834 2.505 712 HA3 GLY 95 2HA GLY 95 5.378 -20.317 2.791 713 H GLY 96 H GLY 96 3.150 -20.143 2.130 714 HA2 GLY 96 1HA GLY 96 1.039 -20.979 1.618 715 HA3 GLY 96 2HA GLY 96 1.760 -22.557 1.339 716 H CYS 97 H CYS 97 1.142 -20.288 4.017 717 HA CYS 97 HA CYS 97 1.136 -22.349 5.987 718 HB2 CYS 97 1HB CYS 97 0.297 -20.582 7.503 719 HB3 CYS 97 2HB CYS 97 1.715 -20.067 6.597 720 HG CYS 97 HG CYS 97 -0.809 -18.310 7.005 721 H SER 98 H SER 98 -0.591 -23.272 7.082 722 HA SER 98 HA SER 98 -3.183 -23.057 5.700 723 HB2 SER 98 1HB SER 98 -3.617 -25.363 6.510 724 HB3 SER 98 2HB SER 98 -2.198 -25.273 5.467 725 HG SER 98 HG SER 98 -2.214 -25.372 8.304 726 H THR 99 H THR 99 -5.108 -23.313 7.009 727 HA THR 99 HA THR 99 -4.723 -22.257 9.731 728 HB THR 99 HB THR 99 -5.940 -20.737 8.219 729 HG1 THR 99 1HG THR 99 -7.825 -20.545 9.623 730 HG21 THR 99 1HG2 THR 99 -7.068 -22.972 7.158 731 HG22 THR 99 2HG2 THR 99 -7.698 -21.340 6.941 732 HG23 THR 99 3HG2 THR 99 -8.374 -22.387 8.188 733 HA PRO 100 HA PRO 100 -6.439 -25.974 11.363 734 HB2 PRO 100 1HB PRO 100 -7.221 -25.035 13.787 735 HB3 PRO 100 2HB PRO 100 -5.528 -25.330 13.371 736 HG2 PRO 100 1HG PRO 100 -7.054 -22.754 13.386 737 HG3 PRO 100 2HG PRO 100 -5.413 -23.086 13.971 738 HD2 PRO 100 1HD PRO 100 -5.898 -21.917 11.577 739 HD3 PRO 100 2HD PRO 100 -4.502 -22.978 11.857 740 H GLY 101 H GLY 101 -8.446 -26.922 12.013 741 HA2 GLY 101 1HA GLY 101 -10.793 -26.736 12.517 742 HA3 GLY 101 2HA GLY 101 -10.816 -25.212 11.643 743 H SER 102 H SER 102 -12.646 -27.305 11.207 744 HA SER 102 HA SER 102 -12.499 -27.534 8.390 745 HB2 SER 102 1HB SER 102 -10.864 -29.259 8.764 746 HB3 SER 102 2HB SER 102 -11.873 -30.022 9.992 747 HG SER 102 HG SER 102 -12.443 -29.809 7.219 748 H GLY 103 H GLY 103 -14.579 -27.067 8.057 749 HA2 GLY 103 1HA GLY 103 -16.598 -28.552 9.621 750 HA3 GLY 103 2HA GLY 103 -16.844 -26.939 8.969 751 HA PRO 104 HA PRO 104 -18.861 -29.873 6.049 752 HB2 PRO 104 1HB PRO 104 -21.010 -28.278 5.590 753 HB3 PRO 104 2HB PRO 104 -20.919 -29.399 6.954 754 HG2 PRO 104 1HG PRO 104 -20.413 -26.449 6.889 755 HG3 PRO 104 2HG PRO 104 -21.298 -27.406 8.091 756 HD2 PRO 104 1HD PRO 104 -18.750 -26.575 8.479 757 HD3 PRO 104 2HD PRO 104 -19.369 -28.101 9.143 758 H SER 105 H SER 105 -19.514 -29.503 3.783 759 HA SER 105 HA SER 105 -18.201 -27.138 2.615 760 HB2 SER 105 1HB SER 105 -17.503 -28.576 0.714 761 HB3 SER 105 2HB SER 105 -16.784 -29.085 2.242 762 HG SER 105 HG SER 105 -18.780 -30.529 2.279 763 H SER 106 H SER 106 -19.629 -25.900 1.615 764 HA SER 106 HA SER 106 -22.208 -26.926 0.830 765 HB2 SER 106 1HB SER 106 -20.938 -24.197 0.814 766 HB3 SER 106 2HB SER 106 -22.483 -24.486 0.014 767 HG SER 106 HG SER 106 -22.011 -24.086 2.602 768 H GLY 107 H GLY 107 -23.091 -26.825 -1.286 769 HA2 GLY 107 1HA GLY 107 -23.063 -27.070 -3.570 770 HA3 GLY 107 2HA GLY 107 -21.601 -26.095 -3.576 Start of MODEL 12 1 H1 GLY 1 H GLY 1 24.179 -20.799 -1.805 2 HA2 GLY 1 1HA GLY 1 23.143 -21.969 0.474 3 HA3 GLY 1 2HA GLY 1 23.651 -20.290 0.372 4 H SER 2 H SER 2 21.648 -20.892 2.070 5 HA SER 2 HA SER 2 19.057 -20.702 0.899 6 HB2 SER 2 1HB SER 2 20.031 -20.254 3.727 7 HB3 SER 2 2HB SER 2 18.331 -20.209 3.260 8 HG SER 2 HG SER 2 18.596 -22.376 2.504 9 H SER 3 H SER 3 17.542 -18.881 1.522 10 HA SER 3 HA SER 3 18.746 -16.390 0.652 11 HB2 SER 3 1HB SER 3 15.957 -17.428 0.924 12 HB3 SER 3 2HB SER 3 16.206 -15.683 0.907 13 HG SER 3 HG SER 3 15.982 -17.128 -1.173 14 H GLY 4 H GLY 4 19.594 -15.038 2.084 15 HA2 GLY 4 1HA GLY 4 18.256 -13.768 4.117 16 HA3 GLY 4 2HA GLY 4 18.981 -15.177 4.878 17 H SER 5 H SER 5 19.448 -11.979 4.009 18 HA SER 5 HA SER 5 22.375 -12.240 4.207 19 HB2 SER 5 1HB SER 5 21.556 -11.183 2.120 20 HB3 SER 5 2HB SER 5 20.767 -9.933 3.081 21 HG SER 5 HG SER 5 22.676 -9.038 2.628 22 H SER 6 H SER 6 19.887 -9.799 4.978 23 HA SER 6 HA SER 6 19.776 -8.274 6.681 24 HB2 SER 6 1HB SER 6 19.615 -9.259 8.863 25 HB3 SER 6 2HB SER 6 18.995 -10.443 7.712 26 HG SER 6 HG SER 6 21.491 -10.419 9.040 27 H GLY 7 H GLY 7 22.050 -7.762 5.447 28 HA2 GLY 7 1HA GLY 7 23.672 -6.567 7.404 29 HA3 GLY 7 2HA GLY 7 24.441 -8.062 6.892 30 H VAL 8 H VAL 8 22.530 -5.853 4.903 31 HA VAL 8 HA VAL 8 24.973 -5.029 3.501 32 HB VAL 8 HB VAL 8 23.996 -6.922 2.248 33 HG11 VAL 8 1HG1 VAL 8 21.646 -5.170 1.614 34 HG12 VAL 8 2HG1 VAL 8 21.845 -6.901 1.339 35 HG13 VAL 8 3HG1 VAL 8 21.617 -6.288 2.977 36 HG21 VAL 8 1HG2 VAL 8 25.203 -5.012 1.150 37 HG22 VAL 8 2HG2 VAL 8 24.107 -5.908 0.098 38 HG23 VAL 8 3HG2 VAL 8 23.624 -4.340 0.744 39 H LYS 9 H LYS 9 24.781 -3.072 2.309 40 HA LYS 9 HA LYS 9 22.872 -1.236 3.477 41 HB2 LYS 9 1HB LYS 9 24.186 0.503 2.543 42 HB3 LYS 9 2HB LYS 9 25.323 -0.713 3.111 43 HG2 LYS 9 1HG LYS 9 25.481 -1.575 0.790 44 HG3 LYS 9 2HG LYS 9 24.455 -0.236 0.268 45 HD2 LYS 9 1HD LYS 9 26.511 0.686 -0.114 46 HD3 LYS 9 2HD LYS 9 26.273 1.187 1.561 47 HE2 LYS 9 1HE LYS 9 28.458 0.321 1.472 48 HE3 LYS 9 2HE LYS 9 27.484 -0.947 2.214 49 HZ1 LYS 9 1HZ LYS 9 28.518 -2.208 0.685 50 HZ2 LYS 9 2HZ LYS 9 28.835 -0.913 -0.356 51 HZ3 LYS 9 3HZ LYS 9 27.304 -1.633 -0.344 52 HA PRO 10 HA PRO 10 19.961 -1.311 0.176 53 HB2 PRO 10 1HB PRO 10 18.852 1.143 0.520 54 HB3 PRO 10 2HB PRO 10 18.536 -0.215 1.607 55 HG2 PRO 10 1HG PRO 10 20.428 2.079 1.944 56 HG3 PRO 10 2HG PRO 10 19.335 1.347 3.133 57 HD2 PRO 10 1HD PRO 10 21.984 0.792 3.054 58 HD3 PRO 10 2HD PRO 10 20.773 -0.402 3.565 59 HA PRO 11 HA PRO 11 22.216 0.673 -3.116 60 HB2 PRO 11 1HB PRO 11 20.580 -0.140 -5.124 61 HB3 PRO 11 2HB PRO 11 21.757 -1.209 -4.352 62 HG2 PRO 11 1HG PRO 11 18.813 -0.969 -3.867 63 HG3 PRO 11 2HG PRO 11 19.810 -2.429 -4.000 64 HD2 PRO 11 1HD PRO 11 19.023 -1.414 -1.616 65 HD3 PRO 11 2HD PRO 11 20.569 -2.261 -1.830 66 H HIS 12 H HIS 12 18.675 0.908 -2.898 67 HA HIS 12 HA HIS 12 18.893 3.709 -3.784 68 HB2 HIS 12 1HB HIS 12 16.401 3.170 -4.573 69 HB3 HIS 12 2HB HIS 12 17.792 2.897 -5.617 70 HD1 HIS 12 1HD HIS 12 15.742 0.904 -3.101 71 HD2 HIS 12 2HD HIS 12 17.855 0.398 -6.642 72 HE1 HIS 12 1HE HIS 12 15.395 -1.500 -3.754 73 HE2 HIS 12 2HE HIS 12 16.752 -1.804 -5.853 74 H GLY 13 H GLY 13 17.096 1.340 -1.872 75 HA2 GLY 13 1HA GLY 13 16.711 2.216 0.475 76 HA3 GLY 13 2HA GLY 13 15.935 3.573 -0.328 77 H PHE 14 H PHE 14 15.698 0.173 -1.243 78 HA PHE 14 HA PHE 14 12.939 0.102 -0.261 79 HB2 PHE 14 1HB PHE 14 13.817 -0.441 -3.098 80 HB3 PHE 14 2HB PHE 14 12.276 -0.995 -2.451 81 HD1 PHE 14 1HD PHE 14 14.286 2.138 -2.701 82 HD2 PHE 14 2HD PHE 14 10.434 0.329 -2.787 83 HE1 PHE 14 1HE PHE 14 13.280 4.315 -3.250 84 HE2 PHE 14 2HE PHE 14 9.422 2.503 -3.338 85 HZ PHE 14 HZ PHE 14 10.845 4.499 -3.571 86 H GLN 15 H GLN 15 12.168 -1.940 0.258 87 HA GLN 15 HA GLN 15 14.156 -4.111 0.136 88 HB2 GLN 15 1HB GLN 15 12.177 -3.500 2.337 89 HB3 GLN 15 2HB GLN 15 13.195 -4.933 2.276 90 HG2 GLN 15 1HG GLN 15 15.116 -3.757 2.737 91 HG3 GLN 15 2HG GLN 15 14.453 -2.235 2.146 92 HE21 GLN 15 1HE2 GLN 15 14.827 -4.333 4.834 93 HE22 GLN 15 2HE2 GLN 15 14.076 -3.319 6.014 94 H LYS 16 H LYS 16 13.216 -6.305 0.238 95 HA LYS 16 HA LYS 16 10.926 -6.467 -1.540 96 HB2 LYS 16 1HB LYS 16 13.086 -8.313 -0.661 97 HB3 LYS 16 2HB LYS 16 11.562 -9.037 -1.160 98 HG2 LYS 16 1HG LYS 16 11.818 -8.418 -3.338 99 HG3 LYS 16 2HG LYS 16 12.779 -6.993 -2.936 100 HD2 LYS 16 1HD LYS 16 14.735 -8.173 -2.830 101 HD3 LYS 16 2HD LYS 16 13.933 -9.666 -2.335 102 HE2 LYS 16 1HE LYS 16 12.914 -9.544 -4.750 103 HE3 LYS 16 2HE LYS 16 14.317 -8.524 -5.064 104 HZ1 LYS 16 1HZ LYS 16 14.181 -11.343 -4.839 105 HZ2 LYS 16 2HZ LYS 16 15.260 -10.727 -3.692 106 HZ3 LYS 16 3HZ LYS 16 15.478 -10.376 -5.332 107 H LYS 17 H LYS 17 9.049 -7.680 -1.114 108 HA LYS 17 HA LYS 17 7.331 -8.517 0.127 109 HB2 LYS 17 1HB LYS 17 9.298 -8.914 2.379 110 HB3 LYS 17 2HB LYS 17 7.780 -9.761 2.115 111 HG2 LYS 17 1HG LYS 17 8.794 -10.675 -0.003 112 HG3 LYS 17 2HG LYS 17 10.334 -10.019 0.555 113 HD2 LYS 17 1HD LYS 17 10.510 -11.527 2.273 114 HD3 LYS 17 2HD LYS 17 8.762 -11.728 2.419 115 HE2 LYS 17 1HE LYS 17 9.288 -13.727 1.457 116 HE3 LYS 17 2HE LYS 17 9.048 -12.763 0.001 117 HZ1 LYS 17 1HZ LYS 17 11.715 -13.032 1.242 118 HZ2 LYS 17 2HZ LYS 17 11.328 -12.578 -0.341 119 HZ3 LYS 17 3HZ LYS 17 11.136 -14.186 0.149 120 H MET 18 H MET 18 8.245 -5.684 0.235 121 HA MET 18 HA MET 18 7.083 -4.916 2.829 122 HB2 MET 18 1HB MET 18 8.372 -2.989 2.835 123 HB3 MET 18 2HB MET 18 9.461 -4.154 2.094 124 HG2 MET 18 1HG MET 18 9.034 -3.287 -0.080 125 HG3 MET 18 2HG MET 18 7.725 -2.273 0.521 126 HE1 MET 18 1HE MET 18 10.591 -0.832 -1.166 127 HE2 MET 18 2HE MET 18 8.837 -0.720 -1.015 128 HE3 MET 18 3HE MET 18 9.862 0.563 -0.370 129 H LYS 19 H LYS 19 5.997 -2.651 2.659 130 HA LYS 19 HA LYS 19 4.200 -2.707 0.324 131 HB2 LYS 19 1HB LYS 19 3.666 -1.886 3.181 132 HB3 LYS 19 2HB LYS 19 2.550 -1.571 1.859 133 HG2 LYS 19 1HG LYS 19 3.470 -4.283 2.791 134 HG3 LYS 19 2HG LYS 19 1.896 -3.548 3.106 135 HD2 LYS 19 1HD LYS 19 1.495 -3.471 0.661 136 HD3 LYS 19 2HD LYS 19 3.023 -4.320 0.415 137 HE2 LYS 19 1HE LYS 19 0.956 -5.477 2.235 138 HE3 LYS 19 2HE LYS 19 0.777 -5.649 0.490 139 HZ1 LYS 19 1HZ LYS 19 2.110 -7.397 0.667 140 HZ2 LYS 19 2HZ LYS 19 2.516 -7.037 2.269 141 HZ3 LYS 19 3HZ LYS 19 3.380 -6.329 0.999 142 H LEU 20 H LEU 20 3.555 -0.736 -0.600 143 HA LEU 20 HA LEU 20 4.516 1.776 0.366 144 HB2 LEU 20 1HB LEU 20 6.260 2.219 -1.018 145 HB3 LEU 20 2HB LEU 20 6.468 0.477 -0.846 146 HG LEU 20 HG LEU 20 4.944 0.487 -3.035 147 HD11 LEU 20 1HD1 LEU 20 4.585 2.600 -3.696 148 HD12 LEU 20 2HD1 LEU 20 6.230 2.496 -4.324 149 HD13 LEU 20 3HD1 LEU 20 5.931 3.235 -2.751 150 HD21 LEU 20 1HD2 LEU 20 7.578 1.070 -3.938 151 HD22 LEU 20 2HD2 LEU 20 6.785 -0.497 -3.779 152 HD23 LEU 20 3HD2 LEU 20 7.690 0.176 -2.422 153 H GLU 21 H GLU 21 3.438 3.473 -0.549 154 HA GLU 21 HA GLU 21 1.188 2.809 -2.228 155 HB2 GLU 21 1HB GLU 21 2.115 5.353 -0.905 156 HB3 GLU 21 2HB GLU 21 0.740 5.318 -1.999 157 HG2 GLU 21 1HG GLU 21 -0.326 3.633 -0.531 158 HG3 GLU 21 2HG GLU 21 1.018 3.819 0.594 159 H VAL 22 H VAL 22 1.307 2.743 -4.363 160 HA VAL 22 HA VAL 22 3.289 4.443 -5.726 161 HB VAL 22 HB VAL 22 1.988 1.911 -6.739 162 HG11 VAL 22 1HG1 VAL 22 2.663 2.564 -8.750 163 HG12 VAL 22 2HG1 VAL 22 3.393 4.021 -8.073 164 HG13 VAL 22 3HG1 VAL 22 4.327 2.528 -8.169 165 HG21 VAL 22 1HG2 VAL 22 3.522 1.432 -4.923 166 HG22 VAL 22 2HG2 VAL 22 4.219 0.909 -6.456 167 HG23 VAL 22 3HG2 VAL 22 4.777 2.400 -5.697 168 H VAL 23 H VAL 23 2.671 5.803 -7.338 169 HA VAL 23 HA VAL 23 -0.142 6.430 -7.517 170 HB VAL 23 HB VAL 23 2.244 7.682 -8.884 171 HG11 VAL 23 1HG1 VAL 23 0.829 9.418 -9.637 172 HG12 VAL 23 2HG1 VAL 23 0.018 7.911 -10.069 173 HG13 VAL 23 3HG1 VAL 23 -0.525 8.836 -8.669 174 HG21 VAL 23 1HG2 VAL 23 0.606 8.626 -6.533 175 HG22 VAL 23 2HG2 VAL 23 2.225 7.933 -6.441 176 HG23 VAL 23 3HG2 VAL 23 1.971 9.473 -7.261 177 H ASP 24 H ASP 24 -1.439 5.374 -8.856 178 HA ASP 24 HA ASP 24 -0.700 3.637 -10.876 179 HB2 ASP 24 1HB ASP 24 -3.015 4.059 -9.755 180 HB3 ASP 24 2HB ASP 24 -3.254 5.204 -11.072 181 H LYS 25 H LYS 25 0.534 4.113 -12.570 182 HA LYS 25 HA LYS 25 1.118 6.511 -13.699 183 HB2 LYS 25 1HB LYS 25 0.729 4.272 -15.616 184 HB3 LYS 25 2HB LYS 25 2.102 5.353 -15.414 185 HG2 LYS 25 1HG LYS 25 1.391 2.952 -13.751 186 HG3 LYS 25 2HG LYS 25 2.806 3.181 -14.781 187 HD2 LYS 25 1HD LYS 25 2.307 5.077 -12.528 188 HD3 LYS 25 2HD LYS 25 2.990 3.486 -12.187 189 HE2 LYS 25 1HE LYS 25 4.132 5.390 -14.222 190 HE3 LYS 25 2HE LYS 25 4.665 5.326 -12.543 191 HZ1 LYS 25 1HZ LYS 25 5.572 3.778 -14.639 192 HZ2 LYS 25 2HZ LYS 25 4.650 2.732 -13.681 193 HZ3 LYS 25 3HZ LYS 25 5.939 3.589 -12.998 194 H ARG 26 H ARG 26 -1.384 4.315 -14.990 195 HA ARG 26 HA ARG 26 -2.419 6.079 -16.886 196 HB2 ARG 26 1HB ARG 26 -4.518 4.666 -16.680 197 HB3 ARG 26 2HB ARG 26 -3.034 3.802 -17.058 198 HG2 ARG 26 1HG ARG 26 -3.017 3.641 -14.365 199 HG3 ARG 26 2HG ARG 26 -4.753 3.662 -14.680 200 HD2 ARG 26 1HD ARG 26 -3.933 1.379 -14.634 201 HD3 ARG 26 2HD ARG 26 -4.476 1.802 -16.258 202 HE ARG 26 HE ARG 26 -1.652 2.176 -15.795 203 HH11 ARG 26 2HH1 ARG 26 -4.152 -0.012 -16.836 204 HH12 ARG 26 1HH1 ARG 26 -3.077 -1.005 -17.764 205 HH21 ARG 26 2HH2 ARG 26 -0.227 0.876 -17.013 206 HH22 ARG 26 1HH2 ARG 26 -0.845 -0.500 -17.863 207 H ASN 27 H ASN 27 -3.099 5.738 -13.460 208 HA ASN 27 HA ASN 27 -4.799 8.137 -13.627 209 HB2 ASN 27 1HB ASN 27 -5.200 5.856 -11.682 210 HB3 ASN 27 2HB ASN 27 -6.234 7.267 -11.889 211 HD21 ASN 27 1HD2 ASN 27 -7.849 5.517 -12.113 212 HD22 ASN 27 2HD2 ASN 27 -8.118 4.866 -13.691 213 HA PRO 28 HA PRO 28 -1.306 9.177 -10.870 214 HB2 PRO 28 1HB PRO 28 -1.366 11.826 -11.460 215 HB3 PRO 28 2HB PRO 28 -0.532 10.637 -12.466 216 HG2 PRO 28 1HG PRO 28 -3.234 11.870 -12.838 217 HG3 PRO 28 2HG PRO 28 -1.968 11.564 -14.042 218 HD2 PRO 28 1HD PRO 28 -4.121 9.947 -13.748 219 HD3 PRO 28 2HD PRO 28 -2.531 9.339 -14.253 220 H MET 29 H MET 29 -4.602 10.123 -11.044 221 HA MET 29 HA MET 29 -4.485 11.662 -8.570 222 HB2 MET 29 1HB MET 29 -6.713 11.060 -10.512 223 HB3 MET 29 2HB MET 29 -6.982 11.891 -8.986 224 HG2 MET 29 1HG MET 29 -6.721 13.702 -10.302 225 HG3 MET 29 2HG MET 29 -5.023 13.418 -9.927 226 HE1 MET 29 1HE MET 29 -5.901 14.791 -13.500 227 HE2 MET 29 2HE MET 29 -5.562 15.196 -11.817 228 HE3 MET 29 3HE MET 29 -4.248 14.713 -12.891 229 H PHE 30 H PHE 30 -4.225 8.574 -9.048 230 HA PHE 30 HA PHE 30 -5.888 7.869 -6.734 231 HB2 PHE 30 1HB PHE 30 -5.812 6.530 -9.410 232 HB3 PHE 30 2HB PHE 30 -6.081 5.553 -7.969 233 HD1 PHE 30 2HD PHE 30 -7.367 8.526 -9.785 234 HD2 PHE 30 1HD PHE 30 -8.206 5.370 -7.056 235 HE1 PHE 30 2HE PHE 30 -9.752 9.127 -9.830 236 HE2 PHE 30 1HE PHE 30 -10.594 5.965 -7.097 237 HZ PHE 30 HZ PHE 30 -11.369 7.846 -8.485 238 H ILE 31 H ILE 31 -4.895 6.635 -5.235 239 HA ILE 31 HA ILE 31 -2.290 5.451 -5.930 240 HB ILE 31 HB ILE 31 -2.947 7.007 -3.427 241 HG12 ILE 31 1HG1 ILE 31 -0.658 7.567 -5.276 242 HG13 ILE 31 2HG1 ILE 31 -2.270 8.126 -5.706 243 HG21 ILE 31 1HG2 ILE 31 -0.329 5.681 -4.087 244 HG22 ILE 31 2HG2 ILE 31 -0.818 6.433 -2.569 245 HG23 ILE 31 3HG2 ILE 31 -1.566 4.922 -3.085 246 HD11 ILE 31 1HD1 ILE 31 -1.457 9.954 -4.613 247 HD12 ILE 31 2HD1 ILE 31 -2.230 9.103 -3.275 248 HD13 ILE 31 3HD1 ILE 31 -0.484 8.994 -3.499 249 H ARG 32 H ARG 32 -1.784 3.514 -4.960 250 HA ARG 32 HA ARG 32 -3.681 2.386 -3.038 251 HB2 ARG 32 1HB ARG 32 -2.961 1.188 -5.708 252 HB3 ARG 32 2HB ARG 32 -3.574 0.211 -4.380 253 HG2 ARG 32 1HG ARG 32 -5.493 2.006 -4.374 254 HG3 ARG 32 2HG ARG 32 -4.965 2.245 -6.041 255 HD2 ARG 32 1HD ARG 32 -5.141 -0.299 -6.263 256 HD3 ARG 32 2HD ARG 32 -6.049 -0.241 -4.752 257 HE ARG 32 HE ARG 32 -7.037 1.551 -6.773 258 HH11 ARG 32 2HH1 ARG 32 -7.162 -1.686 -5.498 259 HH12 ARG 32 1HH1 ARG 32 -8.737 -2.018 -6.140 260 HH21 ARG 32 2HH2 ARG 32 -9.110 1.126 -7.624 261 HH22 ARG 32 1HH2 ARG 32 -9.843 -0.418 -7.350 262 H VAL 33 H VAL 33 -2.807 0.039 -2.463 263 HA VAL 33 HA VAL 33 -0.116 0.472 -1.481 264 HB VAL 33 HB VAL 33 -1.995 -1.851 -1.034 265 HG11 VAL 33 1HG1 VAL 33 -0.471 -2.811 0.340 266 HG12 VAL 33 2HG1 VAL 33 0.661 -1.968 -0.720 267 HG13 VAL 33 3HG1 VAL 33 0.218 -1.266 0.837 268 HG21 VAL 33 1HG2 VAL 33 -1.657 -0.442 1.336 269 HG22 VAL 33 2HG2 VAL 33 -1.854 0.806 0.105 270 HG23 VAL 33 3HG2 VAL 33 -3.086 -0.440 0.302 271 H ALA 34 H ALA 34 1.696 -0.587 -2.102 272 HA ALA 34 HA ALA 34 1.421 -2.577 -4.260 273 HB1 ALA 34 1HB ALA 34 3.170 -1.655 -5.448 274 HB2 ALA 34 2HB ALA 34 2.381 -0.218 -4.797 275 HB3 ALA 34 3HB ALA 34 3.843 -0.843 -4.034 276 H THR 35 H THR 35 3.256 -4.086 -4.440 277 HA THR 35 HA THR 35 4.598 -4.561 -1.863 278 HB THR 35 HB THR 35 3.333 -6.687 -3.604 279 HG1 THR 35 1HG THR 35 2.007 -5.265 -2.108 280 HG21 THR 35 1HG2 THR 35 5.542 -7.047 -2.128 281 HG22 THR 35 2HG2 THR 35 4.305 -8.290 -2.318 282 HG23 THR 35 3HG2 THR 35 4.322 -7.276 -0.876 283 H VAL 36 H VAL 36 6.674 -4.143 -2.312 284 HA VAL 36 HA VAL 36 7.931 -4.340 -4.789 285 HB VAL 36 HB VAL 36 9.349 -4.723 -2.157 286 HG11 VAL 36 1HG1 VAL 36 10.300 -4.693 -4.733 287 HG12 VAL 36 2HG1 VAL 36 10.546 -3.028 -4.205 288 HG13 VAL 36 3HG1 VAL 36 11.246 -4.359 -3.283 289 HG21 VAL 36 1HG2 VAL 36 7.984 -2.839 -1.770 290 HG22 VAL 36 2HG2 VAL 36 9.563 -2.194 -2.218 291 HG23 VAL 36 3HG2 VAL 36 8.251 -2.212 -3.397 292 H ALA 37 H ALA 37 7.870 -6.177 -5.947 293 HA ALA 37 HA ALA 37 8.220 -8.762 -4.693 294 HB1 ALA 37 1HB ALA 37 8.132 -8.318 -7.653 295 HB2 ALA 37 2HB ALA 37 7.569 -9.702 -6.714 296 HB3 ALA 37 3HB ALA 37 6.670 -8.185 -6.674 297 H ASP 38 H ASP 38 9.955 -6.812 -7.113 298 HA ASP 38 HA ASP 38 12.429 -8.184 -6.328 299 HB2 ASP 38 1HB ASP 38 11.288 -8.957 -8.584 300 HB3 ASP 38 2HB ASP 38 12.034 -7.487 -9.207 301 H THR 39 H THR 39 14.150 -6.875 -6.084 302 HA THR 39 HA THR 39 13.768 -4.032 -6.735 303 HB THR 39 HB THR 39 15.524 -3.592 -5.032 304 HG1 THR 39 1HG THR 39 15.296 -6.403 -4.616 305 HG21 THR 39 1HG2 THR 39 13.473 -5.259 -3.651 306 HG22 THR 39 2HG2 THR 39 12.937 -3.878 -4.608 307 HG23 THR 39 3HG2 THR 39 14.056 -3.641 -3.265 308 H ASP 40 H ASP 40 14.741 -3.479 -8.571 309 HA ASP 40 HA ASP 40 16.986 -4.913 -9.627 310 HB2 ASP 40 1HB ASP 40 15.077 -3.592 -10.865 311 HB3 ASP 40 2HB ASP 40 16.168 -2.225 -10.657 312 H ASP 41 H ASP 41 18.727 -3.187 -10.643 313 HA ASP 41 HA ASP 41 20.328 -2.466 -8.418 314 HB2 ASP 41 1HB ASP 41 20.573 -1.980 -11.382 315 HB3 ASP 41 2HB ASP 41 21.755 -1.350 -10.238 316 H HIS 42 H HIS 42 18.309 -0.627 -10.650 317 HA HIS 42 HA HIS 42 18.536 1.677 -8.838 318 HB2 HIS 42 1HB HIS 42 18.172 2.982 -11.141 319 HB3 HIS 42 2HB HIS 42 19.775 2.592 -10.526 320 HD1 HIS 42 1HD HIS 42 20.859 2.453 -12.833 321 HD2 HIS 42 2HD HIS 42 17.639 -0.130 -12.357 322 HE1 HIS 42 1HE HIS 42 20.936 0.909 -14.817 323 HE2 HIS 42 2HE HIS 42 18.930 -0.590 -14.551 324 H ARG 43 H ARG 43 16.550 -0.595 -9.771 325 HA ARG 43 HA ARG 43 14.202 1.137 -9.591 326 HB2 ARG 43 1HB ARG 43 14.371 -1.088 -11.625 327 HB3 ARG 43 2HB ARG 43 13.067 0.074 -11.417 328 HG2 ARG 43 1HG ARG 43 14.954 1.819 -11.918 329 HG3 ARG 43 2HG ARG 43 15.744 0.429 -12.665 330 HD2 ARG 43 1HD ARG 43 13.396 0.107 -13.795 331 HD3 ARG 43 2HD ARG 43 13.221 1.823 -13.428 332 HE ARG 43 HE ARG 43 14.768 2.304 -15.055 333 HH11 ARG 43 2HH1 ARG 43 14.803 -1.112 -14.384 334 HH12 ARG 43 1HH1 ARG 43 15.824 -1.498 -15.730 335 HH21 ARG 43 2HH2 ARG 43 16.112 1.808 -16.830 336 HH22 ARG 43 1HH2 ARG 43 16.568 0.163 -17.120 337 H VAL 44 H VAL 44 12.165 -0.321 -9.374 338 HA VAL 44 HA VAL 44 12.663 -2.864 -8.073 339 HB VAL 44 HB VAL 44 11.471 -2.250 -6.006 340 HG11 VAL 44 1HG1 VAL 44 13.763 -0.344 -6.285 341 HG12 VAL 44 2HG1 VAL 44 13.321 -1.364 -4.915 342 HG13 VAL 44 3HG1 VAL 44 14.024 -2.086 -6.363 343 HG21 VAL 44 1HG2 VAL 44 11.519 0.370 -5.630 344 HG22 VAL 44 2HG2 VAL 44 11.321 0.380 -7.382 345 HG23 VAL 44 3HG2 VAL 44 10.133 -0.435 -6.365 346 H LYS 45 H LYS 45 11.170 -4.190 -8.841 347 HA LYS 45 HA LYS 45 8.877 -3.336 -10.241 348 HB2 LYS 45 1HB LYS 45 10.105 -5.542 -10.494 349 HB3 LYS 45 2HB LYS 45 9.284 -6.071 -9.031 350 HG2 LYS 45 1HG LYS 45 7.190 -6.057 -10.057 351 HG3 LYS 45 2HG LYS 45 7.751 -5.045 -11.391 352 HD2 LYS 45 1HD LYS 45 9.360 -7.084 -11.822 353 HD3 LYS 45 2HD LYS 45 8.120 -7.968 -10.930 354 HE2 LYS 45 1HE LYS 45 7.256 -6.153 -13.121 355 HE3 LYS 45 2HE LYS 45 8.015 -7.683 -13.559 356 HZ1 LYS 45 1HZ LYS 45 5.571 -7.301 -11.921 357 HZ2 LYS 45 2HZ LYS 45 6.353 -8.789 -12.105 358 HZ3 LYS 45 3HZ LYS 45 5.677 -8.017 -13.450 359 H VAL 46 H VAL 46 7.046 -2.549 -9.461 360 HA VAL 46 HA VAL 46 6.293 -3.175 -6.691 361 HB VAL 46 HB VAL 46 4.708 -1.221 -6.969 362 HG11 VAL 46 1HG1 VAL 46 7.293 -1.312 -6.160 363 HG12 VAL 46 2HG1 VAL 46 7.376 -0.068 -7.409 364 HG13 VAL 46 3HG1 VAL 46 6.265 0.117 -6.050 365 HG21 VAL 46 1HG2 VAL 46 4.500 -0.164 -8.916 366 HG22 VAL 46 2HG2 VAL 46 6.246 0.033 -9.064 367 HG23 VAL 46 3HG2 VAL 46 5.473 -1.442 -9.643 368 H HIS 47 H HIS 47 4.791 -4.677 -6.424 369 HA HIS 47 HA HIS 47 2.852 -5.152 -8.580 370 HB2 HIS 47 1HB HIS 47 3.983 -7.166 -8.121 371 HB3 HIS 47 2HB HIS 47 3.934 -6.899 -6.381 372 HD1 HIS 47 1HD HIS 47 2.084 -8.453 -9.149 373 HD2 HIS 47 2HD HIS 47 1.346 -7.375 -5.205 374 HE1 HIS 47 1HE HIS 47 -0.017 -9.674 -8.500 375 HE2 HIS 47 2HE HIS 47 -0.491 -8.939 -6.137 376 H PHE 48 H PHE 48 0.853 -4.436 -8.313 377 HA PHE 48 HA PHE 48 -0.022 -3.363 -5.800 378 HB2 PHE 48 1HB PHE 48 -1.310 -3.644 -8.509 379 HB3 PHE 48 2HB PHE 48 -2.203 -3.038 -7.118 380 HD1 PHE 48 1HD PHE 48 1.268 -2.446 -8.347 381 HD2 PHE 48 2HD PHE 48 -2.514 -0.775 -7.337 382 HE1 PHE 48 1HE PHE 48 2.156 -0.190 -8.767 383 HE2 PHE 48 2HE PHE 48 -1.633 1.483 -7.757 384 HZ PHE 48 HZ PHE 48 0.705 1.778 -8.473 385 H ASP 49 H ASP 49 -0.789 -4.566 -4.206 386 HA ASP 49 HA ASP 49 -1.410 -7.241 -4.267 387 HB2 ASP 49 1HB ASP 49 -1.183 -5.558 -2.269 388 HB3 ASP 49 2HB ASP 49 -2.933 -5.437 -2.423 389 H GLY 50 H GLY 50 -3.009 -8.419 -5.089 390 HA2 GLY 50 1HA GLY 50 -5.269 -8.955 -5.512 391 HA3 GLY 50 2HA GLY 50 -5.677 -7.253 -5.360 392 H TRP 51 H TRP 51 -3.905 -6.107 -7.137 393 HA TRP 51 HA TRP 51 -5.238 -6.418 -9.577 394 HB2 TRP 51 1HB TRP 51 -2.538 -5.203 -8.965 395 HB3 TRP 51 2HB TRP 51 -3.346 -5.069 -10.524 396 HD1 TRP 51 HD TRP 51 -5.185 -4.705 -7.164 397 HE1 TRP 51 1HE TRP 51 -6.121 -2.312 -7.009 398 HE3 TRP 51 3HE TRP 51 -3.074 -2.734 -11.382 399 HZ2 TRP 51 2HZ TRP 51 -5.983 0.093 -8.481 400 HZ3 TRP 51 3HZ TRP 51 -3.527 -0.380 -11.938 401 HH2 TRP 51 HH TRP 51 -4.951 1.002 -10.516 402 H ASN 52 H ASN 52 -4.419 -7.174 -11.627 403 HA ASN 52 HA ASN 52 -3.293 -9.777 -11.449 404 HB2 ASN 52 1HB ASN 52 -4.202 -7.990 -13.662 405 HB3 ASN 52 2HB ASN 52 -3.176 -9.362 -14.069 406 HD21 ASN 52 1HD2 ASN 52 -4.423 -10.880 -14.887 407 HD22 ASN 52 2HD2 ASN 52 -5.917 -11.435 -14.218 408 H ASN 53 H ASN 53 -1.268 -10.511 -11.877 409 HA ASN 53 HA ASN 53 0.967 -9.079 -11.350 410 HB2 ASN 53 1HB ASN 53 0.492 -11.515 -13.010 411 HB3 ASN 53 2HB ASN 53 2.094 -10.784 -13.041 412 HD21 ASN 53 1HD2 ASN 53 3.318 -10.721 -11.139 413 HD22 ASN 53 2HD2 ASN 53 2.971 -11.764 -9.806 414 H CYS 54 H CYS 54 -0.577 -9.414 -14.512 415 HA CYS 54 HA CYS 54 1.255 -8.292 -16.189 416 HB2 CYS 54 1HB CYS 54 -1.743 -7.999 -16.121 417 HB3 CYS 54 2HB CYS 54 -0.772 -7.309 -17.415 418 HG CYS 54 HG CYS 54 0.193 -9.726 -18.348 419 H TYR 55 H TYR 55 -1.257 -6.428 -14.470 420 HA TYR 55 HA TYR 55 -0.668 -3.894 -15.144 421 HB2 TYR 55 1HB TYR 55 -1.344 -4.999 -12.422 422 HB3 TYR 55 2HB TYR 55 -1.214 -3.269 -12.722 423 HD1 TYR 55 2HD TYR 55 -3.180 -6.294 -13.350 424 HD2 TYR 55 1HD TYR 55 -2.873 -2.111 -14.066 425 HE1 TYR 55 2HE TYR 55 -5.511 -6.263 -14.133 426 HE2 TYR 55 1HE TYR 55 -5.204 -2.068 -14.850 427 HH TYR 55 HH TYR 55 -7.278 -4.887 -14.600 428 H ASP 56 H ASP 56 1.103 -5.783 -12.718 429 HA ASP 56 HA ASP 56 2.826 -4.057 -11.615 430 HB2 ASP 56 1HB ASP 56 3.810 -6.628 -12.860 431 HB3 ASP 56 2HB ASP 56 4.452 -5.811 -11.438 432 H TYR 57 H TYR 57 4.780 -3.046 -12.099 433 HA TYR 57 HA TYR 57 5.884 -3.185 -14.762 434 HB2 TYR 57 1HB TYR 57 5.659 -0.645 -15.027 435 HB3 TYR 57 2HB TYR 57 4.220 -1.615 -15.326 436 HD1 TYR 57 2HD TYR 57 5.899 0.228 -12.542 437 HD2 TYR 57 1HD TYR 57 2.233 -0.960 -14.345 438 HE1 TYR 57 2HE TYR 57 4.661 1.569 -10.893 439 HE2 TYR 57 1HE TYR 57 0.984 0.378 -12.702 440 HH TYR 57 HH TYR 57 1.368 2.307 -11.226 441 H TRP 58 H TRP 58 7.965 -2.360 -14.897 442 HA TRP 58 HA TRP 58 9.382 -2.182 -12.426 443 HB2 TRP 58 1HB TRP 58 10.116 -2.063 -15.321 444 HB3 TRP 58 2HB TRP 58 11.279 -1.484 -14.132 445 HD1 TRP 58 HD TRP 58 10.175 -4.581 -15.807 446 HE1 TRP 58 1HE TRP 58 11.221 -6.645 -14.680 447 HE3 TRP 58 3HE TRP 58 11.927 -2.375 -11.541 448 HZ2 TRP 58 2HZ TRP 58 12.606 -7.257 -12.298 449 HZ3 TRP 58 3HZ TRP 58 13.100 -3.770 -9.889 450 HH2 TRP 58 HH TRP 58 13.431 -6.160 -10.261 451 H ILE 59 H ILE 59 9.110 -0.420 -11.198 452 HA ILE 59 HA ILE 59 9.194 2.220 -12.494 453 HB ILE 59 HB ILE 59 7.195 1.615 -11.060 454 HG12 ILE 59 1HG1 ILE 59 8.671 3.991 -9.952 455 HG13 ILE 59 2HG1 ILE 59 8.109 3.969 -11.620 456 HG21 ILE 59 1HG2 ILE 59 9.302 1.765 -8.917 457 HG22 ILE 59 2HG2 ILE 59 7.578 1.936 -8.590 458 HG23 ILE 59 3HG2 ILE 59 8.202 0.433 -9.269 459 HD11 ILE 59 1HD1 ILE 59 6.024 4.424 -11.016 460 HD12 ILE 59 2HD1 ILE 59 6.036 3.197 -9.749 461 HD13 ILE 59 3HD1 ILE 59 6.682 4.805 -9.425 462 H ASP 60 H ASP 60 10.636 3.772 -11.839 463 HA ASP 60 HA ASP 60 13.099 2.902 -10.764 464 HB2 ASP 60 1HB ASP 60 11.986 5.657 -11.298 465 HB3 ASP 60 2HB ASP 60 13.623 5.384 -10.710 466 H ALA 61 H ALA 61 13.826 2.797 -8.736 467 HA ALA 61 HA ALA 61 12.119 3.070 -6.528 468 HB1 ALA 61 1HB ALA 61 13.810 2.188 -5.320 469 HB2 ALA 61 2HB ALA 61 14.481 1.851 -6.917 470 HB3 ALA 61 3HB ALA 61 15.017 3.269 -6.016 471 H ASP 62 H ASP 62 14.207 5.341 -8.123 472 HA ASP 62 HA ASP 62 13.907 7.280 -5.950 473 HB2 ASP 62 1HB ASP 62 15.429 8.650 -7.578 474 HB3 ASP 62 2HB ASP 62 16.123 7.333 -6.635 475 H SER 63 H SER 63 11.746 6.401 -7.843 476 HA SER 63 HA SER 63 11.222 8.679 -9.519 477 HB2 SER 63 1HB SER 63 10.475 6.326 -10.037 478 HB3 SER 63 2HB SER 63 9.293 6.484 -8.738 479 HG SER 63 HG SER 63 8.300 7.047 -10.652 480 HA PRO 64 HA PRO 64 9.216 11.219 -6.532 481 HB2 PRO 64 1HB PRO 64 7.758 12.768 -8.219 482 HB3 PRO 64 2HB PRO 64 9.507 12.938 -8.028 483 HG2 PRO 64 1HG PRO 64 7.964 11.516 -10.163 484 HG3 PRO 64 2HG PRO 64 9.384 12.568 -10.320 485 HD2 PRO 64 1HD PRO 64 9.558 9.866 -10.386 486 HD3 PRO 64 2HD PRO 64 10.849 10.891 -9.725 487 H ASP 65 H ASP 65 7.441 9.312 -8.841 488 HA ASP 65 HA ASP 65 4.847 9.838 -7.751 489 HB2 ASP 65 1HB ASP 65 5.413 7.340 -9.285 490 HB3 ASP 65 2HB ASP 65 4.032 8.429 -9.384 491 H ILE 66 H ILE 66 7.365 7.470 -7.201 492 HA ILE 66 HA ILE 66 5.847 5.603 -5.730 493 HB ILE 66 HB ILE 66 8.787 6.228 -5.798 494 HG12 ILE 66 1HG1 ILE 66 7.149 3.842 -6.682 495 HG13 ILE 66 2HG1 ILE 66 7.821 5.080 -7.738 496 HG21 ILE 66 1HG2 ILE 66 9.082 4.130 -4.448 497 HG22 ILE 66 2HG2 ILE 66 8.444 5.512 -3.559 498 HG23 ILE 66 3HG2 ILE 66 7.362 4.217 -4.071 499 HD11 ILE 66 1HD1 ILE 66 9.434 3.529 -7.993 500 HD12 ILE 66 2HD1 ILE 66 10.063 4.283 -6.527 501 HD13 ILE 66 3HD1 ILE 66 9.129 2.791 -6.421 502 H HIS 67 H HIS 67 4.972 5.746 -3.779 503 HA HIS 67 HA HIS 67 6.139 7.623 -1.835 504 HB2 HIS 67 1HB HIS 67 3.180 7.140 -2.236 505 HB3 HIS 67 2HB HIS 67 3.913 8.253 -1.085 506 HD1 HIS 67 1HD HIS 67 5.574 10.100 -2.452 507 HD2 HIS 67 2HD HIS 67 2.330 8.432 -4.440 508 HE1 HIS 67 1HE HIS 67 5.088 11.655 -4.367 509 HE2 HIS 67 2HE HIS 67 3.068 10.670 -5.505 510 HA PRO 68 HA PRO 68 6.206 4.170 0.892 511 HB2 PRO 68 1HB PRO 68 6.292 5.494 3.260 512 HB3 PRO 68 2HB PRO 68 7.675 5.395 2.164 513 HG2 PRO 68 1HG PRO 68 5.705 7.619 2.533 514 HG3 PRO 68 2HG PRO 68 7.467 7.704 2.347 515 HD2 PRO 68 1HD PRO 68 5.761 8.201 0.304 516 HD3 PRO 68 2HD PRO 68 7.362 7.477 0.056 517 H VAL 69 H VAL 69 4.955 3.077 2.493 518 HA VAL 69 HA VAL 69 2.223 3.142 2.181 519 HB VAL 69 HB VAL 69 3.918 2.120 4.443 520 HG11 VAL 69 1HG1 VAL 69 2.012 2.498 5.670 521 HG12 VAL 69 2HG1 VAL 69 0.945 2.298 4.278 522 HG13 VAL 69 3HG1 VAL 69 1.686 0.886 5.034 523 HG21 VAL 69 1HG2 VAL 69 2.451 0.069 3.278 524 HG22 VAL 69 2HG2 VAL 69 2.915 1.102 1.926 525 HG23 VAL 69 3HG2 VAL 69 4.152 0.441 2.996 526 H GLY 70 H GLY 70 4.209 5.169 4.163 527 HA2 GLY 70 1HA GLY 70 1.892 6.169 5.651 528 HA3 GLY 70 2HA GLY 70 3.575 6.548 5.983 529 H TRP 71 H TRP 71 1.952 6.725 2.854 530 HA TRP 71 HA TRP 71 2.730 9.534 2.677 531 HB2 TRP 71 1HB TRP 71 3.323 8.045 0.812 532 HB3 TRP 71 2HB TRP 71 1.619 7.671 0.566 533 HD1 TRP 71 HD TRP 71 4.226 10.347 -0.123 534 HE1 TRP 71 1HE TRP 71 3.224 12.105 -1.712 535 HE3 TRP 71 3HE TRP 71 -0.643 8.787 -0.092 536 HZ2 TRP 71 2HZ TRP 71 0.703 12.747 -2.808 537 HZ3 TRP 71 3HZ TRP 71 -2.287 10.028 -1.438 538 HH2 TRP 71 HH TRP 71 -1.626 11.967 -2.766 539 H CYS 72 H CYS 72 -0.157 7.624 1.795 540 HA CYS 72 HA CYS 72 -1.974 9.574 1.354 541 HB2 CYS 72 1HB CYS 72 -3.714 8.046 2.081 542 HB3 CYS 72 2HB CYS 72 -2.455 7.146 1.244 543 HG CYS 72 HG CYS 72 -1.262 6.298 3.703 544 H SER 73 H SER 73 -0.486 8.828 4.380 545 HA SER 73 HA SER 73 -2.403 10.409 5.900 546 HB2 SER 73 1HB SER 73 0.106 8.976 6.809 547 HB3 SER 73 2HB SER 73 -1.087 9.734 7.864 548 HG SER 73 HG SER 73 -1.441 7.492 6.169 549 H LYS 74 H LYS 74 1.150 10.390 5.560 550 HA LYS 74 HA LYS 74 1.745 12.795 6.708 551 HB2 LYS 74 1HB LYS 74 3.805 12.703 5.635 552 HB3 LYS 74 2HB LYS 74 3.288 11.022 5.606 553 HG2 LYS 74 1HG LYS 74 2.434 11.411 3.289 554 HG3 LYS 74 2HG LYS 74 3.192 13.005 3.346 555 HD2 LYS 74 1HD LYS 74 5.328 11.683 4.001 556 HD3 LYS 74 2HD LYS 74 4.470 10.296 3.325 557 HE2 LYS 74 1HE LYS 74 4.100 11.774 1.266 558 HE3 LYS 74 2HE LYS 74 5.342 12.820 1.951 559 HZ1 LYS 74 1HZ LYS 74 6.876 10.958 1.931 560 HZ2 LYS 74 2HZ LYS 74 6.275 11.243 0.376 561 HZ3 LYS 74 3HZ LYS 74 5.684 9.945 1.286 562 H THR 75 H THR 75 0.373 12.223 3.535 563 HA THR 75 HA THR 75 0.448 15.093 2.940 564 HB THR 75 HB THR 75 -0.144 14.530 0.672 565 HG1 THR 75 1HG THR 75 -0.748 12.044 1.825 566 HG21 THR 75 1HG2 THR 75 1.741 13.008 0.070 567 HG22 THR 75 2HG2 THR 75 1.979 12.698 1.790 568 HG23 THR 75 3HG2 THR 75 2.204 14.325 1.147 569 H GLY 76 H GLY 76 -1.638 12.684 4.121 570 HA2 GLY 76 1HA GLY 76 -3.830 12.805 4.815 571 HA3 GLY 76 2HA GLY 76 -3.792 14.520 4.430 572 H HIS 77 H HIS 77 -2.988 12.183 1.995 573 HA HIS 77 HA HIS 77 -5.325 13.013 0.465 574 HB2 HIS 77 1HB HIS 77 -2.694 11.778 -0.178 575 HB3 HIS 77 2HB HIS 77 -4.042 11.424 -1.256 576 HD1 HIS 77 1HD HIS 77 -5.422 14.112 -1.430 577 HD2 HIS 77 2HD HIS 77 -1.292 13.668 -1.516 578 HE1 HIS 77 1HE HIS 77 -4.547 16.176 -2.571 579 HE2 HIS 77 2HE HIS 77 -2.053 15.844 -2.688 580 HA PRO 78 HA PRO 78 -7.640 9.336 1.099 581 HB2 PRO 78 1HB PRO 78 -8.970 9.172 -1.262 582 HB3 PRO 78 2HB PRO 78 -9.353 10.376 -0.026 583 HG2 PRO 78 1HG PRO 78 -7.714 10.670 -2.515 584 HG3 PRO 78 2HG PRO 78 -8.925 11.774 -1.835 585 HD2 PRO 78 1HD PRO 78 -6.263 12.164 -1.529 586 HD3 PRO 78 2HD PRO 78 -7.447 12.650 -0.299 587 H LEU 79 H LEU 79 -7.430 7.171 0.825 588 HA LEU 79 HA LEU 79 -5.691 6.256 -1.371 589 HB2 LEU 79 1HB LEU 79 -4.768 6.098 0.962 590 HB3 LEU 79 2HB LEU 79 -6.041 4.929 1.309 591 HG LEU 79 HG LEU 79 -5.070 3.549 -0.603 592 HD11 LEU 79 1HD1 LEU 79 -2.586 4.002 -0.898 593 HD12 LEU 79 2HD1 LEU 79 -2.915 5.611 -0.256 594 HD13 LEU 79 3HD1 LEU 79 -3.700 5.077 -1.742 595 HD21 LEU 79 1HD2 LEU 79 -4.752 3.294 1.960 596 HD22 LEU 79 2HD2 LEU 79 -3.115 3.866 1.638 597 HD23 LEU 79 3HD2 LEU 79 -3.704 2.395 0.863 598 H GLN 80 H GLN 80 -6.112 4.138 -2.231 599 HA GLN 80 HA GLN 80 -8.933 3.341 -1.942 600 HB2 GLN 80 1HB GLN 80 -7.112 3.254 -4.345 601 HB3 GLN 80 2HB GLN 80 -8.655 2.413 -4.282 602 HG2 GLN 80 1HG GLN 80 -8.188 5.379 -4.127 603 HG3 GLN 80 2HG GLN 80 -8.960 4.479 -5.432 604 HE21 GLN 80 1HE2 GLN 80 -9.577 6.468 -2.957 605 HE22 GLN 80 2HE2 GLN 80 -11.184 5.979 -2.553 606 HA PRO 81 HA PRO 81 -7.380 -0.503 -0.397 607 HB2 PRO 81 1HB PRO 81 -9.714 -1.885 -0.513 608 HB3 PRO 81 2HB PRO 81 -9.378 -0.670 0.726 609 HG2 PRO 81 1HG PRO 81 -10.968 -0.412 -1.796 610 HG3 PRO 81 2HG PRO 81 -11.337 0.201 -0.174 611 HD2 PRO 81 1HD PRO 81 -10.317 1.773 -2.128 612 HD3 PRO 81 2HD PRO 81 -9.947 2.024 -0.409 613 HA PRO 82 HA PRO 82 -6.467 -2.894 -3.991 614 HB2 PRO 82 1HB PRO 82 -5.791 -5.233 -2.792 615 HB3 PRO 82 2HB PRO 82 -4.750 -3.805 -2.766 616 HG2 PRO 82 1HG PRO 82 -6.618 -4.826 -0.662 617 HG3 PRO 82 2HG PRO 82 -4.975 -4.184 -0.483 618 HD2 PRO 82 1HD PRO 82 -7.182 -2.705 0.040 619 HD3 PRO 82 2HD PRO 82 -5.684 -1.993 -0.593 620 H LEU 83 H LEU 83 -6.819 -5.525 -4.439 621 HA LEU 83 HA LEU 83 -9.736 -5.766 -4.519 622 HB2 LEU 83 1HB LEU 83 -7.515 -7.014 -6.108 623 HB3 LEU 83 2HB LEU 83 -9.165 -7.631 -6.173 624 HG LEU 83 HG LEU 83 -9.785 -5.199 -6.829 625 HD11 LEU 83 1HD1 LEU 83 -7.347 -4.503 -6.296 626 HD12 LEU 83 2HD1 LEU 83 -8.147 -3.830 -7.716 627 HD13 LEU 83 3HD1 LEU 83 -6.993 -5.151 -7.898 628 HD21 LEU 83 1HD2 LEU 83 -9.724 -5.800 -9.076 629 HD22 LEU 83 2HD2 LEU 83 -9.731 -7.352 -8.237 630 HD23 LEU 83 3HD2 LEU 83 -8.224 -6.710 -8.894 631 H SER 84 H SER 84 -10.607 -8.038 -4.380 632 HA SER 84 HA SER 84 -9.761 -9.187 -1.890 633 HB2 SER 84 1HB SER 84 -12.012 -9.612 -3.795 634 HB3 SER 84 2HB SER 84 -11.602 -10.941 -2.711 635 HG SER 84 HG SER 84 -12.820 -8.556 -2.168 636 HA PRO 85 HA PRO 85 -7.166 -12.449 -3.256 637 HB2 PRO 85 1HB PRO 85 -7.886 -14.484 -1.609 638 HB3 PRO 85 2HB PRO 85 -6.968 -13.079 -1.055 639 HG2 PRO 85 1HG PRO 85 -9.898 -13.642 -0.816 640 HG3 PRO 85 2HG PRO 85 -8.786 -12.972 0.392 641 HD2 PRO 85 1HD PRO 85 -10.469 -11.422 -1.057 642 HD3 PRO 85 2HD PRO 85 -8.876 -10.855 -0.516 643 H LEU 86 H LEU 86 -10.424 -12.480 -3.858 644 HA LEU 86 HA LEU 86 -10.558 -15.171 -4.946 645 HB2 LEU 86 1HB LEU 86 -12.857 -14.688 -5.425 646 HB3 LEU 86 2HB LEU 86 -12.488 -14.171 -3.781 647 HG LEU 86 HG LEU 86 -12.138 -11.837 -4.997 648 HD11 LEU 86 1HD1 LEU 86 -12.539 -12.650 -7.239 649 HD12 LEU 86 2HD1 LEU 86 -13.828 -11.547 -6.760 650 HD13 LEU 86 3HD1 LEU 86 -14.111 -13.287 -6.755 651 HD21 LEU 86 1HD2 LEU 86 -14.636 -11.453 -4.579 652 HD22 LEU 86 2HD2 LEU 86 -13.646 -11.981 -3.218 653 HD23 LEU 86 3HD2 LEU 86 -14.675 -13.139 -4.063 654 H GLU 87 H GLU 87 -10.267 -11.856 -6.055 655 HA GLU 87 HA GLU 87 -10.779 -12.277 -8.783 656 HB2 GLU 87 1HB GLU 87 -9.085 -10.224 -7.361 657 HB3 GLU 87 2HB GLU 87 -9.378 -10.191 -9.095 658 HG2 GLU 87 1HG GLU 87 -11.716 -10.332 -7.269 659 HG3 GLU 87 2HG GLU 87 -10.851 -8.803 -7.419 660 H LEU 88 H LEU 88 -7.643 -12.037 -7.100 661 HA LEU 88 HA LEU 88 -6.288 -13.149 -9.417 662 HB2 LEU 88 1HB LEU 88 -4.272 -12.554 -8.372 663 HB3 LEU 88 2HB LEU 88 -5.394 -11.239 -8.030 664 HG LEU 88 HG LEU 88 -4.980 -13.423 -6.025 665 HD11 LEU 88 1HD1 LEU 88 -3.187 -12.133 -5.006 666 HD12 LEU 88 2HD1 LEU 88 -3.241 -10.979 -6.338 667 HD13 LEU 88 3HD1 LEU 88 -2.742 -12.644 -6.635 668 HD21 LEU 88 1HD2 LEU 88 -5.291 -11.192 -4.620 669 HD22 LEU 88 2HD2 LEU 88 -6.664 -12.108 -5.243 670 HD23 LEU 88 3HD2 LEU 88 -6.096 -10.675 -6.102 671 H MET 89 H MET 89 -8.174 -14.756 -7.768 672 HA MET 89 HA MET 89 -7.039 -16.554 -6.055 673 HB2 MET 89 1HB MET 89 -9.394 -16.634 -6.536 674 HB3 MET 89 2HB MET 89 -9.088 -17.053 -8.217 675 HG2 MET 89 1HG MET 89 -8.038 -19.173 -7.403 676 HG3 MET 89 2HG MET 89 -8.611 -18.757 -5.789 677 HE1 MET 89 1HE MET 89 -10.881 -18.050 -5.316 678 HE2 MET 89 2HE MET 89 -11.951 -17.669 -6.664 679 HE3 MET 89 3HE MET 89 -12.218 -19.130 -5.711 680 H GLU 90 H GLU 90 -5.613 -18.187 -6.158 681 HA GLU 90 HA GLU 90 -4.193 -18.599 -8.651 682 HB2 GLU 90 1HB GLU 90 -3.247 -18.413 -6.188 683 HB3 GLU 90 2HB GLU 90 -3.566 -20.141 -6.173 684 HG2 GLU 90 1HG GLU 90 -1.989 -20.585 -7.795 685 HG3 GLU 90 2HG GLU 90 -2.016 -18.937 -8.419 686 H ALA 91 H ALA 91 -3.649 -20.802 -9.379 687 HA ALA 91 HA ALA 91 -6.042 -22.465 -9.363 688 HB1 ALA 91 1HB ALA 91 -5.495 -22.598 -11.516 689 HB2 ALA 91 2HB ALA 91 -3.880 -21.954 -11.222 690 HB3 ALA 91 3HB ALA 91 -4.190 -23.679 -11.025 691 H SER 92 H SER 92 -2.577 -22.741 -8.654 692 HA SER 92 HA SER 92 -3.175 -25.194 -7.135 693 HB2 SER 92 1HB SER 92 -1.886 -25.772 -9.119 694 HB3 SER 92 2HB SER 92 -0.677 -24.551 -8.721 695 HG SER 92 HG SER 92 -1.312 -26.851 -7.182 696 H GLU 93 H GLU 93 -3.188 -24.557 -5.067 697 HA GLU 93 HA GLU 93 -1.452 -22.480 -4.092 698 HB2 GLU 93 1HB GLU 93 -2.560 -22.747 -1.998 699 HB3 GLU 93 2HB GLU 93 -3.785 -22.895 -3.250 700 HG2 GLU 93 1HG GLU 93 -4.298 -24.589 -1.748 701 HG3 GLU 93 2HG GLU 93 -3.438 -25.415 -3.046 702 H HIS 94 H HIS 94 -0.034 -22.801 -2.205 703 HA HIS 94 HA HIS 94 1.138 -25.487 -2.050 704 HB2 HIS 94 1HB HIS 94 2.815 -22.984 -2.260 705 HB3 HIS 94 2HB HIS 94 3.376 -24.654 -2.268 706 HD1 HIS 94 1HD HIS 94 1.615 -25.890 -4.399 707 HD2 HIS 94 2HD HIS 94 3.339 -22.128 -4.775 708 HE1 HIS 94 1HE HIS 94 1.712 -25.439 -6.871 709 HE2 HIS 94 2HE HIS 94 2.837 -23.194 -7.077 710 H GLY 95 H GLY 95 2.175 -25.982 -0.089 711 HA2 GLY 95 1HA GLY 95 1.094 -24.606 2.183 712 HA3 GLY 95 2HA GLY 95 2.173 -25.993 2.220 713 H GLY 96 H GLY 96 2.372 -23.832 4.000 714 HA2 GLY 96 1HA GLY 96 5.130 -23.132 3.584 715 HA3 GLY 96 2HA GLY 96 4.048 -21.755 3.433 716 H CYS 97 H CYS 97 3.935 -20.592 5.222 717 HA CYS 97 HA CYS 97 4.840 -21.555 7.738 718 HB2 CYS 97 1HB CYS 97 4.753 -19.117 6.764 719 HB3 CYS 97 2HB CYS 97 3.149 -19.096 7.487 720 HG CYS 97 HG CYS 97 4.051 -19.568 10.082 721 H SER 98 H SER 98 3.737 -22.252 9.502 722 HA SER 98 HA SER 98 0.915 -22.904 9.089 723 HB2 SER 98 1HB SER 98 3.083 -23.986 10.850 724 HB3 SER 98 2HB SER 98 1.399 -24.224 11.314 725 HG SER 98 HG SER 98 1.549 -25.871 10.008 726 H THR 99 H THR 99 -0.679 -21.910 10.140 727 HA THR 99 HA THR 99 -1.808 -20.557 11.584 728 HB THR 99 HB THR 99 0.581 -20.937 13.399 729 HG1 THR 99 1HG THR 99 -0.752 -22.841 12.663 730 HG21 THR 99 1HG2 THR 99 -1.781 -20.582 14.871 731 HG22 THR 99 2HG2 THR 99 -1.793 -19.328 13.632 732 HG23 THR 99 3HG2 THR 99 -0.425 -19.464 14.736 733 HA PRO 100 HA PRO 100 1.322 -17.161 10.378 734 HB2 PRO 100 1HB PRO 100 0.285 -16.504 7.957 735 HB3 PRO 100 2HB PRO 100 1.557 -17.714 8.160 736 HG2 PRO 100 1HG PRO 100 -1.390 -18.104 7.810 737 HG3 PRO 100 2HG PRO 100 -0.048 -18.993 7.066 738 HD2 PRO 100 1HD PRO 100 -1.433 -19.951 9.186 739 HD3 PRO 100 2HD PRO 100 0.290 -20.296 8.937 740 H GLY 101 H GLY 101 -2.152 -17.403 9.628 741 HA2 GLY 101 1HA GLY 101 -3.356 -15.805 11.313 742 HA3 GLY 101 2HA GLY 101 -2.493 -14.590 10.381 743 H SER 102 H SER 102 -4.922 -17.139 10.195 744 HA SER 102 HA SER 102 -5.717 -16.828 7.552 745 HB2 SER 102 1HB SER 102 -7.914 -17.741 8.304 746 HB3 SER 102 2HB SER 102 -6.538 -18.668 8.900 747 HG SER 102 HG SER 102 -8.074 -16.758 10.329 748 H GLY 103 H GLY 103 -6.992 -15.199 10.452 749 HA2 GLY 103 1HA GLY 103 -7.265 -12.689 9.894 750 HA3 GLY 103 2HA GLY 103 -8.394 -13.302 8.694 751 HA PRO 104 HA PRO 104 -10.205 -14.085 13.147 752 HB2 PRO 104 1HB PRO 104 -9.251 -12.388 15.039 753 HB3 PRO 104 2HB PRO 104 -8.538 -13.974 14.724 754 HG2 PRO 104 1HG PRO 104 -7.646 -11.276 13.783 755 HG3 PRO 104 2HG PRO 104 -6.674 -12.621 14.407 756 HD2 PRO 104 1HD PRO 104 -6.903 -12.092 11.761 757 HD3 PRO 104 2HD PRO 104 -6.701 -13.740 12.391 758 H SER 105 H SER 105 -12.180 -13.245 13.006 759 HA SER 105 HA SER 105 -12.470 -10.315 12.967 760 HB2 SER 105 1HB SER 105 -14.224 -10.451 11.343 761 HB3 SER 105 2HB SER 105 -12.872 -11.392 10.714 762 HG SER 105 HG SER 105 -14.692 -12.626 10.462 763 H SER 106 H SER 106 -14.538 -9.532 13.766 764 HA SER 106 HA SER 106 -15.875 -11.417 15.589 765 HB2 SER 106 1HB SER 106 -14.803 -8.667 16.179 766 HB3 SER 106 2HB SER 106 -16.122 -9.351 17.129 767 HG SER 106 HG SER 106 -14.643 -10.379 18.189 768 H GLY 107 H GLY 107 -18.031 -10.610 16.330 769 HA2 GLY 107 1HA GLY 107 -19.608 -8.646 15.561 770 HA3 GLY 107 2HA GLY 107 -19.440 -9.484 14.026 Start of MODEL 13 1 H1 GLY 1 H GLY 1 7.803 2.991 14.721 2 HA2 GLY 1 1HA GLY 1 10.081 4.498 13.606 3 HA3 GLY 1 2HA GLY 1 10.213 3.694 15.163 4 H SER 2 H SER 2 11.993 3.100 13.179 5 HA SER 2 HA SER 2 11.306 0.307 12.627 6 HB2 SER 2 1HB SER 2 12.238 0.473 10.344 7 HB3 SER 2 2HB SER 2 10.823 1.507 10.548 8 HG SER 2 HG SER 2 13.327 2.620 11.065 9 H SER 3 H SER 3 13.227 -1.000 12.060 10 HA SER 3 HA SER 3 15.334 -0.512 13.895 11 HB2 SER 3 1HB SER 3 16.216 -2.600 13.214 12 HB3 SER 3 2HB SER 3 14.469 -2.776 13.055 13 HG SER 3 HG SER 3 16.025 -3.402 11.227 14 H GLY 4 H GLY 4 17.690 -0.685 13.167 15 HA2 GLY 4 1HA GLY 4 18.168 0.771 10.660 16 HA3 GLY 4 2HA GLY 4 18.785 1.446 12.161 17 H SER 5 H SER 5 19.784 -0.080 9.538 18 HA SER 5 HA SER 5 21.671 -1.844 10.945 19 HB2 SER 5 1HB SER 5 21.923 -3.081 8.940 20 HB3 SER 5 2HB SER 5 20.194 -2.758 9.066 21 HG SER 5 HG SER 5 22.030 -1.863 7.218 22 H SER 6 H SER 6 23.899 -1.867 10.196 23 HA SER 6 HA SER 6 24.774 0.614 8.896 24 HB2 SER 6 1HB SER 6 24.896 0.588 11.519 25 HB3 SER 6 2HB SER 6 26.317 -0.422 11.249 26 HG SER 6 HG SER 6 26.556 1.996 11.361 27 H GLY 7 H GLY 7 27.021 0.516 8.123 28 HA2 GLY 7 1HA GLY 7 28.983 -0.891 7.712 29 HA3 GLY 7 2HA GLY 7 27.887 -2.260 7.599 30 H VAL 8 H VAL 8 26.172 -2.010 5.834 31 HA VAL 8 HA VAL 8 27.436 -0.833 3.444 32 HB VAL 8 HB VAL 8 27.494 -3.287 3.385 33 HG11 VAL 8 1HG1 VAL 8 25.389 -4.554 3.196 34 HG12 VAL 8 2HG1 VAL 8 25.567 -3.775 4.769 35 HG13 VAL 8 3HG1 VAL 8 24.490 -3.081 3.557 36 HG21 VAL 8 1HG2 VAL 8 26.072 -1.625 1.433 37 HG22 VAL 8 2HG2 VAL 8 27.430 -2.728 1.210 38 HG23 VAL 8 3HG2 VAL 8 25.783 -3.357 1.268 39 H LYS 9 H LYS 9 26.176 0.318 2.045 40 HA LYS 9 HA LYS 9 23.466 0.944 2.981 41 HB2 LYS 9 1HB LYS 9 23.669 3.046 1.967 42 HB3 LYS 9 2HB LYS 9 25.266 2.747 2.641 43 HG2 LYS 9 1HG LYS 9 26.175 2.249 0.521 44 HG3 LYS 9 2HG LYS 9 24.576 2.141 -0.219 45 HD2 LYS 9 1HD LYS 9 25.218 4.237 -0.903 46 HD3 LYS 9 2HD LYS 9 24.381 4.630 0.601 47 HE2 LYS 9 1HE LYS 9 27.291 4.033 0.727 48 HE3 LYS 9 2HE LYS 9 26.791 5.580 0.045 49 HZ1 LYS 9 1HZ LYS 9 27.222 5.671 2.451 50 HZ2 LYS 9 2HZ LYS 9 25.962 4.574 2.712 51 HZ3 LYS 9 3HZ LYS 9 25.632 6.100 2.062 52 HA PRO 10 HA PRO 10 21.639 -1.129 -0.446 53 HB2 PRO 10 1HB PRO 10 19.284 0.218 -0.561 54 HB3 PRO 10 2HB PRO 10 19.655 -0.962 0.702 55 HG2 PRO 10 1HG PRO 10 19.810 2.026 0.796 56 HG3 PRO 10 2HG PRO 10 19.181 0.900 2.013 57 HD2 PRO 10 1HD PRO 10 21.644 2.010 2.191 58 HD3 PRO 10 2HD PRO 10 21.283 0.383 2.804 59 HA PRO 11 HA PRO 11 22.178 1.157 -4.163 60 HB2 PRO 11 1HB PRO 11 20.157 0.251 -5.733 61 HB3 PRO 11 2HB PRO 11 21.565 -0.733 -5.317 62 HG2 PRO 11 1HG PRO 11 18.826 -0.740 -4.110 63 HG3 PRO 11 2HG PRO 11 19.862 -2.113 -4.540 64 HD2 PRO 11 1HD PRO 11 19.624 -1.208 -1.999 65 HD3 PRO 11 2HD PRO 11 21.125 -1.923 -2.622 66 H HIS 12 H HIS 12 18.745 1.054 -3.205 67 HA HIS 12 HA HIS 12 18.565 3.914 -3.885 68 HB2 HIS 12 1HB HIS 12 16.022 3.191 -4.258 69 HB3 HIS 12 2HB HIS 12 17.213 3.127 -5.553 70 HD1 HIS 12 1HD HIS 12 15.427 0.880 -3.104 71 HD2 HIS 12 2HD HIS 12 17.708 0.619 -6.567 72 HE1 HIS 12 1HE HIS 12 15.272 -1.522 -3.833 73 HE2 HIS 12 2HE HIS 12 16.729 -1.675 -5.882 74 H GLY 13 H GLY 13 17.286 1.262 -1.916 75 HA2 GLY 13 1HA GLY 13 17.245 1.822 0.527 76 HA3 GLY 13 2HA GLY 13 16.388 3.280 0.048 77 H PHE 14 H PHE 14 15.798 0.197 -1.480 78 HA PHE 14 HA PHE 14 13.202 0.060 -0.093 79 HB2 PHE 14 1HB PHE 14 13.867 -0.370 -2.999 80 HB3 PHE 14 2HB PHE 14 12.403 -1.032 -2.280 81 HD1 PHE 14 1HD PHE 14 14.178 2.244 -2.040 82 HD2 PHE 14 2HD PHE 14 10.551 0.176 -2.866 83 HE1 PHE 14 1HE PHE 14 13.037 4.395 -2.396 84 HE2 PHE 14 2HE PHE 14 9.405 2.323 -3.225 85 HZ PHE 14 HZ PHE 14 10.648 4.436 -2.991 86 H GLN 15 H GLN 15 12.197 -2.183 -0.307 87 HA GLN 15 HA GLN 15 14.207 -4.311 -0.310 88 HB2 GLN 15 1HB GLN 15 12.225 -3.863 1.928 89 HB3 GLN 15 2HB GLN 15 13.308 -5.241 1.783 90 HG2 GLN 15 1HG GLN 15 15.182 -3.993 2.291 91 HG3 GLN 15 2HG GLN 15 14.416 -2.471 1.839 92 HE21 GLN 15 1HE2 GLN 15 15.249 -4.512 4.366 93 HE22 GLN 15 2HE2 GLN 15 14.349 -3.745 5.625 94 H LYS 16 H LYS 16 13.172 -6.500 -0.243 95 HA LYS 16 HA LYS 16 10.854 -6.490 -2.016 96 HB2 LYS 16 1HB LYS 16 12.961 -8.501 -1.310 97 HB3 LYS 16 2HB LYS 16 11.443 -9.044 -2.014 98 HG2 LYS 16 1HG LYS 16 11.847 -7.980 -4.031 99 HG3 LYS 16 2HG LYS 16 13.025 -6.872 -3.324 100 HD2 LYS 16 1HD LYS 16 13.483 -9.841 -3.501 101 HD3 LYS 16 2HD LYS 16 13.957 -8.724 -4.782 102 HE2 LYS 16 1HE LYS 16 14.808 -8.101 -2.005 103 HE3 LYS 16 2HE LYS 16 15.617 -9.430 -2.835 104 HZ1 LYS 16 1HZ LYS 16 16.010 -6.661 -3.151 105 HZ2 LYS 16 2HZ LYS 16 15.477 -7.305 -4.622 106 HZ3 LYS 16 3HZ LYS 16 16.856 -7.937 -3.872 107 H LYS 17 H LYS 17 9.063 -7.937 -1.660 108 HA LYS 17 HA LYS 17 7.376 -8.834 -0.426 109 HB2 LYS 17 1HB LYS 17 9.340 -9.359 1.791 110 HB3 LYS 17 2HB LYS 17 7.904 -10.278 1.359 111 HG2 LYS 17 1HG LYS 17 9.043 -10.930 -0.759 112 HG3 LYS 17 2HG LYS 17 10.503 -10.146 -0.151 113 HD2 LYS 17 1HD LYS 17 10.636 -11.666 1.689 114 HD3 LYS 17 2HD LYS 17 9.047 -12.340 1.318 115 HE2 LYS 17 1HE LYS 17 11.315 -12.456 -0.646 116 HE3 LYS 17 2HE LYS 17 11.111 -13.679 0.607 117 HZ1 LYS 17 1HZ LYS 17 9.083 -14.361 -0.293 118 HZ2 LYS 17 2HZ LYS 17 10.077 -14.143 -1.644 119 HZ3 LYS 17 3HZ LYS 17 8.919 -12.974 -1.249 120 H MET 18 H MET 18 8.194 -6.002 -0.146 121 HA MET 18 HA MET 18 7.089 -5.465 2.532 122 HB2 MET 18 1HB MET 18 8.358 -3.523 2.684 123 HB3 MET 18 2HB MET 18 9.456 -4.631 1.873 124 HG2 MET 18 1HG MET 18 9.024 -3.621 -0.245 125 HG3 MET 18 2HG MET 18 7.731 -2.635 0.434 126 HE1 MET 18 1HE MET 18 9.433 0.340 0.029 127 HE2 MET 18 2HE MET 18 10.433 -0.663 -1.021 128 HE3 MET 18 3HE MET 18 8.700 -0.971 -0.896 129 H LYS 19 H LYS 19 5.965 -3.230 2.582 130 HA LYS 19 HA LYS 19 4.124 -3.121 0.286 131 HB2 LYS 19 1HB LYS 19 3.716 -2.443 3.198 132 HB3 LYS 19 2HB LYS 19 2.565 -2.001 1.944 133 HG2 LYS 19 1HG LYS 19 3.412 -4.799 2.667 134 HG3 LYS 19 2HG LYS 19 1.877 -4.030 3.078 135 HD2 LYS 19 1HD LYS 19 1.510 -3.732 0.594 136 HD3 LYS 19 2HD LYS 19 2.899 -4.793 0.350 137 HE2 LYS 19 1HE LYS 19 0.686 -5.677 2.144 138 HE3 LYS 19 2HE LYS 19 0.457 -5.757 0.398 139 HZ1 LYS 19 1HZ LYS 19 2.089 -7.396 2.112 140 HZ2 LYS 19 2HZ LYS 19 2.895 -6.862 0.725 141 HZ3 LYS 19 3HZ LYS 19 1.452 -7.732 0.581 142 H LEU 20 H LEU 20 3.537 -1.133 -0.591 143 HA LEU 20 HA LEU 20 4.508 1.344 0.453 144 HB2 LEU 20 1HB LEU 20 6.271 1.808 -0.891 145 HB3 LEU 20 2HB LEU 20 6.449 0.056 -0.807 146 HG LEU 20 HG LEU 20 4.927 0.209 -2.996 147 HD11 LEU 20 1HD1 LEU 20 6.262 2.872 -2.731 148 HD12 LEU 20 2HD1 LEU 20 4.621 2.490 -3.252 149 HD13 LEU 20 3HD1 LEU 20 5.985 2.159 -4.320 150 HD21 LEU 20 1HD2 LEU 20 7.393 0.616 -4.095 151 HD22 LEU 20 2HD2 LEU 20 6.794 -0.926 -3.485 152 HD23 LEU 20 3HD2 LEU 20 7.800 0.098 -2.459 153 H GLU 21 H GLU 21 3.456 3.079 -0.427 154 HA GLU 21 HA GLU 21 1.203 2.478 -2.127 155 HB2 GLU 21 1HB GLU 21 2.135 5.065 -0.874 156 HB3 GLU 21 2HB GLU 21 0.645 4.886 -1.790 157 HG2 GLU 21 1HG GLU 21 -0.137 3.229 -0.151 158 HG3 GLU 21 2HG GLU 21 1.336 3.484 0.782 159 H VAL 22 H VAL 22 1.342 2.455 -4.262 160 HA VAL 22 HA VAL 22 3.344 4.170 -5.574 161 HB VAL 22 HB VAL 22 2.011 1.668 -6.620 162 HG11 VAL 22 1HG1 VAL 22 2.498 2.580 -8.611 163 HG12 VAL 22 2HG1 VAL 22 3.585 3.779 -7.907 164 HG13 VAL 22 3HG1 VAL 22 4.162 2.142 -8.224 165 HG21 VAL 22 1HG2 VAL 22 4.927 2.004 -6.005 166 HG22 VAL 22 2HG2 VAL 22 3.782 1.496 -4.764 167 HG23 VAL 22 3HG2 VAL 22 4.002 0.517 -6.214 168 H VAL 23 H VAL 23 2.754 5.577 -7.159 169 HA VAL 23 HA VAL 23 -0.032 6.299 -7.300 170 HB VAL 23 HB VAL 23 2.378 7.457 -8.707 171 HG11 VAL 23 1HG1 VAL 23 0.024 9.151 -8.459 172 HG12 VAL 23 2HG1 VAL 23 1.056 8.842 -9.857 173 HG13 VAL 23 3HG1 VAL 23 -0.255 7.729 -9.465 174 HG21 VAL 23 1HG2 VAL 23 2.411 9.124 -7.059 175 HG22 VAL 23 2HG2 VAL 23 0.806 8.697 -6.468 176 HG23 VAL 23 3HG2 VAL 23 2.172 7.624 -6.164 177 H ASP 24 H ASP 24 -1.406 5.328 -8.625 178 HA ASP 24 HA ASP 24 -0.785 3.553 -10.654 179 HB2 ASP 24 1HB ASP 24 -3.066 4.165 -9.479 180 HB3 ASP 24 2HB ASP 24 -3.265 5.209 -10.883 181 H LYS 25 H LYS 25 0.281 3.879 -12.479 182 HA LYS 25 HA LYS 25 0.984 6.301 -13.591 183 HB2 LYS 25 1HB LYS 25 0.521 3.924 -15.358 184 HB3 LYS 25 2HB LYS 25 1.819 5.110 -15.412 185 HG2 LYS 25 1HG LYS 25 1.473 2.822 -13.501 186 HG3 LYS 25 2HG LYS 25 2.787 3.109 -14.643 187 HD2 LYS 25 1HD LYS 25 2.203 5.028 -12.410 188 HD3 LYS 25 2HD LYS 25 3.216 3.604 -12.160 189 HE2 LYS 25 1HE LYS 25 4.891 4.391 -13.526 190 HE3 LYS 25 2HE LYS 25 3.795 5.405 -14.464 191 HZ1 LYS 25 1HZ LYS 25 3.936 7.093 -12.981 192 HZ2 LYS 25 2HZ LYS 25 5.453 6.403 -12.691 193 HZ3 LYS 25 3HZ LYS 25 4.163 6.077 -11.646 194 H ARG 26 H ARG 26 -1.579 4.132 -14.805 195 HA ARG 26 HA ARG 26 -2.601 5.848 -16.741 196 HB2 ARG 26 1HB ARG 26 -4.731 4.523 -16.464 197 HB3 ARG 26 2HB ARG 26 -3.284 3.570 -16.765 198 HG2 ARG 26 1HG ARG 26 -3.235 3.493 -14.118 199 HG3 ARG 26 2HG ARG 26 -4.967 3.756 -14.333 200 HD2 ARG 26 1HD ARG 26 -3.352 1.555 -15.618 201 HD3 ARG 26 2HD ARG 26 -4.392 1.368 -14.207 202 HE ARG 26 HE ARG 26 -6.011 2.428 -16.144 203 HH11 ARG 26 2HH1 ARG 26 -4.009 -0.405 -15.847 204 HH12 ARG 26 1HH1 ARG 26 -4.996 -1.371 -16.893 205 HH21 ARG 26 2HH2 ARG 26 -7.318 1.165 -17.523 206 HH22 ARG 26 1HH2 ARG 26 -6.877 -0.477 -17.847 207 H ASN 27 H ASN 27 -3.117 5.771 -13.289 208 HA ASN 27 HA ASN 27 -4.744 8.207 -13.534 209 HB2 ASN 27 1HB ASN 27 -5.275 6.233 -11.336 210 HB3 ASN 27 2HB ASN 27 -6.332 7.484 -11.984 211 HD21 ASN 27 1HD2 ASN 27 -6.958 4.726 -11.569 212 HD22 ASN 27 2HD2 ASN 27 -7.354 4.056 -13.112 213 HA PRO 28 HA PRO 28 -1.187 9.195 -10.856 214 HB2 PRO 28 1HB PRO 28 -1.186 11.835 -11.489 215 HB3 PRO 28 2HB PRO 28 -0.410 10.606 -12.495 216 HG2 PRO 28 1HG PRO 28 -3.085 11.910 -12.822 217 HG3 PRO 28 2HG PRO 28 -1.859 11.549 -14.051 218 HD2 PRO 28 1HD PRO 28 -4.048 9.999 -13.678 219 HD3 PRO 28 2HD PRO 28 -2.489 9.337 -14.211 220 H MET 29 H MET 29 -4.466 9.917 -10.809 221 HA MET 29 HA MET 29 -4.242 11.584 -8.403 222 HB2 MET 29 1HB MET 29 -6.581 11.028 -10.233 223 HB3 MET 29 2HB MET 29 -6.699 11.961 -8.747 224 HG2 MET 29 1HG MET 29 -5.372 13.695 -9.599 225 HG3 MET 29 2HG MET 29 -4.792 12.704 -10.936 226 HE1 MET 29 1HE MET 29 -7.335 13.032 -13.647 227 HE2 MET 29 2HE MET 29 -5.627 12.944 -13.218 228 HE3 MET 29 3HE MET 29 -6.724 11.647 -12.742 229 H PHE 30 H PHE 30 -4.081 8.494 -8.898 230 HA PHE 30 HA PHE 30 -5.708 7.826 -6.548 231 HB2 PHE 30 1HB PHE 30 -5.666 6.397 -9.196 232 HB3 PHE 30 2HB PHE 30 -6.104 5.557 -7.712 233 HD1 PHE 30 1HD PHE 30 -8.164 6.073 -6.551 234 HD2 PHE 30 2HD PHE 30 -7.109 8.074 -10.156 235 HE1 PHE 30 1HE PHE 30 -10.475 6.889 -6.770 236 HE2 PHE 30 2HE PHE 30 -9.417 8.894 -10.380 237 HZ PHE 30 HZ PHE 30 -11.104 8.303 -8.686 238 H ILE 31 H ILE 31 -4.656 6.672 -5.050 239 HA ILE 31 HA ILE 31 -2.149 5.337 -5.828 240 HB ILE 31 HB ILE 31 -2.610 6.964 -3.325 241 HG12 ILE 31 1HG1 ILE 31 -0.472 7.456 -5.373 242 HG13 ILE 31 2HG1 ILE 31 -2.100 8.074 -5.635 243 HG21 ILE 31 1HG2 ILE 31 -0.016 6.449 -3.215 244 HG22 ILE 31 2HG2 ILE 31 -1.211 5.355 -2.519 245 HG23 ILE 31 3HG2 ILE 31 -0.515 5.008 -4.102 246 HD11 ILE 31 1HD1 ILE 31 -0.206 8.751 -3.407 247 HD12 ILE 31 2HD1 ILE 31 -0.847 9.817 -4.658 248 HD13 ILE 31 3HD1 ILE 31 -1.912 9.197 -3.397 249 H ARG 32 H ARG 32 -1.815 3.340 -5.007 250 HA ARG 32 HA ARG 32 -3.565 2.387 -2.857 251 HB2 ARG 32 1HB ARG 32 -3.196 1.090 -5.555 252 HB3 ARG 32 2HB ARG 32 -3.811 0.219 -4.156 253 HG2 ARG 32 1HG ARG 32 -5.498 2.258 -4.090 254 HG3 ARG 32 2HG ARG 32 -5.100 2.314 -5.809 255 HD2 ARG 32 1HD ARG 32 -5.862 0.099 -6.151 256 HD3 ARG 32 2HD ARG 32 -5.950 -0.213 -4.418 257 HE ARG 32 HE ARG 32 -7.999 0.825 -4.359 258 HH11 ARG 32 2HH1 ARG 32 -6.456 1.449 -7.417 259 HH12 ARG 32 1HH1 ARG 32 -7.869 2.148 -8.135 260 HH21 ARG 32 2HH2 ARG 32 -9.866 1.743 -5.294 261 HH22 ARG 32 1HH2 ARG 32 -9.808 2.316 -6.927 262 H VAL 33 H VAL 33 -2.818 0.254 -1.987 263 HA VAL 33 HA VAL 33 -0.077 0.393 -1.311 264 HB VAL 33 HB VAL 33 -2.028 -1.882 -0.928 265 HG11 VAL 33 1HG1 VAL 33 -0.075 -1.935 1.068 266 HG12 VAL 33 2HG1 VAL 33 -0.276 -3.078 -0.262 267 HG13 VAL 33 3HG1 VAL 33 0.805 -1.696 -0.441 268 HG21 VAL 33 1HG2 VAL 33 -2.971 -0.330 0.415 269 HG22 VAL 33 2HG2 VAL 33 -1.681 -0.813 1.517 270 HG23 VAL 33 3HG2 VAL 33 -1.496 0.632 0.522 271 H ALA 34 H ALA 34 1.664 -0.862 -1.915 272 HA ALA 34 HA ALA 34 1.264 -2.660 -4.213 273 HB1 ALA 34 1HB ALA 34 2.273 -0.285 -4.655 274 HB2 ALA 34 2HB ALA 34 3.749 -1.023 -4.030 275 HB3 ALA 34 3HB ALA 34 2.952 -1.709 -5.446 276 H THR 35 H THR 35 3.351 -3.981 -4.597 277 HA THR 35 HA THR 35 4.648 -4.686 -2.063 278 HB THR 35 HB THR 35 3.401 -6.716 -3.926 279 HG1 THR 35 1HG THR 35 1.976 -7.065 -2.179 280 HG21 THR 35 1HG2 THR 35 5.606 -7.108 -2.429 281 HG22 THR 35 2HG2 THR 35 4.415 -8.368 -2.751 282 HG23 THR 35 3HG2 THR 35 4.360 -7.469 -1.235 283 H VAL 36 H VAL 36 6.747 -4.409 -2.424 284 HA VAL 36 HA VAL 36 7.938 -4.416 -4.992 285 HB VAL 36 HB VAL 36 9.386 -4.741 -2.364 286 HG11 VAL 36 1HG1 VAL 36 10.204 -3.636 -5.047 287 HG12 VAL 36 2HG1 VAL 36 11.176 -3.512 -3.578 288 HG13 VAL 36 3HG1 VAL 36 10.810 -5.095 -4.264 289 HG21 VAL 36 1HG2 VAL 36 9.521 -2.286 -2.310 290 HG22 VAL 36 2HG2 VAL 36 8.449 -2.206 -3.708 291 HG23 VAL 36 3HG2 VAL 36 7.859 -2.862 -2.181 292 H ALA 37 H ALA 37 7.929 -6.244 -6.163 293 HA ALA 37 HA ALA 37 8.301 -8.836 -4.970 294 HB1 ALA 37 1HB ALA 37 7.081 -7.954 -7.252 295 HB2 ALA 37 2HB ALA 37 8.564 -8.676 -7.876 296 HB3 ALA 37 3HB ALA 37 7.466 -9.636 -6.885 297 H ASP 38 H ASP 38 10.206 -6.683 -7.045 298 HA ASP 38 HA ASP 38 12.640 -7.968 -6.105 299 HB2 ASP 38 1HB ASP 38 11.708 -9.009 -8.349 300 HB3 ASP 38 2HB ASP 38 12.435 -7.571 -9.060 301 H THR 39 H THR 39 14.415 -6.630 -6.115 302 HA THR 39 HA THR 39 13.901 -3.849 -6.943 303 HB THR 39 HB THR 39 15.497 -3.143 -5.233 304 HG1 THR 39 1HG THR 39 16.793 -5.052 -5.214 305 HG21 THR 39 1HG2 THR 39 13.338 -4.996 -4.223 306 HG22 THR 39 2HG2 THR 39 13.194 -3.267 -4.541 307 HG23 THR 39 3HG2 THR 39 14.208 -3.839 -3.216 308 H ASP 40 H ASP 40 14.969 -3.266 -8.706 309 HA ASP 40 HA ASP 40 17.340 -4.712 -9.546 310 HB2 ASP 40 1HB ASP 40 15.345 -3.808 -11.017 311 HB3 ASP 40 2HB ASP 40 16.295 -2.324 -11.012 312 H ASP 41 H ASP 41 18.954 -3.015 -10.749 313 HA ASP 41 HA ASP 41 20.605 -1.973 -8.854 314 HB2 ASP 41 1HB ASP 41 21.051 -2.210 -11.341 315 HB3 ASP 41 2HB ASP 41 20.234 -0.663 -11.549 316 H HIS 42 H HIS 42 18.380 0.037 -10.793 317 HA HIS 42 HA HIS 42 18.120 1.823 -8.468 318 HB2 HIS 42 1HB HIS 42 17.996 2.979 -11.217 319 HB3 HIS 42 2HB HIS 42 18.500 3.730 -9.706 320 HD1 HIS 42 1HD HIS 42 20.961 3.783 -9.217 321 HD2 HIS 42 2HD HIS 42 20.016 1.278 -12.394 322 HE1 HIS 42 1HE HIS 42 23.167 3.107 -10.220 323 HE2 HIS 42 2HE HIS 42 22.566 1.660 -12.192 324 H ARG 43 H ARG 43 16.423 -0.358 -9.498 325 HA ARG 43 HA ARG 43 13.947 1.185 -9.702 326 HB2 ARG 43 1HB ARG 43 14.592 -1.132 -11.533 327 HB3 ARG 43 2HB ARG 43 13.090 -0.220 -11.499 328 HG2 ARG 43 1HG ARG 43 14.571 1.821 -12.022 329 HG3 ARG 43 2HG ARG 43 15.783 0.625 -12.486 330 HD2 ARG 43 1HD ARG 43 13.032 0.329 -13.571 331 HD3 ARG 43 2HD ARG 43 14.047 1.613 -14.226 332 HE ARG 43 HE ARG 43 14.266 -1.155 -14.774 333 HH11 ARG 43 2HH1 ARG 43 16.192 1.697 -14.247 334 HH12 ARG 43 1HH1 ARG 43 17.524 1.132 -15.199 335 HH21 ARG 43 2HH2 ARG 43 16.013 -1.909 -16.031 336 HH22 ARG 43 1HH2 ARG 43 17.421 -0.919 -16.215 337 H VAL 44 H VAL 44 12.005 -0.331 -9.473 338 HA VAL 44 HA VAL 44 12.511 -2.772 -7.998 339 HB VAL 44 HB VAL 44 11.144 -2.056 -6.044 340 HG11 VAL 44 1HG1 VAL 44 13.740 -1.953 -6.276 341 HG12 VAL 44 2HG1 VAL 44 13.485 -0.209 -6.201 342 HG13 VAL 44 3HG1 VAL 44 12.951 -1.237 -4.871 343 HG21 VAL 44 1HG2 VAL 44 10.042 -0.130 -6.074 344 HG22 VAL 44 2HG2 VAL 44 11.565 0.751 -6.195 345 HG23 VAL 44 3HG2 VAL 44 10.723 0.239 -7.658 346 H LYS 45 H LYS 45 11.099 -4.182 -8.769 347 HA LYS 45 HA LYS 45 8.824 -3.442 -10.284 348 HB2 LYS 45 1HB LYS 45 10.219 -5.611 -10.389 349 HB3 LYS 45 2HB LYS 45 9.219 -6.158 -9.050 350 HG2 LYS 45 1HG LYS 45 7.282 -6.178 -10.346 351 HG3 LYS 45 2HG LYS 45 7.992 -5.145 -11.588 352 HD2 LYS 45 1HD LYS 45 9.668 -7.101 -11.902 353 HD3 LYS 45 2HD LYS 45 8.447 -8.058 -11.059 354 HE2 LYS 45 1HE LYS 45 6.812 -7.572 -12.730 355 HE3 LYS 45 2HE LYS 45 7.865 -6.382 -13.494 356 HZ1 LYS 45 1HZ LYS 45 9.393 -8.573 -13.582 357 HZ2 LYS 45 2HZ LYS 45 8.367 -8.089 -14.836 358 HZ3 LYS 45 3HZ LYS 45 7.857 -9.267 -13.734 359 H VAL 46 H VAL 46 7.114 -2.480 -9.395 360 HA VAL 46 HA VAL 46 6.221 -3.299 -6.727 361 HB VAL 46 HB VAL 46 4.685 -1.298 -6.941 362 HG11 VAL 46 1HG1 VAL 46 6.247 -0.316 -5.709 363 HG12 VAL 46 2HG1 VAL 46 7.436 -1.468 -6.320 364 HG13 VAL 46 3HG1 VAL 46 7.180 0.064 -7.156 365 HG21 VAL 46 1HG2 VAL 46 4.688 0.050 -8.745 366 HG22 VAL 46 2HG2 VAL 46 6.421 -0.138 -9.015 367 HG23 VAL 46 3HG2 VAL 46 5.302 -1.381 -9.574 368 H HIS 47 H HIS 47 4.694 -4.795 -6.605 369 HA HIS 47 HA HIS 47 2.803 -5.087 -8.836 370 HB2 HIS 47 1HB HIS 47 3.931 -7.138 -8.466 371 HB3 HIS 47 2HB HIS 47 3.759 -7.007 -6.718 372 HD1 HIS 47 1HD HIS 47 2.162 -8.412 -9.685 373 HD2 HIS 47 2HD HIS 47 1.028 -7.441 -5.808 374 HE1 HIS 47 1HE HIS 47 -0.005 -9.627 -9.294 375 HE2 HIS 47 2HE HIS 47 -0.715 -8.956 -6.973 376 H PHE 48 H PHE 48 0.681 -4.736 -8.565 377 HA PHE 48 HA PHE 48 -0.208 -3.684 -6.011 378 HB2 PHE 48 1HB PHE 48 -1.424 -3.799 -8.763 379 HB3 PHE 48 2HB PHE 48 -2.370 -3.311 -7.361 380 HD1 PHE 48 1HD PHE 48 1.014 -2.559 -8.753 381 HD2 PHE 48 2HD PHE 48 -2.614 -1.053 -7.112 382 HE1 PHE 48 1HE PHE 48 1.866 -0.263 -8.985 383 HE2 PHE 48 2HE PHE 48 -1.767 1.246 -7.343 384 HZ PHE 48 HZ PHE 48 0.475 1.643 -8.280 385 H ASP 49 H ASP 49 -1.454 -4.717 -4.581 386 HA ASP 49 HA ASP 49 -2.060 -7.500 -5.006 387 HB2 ASP 49 1HB ASP 49 -1.294 -6.351 -2.811 388 HB3 ASP 49 2HB ASP 49 -2.987 -5.896 -2.638 389 H GLY 50 H GLY 50 -4.055 -8.455 -5.208 390 HA2 GLY 50 1HA GLY 50 -6.372 -8.587 -5.398 391 HA3 GLY 50 2HA GLY 50 -6.472 -6.867 -5.051 392 H TRP 51 H TRP 51 -4.512 -6.204 -7.154 393 HA TRP 51 HA TRP 51 -6.338 -5.803 -9.277 394 HB2 TRP 51 1HB TRP 51 -3.336 -5.473 -9.135 395 HB3 TRP 51 2HB TRP 51 -4.310 -4.981 -10.518 396 HD1 TRP 51 HD TRP 51 -5.566 -4.389 -6.954 397 HE1 TRP 51 1HE TRP 51 -5.642 -1.853 -6.519 398 HE3 TRP 51 3HE TRP 51 -3.254 -2.765 -11.215 399 HZ2 TRP 51 2HZ TRP 51 -4.830 0.521 -7.812 400 HZ3 TRP 51 3HZ TRP 51 -2.944 -0.346 -11.539 401 HH2 TRP 51 HH TRP 51 -3.716 1.262 -9.872 402 H ASN 52 H ASN 52 -5.820 -6.435 -11.577 403 HA ASN 52 HA ASN 52 -5.632 -9.304 -11.706 404 HB2 ASN 52 1HB ASN 52 -6.395 -7.113 -13.551 405 HB3 ASN 52 2HB ASN 52 -5.745 -8.569 -14.300 406 HD21 ASN 52 1HD2 ASN 52 -8.264 -7.896 -14.878 407 HD22 ASN 52 2HD2 ASN 52 -9.383 -8.960 -14.102 408 H ASN 53 H ASN 53 -4.397 -9.941 -13.983 409 HA ASN 53 HA ASN 53 -1.605 -9.500 -13.327 410 HB2 ASN 53 1HB ASN 53 -3.041 -11.365 -15.207 411 HB3 ASN 53 2HB ASN 53 -1.289 -11.188 -15.245 412 HD21 ASN 53 1HD2 ASN 53 -1.664 -13.567 -14.766 413 HD22 ASN 53 2HD2 ASN 53 -1.685 -14.013 -13.097 414 H CYS 54 H CYS 54 -0.090 -9.334 -15.317 415 HA CYS 54 HA CYS 54 0.700 -8.138 -17.086 416 HB2 CYS 54 1HB CYS 54 -2.190 -8.335 -17.673 417 HB3 CYS 54 2HB CYS 54 -1.342 -7.024 -18.483 418 HG CYS 54 HG CYS 54 0.637 -8.859 -19.518 419 H TYR 55 H TYR 55 0.259 -6.947 -14.499 420 HA TYR 55 HA TYR 55 -0.129 -4.135 -15.294 421 HB2 TYR 55 1HB TYR 55 -0.780 -5.518 -12.692 422 HB3 TYR 55 2HB TYR 55 -0.696 -3.767 -12.844 423 HD1 TYR 55 2HD TYR 55 -2.509 -6.783 -13.971 424 HD2 TYR 55 1HD TYR 55 -2.478 -2.532 -13.816 425 HE1 TYR 55 2HE TYR 55 -4.847 -6.745 -14.733 426 HE2 TYR 55 1HE TYR 55 -4.817 -2.481 -14.576 427 HH TYR 55 HH TYR 55 -6.829 -4.176 -14.452 428 H ASP 56 H ASP 56 1.573 -6.250 -12.995 429 HA ASP 56 HA ASP 56 3.327 -4.678 -11.755 430 HB2 ASP 56 1HB ASP 56 5.103 -6.558 -12.415 431 HB3 ASP 56 2HB ASP 56 3.782 -6.871 -11.293 432 H TYR 57 H TYR 57 4.877 -3.244 -12.203 433 HA TYR 57 HA TYR 57 6.195 -3.298 -14.810 434 HB2 TYR 57 1HB TYR 57 5.856 -0.771 -14.947 435 HB3 TYR 57 2HB TYR 57 4.456 -1.776 -15.304 436 HD1 TYR 57 2HD TYR 57 6.052 0.046 -12.463 437 HD2 TYR 57 1HD TYR 57 2.441 -1.306 -14.261 438 HE1 TYR 57 2HE TYR 57 4.757 1.256 -10.758 439 HE2 TYR 57 1HE TYR 57 1.136 -0.099 -12.561 440 HH TYR 57 HH TYR 57 1.250 1.477 -10.929 441 H TRP 58 H TRP 58 8.213 -2.263 -14.859 442 HA TRP 58 HA TRP 58 9.534 -2.153 -12.302 443 HB2 TRP 58 1HB TRP 58 10.394 -2.038 -15.159 444 HB3 TRP 58 2HB TRP 58 11.490 -1.416 -13.929 445 HD1 TRP 58 HD TRP 58 10.477 -4.573 -15.582 446 HE1 TRP 58 1HE TRP 58 11.553 -6.590 -14.399 447 HE3 TRP 58 3HE TRP 58 12.135 -2.241 -11.346 448 HZ2 TRP 58 2HZ TRP 58 12.922 -7.122 -11.989 449 HZ3 TRP 58 3HZ TRP 58 13.318 -3.575 -9.651 450 HH2 TRP 58 HH TRP 58 13.702 -5.966 -9.967 451 H ILE 59 H ILE 59 9.159 -0.393 -11.095 452 HA ILE 59 HA ILE 59 9.254 2.243 -12.396 453 HB ILE 59 HB ILE 59 7.212 1.545 -11.018 454 HG12 ILE 59 1HG1 ILE 59 8.622 4.079 -10.162 455 HG13 ILE 59 2HG1 ILE 59 7.813 3.883 -11.713 456 HG21 ILE 59 1HG2 ILE 59 7.424 1.917 -8.586 457 HG22 ILE 59 2HG2 ILE 59 8.355 0.531 -9.150 458 HG23 ILE 59 3HG2 ILE 59 9.171 2.051 -8.783 459 HD11 ILE 59 1HD1 ILE 59 6.712 4.695 -9.252 460 HD12 ILE 59 2HD1 ILE 59 5.891 4.456 -10.795 461 HD13 ILE 59 3HD1 ILE 59 6.014 3.124 -9.647 462 H ASP 60 H ASP 60 10.752 3.725 -11.831 463 HA ASP 60 HA ASP 60 13.129 2.936 -10.583 464 HB2 ASP 60 1HB ASP 60 12.033 5.705 -11.108 465 HB3 ASP 60 2HB ASP 60 13.682 5.377 -10.581 466 H ALA 61 H ALA 61 13.671 2.723 -8.519 467 HA ALA 61 HA ALA 61 11.868 3.121 -6.407 468 HB1 ALA 61 1HB ALA 61 13.469 2.220 -5.048 469 HB2 ALA 61 2HB ALA 61 14.053 1.662 -6.616 470 HB3 ALA 61 3HB ALA 61 14.789 3.071 -5.851 471 H ASP 62 H ASP 62 14.005 5.290 -7.988 472 HA ASP 62 HA ASP 62 13.938 7.202 -5.775 473 HB2 ASP 62 1HB ASP 62 15.275 7.665 -8.431 474 HB3 ASP 62 2HB ASP 62 15.656 8.381 -6.867 475 H SER 63 H SER 63 11.840 6.354 -8.032 476 HA SER 63 HA SER 63 11.207 8.791 -9.344 477 HB2 SER 63 1HB SER 63 10.502 6.516 -10.128 478 HB3 SER 63 2HB SER 63 9.352 6.464 -8.792 479 HG SER 63 HG SER 63 9.328 8.027 -11.113 480 HA PRO 64 HA PRO 64 9.215 10.954 -6.053 481 HB2 PRO 64 1HB PRO 64 7.901 12.793 -7.556 482 HB3 PRO 64 2HB PRO 64 9.643 12.859 -7.264 483 HG2 PRO 64 1HG PRO 64 8.161 11.830 -9.653 484 HG3 PRO 64 2HG PRO 64 9.623 12.832 -9.589 485 HD2 PRO 64 1HD PRO 64 9.704 10.164 -10.045 486 HD3 PRO 64 2HD PRO 64 10.996 11.026 -9.183 487 H ASP 65 H ASP 65 7.627 9.135 -8.440 488 HA ASP 65 HA ASP 65 4.934 9.744 -7.619 489 HB2 ASP 65 1HB ASP 65 5.646 7.280 -9.165 490 HB3 ASP 65 2HB ASP 65 4.235 8.323 -9.316 491 H ILE 66 H ILE 66 7.367 7.351 -6.866 492 HA ILE 66 HA ILE 66 5.630 5.538 -5.518 493 HB ILE 66 HB ILE 66 8.620 5.898 -5.465 494 HG12 ILE 66 1HG1 ILE 66 6.808 3.763 -6.612 495 HG13 ILE 66 2HG1 ILE 66 7.689 4.981 -7.529 496 HG21 ILE 66 1HG2 ILE 66 7.974 3.384 -4.405 497 HG22 ILE 66 2HG2 ILE 66 8.722 4.745 -3.572 498 HG23 ILE 66 3HG2 ILE 66 6.969 4.551 -3.546 499 HD11 ILE 66 1HD1 ILE 66 9.456 3.454 -5.835 500 HD12 ILE 66 2HD1 ILE 66 8.533 2.418 -6.925 501 HD13 ILE 66 3HD1 ILE 66 9.515 3.731 -7.576 502 H HIS 67 H HIS 67 4.895 5.554 -3.486 503 HA HIS 67 HA HIS 67 6.090 7.447 -1.576 504 HB2 HIS 67 1HB HIS 67 3.138 6.936 -2.000 505 HB3 HIS 67 2HB HIS 67 3.817 7.920 -0.707 506 HD1 HIS 67 1HD HIS 67 5.494 9.929 -1.806 507 HD2 HIS 67 2HD HIS 67 2.329 8.463 -4.064 508 HE1 HIS 67 1HE HIS 67 5.038 11.687 -3.546 509 HE2 HIS 67 2HE HIS 67 3.065 10.816 -4.846 510 HA PRO 68 HA PRO 68 6.326 3.979 1.124 511 HB2 PRO 68 1HB PRO 68 6.483 5.292 3.495 512 HB3 PRO 68 2HB PRO 68 7.824 5.223 2.344 513 HG2 PRO 68 1HG PRO 68 5.833 7.411 2.803 514 HG3 PRO 68 2HG PRO 68 7.584 7.527 2.549 515 HD2 PRO 68 1HD PRO 68 5.791 8.005 0.577 516 HD3 PRO 68 2HD PRO 68 7.393 7.309 0.262 517 H VAL 69 H VAL 69 5.155 2.854 2.761 518 HA VAL 69 HA VAL 69 2.371 3.037 2.575 519 HB VAL 69 HB VAL 69 4.180 1.611 4.505 520 HG11 VAL 69 1HG1 VAL 69 1.336 2.195 4.822 521 HG12 VAL 69 2HG1 VAL 69 1.718 0.474 4.895 522 HG13 VAL 69 3HG1 VAL 69 2.511 1.601 5.996 523 HG21 VAL 69 1HG2 VAL 69 3.196 -0.376 3.389 524 HG22 VAL 69 2HG2 VAL 69 2.312 0.708 2.315 525 HG23 VAL 69 3HG2 VAL 69 4.075 0.683 2.287 526 H GLY 70 H GLY 70 1.379 4.896 3.156 527 HA2 GLY 70 1HA GLY 70 0.245 5.765 5.198 528 HA3 GLY 70 2HA GLY 70 1.847 5.852 5.914 529 H TRP 71 H TRP 71 1.709 6.666 2.605 530 HA TRP 71 HA TRP 71 2.511 9.357 3.147 531 HB2 TRP 71 1HB TRP 71 3.527 8.495 1.240 532 HB3 TRP 71 2HB TRP 71 2.043 7.739 0.668 533 HD1 TRP 71 HD TRP 71 4.114 10.821 0.270 534 HE1 TRP 71 1HE TRP 71 2.938 12.471 -1.317 535 HE3 TRP 71 3HE TRP 71 -0.476 8.582 0.027 536 HZ2 TRP 71 2HZ TRP 71 0.400 12.783 -2.513 537 HZ3 TRP 71 3HZ TRP 71 -2.223 9.620 -1.360 538 HH2 TRP 71 HH TRP 71 -1.792 11.677 -2.603 539 H CYS 72 H CYS 72 -0.493 7.802 2.672 540 HA CYS 72 HA CYS 72 -2.041 9.756 1.456 541 HB2 CYS 72 1HB CYS 72 -3.961 8.725 2.597 542 HB3 CYS 72 2HB CYS 72 -2.879 7.509 1.930 543 HG CYS 72 HG CYS 72 -2.398 6.261 4.130 544 H SER 73 H SER 73 -1.100 9.418 4.844 545 HA SER 73 HA SER 73 -2.652 11.671 5.709 546 HB2 SER 73 1HB SER 73 -2.129 9.818 7.243 547 HB3 SER 73 2HB SER 73 -0.411 10.197 7.115 548 HG SER 73 HG SER 73 -0.713 12.027 8.248 549 H LYS 74 H LYS 74 0.814 11.065 5.204 550 HA LYS 74 HA LYS 74 2.008 13.339 5.968 551 HB2 LYS 74 1HB LYS 74 2.408 11.766 3.433 552 HB3 LYS 74 2HB LYS 74 3.431 13.141 3.830 553 HG2 LYS 74 1HG LYS 74 4.094 12.043 5.914 554 HG3 LYS 74 2HG LYS 74 3.078 10.660 5.502 555 HD2 LYS 74 1HD LYS 74 5.152 9.950 4.779 556 HD3 LYS 74 2HD LYS 74 4.478 10.641 3.302 557 HE2 LYS 74 1HE LYS 74 6.635 11.518 3.387 558 HE3 LYS 74 2HE LYS 74 5.633 12.815 4.036 559 HZ1 LYS 74 1HZ LYS 74 7.238 10.877 5.614 560 HZ2 LYS 74 2HZ LYS 74 6.214 12.048 6.278 561 HZ3 LYS 74 3HZ LYS 74 7.578 12.521 5.396 562 H THR 75 H THR 75 0.638 13.023 2.686 563 HA THR 75 HA THR 75 0.678 15.894 2.340 564 HB THR 75 HB THR 75 -0.214 15.451 0.099 565 HG1 THR 75 1HG THR 75 -1.523 13.661 0.494 566 HG21 THR 75 1HG2 THR 75 2.201 15.300 0.442 567 HG22 THR 75 2HG2 THR 75 1.668 14.142 -0.776 568 HG23 THR 75 3HG2 THR 75 2.044 13.594 0.857 569 H GLY 76 H GLY 76 -1.771 13.338 2.622 570 HA2 GLY 76 1HA GLY 76 -3.757 13.858 3.958 571 HA3 GLY 76 2HA GLY 76 -3.745 15.453 3.221 572 H HIS 77 H HIS 77 -3.107 12.572 1.362 573 HA HIS 77 HA HIS 77 -5.597 13.051 -0.117 574 HB2 HIS 77 1HB HIS 77 -2.934 11.904 -0.849 575 HB3 HIS 77 2HB HIS 77 -4.355 11.404 -1.761 576 HD1 HIS 77 1HD HIS 77 -3.161 14.818 -0.551 577 HD2 HIS 77 2HD HIS 77 -4.432 12.891 -4.006 578 HE1 HIS 77 1HE HIS 77 -3.157 16.581 -2.345 579 HE2 HIS 77 2HE HIS 77 -4.011 15.411 -4.406 580 HA PRO 78 HA PRO 78 -7.395 9.337 1.412 581 HB2 PRO 78 1HB PRO 78 -9.164 8.858 -0.591 582 HB3 PRO 78 2HB PRO 78 -9.387 10.145 0.600 583 HG2 PRO 78 1HG PRO 78 -8.330 10.313 -2.195 584 HG3 PRO 78 2HG PRO 78 -9.465 11.390 -1.362 585 HD2 PRO 78 1HD PRO 78 -6.842 11.990 -1.662 586 HD3 PRO 78 2HD PRO 78 -7.784 12.508 -0.250 587 H LEU 79 H LEU 79 -6.941 7.211 1.314 588 HA LEU 79 HA LEU 79 -5.501 6.237 -1.051 589 HB2 LEU 79 1HB LEU 79 -4.418 6.134 1.203 590 HB3 LEU 79 2HB LEU 79 -5.663 4.982 1.683 591 HG LEU 79 HG LEU 79 -4.823 3.552 -0.273 592 HD11 LEU 79 1HD1 LEU 79 -2.672 3.933 -1.123 593 HD12 LEU 79 2HD1 LEU 79 -2.316 5.162 0.090 594 HD13 LEU 79 3HD1 LEU 79 -3.472 5.503 -1.197 595 HD21 LEU 79 1HD2 LEU 79 -4.458 3.127 2.164 596 HD22 LEU 79 2HD2 LEU 79 -2.921 3.980 2.024 597 HD23 LEU 79 3HD2 LEU 79 -3.193 2.495 1.111 598 H GLN 80 H GLN 80 -6.174 4.484 -2.196 599 HA GLN 80 HA GLN 80 -8.865 3.498 -1.582 600 HB2 GLN 80 1HB GLN 80 -7.271 3.252 -4.138 601 HB3 GLN 80 2HB GLN 80 -8.947 2.770 -3.912 602 HG2 GLN 80 1HG GLN 80 -7.833 5.562 -3.838 603 HG3 GLN 80 2HG GLN 80 -8.888 4.862 -5.065 604 HE21 GLN 80 1HE2 GLN 80 -8.740 6.632 -2.223 605 HE22 GLN 80 2HE2 GLN 80 -10.418 6.606 -1.814 606 HA PRO 81 HA PRO 81 -7.143 -0.353 -0.246 607 HB2 PRO 81 1HB PRO 81 -9.467 -1.755 -0.178 608 HB3 PRO 81 2HB PRO 81 -9.029 -0.560 1.049 609 HG2 PRO 81 1HG PRO 81 -10.843 -0.270 -1.315 610 HG3 PRO 81 2HG PRO 81 -11.068 0.309 0.346 611 HD2 PRO 81 1HD PRO 81 -10.240 1.927 -1.662 612 HD3 PRO 81 2HD PRO 81 -9.719 2.149 0.021 613 HA PRO 82 HA PRO 82 -6.540 -2.684 -3.942 614 HB2 PRO 82 1HB PRO 82 -5.782 -5.051 -2.850 615 HB3 PRO 82 2HB PRO 82 -4.735 -3.627 -2.878 616 HG2 PRO 82 1HG PRO 82 -6.434 -4.685 -0.652 617 HG3 PRO 82 2HG PRO 82 -4.778 -4.053 -0.593 618 HD2 PRO 82 1HD PRO 82 -6.928 -2.577 0.137 619 HD3 PRO 82 2HD PRO 82 -5.482 -1.858 -0.600 620 H LEU 83 H LEU 83 -7.264 -4.663 -5.043 621 HA LEU 83 HA LEU 83 -10.057 -5.139 -4.548 622 HB2 LEU 83 1HB LEU 83 -8.120 -6.127 -6.622 623 HB3 LEU 83 2HB LEU 83 -9.787 -6.693 -6.542 624 HG LEU 83 HG LEU 83 -10.439 -4.224 -6.755 625 HD11 LEU 83 1HD1 LEU 83 -8.760 -2.855 -7.961 626 HD12 LEU 83 2HD1 LEU 83 -7.554 -4.093 -7.615 627 HD13 LEU 83 3HD1 LEU 83 -8.313 -3.209 -6.292 628 HD21 LEU 83 1HD2 LEU 83 -10.403 -4.345 -9.141 629 HD22 LEU 83 2HD2 LEU 83 -10.645 -5.979 -8.520 630 HD23 LEU 83 3HD2 LEU 83 -9.059 -5.487 -9.117 631 H SER 84 H SER 84 -10.928 -7.401 -4.599 632 HA SER 84 HA SER 84 -9.938 -8.866 -2.413 633 HB2 SER 84 1HB SER 84 -12.055 -9.278 -4.466 634 HB3 SER 84 2HB SER 84 -11.516 -10.695 -3.565 635 HG SER 84 HG SER 84 -12.101 -8.361 -2.141 636 HA PRO 85 HA PRO 85 -6.905 -11.566 -4.071 637 HB2 PRO 85 1HB PRO 85 -7.404 -13.875 -2.733 638 HB3 PRO 85 2HB PRO 85 -6.690 -12.453 -1.962 639 HG2 PRO 85 1HG PRO 85 -9.530 -13.399 -1.929 640 HG3 PRO 85 2HG PRO 85 -8.547 -12.764 -0.597 641 HD2 PRO 85 1HD PRO 85 -10.372 -11.254 -1.908 642 HD3 PRO 85 2HD PRO 85 -8.881 -10.573 -1.228 643 H LEU 86 H LEU 86 -10.101 -11.895 -4.841 644 HA LEU 86 HA LEU 86 -9.688 -14.322 -6.444 645 HB2 LEU 86 1HB LEU 86 -12.271 -13.903 -6.787 646 HB3 LEU 86 2HB LEU 86 -11.641 -14.731 -5.364 647 HG LEU 86 HG LEU 86 -12.059 -11.784 -5.225 648 HD11 LEU 86 1HD1 LEU 86 -14.423 -12.593 -4.310 649 HD12 LEU 86 2HD1 LEU 86 -14.186 -13.818 -5.556 650 HD13 LEU 86 3HD1 LEU 86 -14.170 -12.108 -5.987 651 HD21 LEU 86 1HD2 LEU 86 -12.805 -12.545 -2.899 652 HD22 LEU 86 2HD2 LEU 86 -11.093 -12.695 -3.298 653 HD23 LEU 86 3HD2 LEU 86 -12.137 -14.117 -3.338 654 H GLU 87 H GLU 87 -10.690 -10.943 -6.643 655 HA GLU 87 HA GLU 87 -11.501 -10.708 -9.237 656 HB2 GLU 87 1HB GLU 87 -9.861 -8.864 -7.519 657 HB3 GLU 87 2HB GLU 87 -10.318 -8.414 -9.156 658 HG2 GLU 87 1HG GLU 87 -12.389 -9.308 -7.197 659 HG3 GLU 87 2HG GLU 87 -11.784 -7.653 -7.176 660 H LEU 88 H LEU 88 -8.372 -11.564 -8.116 661 HA LEU 88 HA LEU 88 -7.216 -11.143 -10.785 662 HB2 LEU 88 1HB LEU 88 -5.058 -11.312 -9.762 663 HB3 LEU 88 2HB LEU 88 -6.029 -10.152 -8.858 664 HG LEU 88 HG LEU 88 -5.910 -12.965 -7.884 665 HD11 LEU 88 1HD1 LEU 88 -3.851 -11.409 -6.651 666 HD12 LEU 88 2HD1 LEU 88 -3.569 -11.493 -8.390 667 HD13 LEU 88 3HD1 LEU 88 -3.737 -12.977 -7.452 668 HD21 LEU 88 1HD2 LEU 88 -5.763 -11.510 -5.712 669 HD22 LEU 88 2HD2 LEU 88 -7.300 -11.710 -6.554 670 HD23 LEU 88 3HD2 LEU 88 -6.360 -10.234 -6.774 671 H MET 89 H MET 89 -8.991 -13.208 -10.654 672 HA MET 89 HA MET 89 -7.235 -15.574 -10.712 673 HB2 MET 89 1HB MET 89 -10.099 -15.325 -9.812 674 HB3 MET 89 2HB MET 89 -9.396 -16.872 -10.265 675 HG2 MET 89 1HG MET 89 -7.593 -16.380 -8.544 676 HG3 MET 89 2HG MET 89 -8.646 -15.084 -7.980 677 HE1 MET 89 1HE MET 89 -8.959 -16.538 -5.281 678 HE2 MET 89 2HE MET 89 -8.604 -18.245 -5.544 679 HE3 MET 89 3HE MET 89 -7.540 -17.009 -6.217 680 H GLU 90 H GLU 90 -7.726 -17.172 -12.315 681 HA GLU 90 HA GLU 90 -9.423 -16.231 -14.522 682 HB2 GLU 90 1HB GLU 90 -6.847 -15.866 -14.784 683 HB3 GLU 90 2HB GLU 90 -6.817 -17.596 -15.097 684 HG2 GLU 90 1HG GLU 90 -8.429 -17.267 -16.928 685 HG3 GLU 90 2HG GLU 90 -8.368 -15.529 -16.639 686 H ALA 91 H ALA 91 -10.678 -17.757 -15.426 687 HA ALA 91 HA ALA 91 -11.445 -20.051 -14.301 688 HB1 ALA 91 1HB ALA 91 -11.166 -19.491 -17.244 689 HB2 ALA 91 2HB ALA 91 -11.992 -20.914 -16.607 690 HB3 ALA 91 3HB ALA 91 -12.596 -19.300 -16.229 691 H SER 92 H SER 92 -10.962 -22.269 -14.420 692 HA SER 92 HA SER 92 -8.140 -22.828 -15.028 693 HB2 SER 92 1HB SER 92 -10.083 -24.122 -13.114 694 HB3 SER 92 2HB SER 92 -8.533 -24.852 -13.530 695 HG SER 92 HG SER 92 -9.075 -22.812 -11.829 696 H GLU 93 H GLU 93 -11.365 -24.325 -15.212 697 HA GLU 93 HA GLU 93 -10.391 -25.912 -17.497 698 HB2 GLU 93 1HB GLU 93 -12.019 -27.619 -16.916 699 HB3 GLU 93 2HB GLU 93 -10.977 -27.289 -15.539 700 HG2 GLU 93 1HG GLU 93 -13.244 -27.538 -14.792 701 HG3 GLU 93 2HG GLU 93 -12.736 -25.864 -14.578 702 H HIS 94 H HIS 94 -12.149 -26.529 -19.051 703 HA HIS 94 HA HIS 94 -14.221 -24.457 -19.268 704 HB2 HIS 94 1HB HIS 94 -12.089 -24.118 -20.738 705 HB3 HIS 94 2HB HIS 94 -12.777 -25.408 -21.719 706 HD1 HIS 94 1HD HIS 94 -15.283 -24.889 -22.635 707 HD2 HIS 94 2HD HIS 94 -13.067 -21.642 -21.289 708 HE1 HIS 94 1HE HIS 94 -16.411 -22.858 -23.599 709 HE2 HIS 94 2HE HIS 94 -15.003 -20.912 -22.841 710 H GLY 95 H GLY 95 -16.144 -25.401 -19.346 711 HA2 GLY 95 1HA GLY 95 -17.406 -26.908 -21.020 712 HA3 GLY 95 2HA GLY 95 -16.325 -28.145 -20.395 713 H GLY 96 H GLY 96 -18.500 -25.620 -19.109 714 HA2 GLY 96 1HA GLY 96 -19.055 -27.142 -16.742 715 HA3 GLY 96 2HA GLY 96 -19.843 -25.650 -17.231 716 H CYS 97 H CYS 97 -21.492 -25.827 -18.950 717 HA CYS 97 HA CYS 97 -23.112 -28.210 -18.490 718 HB2 CYS 97 1HB CYS 97 -24.959 -26.929 -19.396 719 HB3 CYS 97 2HB CYS 97 -24.119 -25.960 -18.191 720 HG CYS 97 HG CYS 97 -22.622 -25.097 -20.836 721 H SER 98 H SER 98 -24.126 -29.345 -20.226 722 HA SER 98 HA SER 98 -24.141 -30.450 -22.215 723 HB2 SER 98 1HB SER 98 -24.540 -28.042 -23.010 724 HB3 SER 98 2HB SER 98 -22.838 -28.037 -23.470 725 HG SER 98 HG SER 98 -23.328 -29.184 -25.153 726 H THR 99 H THR 99 -22.142 -31.232 -20.654 727 HA THR 99 HA THR 99 -19.701 -31.224 -22.287 728 HB THR 99 HB THR 99 -18.977 -30.683 -20.174 729 HG1 THR 99 1HG THR 99 -17.888 -32.461 -19.448 730 HG21 THR 99 1HG2 THR 99 -19.940 -31.973 -18.125 731 HG22 THR 99 2HG2 THR 99 -21.270 -32.354 -19.219 732 HG23 THR 99 3HG2 THR 99 -20.883 -30.673 -18.853 733 HA PRO 100 HA PRO 100 -20.395 -35.365 -23.612 734 HB2 PRO 100 1HB PRO 100 -17.832 -36.085 -24.142 735 HB3 PRO 100 2HB PRO 100 -18.752 -34.982 -25.172 736 HG2 PRO 100 1HG PRO 100 -16.718 -34.355 -23.068 737 HG3 PRO 100 2HG PRO 100 -16.919 -33.640 -24.678 738 HD2 PRO 100 1HD PRO 100 -17.799 -32.424 -22.425 739 HD3 PRO 100 2HD PRO 100 -18.624 -32.251 -23.987 740 H GLY 101 H GLY 101 -20.272 -37.485 -22.887 741 HA2 GLY 101 1HA GLY 101 -18.539 -38.750 -21.255 742 HA3 GLY 101 2HA GLY 101 -19.477 -37.792 -20.119 743 H SER 102 H SER 102 -19.195 -40.789 -21.009 744 HA SER 102 HA SER 102 -22.096 -41.311 -20.999 745 HB2 SER 102 1HB SER 102 -21.636 -43.379 -22.272 746 HB3 SER 102 2HB SER 102 -21.134 -41.939 -23.159 747 HG SER 102 HG SER 102 -19.230 -42.799 -23.229 748 H GLY 103 H GLY 103 -22.504 -43.685 -20.260 749 HA2 GLY 103 1HA GLY 103 -21.407 -43.888 -17.602 750 HA3 GLY 103 2HA GLY 103 -22.636 -44.927 -18.308 751 HA PRO 104 HA PRO 104 -18.318 -46.947 -18.137 752 HB2 PRO 104 1HB PRO 104 -18.699 -48.550 -15.979 753 HB3 PRO 104 2HB PRO 104 -18.027 -46.919 -15.858 754 HG2 PRO 104 1HG PRO 104 -20.826 -47.856 -15.357 755 HG3 PRO 104 2HG PRO 104 -19.843 -46.717 -14.419 756 HD2 PRO 104 1HD PRO 104 -21.752 -45.905 -16.158 757 HD3 PRO 104 2HD PRO 104 -20.276 -44.966 -15.854 758 H SER 105 H SER 105 -17.915 -49.314 -18.329 759 HA SER 105 HA SER 105 -20.205 -51.023 -18.753 760 HB2 SER 105 1HB SER 105 -19.820 -49.607 -20.890 761 HB3 SER 105 2HB SER 105 -18.397 -50.622 -21.125 762 HG SER 105 HG SER 105 -19.678 -52.107 -21.847 763 H SER 106 H SER 106 -19.355 -53.185 -19.791 764 HA SER 106 HA SER 106 -17.708 -54.443 -18.009 765 HB2 SER 106 1HB SER 106 -17.355 -56.178 -19.783 766 HB3 SER 106 2HB SER 106 -19.044 -55.718 -19.565 767 HG SER 106 HG SER 106 -17.278 -55.053 -21.659 768 H GLY 107 H GLY 107 -16.781 -52.714 -20.937 769 HA2 GLY 107 1HA GLY 107 -13.949 -53.178 -20.244 770 HA3 GLY 107 2HA GLY 107 -14.532 -52.840 -21.867 Start of MODEL 14 1 H1 GLY 1 H GLY 1 23.766 -8.360 -6.528 2 HA2 GLY 1 1HA GLY 1 25.718 -6.491 -7.649 3 HA3 GLY 1 2HA GLY 1 25.375 -6.365 -5.930 4 H SER 2 H SER 2 25.793 -9.162 -8.094 5 HA SER 2 HA SER 2 27.368 -10.530 -6.123 6 HB2 SER 2 1HB SER 2 26.898 -11.283 -9.017 7 HB3 SER 2 2HB SER 2 27.462 -12.348 -7.729 8 HG SER 2 HG SER 2 24.906 -11.318 -8.206 9 H SER 3 H SER 3 29.235 -9.366 -5.769 10 HA SER 3 HA SER 3 31.312 -9.717 -7.748 11 HB2 SER 3 1HB SER 3 30.334 -7.562 -8.428 12 HB3 SER 3 2HB SER 3 30.580 -6.936 -6.798 13 HG SER 3 HG SER 3 32.517 -6.441 -7.403 14 H GLY 4 H GLY 4 33.431 -9.447 -6.893 15 HA2 GLY 4 1HA GLY 4 33.540 -9.948 -4.037 16 HA3 GLY 4 2HA GLY 4 34.876 -10.071 -5.172 17 H SER 5 H SER 5 32.790 -7.688 -3.563 18 HA SER 5 HA SER 5 35.146 -5.991 -3.186 19 HB2 SER 5 1HB SER 5 33.774 -3.977 -3.785 20 HB3 SER 5 2HB SER 5 34.109 -5.045 -5.148 21 HG SER 5 HG SER 5 31.798 -5.644 -3.789 22 H SER 6 H SER 6 34.757 -4.262 -1.569 23 HA SER 6 HA SER 6 32.820 -5.162 0.462 24 HB2 SER 6 1HB SER 6 35.256 -5.461 1.037 25 HB3 SER 6 2HB SER 6 35.417 -3.705 0.990 26 HG SER 6 HG SER 6 33.700 -5.195 2.691 27 H GLY 7 H GLY 7 32.346 -3.324 2.092 28 HA2 GLY 7 1HA GLY 7 31.115 -1.390 2.352 29 HA3 GLY 7 2HA GLY 7 32.525 -0.647 1.612 30 H VAL 8 H VAL 8 29.384 -2.105 0.936 31 HA VAL 8 HA VAL 8 29.383 -0.824 -1.707 32 HB VAL 8 HB VAL 8 28.861 -3.247 -1.626 33 HG11 VAL 8 1HG1 VAL 8 26.372 -3.619 -0.806 34 HG12 VAL 8 2HG1 VAL 8 27.742 -3.755 0.298 35 HG13 VAL 8 3HG1 VAL 8 26.781 -2.276 0.261 36 HG21 VAL 8 1HG2 VAL 8 26.756 -3.101 -2.961 37 HG22 VAL 8 2HG2 VAL 8 26.659 -1.394 -2.526 38 HG23 VAL 8 3HG2 VAL 8 28.021 -1.985 -3.478 39 H LYS 9 H LYS 9 27.642 0.473 -2.373 40 HA LYS 9 HA LYS 9 26.235 1.775 -0.155 41 HB2 LYS 9 1HB LYS 9 26.065 3.698 -1.496 42 HB3 LYS 9 2HB LYS 9 27.675 3.073 -1.827 43 HG2 LYS 9 1HG LYS 9 26.688 1.942 -3.854 44 HG3 LYS 9 2HG LYS 9 25.229 2.892 -3.562 45 HD2 LYS 9 1HD LYS 9 26.236 4.867 -4.139 46 HD3 LYS 9 2HD LYS 9 27.840 4.316 -3.652 47 HE2 LYS 9 1HE LYS 9 26.457 3.071 -5.995 48 HE3 LYS 9 2HE LYS 9 27.296 4.611 -6.174 49 HZ1 LYS 9 1HZ LYS 9 28.875 2.670 -4.792 50 HZ2 LYS 9 2HZ LYS 9 29.258 3.597 -6.154 51 HZ3 LYS 9 3HZ LYS 9 28.428 2.134 -6.333 52 HA PRO 10 HA PRO 10 22.372 0.017 -1.322 53 HB2 PRO 10 1HB PRO 10 20.711 1.881 -0.255 54 HB3 PRO 10 2HB PRO 10 21.605 0.716 0.728 55 HG2 PRO 10 1HG PRO 10 22.244 3.580 0.137 56 HG3 PRO 10 2HG PRO 10 22.354 2.704 1.675 57 HD2 PRO 10 1HD PRO 10 24.516 3.197 0.121 58 HD3 PRO 10 2HD PRO 10 24.374 1.740 1.126 59 HA PRO 11 HA PRO 11 21.405 2.048 -5.150 60 HB2 PRO 11 1HB PRO 11 19.295 0.483 -5.831 61 HB3 PRO 11 2HB PRO 11 20.973 -0.054 -5.970 62 HG2 PRO 11 1HG PRO 11 18.974 -0.626 -3.816 63 HG3 PRO 11 2HG PRO 11 20.125 -1.727 -4.595 64 HD2 PRO 11 1HD PRO 11 20.576 -0.630 -2.160 65 HD3 PRO 11 2HD PRO 11 21.888 -1.002 -3.298 66 H HIS 12 H HIS 12 18.847 1.290 -2.808 67 HA HIS 12 HA HIS 12 17.799 3.951 -2.962 68 HB2 HIS 12 1HB HIS 12 15.461 3.094 -3.597 69 HB3 HIS 12 2HB HIS 12 16.640 3.274 -4.892 70 HD1 HIS 12 1HD HIS 12 14.963 0.620 -2.803 71 HD2 HIS 12 2HD HIS 12 17.253 0.960 -6.253 72 HE1 HIS 12 1HE HIS 12 14.911 -1.656 -3.871 73 HE2 HIS 12 2HE HIS 12 16.373 -1.449 -5.912 74 H GLY 13 H GLY 13 15.418 3.779 -1.797 75 HA2 GLY 13 1HA GLY 13 16.022 2.389 0.728 76 HA3 GLY 13 2HA GLY 13 15.002 3.811 0.573 77 H PHE 14 H PHE 14 15.101 0.571 -0.919 78 HA PHE 14 HA PHE 14 12.362 0.124 0.016 79 HB2 PHE 14 1HB PHE 14 13.271 -0.227 -2.848 80 HB3 PHE 14 2HB PHE 14 11.716 -0.754 -2.212 81 HD1 PHE 14 1HD PHE 14 13.827 2.268 -2.673 82 HD2 PHE 14 2HD PHE 14 9.900 0.689 -2.222 83 HE1 PHE 14 1HE PHE 14 12.883 4.486 -3.165 84 HE2 PHE 14 2HE PHE 14 8.950 2.905 -2.714 85 HZ PHE 14 HZ PHE 14 10.441 4.806 -3.187 86 H GLN 15 H GLN 15 11.806 -2.033 0.328 87 HA GLN 15 HA GLN 15 13.995 -3.975 -0.008 88 HB2 GLN 15 1HB GLN 15 12.086 -3.772 2.328 89 HB3 GLN 15 2HB GLN 15 13.302 -5.023 2.110 90 HG2 GLN 15 1HG GLN 15 15.071 -3.506 2.427 91 HG3 GLN 15 2HG GLN 15 14.006 -2.111 2.255 92 HE21 GLN 15 1HE2 GLN 15 14.966 -1.436 4.279 93 HE22 GLN 15 2HE2 GLN 15 14.333 -2.051 5.764 94 H LYS 16 H LYS 16 13.144 -6.288 0.219 95 HA LYS 16 HA LYS 16 10.885 -6.552 -1.594 96 HB2 LYS 16 1HB LYS 16 13.096 -8.334 -0.674 97 HB3 LYS 16 2HB LYS 16 11.621 -9.079 -1.276 98 HG2 LYS 16 1HG LYS 16 11.955 -8.343 -3.416 99 HG3 LYS 16 2HG LYS 16 12.908 -6.948 -2.904 100 HD2 LYS 16 1HD LYS 16 14.846 -8.143 -2.787 101 HD3 LYS 16 2HD LYS 16 14.022 -9.642 -2.350 102 HE2 LYS 16 1HE LYS 16 13.101 -9.567 -4.761 103 HE3 LYS 16 2HE LYS 16 14.398 -8.410 -5.058 104 HZ1 LYS 16 1HZ LYS 16 15.782 -10.313 -3.883 105 HZ2 LYS 16 2HZ LYS 16 15.492 -10.312 -5.549 106 HZ3 LYS 16 3HZ LYS 16 14.548 -11.275 -4.528 107 H LYS 17 H LYS 17 9.039 -7.777 -1.168 108 HA LYS 17 HA LYS 17 7.343 -8.670 0.062 109 HB2 LYS 17 1HB LYS 17 9.351 -9.142 2.264 110 HB3 LYS 17 2HB LYS 17 7.833 -9.988 1.995 111 HG2 LYS 17 1HG LYS 17 8.798 -10.832 -0.161 112 HG3 LYS 17 2HG LYS 17 10.345 -10.156 0.352 113 HD2 LYS 17 1HD LYS 17 10.606 -11.691 2.046 114 HD3 LYS 17 2HD LYS 17 8.870 -11.963 2.211 115 HE2 LYS 17 1HE LYS 17 8.844 -13.205 0.125 116 HE3 LYS 17 2HE LYS 17 10.559 -12.877 -0.116 117 HZ1 LYS 17 1HZ LYS 17 10.337 -14.012 2.393 118 HZ2 LYS 17 2HZ LYS 17 10.970 -14.730 0.999 119 HZ3 LYS 17 3HZ LYS 17 9.338 -14.938 1.390 120 H MET 18 H MET 18 7.980 -5.860 0.172 121 HA MET 18 HA MET 18 6.901 -5.210 2.837 122 HB2 MET 18 1HB MET 18 8.172 -3.270 2.948 123 HB3 MET 18 2HB MET 18 9.284 -4.403 2.192 124 HG2 MET 18 1HG MET 18 8.996 -3.436 0.072 125 HG3 MET 18 2HG MET 18 7.568 -2.542 0.587 126 HE1 MET 18 1HE MET 18 10.385 -0.554 -0.736 127 HE2 MET 18 2HE MET 18 8.665 -0.932 -0.827 128 HE3 MET 18 3HE MET 18 9.208 0.504 0.043 129 H LYS 19 H LYS 19 5.828 -2.922 2.742 130 HA LYS 19 HA LYS 19 4.011 -2.928 0.424 131 HB2 LYS 19 1HB LYS 19 3.573 -2.113 3.295 132 HB3 LYS 19 2HB LYS 19 2.451 -1.688 2.008 133 HG2 LYS 19 1HG LYS 19 3.219 -4.483 2.827 134 HG3 LYS 19 2HG LYS 19 1.707 -3.660 3.219 135 HD2 LYS 19 1HD LYS 19 1.612 -3.372 0.586 136 HD3 LYS 19 2HD LYS 19 2.642 -4.805 0.638 137 HE2 LYS 19 1HE LYS 19 0.226 -5.329 0.448 138 HE3 LYS 19 2HE LYS 19 0.983 -6.018 1.883 139 HZ1 LYS 19 1HZ LYS 19 -0.360 -3.405 2.049 140 HZ2 LYS 19 2HZ LYS 19 -0.095 -4.549 3.265 141 HZ3 LYS 19 3HZ LYS 19 -1.280 -4.824 2.090 142 H LEU 20 H LEU 20 3.434 -0.972 -0.545 143 HA LEU 20 HA LEU 20 4.433 1.541 0.373 144 HB2 LEU 20 1HB LEU 20 6.223 1.902 -0.956 145 HB3 LEU 20 2HB LEU 20 6.357 0.150 -0.826 146 HG LEU 20 HG LEU 20 4.857 0.274 -3.027 147 HD11 LEU 20 1HD1 LEU 20 6.179 2.938 -2.787 148 HD12 LEU 20 2HD1 LEU 20 4.576 2.526 -3.396 149 HD13 LEU 20 3HD1 LEU 20 6.004 2.190 -4.375 150 HD21 LEU 20 1HD2 LEU 20 7.440 0.719 -4.004 151 HD22 LEU 20 2HD2 LEU 20 6.679 -0.832 -3.650 152 HD23 LEU 20 3HD2 LEU 20 7.652 -0.026 -2.420 153 H GLU 21 H GLU 21 3.371 3.226 -0.569 154 HA GLU 21 HA GLU 21 1.175 2.547 -2.327 155 HB2 GLU 21 1HB GLU 21 1.963 5.197 -1.102 156 HB3 GLU 21 2HB GLU 21 0.470 4.882 -1.977 157 HG2 GLU 21 1HG GLU 21 -0.224 3.299 -0.282 158 HG3 GLU 21 2HG GLU 21 1.298 3.523 0.578 159 H VAL 22 H VAL 22 1.216 2.723 -4.462 160 HA VAL 22 HA VAL 22 3.269 4.448 -5.690 161 HB VAL 22 HB VAL 22 2.088 1.868 -6.724 162 HG11 VAL 22 1HG1 VAL 22 2.358 2.902 -8.721 163 HG12 VAL 22 2HG1 VAL 22 3.533 4.058 -8.089 164 HG13 VAL 22 3HG1 VAL 22 4.034 2.411 -8.478 165 HG21 VAL 22 1HG2 VAL 22 4.365 1.033 -6.587 166 HG22 VAL 22 2HG2 VAL 22 4.926 2.598 -5.999 167 HG23 VAL 22 3HG2 VAL 22 3.837 1.623 -5.011 168 H VAL 23 H VAL 23 2.675 5.854 -7.275 169 HA VAL 23 HA VAL 23 -0.124 6.490 -7.485 170 HB VAL 23 HB VAL 23 2.280 7.718 -8.841 171 HG11 VAL 23 1HG1 VAL 23 0.009 7.950 -9.999 172 HG12 VAL 23 2HG1 VAL 23 -0.442 8.964 -8.626 173 HG13 VAL 23 3HG1 VAL 23 0.910 9.428 -9.661 174 HG21 VAL 23 1HG2 VAL 23 2.108 9.464 -7.211 175 HG22 VAL 23 2HG2 VAL 23 0.629 8.769 -6.548 176 HG23 VAL 23 3HG2 VAL 23 2.164 7.922 -6.357 177 H ASP 24 H ASP 24 -1.467 5.600 -8.892 178 HA ASP 24 HA ASP 24 -0.749 3.808 -10.899 179 HB2 ASP 24 1HB ASP 24 -3.072 4.376 -9.766 180 HB3 ASP 24 2HB ASP 24 -3.262 5.397 -11.189 181 H LYS 25 H LYS 25 0.559 4.313 -12.538 182 HA LYS 25 HA LYS 25 1.162 6.704 -13.656 183 HB2 LYS 25 1HB LYS 25 0.781 4.344 -15.468 184 HB3 LYS 25 2HB LYS 25 2.052 5.560 -15.488 185 HG2 LYS 25 1HG LYS 25 1.724 3.259 -13.586 186 HG3 LYS 25 2HG LYS 25 3.039 3.557 -14.726 187 HD2 LYS 25 1HD LYS 25 2.441 5.517 -12.540 188 HD3 LYS 25 2HD LYS 25 3.404 4.074 -12.213 189 HE2 LYS 25 1HE LYS 25 5.145 4.771 -13.540 190 HE3 LYS 25 2HE LYS 25 4.110 5.771 -14.558 191 HZ1 LYS 25 1HZ LYS 25 5.607 7.046 -13.078 192 HZ2 LYS 25 2HZ LYS 25 4.784 6.417 -11.741 193 HZ3 LYS 25 3HZ LYS 25 3.970 7.406 -12.846 194 H ARG 26 H ARG 26 -1.336 4.526 -14.983 195 HA ARG 26 HA ARG 26 -2.328 6.233 -16.927 196 HB2 ARG 26 1HB ARG 26 -4.446 4.914 -16.730 197 HB3 ARG 26 2HB ARG 26 -2.997 3.933 -16.903 198 HG2 ARG 26 1HG ARG 26 -3.112 3.957 -14.258 199 HG3 ARG 26 2HG ARG 26 -4.823 4.232 -14.591 200 HD2 ARG 26 1HD ARG 26 -4.431 2.232 -16.283 201 HD3 ARG 26 2HD ARG 26 -3.127 1.859 -15.156 202 HE ARG 26 HE ARG 26 -4.690 1.225 -13.602 203 HH11 ARG 26 2HH1 ARG 26 -6.259 2.958 -16.181 204 HH12 ARG 26 1HH1 ARG 26 -7.860 2.583 -15.635 205 HH21 ARG 26 2HH2 ARG 26 -6.793 0.724 -12.873 206 HH22 ARG 26 1HH2 ARG 26 -8.163 1.313 -13.752 207 H ASN 27 H ASN 27 -3.198 5.981 -13.510 208 HA ASN 27 HA ASN 27 -4.640 8.535 -13.775 209 HB2 ASN 27 1HB ASN 27 -5.434 6.463 -11.746 210 HB3 ASN 27 2HB ASN 27 -6.372 7.819 -12.365 211 HD21 ASN 27 1HD2 ASN 27 -7.345 5.219 -12.227 212 HD22 ASN 27 2HD2 ASN 27 -7.598 4.636 -13.834 213 HA PRO 28 HA PRO 28 -1.321 9.314 -10.767 214 HB2 PRO 28 1HB PRO 28 -1.285 11.995 -11.195 215 HB3 PRO 28 2HB PRO 28 -0.441 10.844 -12.237 216 HG2 PRO 28 1HG PRO 28 -3.091 12.175 -12.642 217 HG3 PRO 28 2HG PRO 28 -1.784 11.906 -13.810 218 HD2 PRO 28 1HD PRO 28 -3.989 10.338 -13.704 219 HD3 PRO 28 2HD PRO 28 -2.396 9.715 -14.180 220 H MET 29 H MET 29 -4.596 9.990 -10.861 221 HA MET 29 HA MET 29 -4.552 11.524 -8.361 222 HB2 MET 29 1HB MET 29 -6.858 10.930 -10.224 223 HB3 MET 29 2HB MET 29 -6.932 11.950 -8.793 224 HG2 MET 29 1HG MET 29 -6.674 13.555 -10.367 225 HG3 MET 29 2HG MET 29 -4.977 13.217 -10.035 226 HE1 MET 29 1HE MET 29 -7.320 11.366 -13.504 227 HE2 MET 29 2HE MET 29 -7.888 11.678 -11.863 228 HE3 MET 29 3HE MET 29 -7.776 13.002 -13.024 229 H PHE 30 H PHE 30 -4.242 8.472 -8.989 230 HA PHE 30 HA PHE 30 -5.947 7.629 -6.755 231 HB2 PHE 30 1HB PHE 30 -5.772 6.372 -9.480 232 HB3 PHE 30 2HB PHE 30 -6.190 5.404 -8.070 233 HD1 PHE 30 1HD PHE 30 -8.235 5.961 -6.764 234 HD2 PHE 30 2HD PHE 30 -7.344 7.801 -10.497 235 HE1 PHE 30 1HE PHE 30 -10.582 6.672 -6.969 236 HE2 PHE 30 2HE PHE 30 -9.689 8.516 -10.708 237 HZ PHE 30 HZ PHE 30 -11.311 7.952 -8.943 238 H ILE 31 H ILE 31 -4.765 6.722 -5.217 239 HA ILE 31 HA ILE 31 -2.257 5.373 -5.980 240 HB ILE 31 HB ILE 31 -2.786 6.914 -3.437 241 HG12 ILE 31 1HG1 ILE 31 -0.745 7.618 -5.526 242 HG13 ILE 31 2HG1 ILE 31 -2.411 8.164 -5.687 243 HG21 ILE 31 1HG2 ILE 31 -1.300 4.938 -3.196 244 HG22 ILE 31 2HG2 ILE 31 -0.226 5.651 -4.399 245 HG23 ILE 31 3HG2 ILE 31 -0.497 6.472 -2.863 246 HD11 ILE 31 1HD1 ILE 31 -2.212 9.237 -3.463 247 HD12 ILE 31 2HD1 ILE 31 -0.505 8.793 -3.450 248 HD13 ILE 31 3HD1 ILE 31 -1.120 9.899 -4.678 249 H ARG 32 H ARG 32 -1.851 3.394 -5.127 250 HA ARG 32 HA ARG 32 -3.647 2.366 -3.050 251 HB2 ARG 32 1HB ARG 32 -3.091 1.068 -5.717 252 HB3 ARG 32 2HB ARG 32 -3.760 0.195 -4.345 253 HG2 ARG 32 1HG ARG 32 -5.748 1.455 -4.381 254 HG3 ARG 32 2HG ARG 32 -5.053 2.661 -5.465 255 HD2 ARG 32 1HD ARG 32 -6.260 1.466 -6.981 256 HD3 ARG 32 2HD ARG 32 -4.759 0.541 -7.027 257 HE ARG 32 HE ARG 32 -6.114 -0.757 -5.134 258 HH11 ARG 32 2HH1 ARG 32 -7.093 0.363 -8.281 259 HH12 ARG 32 1HH1 ARG 32 -8.253 -0.901 -8.514 260 HH21 ARG 32 2HH2 ARG 32 -7.639 -2.427 -5.429 261 HH22 ARG 32 1HH2 ARG 32 -8.564 -2.488 -6.891 262 H VAL 33 H VAL 33 -2.847 0.198 -2.223 263 HA VAL 33 HA VAL 33 -0.099 0.479 -1.481 264 HB VAL 33 HB VAL 33 -1.989 -1.819 -0.953 265 HG11 VAL 33 1HG1 VAL 33 -0.383 -2.819 0.241 266 HG12 VAL 33 2HG1 VAL 33 0.737 -1.774 -0.637 267 HG13 VAL 33 3HG1 VAL 33 0.153 -1.300 0.958 268 HG21 VAL 33 1HG2 VAL 33 -1.578 -0.354 1.383 269 HG22 VAL 33 2HG2 VAL 33 -1.849 0.853 0.127 270 HG23 VAL 33 3HG2 VAL 33 -3.046 -0.410 0.408 271 H ALA 34 H ALA 34 1.660 -0.691 -2.104 272 HA ALA 34 HA ALA 34 1.258 -2.655 -4.266 273 HB1 ALA 34 1HB ALA 34 3.048 -1.813 -5.484 274 HB2 ALA 34 2HB ALA 34 2.249 -0.357 -4.889 275 HB3 ALA 34 3HB ALA 34 3.712 -0.946 -4.099 276 H THR 35 H THR 35 3.385 -3.969 -4.577 277 HA THR 35 HA THR 35 4.622 -4.587 -1.991 278 HB THR 35 HB THR 35 3.487 -6.719 -3.810 279 HG1 THR 35 1HG THR 35 2.162 -6.954 -1.717 280 HG21 THR 35 1HG2 THR 35 4.294 -7.203 -0.988 281 HG22 THR 35 2HG2 THR 35 5.568 -7.046 -2.198 282 HG23 THR 35 3HG2 THR 35 4.330 -8.290 -2.376 283 H VAL 36 H VAL 36 6.727 -4.308 -2.319 284 HA VAL 36 HA VAL 36 7.986 -4.363 -4.841 285 HB VAL 36 HB VAL 36 9.415 -4.755 -2.218 286 HG11 VAL 36 1HG1 VAL 36 10.154 -3.938 -4.964 287 HG12 VAL 36 2HG1 VAL 36 10.950 -3.090 -3.637 288 HG13 VAL 36 3HG1 VAL 36 11.072 -4.846 -3.763 289 HG21 VAL 36 1HG2 VAL 36 7.998 -2.931 -1.759 290 HG22 VAL 36 2HG2 VAL 36 9.544 -2.215 -2.217 291 HG23 VAL 36 3HG2 VAL 36 8.213 -2.254 -3.373 292 H ALA 37 H ALA 37 7.967 -6.192 -6.014 293 HA ALA 37 HA ALA 37 8.281 -8.790 -4.815 294 HB1 ALA 37 1HB ALA 37 8.528 -8.422 -7.751 295 HB2 ALA 37 2HB ALA 37 7.658 -9.650 -6.831 296 HB3 ALA 37 3HB ALA 37 6.983 -8.030 -6.996 297 H ASP 38 H ASP 38 10.237 -6.703 -6.920 298 HA ASP 38 HA ASP 38 12.643 -8.007 -5.921 299 HB2 ASP 38 1HB ASP 38 11.714 -9.026 -8.185 300 HB3 ASP 38 2HB ASP 38 12.501 -7.611 -8.877 301 H THR 39 H THR 39 14.371 -6.659 -5.781 302 HA THR 39 HA THR 39 13.912 -3.875 -6.602 303 HB THR 39 HB THR 39 15.668 -3.288 -4.954 304 HG1 THR 39 1HG THR 39 16.627 -4.835 -3.746 305 HG21 THR 39 1HG2 THR 39 13.527 -4.999 -3.694 306 HG22 THR 39 2HG2 THR 39 13.226 -3.397 -4.366 307 HG23 THR 39 3HG2 THR 39 14.325 -3.588 -3.001 308 H ASP 40 H ASP 40 14.817 -3.429 -8.506 309 HA ASP 40 HA ASP 40 17.126 -4.829 -9.481 310 HB2 ASP 40 1HB ASP 40 15.103 -3.713 -10.777 311 HB3 ASP 40 2HB ASP 40 16.164 -2.306 -10.755 312 H ASP 41 H ASP 41 18.843 -3.261 -10.596 313 HA ASP 41 HA ASP 41 20.532 -2.328 -8.653 314 HB2 ASP 41 1HB ASP 41 20.316 -1.222 -11.461 315 HB3 ASP 41 2HB ASP 41 21.727 -1.129 -10.411 316 H HIS 42 H HIS 42 18.447 -0.271 -10.692 317 HA HIS 42 HA HIS 42 18.368 1.671 -8.481 318 HB2 HIS 42 1HB HIS 42 18.213 2.650 -11.296 319 HB3 HIS 42 2HB HIS 42 18.814 3.467 -9.856 320 HD1 HIS 42 1HD HIS 42 21.290 3.433 -9.481 321 HD2 HIS 42 2HD HIS 42 20.087 0.724 -12.392 322 HE1 HIS 42 1HE HIS 42 23.414 2.552 -10.498 323 HE2 HIS 42 2HE HIS 42 22.660 0.978 -12.314 324 H ARG 43 H ARG 43 16.552 -0.506 -9.656 325 HA ARG 43 HA ARG 43 14.135 1.151 -9.651 326 HB2 ARG 43 1HB ARG 43 14.566 -1.111 -11.606 327 HB3 ARG 43 2HB ARG 43 13.169 -0.048 -11.510 328 HG2 ARG 43 1HG ARG 43 14.849 1.846 -11.974 329 HG3 ARG 43 2HG ARG 43 15.924 0.551 -12.504 330 HD2 ARG 43 1HD ARG 43 13.987 -0.215 -13.980 331 HD3 ARG 43 2HD ARG 43 13.258 1.353 -13.633 332 HE ARG 43 HE ARG 43 14.756 2.323 -15.064 333 HH11 ARG 43 2HH1 ARG 43 15.871 -0.871 -14.246 334 HH12 ARG 43 1HH1 ARG 43 17.168 -0.854 -15.395 335 HH21 ARG 43 2HH2 ARG 43 16.460 2.358 -16.580 336 HH22 ARG 43 1HH2 ARG 43 17.503 0.984 -16.721 337 H VAL 44 H VAL 44 12.135 -0.314 -9.470 338 HA VAL 44 HA VAL 44 12.618 -2.817 -8.073 339 HB VAL 44 HB VAL 44 11.332 -2.206 -6.099 340 HG11 VAL 44 1HG1 VAL 44 13.749 -1.940 -6.011 341 HG12 VAL 44 2HG1 VAL 44 13.605 -0.293 -6.628 342 HG13 VAL 44 3HG1 VAL 44 12.954 -0.701 -5.040 343 HG21 VAL 44 1HG2 VAL 44 9.825 -0.566 -6.656 344 HG22 VAL 44 2HG2 VAL 44 11.043 0.388 -5.808 345 HG23 VAL 44 3HG2 VAL 44 11.010 0.367 -7.571 346 H LYS 45 H LYS 45 11.066 -4.259 -8.502 347 HA LYS 45 HA LYS 45 8.890 -3.521 -10.222 348 HB2 LYS 45 1HB LYS 45 10.232 -5.702 -10.276 349 HB3 LYS 45 2HB LYS 45 9.265 -6.200 -8.894 350 HG2 LYS 45 1HG LYS 45 7.315 -6.319 -10.133 351 HG3 LYS 45 2HG LYS 45 7.935 -5.254 -11.397 352 HD2 LYS 45 1HD LYS 45 9.686 -7.195 -11.710 353 HD3 LYS 45 2HD LYS 45 8.421 -8.160 -10.946 354 HE2 LYS 45 1HE LYS 45 8.189 -8.259 -13.351 355 HE3 LYS 45 2HE LYS 45 6.829 -7.378 -12.655 356 HZ1 LYS 45 1HZ LYS 45 8.772 -5.493 -13.209 357 HZ2 LYS 45 2HZ LYS 45 7.314 -5.730 -14.032 358 HZ3 LYS 45 3HZ LYS 45 8.722 -6.502 -14.565 359 H VAL 46 H VAL 46 7.199 -2.480 -9.378 360 HA VAL 46 HA VAL 46 6.262 -3.136 -6.694 361 HB VAL 46 HB VAL 46 4.671 -1.219 -7.084 362 HG11 VAL 46 1HG1 VAL 46 7.313 -0.022 -7.530 363 HG12 VAL 46 2HG1 VAL 46 6.189 0.172 -6.184 364 HG13 VAL 46 3HG1 VAL 46 7.257 -1.231 -6.247 365 HG21 VAL 46 1HG2 VAL 46 5.540 -1.530 -9.736 366 HG22 VAL 46 2HG2 VAL 46 4.453 -0.298 -9.096 367 HG23 VAL 46 3HG2 VAL 46 6.187 0.015 -9.184 368 H HIS 47 H HIS 47 4.843 -4.730 -6.484 369 HA HIS 47 HA HIS 47 2.936 -5.237 -8.662 370 HB2 HIS 47 1HB HIS 47 4.082 -7.234 -8.269 371 HB3 HIS 47 2HB HIS 47 4.125 -6.980 -6.526 372 HD1 HIS 47 1HD HIS 47 2.297 -8.739 -9.120 373 HD2 HIS 47 2HD HIS 47 1.485 -7.356 -5.287 374 HE1 HIS 47 1HE HIS 47 0.234 -9.975 -8.382 375 HE2 HIS 47 2HE HIS 47 -0.287 -9.059 -6.094 376 H PHE 48 H PHE 48 0.864 -4.744 -8.389 377 HA PHE 48 HA PHE 48 -0.046 -3.709 -5.855 378 HB2 PHE 48 1HB PHE 48 -1.286 -3.954 -8.587 379 HB3 PHE 48 2HB PHE 48 -2.237 -3.455 -7.191 380 HD1 PHE 48 1HD PHE 48 1.217 -2.626 -8.332 381 HD2 PHE 48 2HD PHE 48 -2.665 -1.204 -7.316 382 HE1 PHE 48 1HE PHE 48 1.988 -0.310 -8.641 383 HE2 PHE 48 2HE PHE 48 -1.900 1.113 -7.625 384 HZ PHE 48 HZ PHE 48 0.428 1.563 -8.289 385 H ASP 49 H ASP 49 -0.830 -4.950 -4.300 386 HA ASP 49 HA ASP 49 -1.296 -7.647 -4.378 387 HB2 ASP 49 1HB ASP 49 -1.175 -6.551 -2.261 388 HB3 ASP 49 2HB ASP 49 -2.558 -5.527 -2.639 389 H GLY 50 H GLY 50 -2.659 -8.838 -5.525 390 HA2 GLY 50 1HA GLY 50 -4.876 -9.563 -6.018 391 HA3 GLY 50 2HA GLY 50 -5.423 -7.901 -5.851 392 H TRP 51 H TRP 51 -3.505 -6.650 -7.490 393 HA TRP 51 HA TRP 51 -4.710 -6.871 -10.000 394 HB2 TRP 51 1HB TRP 51 -2.020 -5.726 -9.224 395 HB3 TRP 51 2HB TRP 51 -2.755 -5.527 -10.813 396 HD1 TRP 51 HD TRP 51 -4.793 -5.253 -7.569 397 HE1 TRP 51 1HE TRP 51 -5.671 -2.842 -7.361 398 HE3 TRP 51 3HE TRP 51 -2.326 -3.147 -11.521 399 HZ2 TRP 51 2HZ TRP 51 -5.359 -0.375 -8.695 400 HZ3 TRP 51 3HZ TRP 51 -2.671 -0.755 -11.987 401 HH2 TRP 51 HH TRP 51 -4.157 0.600 -10.603 402 H ASN 52 H ASN 52 -4.073 -7.809 -11.938 403 HA ASN 52 HA ASN 52 -2.879 -10.345 -11.784 404 HB2 ASN 52 1HB ASN 52 -4.508 -9.551 -13.541 405 HB3 ASN 52 2HB ASN 52 -3.173 -8.679 -14.288 406 HD21 ASN 52 1HD2 ASN 52 -4.839 -11.573 -14.137 407 HD22 ASN 52 2HD2 ASN 52 -3.726 -12.561 -15.014 408 H ASN 53 H ASN 53 -0.883 -11.121 -12.464 409 HA ASN 53 HA ASN 53 1.383 -9.748 -11.808 410 HB2 ASN 53 1HB ASN 53 0.929 -12.018 -13.727 411 HB3 ASN 53 2HB ASN 53 2.544 -11.362 -13.476 412 HD21 ASN 53 1HD2 ASN 53 3.516 -11.565 -11.440 413 HD22 ASN 53 2HD2 ASN 53 2.976 -12.741 -10.296 414 H CYS 54 H CYS 54 -0.233 -9.825 -14.943 415 HA CYS 54 HA CYS 54 1.666 -8.582 -16.521 416 HB2 CYS 54 1HB CYS 54 -1.307 -8.749 -16.574 417 HB3 CYS 54 2HB CYS 54 -0.542 -7.558 -17.619 418 HG CYS 54 HG CYS 54 -1.176 -10.496 -18.455 419 H TYR 55 H TYR 55 -0.896 -7.049 -14.584 420 HA TYR 55 HA TYR 55 -0.545 -4.420 -15.172 421 HB2 TYR 55 1HB TYR 55 -1.304 -5.866 -12.686 422 HB3 TYR 55 2HB TYR 55 -0.930 -4.153 -12.538 423 HD1 TYR 55 1HD TYR 55 -2.152 -2.585 -14.249 424 HD2 TYR 55 2HD TYR 55 -3.462 -6.504 -13.237 425 HE1 TYR 55 1HE TYR 55 -4.419 -2.019 -15.018 426 HE2 TYR 55 2HE TYR 55 -5.732 -5.950 -14.005 427 HH TYR 55 HH TYR 55 -6.591 -2.684 -14.994 428 H ASP 56 H ASP 56 1.254 -6.158 -12.630 429 HA ASP 56 HA ASP 56 2.896 -4.330 -11.602 430 HB2 ASP 56 1HB ASP 56 4.142 -6.848 -12.678 431 HB3 ASP 56 2HB ASP 56 4.488 -6.004 -11.170 432 H TYR 57 H TYR 57 4.853 -3.301 -12.083 433 HA TYR 57 HA TYR 57 5.984 -3.512 -14.735 434 HB2 TYR 57 1HB TYR 57 5.740 -0.995 -15.084 435 HB3 TYR 57 2HB TYR 57 4.294 -1.968 -15.324 436 HD1 TYR 57 2HD TYR 57 6.024 -0.070 -12.607 437 HD2 TYR 57 1HD TYR 57 2.328 -1.234 -14.364 438 HE1 TYR 57 2HE TYR 57 4.818 1.334 -10.987 439 HE2 TYR 57 1HE TYR 57 1.112 0.168 -12.749 440 HH TYR 57 HH TYR 57 2.648 2.475 -10.797 441 H TRP 58 H TRP 58 8.046 -2.603 -14.903 442 HA TRP 58 HA TRP 58 9.451 -2.369 -12.417 443 HB2 TRP 58 1HB TRP 58 10.202 -2.369 -15.307 444 HB3 TRP 58 2HB TRP 58 11.354 -1.719 -14.144 445 HD1 TRP 58 HD TRP 58 10.333 -4.897 -15.693 446 HE1 TRP 58 1HE TRP 58 11.386 -6.895 -14.458 447 HE3 TRP 58 3HE TRP 58 11.949 -2.488 -11.483 448 HZ2 TRP 58 2HZ TRP 58 12.724 -7.385 -12.021 449 HZ3 TRP 58 3HZ TRP 58 13.105 -3.794 -9.748 450 HH2 TRP 58 HH TRP 58 13.484 -6.191 -10.013 451 H ILE 59 H ILE 59 9.155 -0.563 -11.258 452 HA ILE 59 HA ILE 59 9.247 2.026 -12.651 453 HB ILE 59 HB ILE 59 7.234 1.445 -11.209 454 HG12 ILE 59 1HG1 ILE 59 8.743 3.919 -10.352 455 HG13 ILE 59 2HG1 ILE 59 7.961 3.761 -11.921 456 HG21 ILE 59 1HG2 ILE 59 9.327 1.747 -9.071 457 HG22 ILE 59 2HG2 ILE 59 7.603 1.935 -8.756 458 HG23 ILE 59 3HG2 ILE 59 8.229 0.393 -9.341 459 HD11 ILE 59 1HD1 ILE 59 6.149 3.090 -9.784 460 HD12 ILE 59 2HD1 ILE 59 6.830 4.703 -9.574 461 HD13 ILE 59 3HD1 ILE 59 5.989 4.288 -11.067 462 H ASP 60 H ASP 60 10.654 3.625 -12.004 463 HA ASP 60 HA ASP 60 13.083 2.763 -10.780 464 HB2 ASP 60 1HB ASP 60 12.121 5.501 -11.630 465 HB3 ASP 60 2HB ASP 60 13.744 5.172 -11.029 466 H ALA 61 H ALA 61 13.533 2.672 -8.690 467 HA ALA 61 HA ALA 61 11.788 3.343 -6.643 468 HB1 ALA 61 1HB ALA 61 14.692 3.432 -6.048 469 HB2 ALA 61 2HB ALA 61 13.388 2.587 -5.214 470 HB3 ALA 61 3HB ALA 61 14.039 1.937 -6.718 471 H ASP 62 H ASP 62 14.360 5.251 -8.116 472 HA ASP 62 HA ASP 62 14.213 7.394 -6.237 473 HB2 ASP 62 1HB ASP 62 15.362 7.289 -9.034 474 HB3 ASP 62 2HB ASP 62 15.573 8.631 -7.912 475 H SER 63 H SER 63 11.955 6.354 -8.311 476 HA SER 63 HA SER 63 11.130 8.715 -9.642 477 HB2 SER 63 1HB SER 63 10.440 6.393 -10.282 478 HB3 SER 63 2HB SER 63 9.407 6.355 -8.853 479 HG SER 63 HG SER 63 8.093 7.830 -9.738 480 HA PRO 64 HA PRO 64 9.373 10.932 -6.246 481 HB2 PRO 64 1HB PRO 64 7.975 12.752 -7.698 482 HB3 PRO 64 2HB PRO 64 9.731 12.820 -7.507 483 HG2 PRO 64 1HG PRO 64 8.114 11.760 -9.792 484 HG3 PRO 64 2HG PRO 64 9.577 12.760 -9.826 485 HD2 PRO 64 1HD PRO 64 9.631 10.086 -10.248 486 HD3 PRO 64 2HD PRO 64 10.970 10.957 -9.474 487 H ASP 65 H ASP 65 7.487 9.460 -8.783 488 HA ASP 65 HA ASP 65 4.912 9.970 -7.737 489 HB2 ASP 65 1HB ASP 65 5.558 7.488 -9.298 490 HB3 ASP 65 2HB ASP 65 4.110 8.489 -9.355 491 H ILE 66 H ILE 66 7.302 7.482 -7.109 492 HA ILE 66 HA ILE 66 5.657 5.680 -5.707 493 HB ILE 66 HB ILE 66 8.621 6.201 -5.498 494 HG12 ILE 66 1HG1 ILE 66 7.070 3.956 -6.805 495 HG13 ILE 66 2HG1 ILE 66 7.770 5.326 -7.661 496 HG21 ILE 66 1HG2 ILE 66 8.842 4.198 -4.218 497 HG22 ILE 66 2HG2 ILE 66 7.653 5.222 -3.414 498 HG23 ILE 66 3HG2 ILE 66 7.121 3.843 -4.376 499 HD11 ILE 66 1HD1 ILE 66 9.942 4.592 -7.303 500 HD12 ILE 66 2HD1 ILE 66 9.467 3.526 -5.981 501 HD13 ILE 66 3HD1 ILE 66 9.048 3.110 -7.642 502 H HIS 67 H HIS 67 4.848 5.690 -3.705 503 HA HIS 67 HA HIS 67 5.889 7.657 -1.779 504 HB2 HIS 67 1HB HIS 67 2.969 6.980 -2.191 505 HB3 HIS 67 2HB HIS 67 3.618 8.125 -1.021 506 HD1 HIS 67 1HD HIS 67 5.166 10.093 -2.352 507 HD2 HIS 67 2HD HIS 67 2.055 8.239 -4.388 508 HE1 HIS 67 1HE HIS 67 4.594 11.635 -4.254 509 HE2 HIS 67 2HE HIS 67 2.653 10.533 -5.421 510 HA PRO 68 HA PRO 68 6.197 4.223 0.959 511 HB2 PRO 68 1HB PRO 68 6.245 5.567 3.317 512 HB3 PRO 68 2HB PRO 68 7.615 5.536 2.201 513 HG2 PRO 68 1HG PRO 68 5.533 7.652 2.585 514 HG3 PRO 68 2HG PRO 68 7.284 7.831 2.372 515 HD2 PRO 68 1HD PRO 68 5.523 8.220 0.352 516 HD3 PRO 68 2HD PRO 68 7.158 7.582 0.084 517 H VAL 69 H VAL 69 4.990 3.010 2.451 518 HA VAL 69 HA VAL 69 2.273 2.946 2.221 519 HB VAL 69 HB VAL 69 4.059 2.019 4.449 520 HG11 VAL 69 1HG1 VAL 69 2.049 0.769 5.313 521 HG12 VAL 69 2HG1 VAL 69 2.050 2.508 5.613 522 HG13 VAL 69 3HG1 VAL 69 1.058 1.835 4.319 523 HG21 VAL 69 1HG2 VAL 69 3.300 0.991 1.952 524 HG22 VAL 69 2HG2 VAL 69 4.211 0.172 3.221 525 HG23 VAL 69 3HG2 VAL 69 2.455 0.019 3.157 526 H GLY 70 H GLY 70 4.172 5.000 4.303 527 HA2 GLY 70 1HA GLY 70 1.752 5.956 5.663 528 HA3 GLY 70 2HA GLY 70 3.407 6.295 6.149 529 H TRP 71 H TRP 71 1.812 6.658 2.995 530 HA TRP 71 HA TRP 71 2.793 9.409 2.891 531 HB2 TRP 71 1HB TRP 71 3.309 8.079 0.950 532 HB3 TRP 71 2HB TRP 71 1.625 7.595 0.775 533 HD1 TRP 71 HD TRP 71 3.968 10.560 0.165 534 HE1 TRP 71 1HE TRP 71 2.802 12.214 -1.426 535 HE3 TRP 71 3HE TRP 71 -0.663 8.400 -0.002 536 HZ2 TRP 71 2HZ TRP 71 0.257 12.558 -2.596 537 HZ3 TRP 71 3HZ TRP 71 -2.407 9.455 -1.380 538 HH2 TRP 71 HH TRP 71 -1.955 11.491 -2.650 539 H CYS 72 H CYS 72 -0.237 7.640 2.258 540 HA CYS 72 HA CYS 72 -2.012 9.560 1.711 541 HB2 CYS 72 1HB CYS 72 -3.726 8.290 2.887 542 HB3 CYS 72 2HB CYS 72 -2.610 7.193 2.083 543 HG CYS 72 HG CYS 72 -1.776 5.932 4.186 544 H SER 73 H SER 73 -0.621 8.990 4.903 545 HA SER 73 HA SER 73 -2.205 10.959 6.228 546 HB2 SER 73 1HB SER 73 -0.433 10.696 8.042 547 HB3 SER 73 2HB SER 73 -1.307 9.231 7.594 548 HG SER 73 HG SER 73 0.455 8.563 6.408 549 H LYS 74 H LYS 74 1.305 10.914 5.588 550 HA LYS 74 HA LYS 74 2.084 13.380 6.224 551 HB2 LYS 74 1HB LYS 74 2.772 11.690 3.857 552 HB3 LYS 74 2HB LYS 74 3.429 13.319 3.953 553 HG2 LYS 74 1HG LYS 74 4.763 12.827 5.742 554 HG3 LYS 74 2HG LYS 74 3.703 11.539 6.319 555 HD2 LYS 74 1HD LYS 74 5.607 10.437 5.491 556 HD3 LYS 74 2HD LYS 74 4.392 10.260 4.223 557 HE2 LYS 74 1HE LYS 74 6.282 10.876 3.033 558 HE3 LYS 74 2HE LYS 74 5.446 12.412 3.248 559 HZ1 LYS 74 1HZ LYS 74 7.015 12.252 5.448 560 HZ2 LYS 74 2HZ LYS 74 7.384 13.126 4.048 561 HZ3 LYS 74 3HZ LYS 74 7.998 11.563 4.256 562 H THR 75 H THR 75 0.964 12.781 2.890 563 HA THR 75 HA THR 75 0.490 15.569 2.435 564 HB THR 75 HB THR 75 -0.393 14.873 0.251 565 HG1 THR 75 1HG THR 75 -1.414 12.951 0.696 566 HG21 THR 75 1HG2 THR 75 1.660 13.610 -0.534 567 HG22 THR 75 2HG2 THR 75 2.177 13.585 1.152 568 HG23 THR 75 3HG2 THR 75 1.964 15.124 0.317 569 H GLY 76 H GLY 76 -1.358 12.968 3.701 570 HA2 GLY 76 1HA GLY 76 -3.466 12.983 4.637 571 HA3 GLY 76 2HA GLY 76 -3.573 14.695 4.254 572 H HIS 77 H HIS 77 -2.936 12.176 1.892 573 HA HIS 77 HA HIS 77 -5.415 12.927 0.523 574 HB2 HIS 77 1HB HIS 77 -2.787 11.835 -0.349 575 HB3 HIS 77 2HB HIS 77 -4.206 11.381 -1.289 576 HD1 HIS 77 1HD HIS 77 -5.714 14.091 -1.170 577 HD2 HIS 77 2HD HIS 77 -1.674 13.666 -2.042 578 HE1 HIS 77 1HE HIS 77 -5.086 16.150 -2.469 579 HE2 HIS 77 2HE HIS 77 -2.658 15.831 -3.059 580 HA PRO 78 HA PRO 78 -7.437 9.135 1.427 581 HB2 PRO 78 1HB PRO 78 -8.973 8.850 -0.793 582 HB3 PRO 78 2HB PRO 78 -9.307 10.052 0.458 583 HG2 PRO 78 1HG PRO 78 -7.934 10.394 -2.180 584 HG3 PRO 78 2HG PRO 78 -9.138 11.438 -1.401 585 HD2 PRO 78 1HD PRO 78 -6.487 11.988 -1.358 586 HD3 PRO 78 2HD PRO 78 -7.575 12.427 -0.026 587 H LEU 79 H LEU 79 -7.332 6.940 1.031 588 HA LEU 79 HA LEU 79 -5.620 6.113 -1.220 589 HB2 LEU 79 1HB LEU 79 -4.583 5.906 1.035 590 HB3 LEU 79 2HB LEU 79 -5.859 4.769 1.467 591 HG LEU 79 HG LEU 79 -5.046 3.291 -0.388 592 HD11 LEU 79 1HD1 LEU 79 -3.669 5.488 -1.221 593 HD12 LEU 79 2HD1 LEU 79 -3.331 3.831 -1.720 594 HD13 LEU 79 3HD1 LEU 79 -2.410 4.561 -0.405 595 HD21 LEU 79 1HD2 LEU 79 -3.396 3.981 2.009 596 HD22 LEU 79 2HD2 LEU 79 -2.858 2.730 0.888 597 HD23 LEU 79 3HD2 LEU 79 -4.408 2.567 1.715 598 H GLN 80 H GLN 80 -6.096 4.135 -2.243 599 HA GLN 80 HA GLN 80 -8.874 3.247 -1.853 600 HB2 GLN 80 1HB GLN 80 -7.117 3.092 -4.308 601 HB3 GLN 80 2HB GLN 80 -8.752 2.453 -4.199 602 HG2 GLN 80 1HG GLN 80 -7.939 5.341 -3.970 603 HG3 GLN 80 2HG GLN 80 -8.760 4.580 -5.332 604 HE21 GLN 80 1HE2 GLN 80 -9.571 6.820 -3.624 605 HE22 GLN 80 2HE2 GLN 80 -11.105 6.376 -2.964 606 HA PRO 81 HA PRO 81 -7.264 -0.620 -0.433 607 HB2 PRO 81 1HB PRO 81 -9.586 -2.023 -0.551 608 HB3 PRO 81 2HB PRO 81 -9.244 -0.836 0.714 609 HG2 PRO 81 1HG PRO 81 -10.873 -0.531 -1.779 610 HG3 PRO 81 2HG PRO 81 -11.224 0.037 -0.136 611 HD2 PRO 81 1HD PRO 81 -10.248 1.668 -2.065 612 HD3 PRO 81 2HD PRO 81 -9.855 1.880 -0.346 613 HA PRO 82 HA PRO 82 -6.381 -2.918 -4.094 614 HB2 PRO 82 1HB PRO 82 -5.680 -5.284 -2.963 615 HB3 PRO 82 2HB PRO 82 -4.646 -3.852 -2.911 616 HG2 PRO 82 1HG PRO 82 -6.488 -4.936 -0.815 617 HG3 PRO 82 2HG PRO 82 -4.846 -4.291 -0.636 618 HD2 PRO 82 1HD PRO 82 -7.054 -2.837 -0.052 619 HD3 PRO 82 2HD PRO 82 -5.566 -2.102 -0.682 620 H LEU 83 H LEU 83 -6.855 -5.196 -5.016 621 HA LEU 83 HA LEU 83 -9.624 -5.477 -5.318 622 HB2 LEU 83 1HB LEU 83 -7.234 -7.049 -6.098 623 HB3 LEU 83 2HB LEU 83 -8.796 -7.864 -6.162 624 HG LEU 83 HG LEU 83 -9.526 -5.830 -7.591 625 HD11 LEU 83 1HD1 LEU 83 -6.747 -5.249 -7.148 626 HD12 LEU 83 2HD1 LEU 83 -7.986 -4.272 -7.936 627 HD13 LEU 83 3HD1 LEU 83 -7.070 -5.454 -8.870 628 HD21 LEU 83 1HD2 LEU 83 -9.380 -8.068 -8.472 629 HD22 LEU 83 2HD2 LEU 83 -7.625 -7.941 -8.604 630 HD23 LEU 83 3HD2 LEU 83 -8.661 -6.943 -9.625 631 H SER 84 H SER 84 -11.020 -7.220 -4.715 632 HA SER 84 HA SER 84 -11.197 -7.780 -2.054 633 HB2 SER 84 1HB SER 84 -12.239 -9.181 -4.484 634 HB3 SER 84 2HB SER 84 -12.460 -9.936 -2.906 635 HG SER 84 HG SER 84 -13.194 -7.256 -3.456 636 HA PRO 85 HA PRO 85 -8.225 -10.810 -0.943 637 HB2 PRO 85 1HB PRO 85 -9.605 -12.314 0.847 638 HB3 PRO 85 2HB PRO 85 -9.046 -10.674 1.199 639 HG2 PRO 85 1HG PRO 85 -11.762 -11.610 0.357 640 HG3 PRO 85 2HG PRO 85 -11.323 -10.421 1.597 641 HD2 PRO 85 1HD PRO 85 -12.171 -9.705 -0.873 642 HD3 PRO 85 2HD PRO 85 -11.001 -8.742 0.051 643 H LEU 86 H LEU 86 -10.924 -11.597 -2.745 644 HA LEU 86 HA LEU 86 -10.177 -14.434 -2.937 645 HB2 LEU 86 1HB LEU 86 -12.341 -14.834 -3.888 646 HB3 LEU 86 2HB LEU 86 -12.528 -13.928 -2.388 647 HG LEU 86 HG LEU 86 -12.592 -11.874 -4.058 648 HD11 LEU 86 1HD1 LEU 86 -14.085 -13.707 -5.808 649 HD12 LEU 86 2HD1 LEU 86 -12.328 -13.826 -5.902 650 HD13 LEU 86 3HD1 LEU 86 -13.124 -12.282 -6.204 651 HD21 LEU 86 1HD2 LEU 86 -15.079 -13.513 -3.968 652 HD22 LEU 86 2HD2 LEU 86 -14.852 -11.788 -3.677 653 HD23 LEU 86 3HD2 LEU 86 -14.362 -12.961 -2.454 654 H GLU 87 H GLU 87 -10.480 -11.453 -4.727 655 HA GLU 87 HA GLU 87 -10.288 -12.462 -7.336 656 HB2 GLU 87 1HB GLU 87 -9.287 -9.828 -6.241 657 HB3 GLU 87 2HB GLU 87 -9.492 -10.205 -7.946 658 HG2 GLU 87 1HG GLU 87 -11.815 -10.473 -6.100 659 HG3 GLU 87 2HG GLU 87 -11.318 -8.874 -6.652 660 H LEU 88 H LEU 88 -7.892 -11.971 -4.863 661 HA LEU 88 HA LEU 88 -5.592 -12.020 -6.508 662 HB2 LEU 88 1HB LEU 88 -4.348 -12.354 -4.507 663 HB3 LEU 88 2HB LEU 88 -5.666 -11.241 -4.148 664 HG LEU 88 HG LEU 88 -6.850 -13.469 -3.347 665 HD11 LEU 88 1HD1 LEU 88 -3.983 -14.158 -3.555 666 HD12 LEU 88 2HD1 LEU 88 -5.411 -15.187 -3.655 667 HD13 LEU 88 3HD1 LEU 88 -4.818 -14.654 -2.082 668 HD21 LEU 88 1HD2 LEU 88 -4.988 -11.601 -1.978 669 HD22 LEU 88 2HD2 LEU 88 -5.553 -13.014 -1.086 670 HD23 LEU 88 3HD2 LEU 88 -6.716 -11.859 -1.738 671 H MET 89 H MET 89 -7.492 -14.544 -4.948 672 HA MET 89 HA MET 89 -5.777 -16.707 -5.323 673 HB2 MET 89 1HB MET 89 -8.740 -16.418 -5.059 674 HB3 MET 89 2HB MET 89 -8.077 -17.981 -5.516 675 HG2 MET 89 1HG MET 89 -8.238 -18.144 -3.224 676 HG3 MET 89 2HG MET 89 -6.554 -17.686 -3.462 677 HE1 MET 89 1HE MET 89 -8.611 -17.689 -1.097 678 HE2 MET 89 2HE MET 89 -8.609 -16.143 -0.248 679 HE3 MET 89 3HE MET 89 -9.872 -16.501 -1.427 680 H GLU 90 H GLU 90 -8.272 -15.396 -7.484 681 HA GLU 90 HA GLU 90 -8.244 -17.233 -9.511 682 HB2 GLU 90 1HB GLU 90 -9.710 -15.254 -9.455 683 HB3 GLU 90 2HB GLU 90 -8.333 -14.228 -9.832 684 HG2 GLU 90 1HG GLU 90 -8.173 -15.028 -12.010 685 HG3 GLU 90 2HG GLU 90 -9.127 -16.466 -11.651 686 H ALA 91 H ALA 91 -6.075 -14.421 -9.226 687 HA ALA 91 HA ALA 91 -4.478 -15.235 -11.465 688 HB1 ALA 91 1HB ALA 91 -3.063 -13.377 -9.862 689 HB2 ALA 91 2HB ALA 91 -3.896 -13.097 -11.391 690 HB3 ALA 91 3HB ALA 91 -4.761 -12.903 -9.867 691 H SER 92 H SER 92 -2.554 -16.292 -11.492 692 HA SER 92 HA SER 92 -1.011 -16.772 -9.129 693 HB2 SER 92 1HB SER 92 -2.888 -18.421 -8.881 694 HB3 SER 92 2HB SER 92 -2.355 -19.175 -10.383 695 HG SER 92 HG SER 92 -1.537 -19.956 -8.188 696 H GLU 93 H GLU 93 1.057 -17.381 -9.606 697 HA GLU 93 HA GLU 93 1.685 -17.627 -12.465 698 HB2 GLU 93 1HB GLU 93 2.687 -15.751 -11.080 699 HB3 GLU 93 2HB GLU 93 3.613 -16.984 -10.235 700 HG2 GLU 93 1HG GLU 93 5.090 -16.226 -11.838 701 HG3 GLU 93 2HG GLU 93 4.420 -17.681 -12.574 702 H HIS 94 H HIS 94 2.405 -19.491 -13.252 703 HA HIS 94 HA HIS 94 2.811 -21.760 -13.258 704 HB2 HIS 94 1HB HIS 94 5.071 -22.273 -12.416 705 HB3 HIS 94 2HB HIS 94 5.043 -20.772 -13.337 706 HD1 HIS 94 1HD HIS 94 4.567 -21.625 -9.648 707 HD2 HIS 94 2HD HIS 94 6.576 -18.939 -12.100 708 HE1 HIS 94 1HE HIS 94 5.847 -20.121 -8.091 709 HE2 HIS 94 2HE HIS 94 6.987 -18.451 -9.593 710 H GLY 95 H GLY 95 0.920 -21.097 -11.254 711 HA2 GLY 95 1HA GLY 95 1.702 -22.626 -8.892 712 HA3 GLY 95 2HA GLY 95 0.217 -21.707 -9.092 713 H GLY 96 H GLY 96 1.507 -24.765 -8.935 714 HA2 GLY 96 1HA GLY 96 -0.988 -26.018 -9.451 715 HA3 GLY 96 2HA GLY 96 0.105 -26.265 -10.804 716 H CYS 97 H CYS 97 0.513 -26.256 -7.262 717 HA CYS 97 HA CYS 97 2.183 -28.627 -7.475 718 HB2 CYS 97 1HB CYS 97 1.491 -26.821 -5.154 719 HB3 CYS 97 2HB CYS 97 2.498 -28.255 -4.999 720 HG CYS 97 HG CYS 97 3.325 -25.217 -5.972 721 H SER 98 H SER 98 1.499 -30.629 -7.097 722 HA SER 98 HA SER 98 -1.107 -30.979 -5.765 723 HB2 SER 98 1HB SER 98 -1.311 -33.082 -7.096 724 HB3 SER 98 2HB SER 98 -1.252 -31.630 -8.095 725 HG SER 98 HG SER 98 0.924 -33.369 -7.543 726 H THR 99 H THR 99 0.064 -31.025 -3.735 727 HA THR 99 HA THR 99 1.782 -33.342 -3.285 728 HB THR 99 HB THR 99 1.934 -32.337 -0.931 729 HG1 THR 99 1HG THR 99 1.120 -29.924 -2.118 730 HG21 THR 99 1HG2 THR 99 3.746 -32.125 -2.522 731 HG22 THR 99 2HG2 THR 99 3.533 -30.594 -1.674 732 HG23 THR 99 3HG2 THR 99 2.930 -30.782 -3.320 733 HA PRO 100 HA PRO 100 -1.366 -35.830 -1.483 734 HB2 PRO 100 1HB PRO 100 0.139 -37.337 0.200 735 HB3 PRO 100 2HB PRO 100 0.152 -37.553 -1.554 736 HG2 PRO 100 1HG PRO 100 2.096 -36.087 0.188 737 HG3 PRO 100 2HG PRO 100 2.415 -37.174 -1.175 738 HD2 PRO 100 1HD PRO 100 2.503 -34.478 -1.411 739 HD3 PRO 100 2HD PRO 100 1.996 -35.537 -2.743 740 H GLY 101 H GLY 101 -2.481 -34.147 -0.346 741 HA2 GLY 101 1HA GLY 101 -2.545 -34.530 2.467 742 HA3 GLY 101 2HA GLY 101 -1.750 -33.011 2.078 743 H SER 102 H SER 102 -2.954 -31.269 1.518 744 HA SER 102 HA SER 102 -5.851 -31.580 1.750 745 HB2 SER 102 1HB SER 102 -5.911 -29.175 2.110 746 HB3 SER 102 2HB SER 102 -4.689 -29.892 3.161 747 HG SER 102 HG SER 102 -4.058 -27.941 1.973 748 H GLY 103 H GLY 103 -7.301 -30.912 0.192 749 HA2 GLY 103 1HA GLY 103 -6.882 -29.390 -2.051 750 HA3 GLY 103 2HA GLY 103 -6.361 -31.004 -2.512 751 HA PRO 104 HA PRO 104 -10.493 -32.053 -3.523 752 HB2 PRO 104 1HB PRO 104 -10.513 -34.712 -2.975 753 HB3 PRO 104 2HB PRO 104 -9.662 -34.024 -4.363 754 HG2 PRO 104 1HG PRO 104 -8.578 -34.854 -1.699 755 HG3 PRO 104 2HG PRO 104 -7.903 -35.127 -3.316 756 HD2 PRO 104 1HD PRO 104 -7.008 -33.167 -1.676 757 HD3 PRO 104 2HD PRO 104 -7.019 -33.002 -3.443 758 H SER 105 H SER 105 -9.303 -32.444 -0.330 759 HA SER 105 HA SER 105 -11.354 -33.627 1.058 760 HB2 SER 105 1HB SER 105 -10.650 -32.283 2.998 761 HB3 SER 105 2HB SER 105 -9.257 -32.903 2.112 762 HG SER 105 HG SER 105 -8.938 -30.728 2.583 763 H SER 106 H SER 106 -13.133 -32.763 2.281 764 HA SER 106 HA SER 106 -14.522 -30.652 0.809 765 HB2 SER 106 1HB SER 106 -15.622 -32.881 1.217 766 HB3 SER 106 2HB SER 106 -15.648 -32.486 2.936 767 HG SER 106 HG SER 106 -17.324 -31.690 0.984 768 H GLY 107 H GLY 107 -15.661 -28.968 1.932 769 HA2 GLY 107 1HA GLY 107 -16.123 -27.675 3.880 770 HA3 GLY 107 2HA GLY 107 -14.769 -28.455 4.683 Start of MODEL 15 1 H1 GLY 1 H GLY 1 17.472 -20.967 3.053 2 HA2 GLY 1 1HA GLY 1 18.383 -18.415 2.186 3 HA3 GLY 1 2HA GLY 1 17.931 -18.850 3.828 4 H SER 2 H SER 2 19.889 -17.175 3.824 5 HA SER 2 HA SER 2 22.238 -18.791 4.482 6 HB2 SER 2 1HB SER 2 22.168 -16.476 2.561 7 HB3 SER 2 2HB SER 2 23.640 -16.871 3.449 8 HG SER 2 HG SER 2 22.249 -18.418 1.544 9 H SER 3 H SER 3 23.959 -17.199 5.504 10 HA SER 3 HA SER 3 22.851 -16.252 7.899 11 HB2 SER 3 1HB SER 3 25.530 -16.089 6.598 12 HB3 SER 3 2HB SER 3 25.206 -15.012 7.956 13 HG SER 3 HG SER 3 25.693 -17.682 7.947 14 H GLY 4 H GLY 4 23.212 -13.970 8.731 15 HA2 GLY 4 1HA GLY 4 22.109 -12.113 6.737 16 HA3 GLY 4 2HA GLY 4 21.958 -11.951 8.481 17 H SER 5 H SER 5 24.247 -11.752 5.795 18 HA SER 5 HA SER 5 26.519 -10.865 6.978 19 HB2 SER 5 1HB SER 5 26.069 -11.133 4.492 20 HB3 SER 5 2HB SER 5 25.385 -9.509 4.528 21 HG SER 5 HG SER 5 27.485 -8.894 5.487 22 H SER 6 H SER 6 27.019 -9.292 8.340 23 HA SER 6 HA SER 6 25.177 -7.025 8.620 24 HB2 SER 6 1HB SER 6 27.241 -8.208 10.481 25 HB3 SER 6 2HB SER 6 26.450 -6.664 10.795 26 HG SER 6 HG SER 6 25.540 -8.882 11.570 27 H GLY 7 H GLY 7 25.887 -5.715 6.938 28 HA2 GLY 7 1HA GLY 7 27.565 -3.692 7.288 29 HA3 GLY 7 2HA GLY 7 28.703 -4.956 6.845 30 H VAL 8 H VAL 8 25.443 -4.254 5.619 31 HA VAL 8 HA VAL 8 26.634 -3.926 2.941 32 HB VAL 8 HB VAL 8 24.593 -4.829 1.976 33 HG11 VAL 8 1HG1 VAL 8 26.483 -6.326 2.707 34 HG12 VAL 8 2HG1 VAL 8 25.518 -6.717 4.131 35 HG13 VAL 8 3HG1 VAL 8 24.917 -7.114 2.521 36 HG21 VAL 8 1HG2 VAL 8 23.250 -4.025 4.078 37 HG22 VAL 8 2HG2 VAL 8 22.705 -5.421 3.148 38 HG23 VAL 8 3HG2 VAL 8 23.584 -5.657 4.658 39 H LYS 9 H LYS 9 25.066 -2.730 1.426 40 HA LYS 9 HA LYS 9 23.602 -0.608 2.817 41 HB2 LYS 9 1HB LYS 9 25.641 -0.071 0.650 42 HB3 LYS 9 2HB LYS 9 24.657 1.129 1.477 43 HG2 LYS 9 1HG LYS 9 26.631 1.347 2.603 44 HG3 LYS 9 2HG LYS 9 25.813 0.156 3.616 45 HD2 LYS 9 1HD LYS 9 27.085 -1.617 2.746 46 HD3 LYS 9 2HD LYS 9 27.628 -0.661 1.366 47 HE2 LYS 9 1HE LYS 9 29.218 0.445 2.585 48 HE3 LYS 9 2HE LYS 9 28.323 0.290 4.096 49 HZ1 LYS 9 1HZ LYS 9 29.169 -1.767 4.496 50 HZ2 LYS 9 2HZ LYS 9 30.467 -1.121 3.626 51 HZ3 LYS 9 3HZ LYS 9 29.364 -2.149 2.860 52 HA PRO 10 HA PRO 10 20.628 -1.338 -0.345 53 HB2 PRO 10 1HB PRO 10 19.268 1.008 -0.210 54 HB3 PRO 10 2HB PRO 10 19.131 -0.254 1.021 55 HG2 PRO 10 1HG PRO 10 20.771 2.250 1.049 56 HG3 PRO 10 2HG PRO 10 19.797 1.536 2.347 57 HD2 PRO 10 1HD PRO 10 22.488 1.258 2.224 58 HD3 PRO 10 2HD PRO 10 21.428 0.004 2.900 59 HA PRO 11 HA PRO 11 22.352 0.472 -3.998 60 HB2 PRO 11 1HB PRO 11 20.423 -0.308 -5.743 61 HB3 PRO 11 2HB PRO 11 21.629 -1.420 -5.083 62 HG2 PRO 11 1HG PRO 11 18.792 -0.982 -4.234 63 HG3 PRO 11 2HG PRO 11 19.678 -2.505 -4.432 64 HD2 PRO 11 1HD PRO 11 19.270 -1.360 -2.012 65 HD3 PRO 11 2HD PRO 11 20.724 -2.308 -2.387 66 H HIS 12 H HIS 12 18.896 0.942 -3.314 67 HA HIS 12 HA HIS 12 19.167 3.712 -4.259 68 HB2 HIS 12 1HB HIS 12 16.610 3.295 -4.904 69 HB3 HIS 12 2HB HIS 12 17.924 2.978 -6.033 70 HD1 HIS 12 1HD HIS 12 15.832 1.076 -3.491 71 HD2 HIS 12 2HD HIS 12 17.927 0.456 -7.025 72 HE1 HIS 12 1HE HIS 12 15.370 -1.310 -4.136 73 HE2 HIS 12 2HE HIS 12 16.716 -1.688 -6.231 74 H GLY 13 H GLY 13 17.336 1.404 -2.296 75 HA2 GLY 13 1HA GLY 13 17.156 2.293 0.091 76 HA3 GLY 13 2HA GLY 13 16.356 3.661 -0.669 77 H PHE 14 H PHE 14 15.974 0.301 -1.639 78 HA PHE 14 HA PHE 14 13.312 0.237 -0.419 79 HB2 PHE 14 1HB PHE 14 13.923 -0.177 -3.345 80 HB3 PHE 14 2HB PHE 14 12.441 -0.758 -2.593 81 HD1 PHE 14 1HD PHE 14 14.447 2.373 -2.884 82 HD2 PHE 14 2HD PHE 14 10.587 0.591 -2.672 83 HE1 PHE 14 1HE PHE 14 13.413 4.579 -3.231 84 HE2 PHE 14 2HE PHE 14 9.547 2.794 -3.019 85 HZ PHE 14 HZ PHE 14 10.961 4.791 -3.300 86 H GLN 15 H GLN 15 12.422 -1.893 -0.202 87 HA GLN 15 HA GLN 15 14.414 -4.047 -0.452 88 HB2 GLN 15 1HB GLN 15 12.637 -3.354 1.871 89 HB3 GLN 15 2HB GLN 15 13.252 -4.987 1.654 90 HG2 GLN 15 1HG GLN 15 15.177 -2.724 1.588 91 HG3 GLN 15 2HG GLN 15 14.512 -3.228 3.141 92 HE21 GLN 15 1HE2 GLN 15 16.525 -3.934 3.856 93 HE22 GLN 15 2HE2 GLN 15 17.247 -5.390 3.271 94 H LYS 16 H LYS 16 13.249 -6.259 -0.094 95 HA LYS 16 HA LYS 16 10.939 -6.271 -1.904 96 HB2 LYS 16 1HB LYS 16 13.071 -8.275 -1.252 97 HB3 LYS 16 2HB LYS 16 11.539 -8.814 -1.927 98 HG2 LYS 16 1HG LYS 16 11.928 -7.828 -3.959 99 HG3 LYS 16 2HG LYS 16 13.015 -6.612 -3.283 100 HD2 LYS 16 1HD LYS 16 13.722 -9.534 -3.346 101 HD3 LYS 16 2HD LYS 16 14.064 -8.456 -4.702 102 HE2 LYS 16 1HE LYS 16 15.396 -7.028 -3.242 103 HE3 LYS 16 2HE LYS 16 15.028 -8.072 -1.869 104 HZ1 LYS 16 1HZ LYS 16 16.470 -9.648 -2.562 105 HZ2 LYS 16 2HZ LYS 16 17.224 -8.328 -3.304 106 HZ3 LYS 16 3HZ LYS 16 16.216 -9.344 -4.207 107 H LYS 17 H LYS 17 9.169 -7.724 -1.480 108 HA LYS 17 HA LYS 17 7.548 -8.662 -0.187 109 HB2 LYS 17 1HB LYS 17 9.623 -9.063 1.961 110 HB3 LYS 17 2HB LYS 17 8.158 -9.995 1.683 111 HG2 LYS 17 1HG LYS 17 9.159 -10.733 -0.497 112 HG3 LYS 17 2HG LYS 17 10.666 -9.975 0.025 113 HD2 LYS 17 1HD LYS 17 9.332 -11.887 1.875 114 HD3 LYS 17 2HD LYS 17 10.177 -12.536 0.468 115 HE2 LYS 17 1HE LYS 17 12.199 -11.298 1.154 116 HE3 LYS 17 2HE LYS 17 11.345 -10.737 2.590 117 HZ1 LYS 17 1HZ LYS 17 11.717 -13.609 1.966 118 HZ2 LYS 17 2HZ LYS 17 11.219 -12.922 3.428 119 HZ3 LYS 17 3HZ LYS 17 12.815 -12.726 2.903 120 H MET 18 H MET 18 8.351 -5.794 0.017 121 HA MET 18 HA MET 18 7.244 -5.213 2.684 122 HB2 MET 18 1HB MET 18 8.422 -3.167 2.710 123 HB3 MET 18 2HB MET 18 9.573 -4.358 2.118 124 HG2 MET 18 1HG MET 18 9.234 -3.612 -0.152 125 HG3 MET 18 2HG MET 18 7.988 -2.484 0.378 126 HE1 MET 18 1HE MET 18 10.534 -0.825 -1.255 127 HE2 MET 18 2HE MET 18 8.834 -0.748 -0.793 128 HE3 MET 18 3HE MET 18 9.982 0.416 -0.130 129 H LYS 19 H LYS 19 6.086 -2.993 2.689 130 HA LYS 19 HA LYS 19 4.259 -2.936 0.379 131 HB2 LYS 19 1HB LYS 19 3.799 -2.368 3.302 132 HB3 LYS 19 2HB LYS 19 2.671 -1.835 2.062 133 HG2 LYS 19 1HG LYS 19 3.484 -4.692 2.557 134 HG3 LYS 19 2HG LYS 19 1.987 -3.940 3.113 135 HD2 LYS 19 1HD LYS 19 1.776 -3.342 0.536 136 HD3 LYS 19 2HD LYS 19 2.805 -4.767 0.377 137 HE2 LYS 19 1HE LYS 19 0.565 -5.525 0.221 138 HE3 LYS 19 2HE LYS 19 1.143 -5.989 1.821 139 HZ1 LYS 19 1HZ LYS 19 0.080 -3.583 2.311 140 HZ2 LYS 19 2HZ LYS 19 -0.757 -5.041 2.492 141 HZ3 LYS 19 3HZ LYS 19 -0.945 -4.129 1.080 142 H LEU 20 H LEU 20 3.646 -0.963 -0.499 143 HA LEU 20 HA LEU 20 4.514 1.533 0.591 144 HB2 LEU 20 1HB LEU 20 6.288 2.067 -0.717 145 HB3 LEU 20 2HB LEU 20 6.527 0.324 -0.622 146 HG LEU 20 HG LEU 20 5.063 0.408 -2.849 147 HD11 LEU 20 1HD1 LEU 20 6.200 2.448 -4.092 148 HD12 LEU 20 2HD1 LEU 20 6.134 3.150 -2.476 149 HD13 LEU 20 3HD1 LEU 20 4.652 2.608 -3.262 150 HD21 LEU 20 1HD2 LEU 20 7.089 0.169 -4.075 151 HD22 LEU 20 2HD2 LEU 20 7.362 -0.525 -2.476 152 HD23 LEU 20 3HD2 LEU 20 8.000 1.073 -2.865 153 H GLU 21 H GLU 21 3.427 3.241 -0.295 154 HA GLU 21 HA GLU 21 1.236 2.590 -2.055 155 HB2 GLU 21 1HB GLU 21 2.064 5.191 -0.756 156 HB3 GLU 21 2HB GLU 21 0.605 4.982 -1.715 157 HG2 GLU 21 1HG GLU 21 -0.137 3.245 -0.105 158 HG3 GLU 21 2HG GLU 21 1.268 3.628 0.887 159 H VAL 22 H VAL 22 1.445 2.569 -4.185 160 HA VAL 22 HA VAL 22 3.420 4.358 -5.437 161 HB VAL 22 HB VAL 22 2.221 1.771 -6.429 162 HG11 VAL 22 1HG1 VAL 22 2.429 2.806 -8.440 163 HG12 VAL 22 2HG1 VAL 22 3.644 3.944 -7.854 164 HG13 VAL 22 3HG1 VAL 22 4.103 2.286 -8.246 165 HG21 VAL 22 1HG2 VAL 22 3.990 1.494 -4.782 166 HG22 VAL 22 2HG2 VAL 22 4.547 0.987 -6.377 167 HG23 VAL 22 3HG2 VAL 22 5.050 2.545 -5.722 168 H VAL 23 H VAL 23 2.857 5.604 -7.220 169 HA VAL 23 HA VAL 23 0.053 6.327 -7.352 170 HB VAL 23 HB VAL 23 2.508 7.500 -8.657 171 HG11 VAL 23 1HG1 VAL 23 -0.312 8.558 -8.801 172 HG12 VAL 23 2HG1 VAL 23 1.127 9.252 -9.550 173 HG13 VAL 23 3HG1 VAL 23 0.501 7.701 -10.110 174 HG21 VAL 23 1HG2 VAL 23 0.757 9.026 -6.820 175 HG22 VAL 23 2HG2 VAL 23 1.751 7.755 -6.109 176 HG23 VAL 23 3HG2 VAL 23 2.510 9.066 -7.012 177 H ASP 24 H ASP 24 -1.305 5.399 -8.721 178 HA ASP 24 HA ASP 24 -0.689 3.529 -10.650 179 HB2 ASP 24 1HB ASP 24 -2.978 4.175 -9.651 180 HB3 ASP 24 2HB ASP 24 -3.054 5.366 -10.946 181 H LYS 25 H LYS 25 -0.059 3.555 -12.730 182 HA LYS 25 HA LYS 25 1.031 5.939 -13.827 183 HB2 LYS 25 1HB LYS 25 0.488 3.508 -15.490 184 HB3 LYS 25 2HB LYS 25 1.861 4.606 -15.543 185 HG2 LYS 25 1HG LYS 25 1.292 2.475 -13.501 186 HG3 LYS 25 2HG LYS 25 2.624 2.541 -14.657 187 HD2 LYS 25 1HD LYS 25 2.206 4.606 -12.505 188 HD3 LYS 25 2HD LYS 25 3.200 3.165 -12.280 189 HE2 LYS 25 1HE LYS 25 3.636 5.100 -14.541 190 HE3 LYS 25 2HE LYS 25 4.405 5.295 -12.966 191 HZ1 LYS 25 1HZ LYS 25 4.729 2.648 -13.956 192 HZ2 LYS 25 2HZ LYS 25 5.906 3.764 -13.476 193 HZ3 LYS 25 3HZ LYS 25 5.322 3.781 -15.063 194 H ARG 26 H ARG 26 -1.907 4.085 -14.434 195 HA ARG 26 HA ARG 26 -2.735 5.518 -16.729 196 HB2 ARG 26 1HB ARG 26 -4.653 4.230 -14.808 197 HB3 ARG 26 2HB ARG 26 -4.761 4.353 -16.559 198 HG2 ARG 26 1HG ARG 26 -2.841 2.623 -15.014 199 HG3 ARG 26 2HG ARG 26 -4.277 2.079 -15.885 200 HD2 ARG 26 1HD ARG 26 -2.315 1.663 -17.226 201 HD3 ARG 26 2HD ARG 26 -3.286 2.927 -17.980 202 HE ARG 26 HE ARG 26 -1.191 3.909 -16.264 203 HH11 ARG 26 2HH1 ARG 26 -2.040 2.896 -19.484 204 HH12 ARG 26 1HH1 ARG 26 -0.765 3.791 -20.242 205 HH21 ARG 26 2HH2 ARG 26 0.491 5.092 -17.250 206 HH22 ARG 26 1HH2 ARG 26 0.675 5.040 -18.970 207 H ASN 27 H ASN 27 -3.293 5.964 -13.277 208 HA ASN 27 HA ASN 27 -4.287 8.660 -13.849 209 HB2 ASN 27 1HB ASN 27 -5.745 6.479 -12.473 210 HB3 ASN 27 2HB ASN 27 -5.821 8.063 -11.705 211 HD21 ASN 27 1HD2 ASN 27 -7.802 6.360 -13.188 212 HD22 ASN 27 2HD2 ASN 27 -8.478 7.421 -14.372 213 HA PRO 28 HA PRO 28 -1.032 9.166 -10.767 214 HB2 PRO 28 1HB PRO 28 -0.737 11.830 -11.201 215 HB3 PRO 28 2HB PRO 28 -0.010 10.601 -12.243 216 HG2 PRO 28 1HG PRO 28 -2.520 12.183 -12.646 217 HG3 PRO 28 2HG PRO 28 -1.247 11.785 -13.816 218 HD2 PRO 28 1HD PRO 28 -3.594 10.439 -13.702 219 HD3 PRO 28 2HD PRO 28 -2.071 9.663 -14.180 220 H MET 29 H MET 29 -4.226 10.154 -10.856 221 HA MET 29 HA MET 29 -4.049 11.750 -8.410 222 HB2 MET 29 1HB MET 29 -6.392 11.162 -10.228 223 HB3 MET 29 2HB MET 29 -6.465 12.177 -8.794 224 HG2 MET 29 1HG MET 29 -4.884 12.689 -11.299 225 HG3 MET 29 2HG MET 29 -6.303 13.567 -10.733 226 HE1 MET 29 1HE MET 29 -2.312 14.539 -10.696 227 HE2 MET 29 2HE MET 29 -3.692 14.435 -11.790 228 HE3 MET 29 3HE MET 29 -3.417 15.906 -10.855 229 H PHE 30 H PHE 30 -3.968 8.627 -8.982 230 HA PHE 30 HA PHE 30 -5.611 7.972 -6.633 231 HB2 PHE 30 1HB PHE 30 -5.501 6.551 -9.281 232 HB3 PHE 30 2HB PHE 30 -5.961 5.697 -7.811 233 HD1 PHE 30 2HD PHE 30 -6.795 8.843 -9.637 234 HD2 PHE 30 1HD PHE 30 -8.192 5.566 -7.308 235 HE1 PHE 30 2HE PHE 30 -9.106 9.646 -9.900 236 HE2 PHE 30 1HE PHE 30 -10.506 6.363 -7.567 237 HZ PHE 30 HZ PHE 30 -10.965 8.406 -8.864 238 H ILE 31 H ILE 31 -4.623 6.768 -5.120 239 HA ILE 31 HA ILE 31 -2.079 5.465 -5.825 240 HB ILE 31 HB ILE 31 -2.627 7.068 -3.324 241 HG12 ILE 31 1HG1 ILE 31 -0.395 7.607 -5.241 242 HG13 ILE 31 2HG1 ILE 31 -2.016 8.156 -5.651 243 HG21 ILE 31 1HG2 ILE 31 -0.555 6.413 -2.484 244 HG22 ILE 31 2HG2 ILE 31 -1.225 4.921 -3.141 245 HG23 ILE 31 3HG2 ILE 31 -0.004 5.813 -4.048 246 HD11 ILE 31 1HD1 ILE 31 -2.075 9.346 -3.459 247 HD12 ILE 31 2HD1 ILE 31 -0.372 8.930 -3.259 248 HD13 ILE 31 3HD1 ILE 31 -0.878 9.953 -4.603 249 H ARG 32 H ARG 32 -1.684 3.501 -4.897 250 HA ARG 32 HA ARG 32 -3.535 2.510 -2.859 251 HB2 ARG 32 1HB ARG 32 -2.895 0.884 -5.319 252 HB3 ARG 32 2HB ARG 32 -4.063 0.515 -4.057 253 HG2 ARG 32 1HG ARG 32 -5.580 2.100 -4.823 254 HG3 ARG 32 2HG ARG 32 -4.351 2.971 -5.742 255 HD2 ARG 32 1HD ARG 32 -5.416 1.870 -7.440 256 HD3 ARG 32 2HD ARG 32 -4.176 0.684 -7.033 257 HE ARG 32 HE ARG 32 -5.820 -0.734 -6.311 258 HH11 ARG 32 2HH1 ARG 32 -7.129 2.480 -6.592 259 HH12 ARG 32 1HH1 ARG 32 -8.764 1.980 -6.310 260 HH21 ARG 32 2HH2 ARG 32 -7.968 -1.405 -5.939 261 HH22 ARG 32 1HH2 ARG 32 -9.240 -0.230 -5.938 262 H VAL 33 H VAL 33 -2.797 0.237 -2.137 263 HA VAL 33 HA VAL 33 -0.087 0.460 -1.276 264 HB VAL 33 HB VAL 33 -2.092 -1.777 -0.983 265 HG11 VAL 33 1HG1 VAL 33 -0.282 -3.052 -0.592 266 HG12 VAL 33 2HG1 VAL 33 0.775 -1.660 -0.348 267 HG13 VAL 33 3HG1 VAL 33 -0.262 -2.222 0.963 268 HG21 VAL 33 1HG2 VAL 33 -1.803 0.703 0.316 269 HG22 VAL 33 2HG2 VAL 33 -2.877 -0.627 0.749 270 HG23 VAL 33 3HG2 VAL 33 -1.264 -0.529 1.456 271 H ALA 34 H ALA 34 1.684 -0.814 -1.790 272 HA ALA 34 HA ALA 34 1.407 -2.572 -4.134 273 HB1 ALA 34 1HB ALA 34 3.805 -0.807 -3.801 274 HB2 ALA 34 2HB ALA 34 3.214 -1.622 -5.249 275 HB3 ALA 34 3HB ALA 34 2.351 -0.224 -4.610 276 H THR 35 H THR 35 3.433 -3.932 -4.439 277 HA THR 35 HA THR 35 4.753 -4.568 -1.901 278 HB THR 35 HB THR 35 3.385 -6.632 -3.637 279 HG1 THR 35 1HG THR 35 2.254 -5.170 -1.917 280 HG21 THR 35 1HG2 THR 35 4.489 -8.256 -2.539 281 HG22 THR 35 2HG2 THR 35 4.392 -7.407 -0.996 282 HG23 THR 35 3HG2 THR 35 5.653 -6.989 -2.155 283 H VAL 36 H VAL 36 6.823 -4.199 -2.404 284 HA VAL 36 HA VAL 36 7.953 -4.410 -4.968 285 HB VAL 36 HB VAL 36 9.480 -4.638 -2.377 286 HG11 VAL 36 1HG1 VAL 36 11.203 -3.405 -3.733 287 HG12 VAL 36 2HG1 VAL 36 10.876 -5.059 -4.254 288 HG13 VAL 36 3HG1 VAL 36 10.193 -3.700 -5.148 289 HG21 VAL 36 1HG2 VAL 36 9.663 -2.136 -2.547 290 HG22 VAL 36 2HG2 VAL 36 8.375 -2.195 -3.750 291 HG23 VAL 36 3HG2 VAL 36 8.068 -2.743 -2.102 292 H ALA 37 H ALA 37 7.839 -6.307 -6.032 293 HA ALA 37 HA ALA 37 8.247 -8.834 -4.719 294 HB1 ALA 37 1HB ALA 37 8.276 -8.584 -7.685 295 HB2 ALA 37 2HB ALA 37 7.535 -9.815 -6.661 296 HB3 ALA 37 3HB ALA 37 6.782 -8.228 -6.817 297 H ASP 38 H ASP 38 10.036 -6.904 -7.110 298 HA ASP 38 HA ASP 38 12.502 -8.209 -6.226 299 HB2 ASP 38 1HB ASP 38 11.426 -9.181 -8.433 300 HB3 ASP 38 2HB ASP 38 12.147 -7.747 -9.159 301 H THR 39 H THR 39 14.342 -6.943 -6.382 302 HA THR 39 HA THR 39 13.868 -4.130 -7.125 303 HB THR 39 HB THR 39 15.566 -3.497 -5.473 304 HG1 THR 39 1HG THR 39 16.615 -4.994 -4.278 305 HG21 THR 39 1HG2 THR 39 14.226 -4.680 -3.435 306 HG22 THR 39 2HG2 THR 39 13.081 -4.907 -4.757 307 HG23 THR 39 3HG2 THR 39 13.628 -3.285 -4.333 308 H ASP 40 H ASP 40 14.975 -3.440 -8.823 309 HA ASP 40 HA ASP 40 17.250 -4.991 -9.786 310 HB2 ASP 40 1HB ASP 40 15.367 -3.021 -10.982 311 HB3 ASP 40 2HB ASP 40 16.986 -3.114 -11.670 312 H ASP 41 H ASP 41 18.839 -3.290 -11.050 313 HA ASP 41 HA ASP 41 20.575 -2.297 -9.195 314 HB2 ASP 41 1HB ASP 41 20.054 -1.324 -12.007 315 HB3 ASP 41 2HB ASP 41 21.418 -0.780 -11.034 316 H HIS 42 H HIS 42 18.391 -0.205 -11.093 317 HA HIS 42 HA HIS 42 18.212 1.569 -8.750 318 HB2 HIS 42 1HB HIS 42 18.121 2.643 -11.553 319 HB3 HIS 42 2HB HIS 42 18.480 3.494 -10.054 320 HD1 HIS 42 1HD HIS 42 20.891 3.772 -9.472 321 HD2 HIS 42 2HD HIS 42 20.298 0.902 -12.417 322 HE1 HIS 42 1HE HIS 42 23.191 3.131 -10.259 323 HE2 HIS 42 2HE HIS 42 22.804 1.456 -12.100 324 H ARG 43 H ARG 43 16.420 -0.549 -9.592 325 HA ARG 43 HA ARG 43 13.983 1.040 -9.761 326 HB2 ARG 43 1HB ARG 43 14.409 -1.316 -11.600 327 HB3 ARG 43 2HB ARG 43 13.036 -0.218 -11.569 328 HG2 ARG 43 1HG ARG 43 14.889 1.582 -12.069 329 HG3 ARG 43 2HG ARG 43 15.759 0.176 -12.687 330 HD2 ARG 43 1HD ARG 43 13.560 -0.324 -13.956 331 HD3 ARG 43 2HD ARG 43 13.174 1.363 -13.623 332 HE ARG 43 HE ARG 43 14.667 1.973 -15.237 333 HH11 ARG 43 2HH1 ARG 43 15.349 -1.298 -14.259 334 HH12 ARG 43 1HH1 ARG 43 16.554 -1.550 -15.478 335 HH21 ARG 43 2HH2 ARG 43 16.251 1.653 -16.847 336 HH22 ARG 43 1HH2 ARG 43 17.066 0.130 -16.949 337 H VAL 44 H VAL 44 12.018 -0.396 -9.432 338 HA VAL 44 HA VAL 44 12.529 -2.869 -7.998 339 HB VAL 44 HB VAL 44 11.093 -2.048 -6.054 340 HG11 VAL 44 1HG1 VAL 44 13.640 -2.405 -6.142 341 HG12 VAL 44 2HG1 VAL 44 13.739 -0.644 -6.180 342 HG13 VAL 44 3HG1 VAL 44 12.974 -1.457 -4.814 343 HG21 VAL 44 1HG2 VAL 44 12.058 0.681 -6.829 344 HG22 VAL 44 2HG2 VAL 44 10.495 0.081 -7.383 345 HG23 VAL 44 3HG2 VAL 44 10.821 0.230 -5.656 346 H LYS 45 H LYS 45 11.082 -4.258 -8.743 347 HA LYS 45 HA LYS 45 8.787 -3.500 -10.207 348 HB2 LYS 45 1HB LYS 45 10.111 -5.687 -10.345 349 HB3 LYS 45 2HB LYS 45 9.200 -6.199 -8.930 350 HG2 LYS 45 1HG LYS 45 7.186 -6.251 -10.091 351 HG3 LYS 45 2HG LYS 45 7.801 -5.228 -11.392 352 HD2 LYS 45 1HD LYS 45 9.492 -7.252 -11.676 353 HD3 LYS 45 2HD LYS 45 8.165 -8.141 -10.922 354 HE2 LYS 45 1HE LYS 45 8.081 -8.148 -13.401 355 HE3 LYS 45 2HE LYS 45 6.648 -7.448 -12.651 356 HZ1 LYS 45 1HZ LYS 45 7.928 -6.281 -14.635 357 HZ2 LYS 45 2HZ LYS 45 8.802 -5.613 -13.350 358 HZ3 LYS 45 3HZ LYS 45 7.126 -5.397 -13.436 359 H VAL 46 H VAL 46 7.101 -2.503 -9.314 360 HA VAL 46 HA VAL 46 6.251 -3.245 -6.610 361 HB VAL 46 HB VAL 46 4.771 -1.227 -6.790 362 HG11 VAL 46 1HG1 VAL 46 7.513 -0.243 -7.325 363 HG12 VAL 46 2HG1 VAL 46 6.415 0.124 -5.994 364 HG13 VAL 46 3HG1 VAL 46 7.313 -1.395 -6.005 365 HG21 VAL 46 1HG2 VAL 46 4.470 -0.199 -8.734 366 HG22 VAL 46 2HG2 VAL 46 6.203 0.097 -8.877 367 HG23 VAL 46 3HG2 VAL 46 5.509 -1.396 -9.508 368 H HIS 47 H HIS 47 4.742 -4.759 -6.458 369 HA HIS 47 HA HIS 47 2.810 -5.084 -8.642 370 HB2 HIS 47 1HB HIS 47 3.854 -7.147 -8.207 371 HB3 HIS 47 2HB HIS 47 3.784 -6.916 -6.463 372 HD1 HIS 47 1HD HIS 47 2.002 -8.459 -9.244 373 HD2 HIS 47 2HD HIS 47 1.085 -7.205 -5.391 374 HE1 HIS 47 1HE HIS 47 -0.172 -9.586 -8.669 375 HE2 HIS 47 2HE HIS 47 -0.749 -8.745 -6.366 376 H PHE 48 H PHE 48 0.641 -4.887 -8.344 377 HA PHE 48 HA PHE 48 -0.207 -3.644 -5.842 378 HB2 PHE 48 1HB PHE 48 -1.386 -3.796 -8.603 379 HB3 PHE 48 2HB PHE 48 -2.372 -3.307 -7.229 380 HD1 PHE 48 1HD PHE 48 1.185 -2.537 -7.984 381 HD2 PHE 48 2HD PHE 48 -2.780 -1.051 -7.554 382 HE1 PHE 48 1HE PHE 48 2.027 -0.236 -8.206 383 HE2 PHE 48 2HE PHE 48 -1.944 1.253 -7.776 384 HZ PHE 48 HZ PHE 48 0.462 1.663 -8.103 385 H ASP 49 H ASP 49 -0.665 -5.150 -4.343 386 HA ASP 49 HA ASP 49 -1.485 -7.732 -4.625 387 HB2 ASP 49 1HB ASP 49 -0.970 -6.346 -2.485 388 HB3 ASP 49 2HB ASP 49 -2.705 -6.042 -2.464 389 H GLY 50 H GLY 50 -3.195 -8.715 -5.474 390 HA2 GLY 50 1HA GLY 50 -5.567 -9.059 -5.597 391 HA3 GLY 50 2HA GLY 50 -5.788 -7.322 -5.443 392 H TRP 51 H TRP 51 -4.056 -6.368 -7.358 393 HA TRP 51 HA TRP 51 -5.582 -6.807 -9.730 394 HB2 TRP 51 1HB TRP 51 -3.009 -5.267 -9.318 395 HB3 TRP 51 2HB TRP 51 -4.012 -5.204 -10.765 396 HD1 TRP 51 HD TRP 51 -4.545 -4.568 -6.962 397 HE1 TRP 51 1HE TRP 51 -6.071 -2.510 -6.719 398 HE3 TRP 51 3HE TRP 51 -5.373 -3.583 -11.910 399 HZ2 TRP 51 2HZ TRP 51 -7.445 -0.707 -8.402 400 HZ3 TRP 51 3HZ TRP 51 -6.805 -1.674 -12.509 401 HH2 TRP 51 HH TRP 51 -7.819 -0.268 -10.790 402 H ASN 52 H ASN 52 -4.969 -7.765 -11.662 403 HA ASN 52 HA ASN 52 -3.613 -10.137 -11.618 404 HB2 ASN 52 1HB ASN 52 -4.302 -8.218 -13.797 405 HB3 ASN 52 2HB ASN 52 -3.214 -9.550 -14.178 406 HD21 ASN 52 1HD2 ASN 52 -4.909 -10.233 -15.620 407 HD22 ASN 52 2HD2 ASN 52 -6.236 -11.152 -15.003 408 H ASN 53 H ASN 53 -1.549 -10.802 -11.671 409 HA ASN 53 HA ASN 53 0.574 -9.222 -10.966 410 HB2 ASN 53 1HB ASN 53 0.789 -11.683 -12.713 411 HB3 ASN 53 2HB ASN 53 2.027 -11.036 -11.640 412 HD21 ASN 53 1HD2 ASN 53 -0.885 -12.864 -11.880 413 HD22 ASN 53 2HD2 ASN 53 -0.932 -13.407 -10.241 414 H CYS 54 H CYS 54 -0.695 -9.822 -14.175 415 HA CYS 54 HA CYS 54 1.375 -8.973 -15.781 416 HB2 CYS 54 1HB CYS 54 -1.607 -8.799 -16.041 417 HB3 CYS 54 2HB CYS 54 -0.580 -8.051 -17.259 418 HG CYS 54 HG CYS 54 -1.475 -10.544 -18.190 419 H TYR 55 H TYR 55 -1.115 -6.977 -14.221 420 HA TYR 55 HA TYR 55 -0.534 -4.503 -15.216 421 HB2 TYR 55 1HB TYR 55 -1.433 -5.410 -12.504 422 HB3 TYR 55 2HB TYR 55 -1.101 -3.705 -12.789 423 HD1 TYR 55 1HD TYR 55 -2.472 -2.424 -14.386 424 HD2 TYR 55 2HD TYR 55 -3.374 -6.472 -13.433 425 HE1 TYR 55 1HE TYR 55 -4.721 -2.141 -15.341 426 HE2 TYR 55 2HE TYR 55 -5.625 -6.200 -14.386 427 HH TYR 55 HH TYR 55 -6.566 -4.287 -16.370 428 H ASP 56 H ASP 56 1.184 -6.222 -12.649 429 HA ASP 56 HA ASP 56 2.842 -4.457 -11.539 430 HB2 ASP 56 1HB ASP 56 3.859 -7.027 -12.768 431 HB3 ASP 56 2HB ASP 56 4.567 -6.158 -11.409 432 H TYR 57 H TYR 57 4.709 -3.316 -11.996 433 HA TYR 57 HA TYR 57 5.834 -3.410 -14.671 434 HB2 TYR 57 1HB TYR 57 5.599 -0.875 -14.855 435 HB3 TYR 57 2HB TYR 57 4.142 -1.824 -15.129 436 HD1 TYR 57 2HD TYR 57 5.916 0.219 -12.590 437 HD2 TYR 57 1HD TYR 57 2.214 -1.474 -13.827 438 HE1 TYR 57 2HE TYR 57 4.749 1.524 -10.863 439 HE2 TYR 57 1HE TYR 57 1.036 -0.173 -12.104 440 HH TYR 57 HH TYR 57 1.389 1.002 -10.122 441 H TRP 58 H TRP 58 7.837 -2.243 -14.857 442 HA TRP 58 HA TRP 58 9.294 -2.215 -12.350 443 HB2 TRP 58 1HB TRP 58 10.023 -2.195 -15.243 444 HB3 TRP 58 2HB TRP 58 11.189 -1.552 -14.090 445 HD1 TRP 58 HD TRP 58 10.029 -4.746 -15.576 446 HE1 TRP 58 1HE TRP 58 11.133 -6.741 -14.383 447 HE3 TRP 58 3HE TRP 58 11.967 -2.300 -11.527 448 HZ2 TRP 58 2HZ TRP 58 12.628 -7.216 -12.036 449 HZ3 TRP 58 3HZ TRP 58 13.221 -3.598 -9.854 450 HH2 TRP 58 HH TRP 58 13.542 -6.005 -10.105 451 H ILE 59 H ILE 59 9.040 -0.425 -11.160 452 HA ILE 59 HA ILE 59 9.104 2.186 -12.509 453 HB ILE 59 HB ILE 59 7.162 1.608 -10.989 454 HG12 ILE 59 1HG1 ILE 59 8.710 4.013 -10.037 455 HG13 ILE 59 2HG1 ILE 59 7.990 3.944 -11.641 456 HG21 ILE 59 1HG2 ILE 59 9.347 1.805 -8.931 457 HG22 ILE 59 2HG2 ILE 59 7.637 1.983 -8.542 458 HG23 ILE 59 3HG2 ILE 59 8.236 0.466 -9.212 459 HD11 ILE 59 1HD1 ILE 59 5.951 4.365 -10.855 460 HD12 ILE 59 2HD1 ILE 59 6.134 3.237 -9.512 461 HD13 ILE 59 3HD1 ILE 59 6.774 4.875 -9.381 462 H ASP 60 H ASP 60 10.537 3.779 -11.890 463 HA ASP 60 HA ASP 60 13.054 2.928 -10.916 464 HB2 ASP 60 1HB ASP 60 11.924 5.694 -11.376 465 HB3 ASP 60 2HB ASP 60 13.602 5.381 -10.943 466 H ALA 61 H ALA 61 13.770 2.723 -8.904 467 HA ALA 61 HA ALA 61 12.152 3.102 -6.650 468 HB1 ALA 61 1HB ALA 61 13.822 2.120 -5.496 469 HB2 ALA 61 2HB ALA 61 14.446 1.769 -7.109 470 HB3 ALA 61 3HB ALA 61 15.064 3.152 -6.206 471 H ASP 62 H ASP 62 14.234 5.277 -8.350 472 HA ASP 62 HA ASP 62 14.223 7.209 -6.159 473 HB2 ASP 62 1HB ASP 62 15.607 7.181 -8.844 474 HB3 ASP 62 2HB ASP 62 15.662 8.555 -7.743 475 H SER 63 H SER 63 11.887 6.371 -7.976 476 HA SER 63 HA SER 63 11.230 8.808 -9.376 477 HB2 SER 63 1HB SER 63 10.550 6.427 -10.062 478 HB3 SER 63 2HB SER 63 9.325 6.542 -8.799 479 HG SER 63 HG SER 63 9.519 7.899 -11.230 480 HA PRO 64 HA PRO 64 9.329 10.857 -5.961 481 HB2 PRO 64 1HB PRO 64 7.907 12.692 -7.369 482 HB3 PRO 64 2HB PRO 64 9.658 12.795 -7.150 483 HG2 PRO 64 1HG PRO 64 8.099 11.778 -9.494 484 HG3 PRO 64 2HG PRO 64 9.538 12.813 -9.472 485 HD2 PRO 64 1HD PRO 64 9.662 10.157 -9.986 486 HD3 PRO 64 2HD PRO 64 10.969 11.033 -9.163 487 H ASP 65 H ASP 65 7.600 9.228 -8.455 488 HA ASP 65 HA ASP 65 4.960 9.708 -7.508 489 HB2 ASP 65 1HB ASP 65 5.621 7.206 -8.994 490 HB3 ASP 65 2HB ASP 65 4.257 8.302 -9.193 491 H ILE 66 H ILE 66 7.434 7.342 -6.780 492 HA ILE 66 HA ILE 66 5.780 5.513 -5.381 493 HB ILE 66 HB ILE 66 8.751 6.014 -5.267 494 HG12 ILE 66 1HG1 ILE 66 7.111 3.763 -6.453 495 HG13 ILE 66 2HG1 ILE 66 7.857 5.071 -7.365 496 HG21 ILE 66 1HG2 ILE 66 7.132 4.628 -3.378 497 HG22 ILE 66 2HG2 ILE 66 8.118 3.454 -4.248 498 HG23 ILE 66 3HG2 ILE 66 8.887 4.804 -3.413 499 HD11 ILE 66 1HD1 ILE 66 9.553 3.342 -5.631 500 HD12 ILE 66 2HD1 ILE 66 9.016 2.753 -7.205 501 HD13 ILE 66 3HD1 ILE 66 9.974 4.230 -7.095 502 H HIS 67 H HIS 67 4.975 5.576 -3.383 503 HA HIS 67 HA HIS 67 6.089 7.520 -1.475 504 HB2 HIS 67 1HB HIS 67 3.155 6.942 -1.938 505 HB3 HIS 67 2HB HIS 67 3.800 7.989 -0.678 506 HD1 HIS 67 1HD HIS 67 5.464 9.975 -1.849 507 HD2 HIS 67 2HD HIS 67 2.329 8.379 -4.058 508 HE1 HIS 67 1HE HIS 67 4.993 11.656 -3.659 509 HE2 HIS 67 2HE HIS 67 3.037 10.709 -4.931 510 HA PRO 68 HA PRO 68 6.320 4.096 1.282 511 HB2 PRO 68 1HB PRO 68 6.412 5.450 3.633 512 HB3 PRO 68 2HB PRO 68 7.776 5.380 2.512 513 HG2 PRO 68 1HG PRO 68 5.747 7.548 2.894 514 HG3 PRO 68 2HG PRO 68 7.501 7.684 2.673 515 HD2 PRO 68 1HD PRO 68 5.742 8.106 0.658 516 HD3 PRO 68 2HD PRO 68 7.360 7.426 0.387 517 H VAL 69 H VAL 69 5.138 2.993 2.934 518 HA VAL 69 HA VAL 69 2.353 3.133 2.683 519 HB VAL 69 HB VAL 69 4.137 1.762 4.675 520 HG11 VAL 69 1HG1 VAL 69 1.649 0.608 4.975 521 HG12 VAL 69 2HG1 VAL 69 2.440 1.691 6.123 522 HG13 VAL 69 3HG1 VAL 69 1.300 2.337 4.940 523 HG21 VAL 69 1HG2 VAL 69 4.061 0.855 2.414 524 HG22 VAL 69 2HG2 VAL 69 3.307 -0.255 3.558 525 HG23 VAL 69 3HG2 VAL 69 2.304 0.742 2.506 526 H GLY 70 H GLY 70 1.288 4.951 3.237 527 HA2 GLY 70 1HA GLY 70 0.135 5.814 5.282 528 HA3 GLY 70 2HA GLY 70 1.745 6.004 5.961 529 H TRP 71 H TRP 71 1.822 6.711 2.701 530 HA TRP 71 HA TRP 71 2.366 9.452 3.140 531 HB2 TRP 71 1HB TRP 71 3.451 8.527 1.282 532 HB3 TRP 71 2HB TRP 71 1.981 7.763 0.684 533 HD1 TRP 71 HD TRP 71 4.061 10.837 0.295 534 HE1 TRP 71 1HE TRP 71 2.917 12.474 -1.329 535 HE3 TRP 71 3HE TRP 71 -0.529 8.607 -0.006 536 HZ2 TRP 71 2HZ TRP 71 0.402 12.780 -2.573 537 HZ3 TRP 71 3HZ TRP 71 -2.249 9.636 -1.435 538 HH2 TRP 71 HH TRP 71 -1.791 11.679 -2.690 539 H CYS 72 H CYS 72 -0.547 7.757 2.811 540 HA CYS 72 HA CYS 72 -2.120 9.754 1.539 541 HB2 CYS 72 1HB CYS 72 -4.012 8.429 2.140 542 HB3 CYS 72 2HB CYS 72 -2.713 7.310 1.746 543 HG CYS 72 HG CYS 72 -2.200 7.508 4.793 544 H SER 73 H SER 73 -0.983 9.287 4.766 545 HA SER 73 HA SER 73 -2.912 11.135 5.913 546 HB2 SER 73 1HB SER 73 -0.516 9.882 7.265 547 HB3 SER 73 2HB SER 73 -1.925 10.607 8.039 548 HG SER 73 HG SER 73 -2.783 8.703 7.953 549 H LYS 74 H LYS 74 0.615 10.960 5.478 550 HA LYS 74 HA LYS 74 1.494 13.275 6.533 551 HB2 LYS 74 1HB LYS 74 2.261 12.312 3.771 552 HB3 LYS 74 2HB LYS 74 3.221 13.354 4.813 553 HG2 LYS 74 1HG LYS 74 3.053 11.359 6.484 554 HG3 LYS 74 2HG LYS 74 2.687 10.430 5.028 555 HD2 LYS 74 1HD LYS 74 5.136 12.136 5.477 556 HD3 LYS 74 2HD LYS 74 5.076 10.372 5.530 557 HE2 LYS 74 1HE LYS 74 5.796 10.666 3.385 558 HE3 LYS 74 2HE LYS 74 4.055 10.691 3.114 559 HZ1 LYS 74 1HZ LYS 74 5.201 12.503 1.969 560 HZ2 LYS 74 2HZ LYS 74 5.762 13.098 3.450 561 HZ3 LYS 74 3HZ LYS 74 4.103 13.090 3.115 562 H THR 75 H THR 75 0.517 13.142 3.103 563 HA THR 75 HA THR 75 0.223 15.996 2.984 564 HB THR 75 HB THR 75 -0.150 15.765 0.700 565 HG1 THR 75 1HG THR 75 -0.842 13.615 -0.139 566 HG21 THR 75 1HG2 THR 75 1.888 14.242 1.851 567 HG22 THR 75 2HG2 THR 75 1.798 14.805 0.182 568 HG23 THR 75 3HG2 THR 75 1.189 13.206 0.607 569 H GLY 76 H GLY 76 -1.980 13.216 2.994 570 HA2 GLY 76 1HA GLY 76 -4.075 13.418 4.210 571 HA3 GLY 76 2HA GLY 76 -4.162 15.086 3.666 572 H HIS 77 H HIS 77 -3.206 12.493 1.534 573 HA HIS 77 HA HIS 77 -5.554 13.040 -0.113 574 HB2 HIS 77 1HB HIS 77 -2.851 11.884 -0.600 575 HB3 HIS 77 2HB HIS 77 -4.166 11.360 -1.648 576 HD1 HIS 77 1HD HIS 77 -3.226 14.809 -0.325 577 HD2 HIS 77 2HD HIS 77 -3.973 12.829 -3.900 578 HE1 HIS 77 1HE HIS 77 -3.055 16.566 -2.115 579 HE2 HIS 77 2HE HIS 77 -3.595 15.362 -4.260 580 HA PRO 78 HA PRO 78 -7.648 9.341 1.012 581 HB2 PRO 78 1HB PRO 78 -9.127 8.960 -1.233 582 HB3 PRO 78 2HB PRO 78 -9.481 10.228 -0.052 583 HG2 PRO 78 1HG PRO 78 -8.033 10.423 -2.665 584 HG3 PRO 78 2HG PRO 78 -9.246 11.517 -1.973 585 HD2 PRO 78 1HD PRO 78 -6.591 12.041 -1.884 586 HD3 PRO 78 2HD PRO 78 -7.709 12.558 -0.606 587 H LEU 79 H LEU 79 -7.284 7.192 0.903 588 HA LEU 79 HA LEU 79 -5.595 6.219 -1.301 589 HB2 LEU 79 1HB LEU 79 -4.694 6.125 1.032 590 HB3 LEU 79 2HB LEU 79 -5.978 4.982 1.419 591 HG LEU 79 HG LEU 79 -5.004 3.518 -0.430 592 HD11 LEU 79 1HD1 LEU 79 -3.620 5.424 -1.355 593 HD12 LEU 79 2HD1 LEU 79 -2.788 3.884 -1.142 594 HD13 LEU 79 3HD1 LEU 79 -2.545 5.186 0.024 595 HD21 LEU 79 1HD2 LEU 79 -4.728 3.325 2.125 596 HD22 LEU 79 2HD2 LEU 79 -3.094 3.927 1.842 597 HD23 LEU 79 3HD2 LEU 79 -3.624 2.423 1.086 598 H GLN 80 H GLN 80 -6.162 4.427 -2.458 599 HA GLN 80 HA GLN 80 -8.889 3.426 -2.012 600 HB2 GLN 80 1HB GLN 80 -7.189 3.387 -4.511 601 HB3 GLN 80 2HB GLN 80 -8.814 2.727 -4.384 602 HG2 GLN 80 1HG GLN 80 -8.151 5.613 -3.872 603 HG3 GLN 80 2HG GLN 80 -8.649 4.986 -5.443 604 HE21 GLN 80 1HE2 GLN 80 -9.946 6.945 -3.718 605 HE22 GLN 80 2HE2 GLN 80 -11.528 6.329 -3.398 606 HA PRO 81 HA PRO 81 -7.075 -0.413 -0.731 607 HB2 PRO 81 1HB PRO 81 -9.387 -1.832 -0.630 608 HB3 PRO 81 2HB PRO 81 -8.928 -0.655 0.606 609 HG2 PRO 81 1HG PRO 81 -10.801 -0.340 -1.708 610 HG3 PRO 81 2HG PRO 81 -10.989 0.211 -0.033 611 HD2 PRO 81 1HD PRO 81 -10.222 1.867 -2.033 612 HD3 PRO 81 2HD PRO 81 -9.661 2.066 -0.360 613 HA PRO 82 HA PRO 82 -6.557 -2.751 -4.428 614 HB2 PRO 82 1HB PRO 82 -5.952 -5.180 -3.377 615 HB3 PRO 82 2HB PRO 82 -4.829 -3.815 -3.351 616 HG2 PRO 82 1HG PRO 82 -6.629 -4.827 -1.184 617 HG3 PRO 82 2HG PRO 82 -4.942 -4.289 -1.078 618 HD2 PRO 82 1HD PRO 82 -7.023 -2.713 -0.357 619 HD3 PRO 82 2HD PRO 82 -5.524 -2.059 -1.048 620 H LEU 83 H LEU 83 -7.099 -5.305 -5.009 621 HA LEU 83 HA LEU 83 -9.921 -5.313 -5.362 622 HB2 LEU 83 1HB LEU 83 -7.687 -7.166 -6.049 623 HB3 LEU 83 2HB LEU 83 -9.348 -7.742 -6.166 624 HG LEU 83 HG LEU 83 -8.524 -7.004 -8.331 625 HD11 LEU 83 1HD1 LEU 83 -10.545 -5.043 -7.262 626 HD12 LEU 83 2HD1 LEU 83 -10.912 -6.707 -7.716 627 HD13 LEU 83 3HD1 LEU 83 -10.342 -5.566 -8.935 628 HD21 LEU 83 1HD2 LEU 83 -6.875 -5.379 -7.573 629 HD22 LEU 83 2HD2 LEU 83 -8.165 -4.316 -7.008 630 HD23 LEU 83 3HD2 LEU 83 -7.988 -4.651 -8.732 631 H SER 84 H SER 84 -11.107 -7.511 -4.941 632 HA SER 84 HA SER 84 -11.443 -7.750 -2.162 633 HB2 SER 84 1HB SER 84 -12.465 -9.214 -4.553 634 HB3 SER 84 2HB SER 84 -12.664 -9.972 -2.973 635 HG SER 84 HG SER 84 -14.370 -8.733 -2.902 636 HA PRO 85 HA PRO 85 -8.502 -10.732 -0.858 637 HB2 PRO 85 1HB PRO 85 -9.923 -12.176 0.949 638 HB3 PRO 85 2HB PRO 85 -9.380 -10.522 1.255 639 HG2 PRO 85 1HG PRO 85 -12.069 -11.501 0.376 640 HG3 PRO 85 2HG PRO 85 -11.668 -10.265 1.583 641 HD2 PRO 85 1HD PRO 85 -12.453 -9.645 -0.934 642 HD3 PRO 85 2HD PRO 85 -11.312 -8.642 -0.015 643 H LEU 86 H LEU 86 -11.109 -11.582 -2.738 644 HA LEU 86 HA LEU 86 -10.393 -14.432 -2.773 645 HB2 LEU 86 1HB LEU 86 -12.502 -14.896 -3.689 646 HB3 LEU 86 2HB LEU 86 -12.789 -13.717 -2.411 647 HG LEU 86 HG LEU 86 -12.729 -11.984 -4.345 648 HD11 LEU 86 1HD1 LEU 86 -12.496 -14.479 -5.773 649 HD12 LEU 86 2HD1 LEU 86 -12.359 -12.824 -6.367 650 HD13 LEU 86 3HD1 LEU 86 -13.942 -13.595 -6.262 651 HD21 LEU 86 1HD2 LEU 86 -14.710 -12.359 -3.080 652 HD22 LEU 86 2HD2 LEU 86 -14.984 -13.919 -3.855 653 HD23 LEU 86 3HD2 LEU 86 -15.156 -12.430 -4.785 654 H GLU 87 H GLU 87 -10.223 -11.511 -4.564 655 HA GLU 87 HA GLU 87 -9.982 -12.641 -7.167 656 HB2 GLU 87 1HB GLU 87 -9.016 -9.973 -6.120 657 HB3 GLU 87 2HB GLU 87 -9.127 -10.424 -7.816 658 HG2 GLU 87 1HG GLU 87 -11.577 -10.629 -6.155 659 HG3 GLU 87 2HG GLU 87 -11.010 -9.025 -6.616 660 H LEU 88 H LEU 88 -7.571 -11.316 -4.900 661 HA LEU 88 HA LEU 88 -5.272 -11.788 -6.318 662 HB2 LEU 88 1HB LEU 88 -4.140 -12.026 -4.123 663 HB3 LEU 88 2HB LEU 88 -5.192 -10.618 -4.244 664 HG LEU 88 HG LEU 88 -6.911 -12.293 -3.094 665 HD11 LEU 88 1HD1 LEU 88 -4.608 -13.163 -1.516 666 HD12 LEU 88 2HD1 LEU 88 -4.701 -13.888 -3.120 667 HD13 LEU 88 3HD1 LEU 88 -6.055 -14.048 -2.002 668 HD21 LEU 88 1HD2 LEU 88 -4.991 -10.310 -2.132 669 HD22 LEU 88 2HD2 LEU 88 -5.557 -11.421 -0.885 670 HD23 LEU 88 3HD2 LEU 88 -6.718 -10.469 -1.811 671 H MET 89 H MET 89 -6.928 -14.064 -4.141 672 HA MET 89 HA MET 89 -5.116 -16.205 -4.721 673 HB2 MET 89 1HB MET 89 -6.699 -17.592 -3.437 674 HB3 MET 89 2HB MET 89 -6.262 -16.121 -2.578 675 HG2 MET 89 1HG MET 89 -8.524 -16.215 -2.226 676 HG3 MET 89 2HG MET 89 -8.425 -15.165 -3.638 677 HE1 MET 89 1HE MET 89 -8.788 -19.035 -2.660 678 HE2 MET 89 2HE MET 89 -10.099 -18.026 -2.048 679 HE3 MET 89 3HE MET 89 -10.420 -19.225 -3.303 680 H GLU 90 H GLU 90 -5.668 -18.196 -5.785 681 HA GLU 90 HA GLU 90 -7.876 -18.000 -7.710 682 HB2 GLU 90 1HB GLU 90 -5.751 -17.334 -8.815 683 HB3 GLU 90 2HB GLU 90 -5.078 -18.907 -8.408 684 HG2 GLU 90 1HG GLU 90 -6.912 -19.953 -9.734 685 HG3 GLU 90 2HG GLU 90 -7.384 -18.335 -10.251 686 H ALA 91 H ALA 91 -9.139 -19.725 -7.597 687 HA ALA 91 HA ALA 91 -8.576 -21.958 -5.981 688 HB1 ALA 91 1HB ALA 91 -10.577 -22.449 -8.039 689 HB2 ALA 91 2HB ALA 91 -10.736 -22.434 -6.282 690 HB3 ALA 91 3HB ALA 91 -10.818 -20.923 -7.188 691 H SER 92 H SER 92 -8.364 -24.190 -6.610 692 HA SER 92 HA SER 92 -7.111 -24.563 -9.249 693 HB2 SER 92 1HB SER 92 -5.553 -24.509 -7.159 694 HB3 SER 92 2HB SER 92 -6.202 -26.119 -6.845 695 HG SER 92 HG SER 92 -5.594 -26.321 -9.277 696 H GLU 93 H GLU 93 -8.613 -26.226 -6.489 697 HA GLU 93 HA GLU 93 -10.196 -27.831 -8.306 698 HB2 GLU 93 1HB GLU 93 -8.024 -29.068 -8.008 699 HB3 GLU 93 2HB GLU 93 -8.410 -29.209 -6.299 700 HG2 GLU 93 1HG GLU 93 -10.542 -30.356 -6.996 701 HG3 GLU 93 2HG GLU 93 -9.875 -30.413 -8.626 702 H HIS 94 H HIS 94 -12.181 -27.974 -7.510 703 HA HIS 94 HA HIS 94 -13.142 -26.832 -5.256 704 HB2 HIS 94 1HB HIS 94 -14.096 -29.226 -6.794 705 HB3 HIS 94 2HB HIS 94 -14.963 -28.696 -5.356 706 HD1 HIS 94 1HD HIS 94 -16.835 -27.185 -5.881 707 HD2 HIS 94 2HD HIS 94 -13.759 -26.830 -8.650 708 HE1 HIS 94 1HE HIS 94 -17.634 -25.492 -7.559 709 HE2 HIS 94 2HE HIS 94 -15.792 -25.357 -9.272 710 H GLY 95 H GLY 95 -14.011 -27.764 -3.235 711 HA2 GLY 95 1HA GLY 95 -13.136 -30.233 -2.198 712 HA3 GLY 95 2HA GLY 95 -12.000 -28.982 -1.714 713 H GLY 96 H GLY 96 -13.059 -30.103 0.352 714 HA2 GLY 96 1HA GLY 96 -13.947 -28.926 2.286 715 HA3 GLY 96 2HA GLY 96 -15.168 -28.233 1.228 716 H CYS 97 H CYS 97 -14.192 -31.035 3.043 717 HA CYS 97 HA CYS 97 -16.663 -32.433 2.326 718 HB2 CYS 97 1HB CYS 97 -14.324 -33.543 2.373 719 HB3 CYS 97 2HB CYS 97 -14.516 -33.532 4.122 720 HG CYS 97 HG CYS 97 -15.941 -35.660 4.274 721 H SER 98 H SER 98 -18.348 -31.775 3.504 722 HA SER 98 HA SER 98 -18.187 -30.647 6.080 723 HB2 SER 98 1HB SER 98 -20.537 -31.895 4.636 724 HB3 SER 98 2HB SER 98 -20.663 -30.959 6.125 725 HG SER 98 HG SER 98 -19.572 -29.997 3.687 726 H THR 99 H THR 99 -18.897 -31.484 8.098 727 HA THR 99 HA THR 99 -18.535 -34.398 8.327 728 HB THR 99 HB THR 99 -17.926 -33.942 10.710 729 HG1 THR 99 1HG THR 99 -18.977 -31.760 10.602 730 HG21 THR 99 1HG2 THR 99 -15.847 -32.366 9.659 731 HG22 THR 99 2HG2 THR 99 -16.391 -33.407 8.343 732 HG23 THR 99 3HG2 THR 99 -15.870 -34.116 9.871 733 HA PRO 100 HA PRO 100 -22.621 -34.889 9.865 734 HB2 PRO 100 1HB PRO 100 -22.275 -36.972 11.571 735 HB3 PRO 100 2HB PRO 100 -22.233 -37.153 9.813 736 HG2 PRO 100 1HG PRO 100 -19.960 -36.940 11.750 737 HG3 PRO 100 2HG PRO 100 -20.148 -38.025 10.361 738 HD2 PRO 100 1HD PRO 100 -18.640 -35.778 10.262 739 HD3 PRO 100 2HD PRO 100 -19.515 -36.403 8.849 740 H GLY 101 H GLY 101 -23.728 -35.412 12.136 741 HA2 GLY 101 1HA GLY 101 -22.537 -34.469 14.503 742 HA3 GLY 101 2HA GLY 101 -23.383 -33.134 13.735 743 H SER 102 H SER 102 -25.365 -32.824 14.468 744 HA SER 102 HA SER 102 -26.686 -34.552 16.222 745 HB2 SER 102 1HB SER 102 -27.081 -32.049 15.860 746 HB3 SER 102 2HB SER 102 -28.097 -32.516 14.497 747 HG SER 102 HG SER 102 -29.441 -33.613 15.903 748 H GLY 103 H GLY 103 -28.752 -35.652 15.921 749 HA2 GLY 103 1HA GLY 103 -29.030 -36.746 13.189 750 HA3 GLY 103 2HA GLY 103 -29.157 -37.748 14.627 751 HA PRO 104 HA PRO 104 -33.456 -36.633 13.421 752 HB2 PRO 104 1HB PRO 104 -34.487 -39.070 14.029 753 HB3 PRO 104 2HB PRO 104 -33.745 -38.704 12.467 754 HG2 PRO 104 1HG PRO 104 -32.573 -40.105 14.839 755 HG3 PRO 104 2HG PRO 104 -32.443 -40.517 13.119 756 HD2 PRO 104 1HD PRO 104 -30.470 -39.241 14.464 757 HD3 PRO 104 2HD PRO 104 -30.789 -38.957 12.741 758 H SER 105 H SER 105 -34.894 -35.784 14.805 759 HA SER 105 HA SER 105 -34.444 -36.123 17.655 760 HB2 SER 105 1HB SER 105 -36.063 -34.271 17.898 761 HB3 SER 105 2HB SER 105 -34.758 -33.856 16.787 762 HG SER 105 HG SER 105 -37.225 -33.586 16.261 763 H SER 106 H SER 106 -37.302 -36.201 15.518 764 HA SER 106 HA SER 106 -38.387 -38.364 17.187 765 HB2 SER 106 1HB SER 106 -39.397 -36.019 17.628 766 HB3 SER 106 2HB SER 106 -40.177 -36.222 16.059 767 HG SER 106 HG SER 106 -41.379 -37.832 16.841 768 H GLY 107 H GLY 107 -39.900 -39.754 16.118 769 HA2 GLY 107 1HA GLY 107 -41.064 -40.496 14.166 770 HA3 GLY 107 2HA GLY 107 -39.990 -39.504 13.191 Start of MODEL 16 1 H1 GLY 1 H GLY 1 14.465 -21.551 5.674 2 HA2 GLY 1 1HA GLY 1 16.335 -22.038 7.909 3 HA3 GLY 1 2HA GLY 1 16.801 -22.315 6.238 4 H SER 2 H SER 2 15.664 -19.794 8.458 5 HA SER 2 HA SER 2 16.615 -17.696 6.704 6 HB2 SER 2 1HB SER 2 15.538 -17.476 9.525 7 HB3 SER 2 2HB SER 2 15.735 -16.160 8.367 8 HG SER 2 HG SER 2 14.149 -17.103 7.082 9 H SER 3 H SER 3 18.843 -18.078 6.602 10 HA SER 3 HA SER 3 20.415 -18.129 9.027 11 HB2 SER 3 1HB SER 3 21.031 -18.322 6.096 12 HB3 SER 3 2HB SER 3 22.328 -17.999 7.246 13 HG SER 3 HG SER 3 21.404 -20.325 6.625 14 H GLY 4 H GLY 4 20.324 -15.998 6.160 15 HA2 GLY 4 1HA GLY 4 20.621 -13.725 5.978 16 HA3 GLY 4 2HA GLY 4 20.369 -13.619 7.714 17 H SER 5 H SER 5 22.853 -14.894 5.491 18 HA SER 5 HA SER 5 24.870 -13.511 7.137 19 HB2 SER 5 1HB SER 5 25.036 -16.244 5.854 20 HB3 SER 5 2HB SER 5 26.433 -15.388 6.505 21 HG SER 5 HG SER 5 25.790 -15.823 8.470 22 H SER 6 H SER 6 24.678 -11.739 5.651 23 HA SER 6 HA SER 6 26.574 -11.869 3.531 24 HB2 SER 6 1HB SER 6 25.087 -11.362 1.660 25 HB3 SER 6 2HB SER 6 24.636 -12.903 2.388 26 HG SER 6 HG SER 6 23.399 -10.468 3.123 27 H GLY 7 H GLY 7 27.409 -9.889 3.140 28 HA2 GLY 7 1HA GLY 7 26.106 -7.626 4.501 29 HA3 GLY 7 2HA GLY 7 27.823 -7.744 4.145 30 H VAL 8 H VAL 8 24.752 -6.711 3.034 31 HA VAL 8 HA VAL 8 26.004 -5.707 0.564 32 HB VAL 8 HB VAL 8 24.443 -7.546 0.038 33 HG11 VAL 8 1HG1 VAL 8 21.936 -6.381 0.383 34 HG12 VAL 8 2HG1 VAL 8 22.600 -7.757 1.266 35 HG13 VAL 8 3HG1 VAL 8 22.773 -6.125 1.913 36 HG21 VAL 8 1HG2 VAL 8 23.924 -4.753 -0.870 37 HG22 VAL 8 2HG2 VAL 8 24.619 -6.112 -1.753 38 HG23 VAL 8 3HG2 VAL 8 22.883 -6.055 -1.447 39 H LYS 9 H LYS 9 25.449 -3.643 -0.081 40 HA LYS 9 HA LYS 9 24.161 -2.013 1.983 41 HB2 LYS 9 1HB LYS 9 25.890 -1.251 -0.376 42 HB3 LYS 9 2HB LYS 9 25.163 -0.095 0.732 43 HG2 LYS 9 1HG LYS 9 26.427 -1.070 2.582 44 HG3 LYS 9 2HG LYS 9 27.158 -2.228 1.469 45 HD2 LYS 9 1HD LYS 9 27.374 0.744 1.064 46 HD3 LYS 9 2HD LYS 9 28.526 -0.158 2.053 47 HE2 LYS 9 1HE LYS 9 28.906 -1.647 0.066 48 HE3 LYS 9 2HE LYS 9 27.937 -0.520 -0.880 49 HZ1 LYS 9 1HZ LYS 9 29.566 1.230 -0.046 50 HZ2 LYS 9 2HZ LYS 9 30.121 0.154 -1.227 51 HZ3 LYS 9 3HZ LYS 9 30.564 -0.065 0.391 52 HA PRO 10 HA PRO 10 20.527 -1.298 -0.380 53 HB2 PRO 10 1HB PRO 10 19.879 1.204 0.451 54 HB3 PRO 10 2HB PRO 10 19.690 -0.227 1.472 55 HG2 PRO 10 1HG PRO 10 21.886 1.808 1.449 56 HG3 PRO 10 2HG PRO 10 21.064 1.065 2.833 57 HD2 PRO 10 1HD PRO 10 23.500 0.251 1.977 58 HD3 PRO 10 2HD PRO 10 22.325 -0.860 2.710 59 HA PRO 11 HA PRO 11 22.225 0.805 -3.957 60 HB2 PRO 11 1HB PRO 11 20.224 0.087 -5.645 61 HB3 PRO 11 2HB PRO 11 21.528 -1.011 -5.179 62 HG2 PRO 11 1HG PRO 11 18.737 -0.823 -4.111 63 HG3 PRO 11 2HG PRO 11 19.685 -2.266 -4.518 64 HD2 PRO 11 1HD PRO 11 19.386 -1.387 -1.974 65 HD3 PRO 11 2HD PRO 11 20.858 -2.208 -2.534 66 H HIS 12 H HIS 12 18.742 0.949 -3.205 67 HA HIS 12 HA HIS 12 18.821 3.827 -3.830 68 HB2 HIS 12 1HB HIS 12 16.251 3.310 -4.334 69 HB3 HIS 12 2HB HIS 12 17.495 3.168 -5.573 70 HD1 HIS 12 1HD HIS 12 15.522 1.002 -3.176 71 HD2 HIS 12 2HD HIS 12 17.743 0.678 -6.672 72 HE1 HIS 12 1HE HIS 12 15.191 -1.363 -3.966 73 HE2 HIS 12 2HE HIS 12 16.613 -1.560 -6.036 74 H GLY 13 H GLY 13 17.061 1.290 -2.059 75 HA2 GLY 13 1HA GLY 13 17.046 1.894 0.438 76 HA3 GLY 13 2HA GLY 13 16.211 3.336 -0.118 77 H PHE 14 H PHE 14 15.716 0.193 -1.568 78 HA PHE 14 HA PHE 14 13.093 0.022 -0.245 79 HB2 PHE 14 1HB PHE 14 13.731 -0.247 -3.178 80 HB3 PHE 14 2HB PHE 14 12.264 -0.923 -2.478 81 HD1 PHE 14 1HD PHE 14 14.155 2.273 -2.720 82 HD2 PHE 14 2HD PHE 14 10.363 0.377 -2.351 83 HE1 PHE 14 1HE PHE 14 13.045 4.456 -2.955 84 HE2 PHE 14 2HE PHE 14 9.246 2.557 -2.586 85 HZ PHE 14 HZ PHE 14 10.587 4.600 -2.889 86 H GLN 15 H GLN 15 12.328 -2.034 0.201 87 HA GLN 15 HA GLN 15 14.274 -4.209 -0.200 88 HB2 GLN 15 1HB GLN 15 12.290 -3.871 2.056 89 HB3 GLN 15 2HB GLN 15 13.428 -5.200 1.877 90 HG2 GLN 15 1HG GLN 15 15.291 -3.709 2.172 91 HG3 GLN 15 2HG GLN 15 14.214 -2.314 2.200 92 HE21 GLN 15 1HE2 GLN 15 14.648 -5.429 3.844 93 HE22 GLN 15 2HE2 GLN 15 14.309 -4.834 5.429 94 H LYS 16 H LYS 16 13.265 -6.419 -0.158 95 HA LYS 16 HA LYS 16 10.938 -6.404 -1.922 96 HB2 LYS 16 1HB LYS 16 13.132 -8.335 -1.330 97 HB3 LYS 16 2HB LYS 16 11.600 -8.974 -1.911 98 HG2 LYS 16 1HG LYS 16 11.810 -7.977 -3.974 99 HG3 LYS 16 2HG LYS 16 12.908 -6.730 -3.377 100 HD2 LYS 16 1HD LYS 16 13.669 -9.639 -3.478 101 HD3 LYS 16 2HD LYS 16 13.923 -8.546 -4.841 102 HE2 LYS 16 1HE LYS 16 15.510 -7.300 -3.713 103 HE3 LYS 16 2HE LYS 16 14.914 -7.786 -2.127 104 HZ1 LYS 16 1HZ LYS 16 16.018 -9.866 -3.860 105 HZ2 LYS 16 2HZ LYS 16 16.081 -9.717 -2.176 106 HZ3 LYS 16 3HZ LYS 16 17.108 -8.785 -3.146 107 H LYS 17 H LYS 17 9.150 -7.832 -1.579 108 HA LYS 17 HA LYS 17 7.517 -8.850 -0.361 109 HB2 LYS 17 1HB LYS 17 9.609 -9.279 1.776 110 HB3 LYS 17 2HB LYS 17 8.100 -10.159 1.575 111 HG2 LYS 17 1HG LYS 17 8.990 -10.940 -0.651 112 HG3 LYS 17 2HG LYS 17 10.547 -10.265 -0.165 113 HD2 LYS 17 1HD LYS 17 10.565 -11.712 1.804 114 HD3 LYS 17 2HD LYS 17 8.996 -12.375 1.339 115 HE2 LYS 17 1HE LYS 17 11.302 -12.485 -0.563 116 HE3 LYS 17 2HE LYS 17 11.174 -13.666 0.740 117 HZ1 LYS 17 1HZ LYS 17 10.151 -14.519 -1.245 118 HZ2 LYS 17 2HZ LYS 17 9.154 -13.158 -1.377 119 HZ3 LYS 17 3HZ LYS 17 8.951 -14.234 -0.087 120 H MET 18 H MET 18 8.283 -5.977 -0.066 121 HA MET 18 HA MET 18 7.068 -5.473 2.570 122 HB2 MET 18 1HB MET 18 8.316 -3.536 2.801 123 HB3 MET 18 2HB MET 18 9.451 -4.596 1.976 124 HG2 MET 18 1HG MET 18 9.045 -3.527 -0.114 125 HG3 MET 18 2HG MET 18 7.708 -2.599 0.561 126 HE1 MET 18 1HE MET 18 9.971 0.307 -0.051 127 HE2 MET 18 2HE MET 18 10.575 -1.081 -0.958 128 HE3 MET 18 3HE MET 18 8.837 -0.834 -0.776 129 H LYS 19 H LYS 19 6.029 -3.124 2.509 130 HA LYS 19 HA LYS 19 4.236 -3.075 0.171 131 HB2 LYS 19 1HB LYS 19 3.715 -2.458 3.074 132 HB3 LYS 19 2HB LYS 19 2.629 -1.925 1.797 133 HG2 LYS 19 1HG LYS 19 3.374 -4.786 2.372 134 HG3 LYS 19 2HG LYS 19 1.871 -3.996 2.854 135 HD2 LYS 19 1HD LYS 19 1.757 -3.453 0.264 136 HD3 LYS 19 2HD LYS 19 2.779 -4.889 0.166 137 HE2 LYS 19 1HE LYS 19 0.335 -5.016 1.854 138 HE3 LYS 19 2HE LYS 19 0.135 -5.040 0.103 139 HZ1 LYS 19 1HZ LYS 19 0.579 -7.214 1.583 140 HZ2 LYS 19 2HZ LYS 19 2.165 -6.825 1.145 141 HZ3 LYS 19 3HZ LYS 19 0.999 -7.091 -0.051 142 H LEU 20 H LEU 20 3.527 -1.026 -0.595 143 HA LEU 20 HA LEU 20 4.539 1.419 0.454 144 HB2 LEU 20 1HB LEU 20 6.289 1.904 -0.899 145 HB3 LEU 20 2HB LEU 20 6.467 0.152 -0.847 146 HG LEU 20 HG LEU 20 4.922 0.347 -3.018 147 HD11 LEU 20 1HD1 LEU 20 6.239 2.391 -4.193 148 HD12 LEU 20 2HD1 LEU 20 6.018 3.037 -2.567 149 HD13 LEU 20 3HD1 LEU 20 4.619 2.520 -3.508 150 HD21 LEU 20 1HD2 LEU 20 7.706 0.966 -3.659 151 HD22 LEU 20 2HD2 LEU 20 6.737 -0.454 -4.054 152 HD23 LEU 20 3HD2 LEU 20 7.514 -0.327 -2.475 153 H GLU 21 H GLU 21 3.474 3.166 -0.379 154 HA GLU 21 HA GLU 21 1.205 2.598 -2.067 155 HB2 GLU 21 1HB GLU 21 2.155 5.171 -0.798 156 HB3 GLU 21 2HB GLU 21 0.646 4.992 -1.681 157 HG2 GLU 21 1HG GLU 21 -0.083 3.307 -0.040 158 HG3 GLU 21 2HG GLU 21 1.404 3.581 0.866 159 H VAL 22 H VAL 22 1.289 2.637 -4.204 160 HA VAL 22 HA VAL 22 3.261 4.397 -5.510 161 HB VAL 22 HB VAL 22 2.008 1.893 -6.643 162 HG11 VAL 22 1HG1 VAL 22 3.006 2.355 -8.592 163 HG12 VAL 22 2HG1 VAL 22 3.125 4.007 -7.982 164 HG13 VAL 22 3HG1 VAL 22 4.488 2.901 -7.808 165 HG21 VAL 22 1HG2 VAL 22 4.797 2.299 -5.569 166 HG22 VAL 22 2HG2 VAL 22 3.510 1.416 -4.748 167 HG23 VAL 22 3HG2 VAL 22 4.152 0.820 -6.279 168 H VAL 23 H VAL 23 2.625 5.728 -7.163 169 HA VAL 23 HA VAL 23 -0.199 6.341 -7.287 170 HB VAL 23 HB VAL 23 2.166 7.633 -8.652 171 HG11 VAL 23 1HG1 VAL 23 -0.095 7.822 -9.817 172 HG12 VAL 23 2HG1 VAL 23 -0.597 8.790 -8.430 173 HG13 VAL 23 3HG1 VAL 23 0.745 9.326 -9.442 174 HG21 VAL 23 1HG2 VAL 23 2.468 8.785 -6.777 175 HG22 VAL 23 2HG2 VAL 23 0.775 9.278 -6.758 176 HG23 VAL 23 3HG2 VAL 23 1.261 7.763 -5.996 177 H ASP 24 H ASP 24 -1.532 5.406 -8.676 178 HA ASP 24 HA ASP 24 -0.793 3.654 -10.706 179 HB2 ASP 24 1HB ASP 24 -3.105 4.089 -9.554 180 HB3 ASP 24 2HB ASP 24 -3.351 5.206 -10.894 181 H LYS 25 H LYS 25 0.118 3.981 -12.614 182 HA LYS 25 HA LYS 25 0.805 6.453 -13.662 183 HB2 LYS 25 1HB LYS 25 0.333 4.074 -15.436 184 HB3 LYS 25 2HB LYS 25 1.575 5.312 -15.563 185 HG2 LYS 25 1HG LYS 25 1.425 3.043 -13.602 186 HG3 LYS 25 2HG LYS 25 2.647 3.336 -14.841 187 HD2 LYS 25 1HD LYS 25 2.180 5.332 -12.656 188 HD3 LYS 25 2HD LYS 25 3.189 3.911 -12.374 189 HE2 LYS 25 1HE LYS 25 4.807 4.599 -13.861 190 HE3 LYS 25 2HE LYS 25 3.683 5.590 -14.789 191 HZ1 LYS 25 1HZ LYS 25 3.792 6.644 -12.216 192 HZ2 LYS 25 2HZ LYS 25 4.374 7.336 -13.645 193 HZ3 LYS 25 3HZ LYS 25 5.391 6.372 -12.697 194 H ARG 26 H ARG 26 -1.760 4.283 -14.871 195 HA ARG 26 HA ARG 26 -2.843 5.974 -16.770 196 HB2 ARG 26 1HB ARG 26 -4.996 4.700 -16.356 197 HB3 ARG 26 2HB ARG 26 -3.582 3.723 -16.731 198 HG2 ARG 26 1HG ARG 26 -3.364 3.639 -14.108 199 HG3 ARG 26 2HG ARG 26 -5.093 3.981 -14.188 200 HD2 ARG 26 1HD ARG 26 -3.730 1.729 -15.657 201 HD3 ARG 26 2HD ARG 26 -4.534 1.554 -14.098 202 HE ARG 26 HE ARG 26 -6.481 2.611 -15.595 203 HH11 ARG 26 2HH1 ARG 26 -4.285 -0.024 -16.191 204 HH12 ARG 26 1HH1 ARG 26 -5.394 -0.891 -17.201 205 HH21 ARG 26 2HH2 ARG 26 -7.950 1.479 -16.923 206 HH22 ARG 26 1HH2 ARG 26 -7.478 -0.035 -17.618 207 H ASN 27 H ASN 27 -3.380 5.891 -13.297 208 HA ASN 27 HA ASN 27 -4.829 8.437 -13.530 209 HB2 ASN 27 1HB ASN 27 -5.700 5.933 -12.180 210 HB3 ASN 27 2HB ASN 27 -6.042 7.452 -11.357 211 HD21 ASN 27 1HD2 ASN 27 -6.994 5.301 -13.773 212 HD22 ASN 27 2HD2 ASN 27 -8.250 6.258 -14.475 213 HA PRO 28 HA PRO 28 -1.346 9.146 -10.694 214 HB2 PRO 28 1HB PRO 28 -1.254 11.821 -11.152 215 HB3 PRO 28 2HB PRO 28 -0.495 10.636 -12.222 216 HG2 PRO 28 1HG PRO 28 -3.122 12.041 -12.512 217 HG3 PRO 28 2HG PRO 28 -1.882 11.722 -13.739 218 HD2 PRO 28 1HD PRO 28 -4.124 10.221 -13.509 219 HD3 PRO 28 2HD PRO 28 -2.576 9.547 -14.055 220 H MET 29 H MET 29 -4.599 10.127 -10.731 221 HA MET 29 HA MET 29 -4.389 11.621 -8.230 222 HB2 MET 29 1HB MET 29 -6.645 11.145 -10.168 223 HB3 MET 29 2HB MET 29 -6.911 11.874 -8.590 224 HG2 MET 29 1HG MET 29 -5.765 13.799 -9.136 225 HG3 MET 29 2HG MET 29 -4.855 13.014 -10.425 226 HE1 MET 29 1HE MET 29 -6.318 14.313 -13.341 227 HE2 MET 29 2HE MET 29 -5.894 15.536 -12.143 228 HE3 MET 29 3HE MET 29 -4.946 14.053 -12.264 229 H PHE 30 H PHE 30 -4.172 8.557 -8.772 230 HA PHE 30 HA PHE 30 -5.818 7.812 -6.460 231 HB2 PHE 30 1HB PHE 30 -5.723 6.444 -9.138 232 HB3 PHE 30 2HB PHE 30 -6.153 5.558 -7.678 233 HD1 PHE 30 2HD PHE 30 -7.123 8.400 -9.833 234 HD2 PHE 30 1HD PHE 30 -8.306 5.712 -6.753 235 HE1 PHE 30 2HE PHE 30 -9.447 9.176 -10.054 236 HE2 PHE 30 1HE PHE 30 -10.633 6.483 -6.969 237 HZ PHE 30 HZ PHE 30 -11.206 8.218 -8.621 238 H ILE 31 H ILE 31 -4.729 6.713 -4.958 239 HA ILE 31 HA ILE 31 -2.193 5.429 -5.735 240 HB ILE 31 HB ILE 31 -2.736 6.949 -3.182 241 HG12 ILE 31 1HG1 ILE 31 -0.598 7.625 -5.169 242 HG13 ILE 31 2HG1 ILE 31 -2.250 8.154 -5.464 243 HG21 ILE 31 1HG2 ILE 31 -1.258 4.862 -3.082 244 HG22 ILE 31 2HG2 ILE 31 -0.101 5.794 -4.032 245 HG23 ILE 31 3HG2 ILE 31 -0.597 6.365 -2.438 246 HD11 ILE 31 1HD1 ILE 31 -1.211 9.951 -4.398 247 HD12 ILE 31 2HD1 ILE 31 -2.162 9.170 -3.134 248 HD13 ILE 31 3HD1 ILE 31 -0.420 8.908 -3.218 249 H ARG 32 H ARG 32 -1.958 3.370 -5.132 250 HA ARG 32 HA ARG 32 -3.698 2.319 -3.005 251 HB2 ARG 32 1HB ARG 32 -3.164 1.117 -5.720 252 HB3 ARG 32 2HB ARG 32 -3.815 0.187 -4.377 253 HG2 ARG 32 1HG ARG 32 -5.838 1.279 -4.422 254 HG3 ARG 32 2HG ARG 32 -5.166 2.714 -5.198 255 HD2 ARG 32 1HD ARG 32 -4.891 1.462 -7.279 256 HD3 ARG 32 2HD ARG 32 -5.546 0.021 -6.503 257 HE ARG 32 HE ARG 32 -7.304 2.293 -6.402 258 HH11 ARG 32 2HH1 ARG 32 -6.272 -0.452 -8.277 259 HH12 ARG 32 1HH1 ARG 32 -7.751 -0.562 -9.172 260 HH21 ARG 32 2HH2 ARG 32 -9.256 2.159 -7.574 261 HH22 ARG 32 1HH2 ARG 32 -9.448 0.924 -8.772 262 H VAL 33 H VAL 33 -2.921 0.102 -2.268 263 HA VAL 33 HA VAL 33 -0.213 0.334 -1.431 264 HB VAL 33 HB VAL 33 -2.217 -1.903 -1.160 265 HG11 VAL 33 1HG1 VAL 33 0.663 -1.781 -0.391 266 HG12 VAL 33 2HG1 VAL 33 -0.476 -2.644 0.646 267 HG13 VAL 33 3HG1 VAL 33 -0.272 -3.128 -1.039 268 HG21 VAL 33 1HG2 VAL 33 -2.935 -0.756 0.599 269 HG22 VAL 33 2HG2 VAL 33 -1.320 -0.804 1.306 270 HG23 VAL 33 3HG2 VAL 33 -1.776 0.523 0.237 271 H ALA 34 H ALA 34 1.549 -1.029 -1.892 272 HA ALA 34 HA ALA 34 1.307 -2.727 -4.274 273 HB1 ALA 34 1HB ALA 34 3.118 -1.747 -5.388 274 HB2 ALA 34 2HB ALA 34 2.164 -0.380 -4.808 275 HB3 ALA 34 3HB ALA 34 3.633 -0.857 -3.955 276 H THR 35 H THR 35 3.324 -4.066 -4.595 277 HA THR 35 HA THR 35 4.662 -4.678 -2.052 278 HB THR 35 HB THR 35 3.442 -6.750 -3.888 279 HG1 THR 35 1HG THR 35 2.152 -7.158 -1.968 280 HG21 THR 35 1HG2 THR 35 5.678 -7.050 -2.354 281 HG22 THR 35 2HG2 THR 35 4.574 -8.356 -2.787 282 HG23 THR 35 3HG2 THR 35 4.410 -7.540 -1.232 283 H VAL 36 H VAL 36 6.756 -4.364 -2.411 284 HA VAL 36 HA VAL 36 7.988 -4.283 -4.926 285 HB VAL 36 HB VAL 36 9.352 -4.837 -2.289 286 HG11 VAL 36 1HG1 VAL 36 10.307 -4.508 -4.973 287 HG12 VAL 36 2HG1 VAL 36 10.905 -3.196 -3.955 288 HG13 VAL 36 3HG1 VAL 36 11.211 -4.874 -3.504 289 HG21 VAL 36 1HG2 VAL 36 7.887 -2.861 -2.168 290 HG22 VAL 36 2HG2 VAL 36 9.594 -2.436 -2.051 291 HG23 VAL 36 3HG2 VAL 36 8.722 -2.175 -3.562 292 H ALA 37 H ALA 37 7.905 -6.017 -6.238 293 HA ALA 37 HA ALA 37 8.179 -8.706 -5.270 294 HB1 ALA 37 1HB ALA 37 8.539 -8.421 -8.126 295 HB2 ALA 37 2HB ALA 37 7.273 -9.256 -7.226 296 HB3 ALA 37 3HB ALA 37 7.130 -7.528 -7.552 297 H ASP 38 H ASP 38 10.146 -6.673 -7.446 298 HA ASP 38 HA ASP 38 12.542 -8.024 -6.438 299 HB2 ASP 38 1HB ASP 38 11.576 -8.901 -8.746 300 HB3 ASP 38 2HB ASP 38 12.396 -7.472 -9.369 301 H THR 39 H THR 39 14.251 -6.702 -6.148 302 HA THR 39 HA THR 39 13.895 -3.886 -6.913 303 HB THR 39 HB THR 39 15.509 -3.346 -5.150 304 HG1 THR 39 1HG THR 39 15.894 -5.321 -3.692 305 HG21 THR 39 1HG2 THR 39 13.130 -5.029 -4.426 306 HG22 THR 39 2HG2 THR 39 13.310 -3.276 -4.356 307 HG23 THR 39 3HG2 THR 39 14.143 -4.296 -3.183 308 H ASP 40 H ASP 40 14.923 -3.385 -8.734 309 HA ASP 40 HA ASP 40 17.303 -4.804 -9.562 310 HB2 ASP 40 1HB ASP 40 15.352 -3.896 -11.050 311 HB3 ASP 40 2HB ASP 40 16.241 -2.377 -10.966 312 H ASP 41 H ASP 41 18.975 -3.144 -10.691 313 HA ASP 41 HA ASP 41 20.623 -2.155 -8.787 314 HB2 ASP 41 1HB ASP 41 20.162 -1.079 -11.573 315 HB3 ASP 41 2HB ASP 41 21.503 -0.574 -10.548 316 H HIS 42 H HIS 42 18.605 0.066 -10.715 317 HA HIS 42 HA HIS 42 18.280 1.715 -8.295 318 HB2 HIS 42 1HB HIS 42 18.304 2.942 -11.029 319 HB3 HIS 42 2HB HIS 42 18.665 3.684 -9.473 320 HD1 HIS 42 1HD HIS 42 21.073 3.940 -8.925 321 HD2 HIS 42 2HD HIS 42 20.442 1.102 -11.892 322 HE1 HIS 42 1HE HIS 42 23.366 3.257 -9.701 323 HE2 HIS 42 2HE HIS 42 22.957 1.602 -11.555 324 H ARG 43 H ARG 43 16.513 -0.342 -9.275 325 HA ARG 43 HA ARG 43 14.099 1.267 -9.503 326 HB2 ARG 43 1HB ARG 43 14.596 -1.000 -11.433 327 HB3 ARG 43 2HB ARG 43 13.234 0.111 -11.416 328 HG2 ARG 43 1HG ARG 43 15.070 1.927 -11.765 329 HG3 ARG 43 2HG ARG 43 16.034 0.561 -12.331 330 HD2 ARG 43 1HD ARG 43 13.952 0.025 -13.784 331 HD3 ARG 43 2HD ARG 43 13.513 1.703 -13.469 332 HE ARG 43 HE ARG 43 15.235 2.391 -14.836 333 HH11 ARG 43 2HH1 ARG 43 15.483 -1.029 -14.236 334 HH12 ARG 43 1HH1 ARG 43 16.695 -1.286 -15.446 335 HH21 ARG 43 2HH2 ARG 43 16.831 2.066 -16.433 336 HH22 ARG 43 1HH2 ARG 43 17.462 0.475 -16.695 337 H VAL 44 H VAL 44 12.120 -0.285 -9.479 338 HA VAL 44 HA VAL 44 12.547 -2.790 -8.108 339 HB VAL 44 HB VAL 44 11.236 -2.208 -6.120 340 HG11 VAL 44 1HG1 VAL 44 13.527 -0.275 -6.361 341 HG12 VAL 44 2HG1 VAL 44 12.962 -1.127 -4.923 342 HG13 VAL 44 3HG1 VAL 44 13.759 -2.017 -6.220 343 HG21 VAL 44 1HG2 VAL 44 11.302 0.511 -5.879 344 HG22 VAL 44 2HG2 VAL 44 10.900 0.305 -7.584 345 HG23 VAL 44 3HG2 VAL 44 9.885 -0.431 -6.344 346 H LYS 45 H LYS 45 11.096 -4.143 -8.911 347 HA LYS 45 HA LYS 45 8.851 -3.239 -10.420 348 HB2 LYS 45 1HB LYS 45 10.243 -5.385 -10.742 349 HB3 LYS 45 2HB LYS 45 9.248 -6.063 -9.460 350 HG2 LYS 45 1HG LYS 45 7.239 -5.587 -10.800 351 HG3 LYS 45 2HG LYS 45 8.274 -4.985 -12.098 352 HD2 LYS 45 1HD LYS 45 9.425 -7.299 -11.924 353 HD3 LYS 45 2HD LYS 45 7.955 -7.783 -11.074 354 HE2 LYS 45 1HE LYS 45 7.398 -8.319 -13.234 355 HE3 LYS 45 2HE LYS 45 6.771 -6.675 -13.132 356 HZ1 LYS 45 1HZ LYS 45 8.059 -7.110 -15.171 357 HZ2 LYS 45 2HZ LYS 45 9.436 -7.385 -14.230 358 HZ3 LYS 45 3HZ LYS 45 8.712 -5.856 -14.242 359 H VAL 46 H VAL 46 7.233 -2.271 -9.341 360 HA VAL 46 HA VAL 46 6.376 -3.201 -6.743 361 HB VAL 46 HB VAL 46 4.591 -1.417 -7.042 362 HG11 VAL 46 1HG1 VAL 46 7.148 -1.264 -6.158 363 HG12 VAL 46 2HG1 VAL 46 7.141 0.000 -7.390 364 HG13 VAL 46 3HG1 VAL 46 5.981 0.055 -6.062 365 HG21 VAL 46 1HG2 VAL 46 4.325 -0.383 -8.992 366 HG22 VAL 46 2HG2 VAL 46 6.038 0.030 -9.064 367 HG23 VAL 46 3HG2 VAL 46 5.477 -1.519 -9.695 368 H HIS 47 H HIS 47 4.952 -4.770 -6.436 369 HA HIS 47 HA HIS 47 3.157 -5.509 -8.640 370 HB2 HIS 47 1HB HIS 47 4.548 -7.338 -7.912 371 HB3 HIS 47 2HB HIS 47 4.105 -7.067 -6.229 372 HD1 HIS 47 1HD HIS 47 3.211 -9.039 -9.125 373 HD2 HIS 47 2HD HIS 47 1.242 -7.623 -5.752 374 HE1 HIS 47 1HE HIS 47 1.128 -10.433 -8.928 375 HE2 HIS 47 2HE HIS 47 -0.090 -9.502 -6.929 376 H PHE 48 H PHE 48 1.118 -4.877 -8.507 377 HA PHE 48 HA PHE 48 0.038 -3.927 -5.992 378 HB2 PHE 48 1HB PHE 48 -1.054 -3.964 -8.808 379 HB3 PHE 48 2HB PHE 48 -1.966 -3.360 -7.429 380 HD1 PHE 48 1HD PHE 48 1.006 -2.809 -9.530 381 HD2 PHE 48 2HD PHE 48 -1.527 -1.223 -6.499 382 HE1 PHE 48 1HE PHE 48 2.065 -0.605 -9.804 383 HE2 PHE 48 2HE PHE 48 -0.473 0.984 -6.769 384 HZ PHE 48 HZ PHE 48 1.324 1.295 -8.423 385 H ASP 49 H ASP 49 -0.564 -5.510 -4.635 386 HA ASP 49 HA ASP 49 -1.469 -8.055 -5.324 387 HB2 ASP 49 1HB ASP 49 -0.742 -6.976 -3.012 388 HB3 ASP 49 2HB ASP 49 -2.483 -6.782 -2.822 389 H GLY 50 H GLY 50 -3.336 -8.808 -6.089 390 HA2 GLY 50 1HA GLY 50 -5.725 -8.938 -6.080 391 HA3 GLY 50 2HA GLY 50 -5.781 -7.230 -5.667 392 H TRP 51 H TRP 51 -4.023 -6.227 -7.599 393 HA TRP 51 HA TRP 51 -5.667 -5.705 -9.730 394 HB2 TRP 51 1HB TRP 51 -2.645 -5.767 -9.665 395 HB3 TRP 51 2HB TRP 51 -3.590 -5.061 -10.974 396 HD1 TRP 51 HD TRP 51 -4.812 -4.513 -7.421 397 HE1 TRP 51 1HE TRP 51 -4.476 -2.040 -6.790 398 HE3 TRP 51 3HE TRP 51 -2.040 -3.016 -11.447 399 HZ2 TRP 51 2HZ TRP 51 -3.205 0.242 -7.857 400 HZ3 TRP 51 3HZ TRP 51 -1.304 -0.672 -11.566 401 HH2 TRP 51 HH TRP 51 -1.876 0.923 -9.808 402 H ASN 52 H ASN 52 -5.116 -6.255 -12.098 403 HA ASN 52 HA ASN 52 -4.656 -9.156 -12.329 404 HB2 ASN 52 1HB ASN 52 -6.868 -7.464 -13.339 405 HB3 ASN 52 2HB ASN 52 -6.245 -8.672 -14.460 406 HD21 ASN 52 1HD2 ASN 52 -6.371 -10.871 -13.895 407 HD22 ASN 52 2HD2 ASN 52 -7.502 -11.428 -12.713 408 H ASN 53 H ASN 53 -4.558 -9.528 -14.966 409 HA ASN 53 HA ASN 53 -2.916 -9.557 -16.578 410 HB2 ASN 53 1HB ASN 53 -4.647 -7.721 -17.153 411 HB3 ASN 53 2HB ASN 53 -3.374 -6.587 -16.711 412 HD21 ASN 53 1HD2 ASN 53 -3.907 -9.462 -18.713 413 HD22 ASN 53 2HD2 ASN 53 -2.924 -8.935 -20.032 414 H CYS 54 H CYS 54 -1.716 -9.451 -14.080 415 HA CYS 54 HA CYS 54 0.088 -8.608 -12.887 416 HB2 CYS 54 1HB CYS 54 0.928 -9.569 -15.571 417 HB3 CYS 54 2HB CYS 54 2.143 -8.741 -14.604 418 HG CYS 54 HG CYS 54 2.808 -10.831 -13.289 419 H TYR 55 H TYR 55 -1.463 -6.454 -13.920 420 HA TYR 55 HA TYR 55 -0.442 -4.479 -15.375 421 HB2 TYR 55 1HB TYR 55 -1.854 -4.463 -12.764 422 HB3 TYR 55 2HB TYR 55 -1.117 -2.948 -13.272 423 HD1 TYR 55 1HD TYR 55 -1.683 -2.169 -15.701 424 HD2 TYR 55 2HD TYR 55 -3.986 -4.994 -13.506 425 HE1 TYR 55 1HE TYR 55 -3.617 -1.707 -17.149 426 HE2 TYR 55 2HE TYR 55 -5.926 -4.541 -14.949 427 HH TYR 55 HH TYR 55 -6.011 -3.497 -17.645 428 H ASP 56 H ASP 56 0.888 -5.554 -12.315 429 HA ASP 56 HA ASP 56 2.558 -3.663 -11.457 430 HB2 ASP 56 1HB ASP 56 3.858 -6.302 -11.963 431 HB3 ASP 56 2HB ASP 56 3.871 -5.306 -10.511 432 H TYR 57 H TYR 57 4.661 -2.895 -11.902 433 HA TYR 57 HA TYR 57 5.904 -3.566 -14.431 434 HB2 TYR 57 1HB TYR 57 5.976 -1.040 -14.999 435 HB3 TYR 57 2HB TYR 57 4.507 -1.940 -15.356 436 HD1 TYR 57 2HD TYR 57 6.012 0.087 -12.600 437 HD2 TYR 57 1HD TYR 57 2.486 -1.033 -14.702 438 HE1 TYR 57 2HE TYR 57 4.712 1.690 -11.261 439 HE2 TYR 57 1HE TYR 57 1.177 0.568 -13.370 440 HH TYR 57 HH TYR 57 1.854 1.703 -10.672 441 H TRP 58 H TRP 58 7.954 -2.271 -14.737 442 HA TRP 58 HA TRP 58 9.387 -2.253 -12.223 443 HB2 TRP 58 1HB TRP 58 10.142 -2.160 -15.111 444 HB3 TRP 58 2HB TRP 58 11.299 -1.567 -13.923 445 HD1 TRP 58 HD TRP 58 10.059 -4.713 -15.485 446 HE1 TRP 58 1HE TRP 58 11.159 -6.751 -14.360 447 HE3 TRP 58 3HE TRP 58 12.135 -2.384 -11.434 448 HZ2 TRP 58 2HZ TRP 58 12.701 -7.299 -12.061 449 HZ3 TRP 58 3HZ TRP 58 13.406 -3.737 -9.819 450 HH2 TRP 58 HH TRP 58 13.681 -6.144 -10.127 451 H ILE 59 H ILE 59 9.132 -0.485 -11.003 452 HA ILE 59 HA ILE 59 9.293 2.147 -12.314 453 HB ILE 59 HB ILE 59 7.194 1.594 -11.014 454 HG12 ILE 59 1HG1 ILE 59 8.698 3.946 -9.871 455 HG13 ILE 59 2HG1 ILE 59 8.118 3.920 -11.533 456 HG21 ILE 59 1HG2 ILE 59 9.168 1.668 -8.750 457 HG22 ILE 59 2HG2 ILE 59 7.443 1.943 -8.515 458 HG23 ILE 59 3HG2 ILE 59 8.010 0.401 -9.154 459 HD11 ILE 59 1HD1 ILE 59 6.088 3.233 -9.547 460 HD12 ILE 59 2HD1 ILE 59 6.728 4.870 -9.406 461 HD13 ILE 59 3HD1 ILE 59 6.011 4.332 -10.924 462 H ASP 60 H ASP 60 10.707 3.686 -11.560 463 HA ASP 60 HA ASP 60 13.083 2.776 -10.327 464 HB2 ASP 60 1HB ASP 60 12.057 5.552 -10.930 465 HB3 ASP 60 2HB ASP 60 13.653 5.243 -10.252 466 H ALA 61 H ALA 61 13.638 2.617 -8.255 467 HA ALA 61 HA ALA 61 11.792 2.981 -6.172 468 HB1 ALA 61 1HB ALA 61 14.401 1.915 -6.469 469 HB2 ALA 61 2HB ALA 61 14.425 3.035 -5.107 470 HB3 ALA 61 3HB ALA 61 13.272 1.701 -5.130 471 H ASP 62 H ASP 62 14.061 5.145 -7.641 472 HA ASP 62 HA ASP 62 13.814 7.079 -5.464 473 HB2 ASP 62 1HB ASP 62 15.604 6.801 -7.844 474 HB3 ASP 62 2HB ASP 62 15.362 8.399 -7.144 475 H SER 63 H SER 63 11.742 6.242 -7.621 476 HA SER 63 HA SER 63 11.263 8.610 -9.142 477 HB2 SER 63 1HB SER 63 10.487 6.195 -9.644 478 HB3 SER 63 2HB SER 63 9.168 6.537 -8.524 479 HG SER 63 HG SER 63 8.276 7.318 -10.273 480 HA PRO 64 HA PRO 64 9.216 11.061 -6.108 481 HB2 PRO 64 1HB PRO 64 7.851 12.716 -7.772 482 HB3 PRO 64 2HB PRO 64 9.596 12.838 -7.514 483 HG2 PRO 64 1HG PRO 64 8.099 11.547 -9.763 484 HG3 PRO 64 2HG PRO 64 9.545 12.572 -9.824 485 HD2 PRO 64 1HD PRO 64 9.664 9.873 -10.005 486 HD3 PRO 64 2HD PRO 64 10.952 10.837 -9.255 487 H ASP 65 H ASP 65 7.511 9.234 -8.509 488 HA ASP 65 HA ASP 65 4.880 9.790 -7.500 489 HB2 ASP 65 1HB ASP 65 5.457 7.355 -9.131 490 HB3 ASP 65 2HB ASP 65 4.091 8.465 -9.216 491 H ILE 66 H ILE 66 7.378 7.451 -6.876 492 HA ILE 66 HA ILE 66 5.737 5.543 -5.539 493 HB ILE 66 HB ILE 66 8.708 6.015 -5.584 494 HG12 ILE 66 1HG1 ILE 66 7.005 3.708 -6.551 495 HG13 ILE 66 2HG1 ILE 66 7.601 5.013 -7.572 496 HG21 ILE 66 1HG2 ILE 66 7.113 4.324 -3.752 497 HG22 ILE 66 2HG2 ILE 66 8.573 3.611 -4.437 498 HG23 ILE 66 3HG2 ILE 66 8.675 5.105 -3.506 499 HD11 ILE 66 1HD1 ILE 66 9.916 4.195 -6.523 500 HD12 ILE 66 2HD1 ILE 66 9.012 2.681 -6.456 501 HD13 ILE 66 3HD1 ILE 66 9.224 3.514 -7.995 502 H HIS 67 H HIS 67 4.888 5.648 -3.574 503 HA HIS 67 HA HIS 67 6.126 7.444 -1.594 504 HB2 HIS 67 1HB HIS 67 3.169 6.980 -2.036 505 HB3 HIS 67 2HB HIS 67 3.863 7.948 -0.738 506 HD1 HIS 67 1HD HIS 67 5.362 10.063 -1.658 507 HD2 HIS 67 2HD HIS 67 2.581 8.406 -4.261 508 HE1 HIS 67 1HE HIS 67 4.979 11.805 -3.430 509 HE2 HIS 67 2HE HIS 67 3.229 10.814 -4.947 510 HA PRO 68 HA PRO 68 6.290 3.906 1.020 511 HB2 PRO 68 1HB PRO 68 6.470 5.162 3.421 512 HB3 PRO 68 2HB PRO 68 7.811 5.090 2.271 513 HG2 PRO 68 1HG PRO 68 5.865 7.308 2.777 514 HG3 PRO 68 2HG PRO 68 7.619 7.393 2.527 515 HD2 PRO 68 1HD PRO 68 5.839 7.954 0.565 516 HD3 PRO 68 2HD PRO 68 7.427 7.232 0.236 517 H VAL 69 H VAL 69 5.158 2.877 2.827 518 HA VAL 69 HA VAL 69 2.354 3.067 2.579 519 HB VAL 69 HB VAL 69 4.120 1.625 4.543 520 HG11 VAL 69 1HG1 VAL 69 2.407 1.499 5.960 521 HG12 VAL 69 2HG1 VAL 69 1.306 2.252 4.805 522 HG13 VAL 69 3HG1 VAL 69 1.587 0.512 4.751 523 HG21 VAL 69 1HG2 VAL 69 2.809 -0.303 3.309 524 HG22 VAL 69 2HG2 VAL 69 2.622 0.934 2.065 525 HG23 VAL 69 3HG2 VAL 69 4.234 0.443 2.585 526 H GLY 70 H GLY 70 1.510 5.037 3.120 527 HA2 GLY 70 1HA GLY 70 0.361 5.880 5.203 528 HA3 GLY 70 2HA GLY 70 1.978 5.958 5.888 529 H TRP 71 H TRP 71 1.718 6.753 2.568 530 HA TRP 71 HA TRP 71 2.574 9.442 3.076 531 HB2 TRP 71 1HB TRP 71 3.544 8.535 1.157 532 HB3 TRP 71 2HB TRP 71 2.029 7.822 0.609 533 HD1 TRP 71 HD TRP 71 4.204 10.792 0.105 534 HE1 TRP 71 1HE TRP 71 3.038 12.499 -1.429 535 HE3 TRP 71 3HE TRP 71 -0.509 8.811 0.120 536 HZ2 TRP 71 2HZ TRP 71 0.462 12.946 -2.491 537 HZ3 TRP 71 3HZ TRP 71 -2.267 9.939 -1.180 538 HH2 TRP 71 HH TRP 71 -1.790 11.964 -2.458 539 H CYS 72 H CYS 72 -0.447 7.880 2.495 540 HA CYS 72 HA CYS 72 -1.994 9.854 1.358 541 HB2 CYS 72 1HB CYS 72 -3.913 8.827 2.522 542 HB3 CYS 72 2HB CYS 72 -2.851 7.617 1.811 543 HG CYS 72 HG CYS 72 -3.105 6.262 4.003 544 H SER 73 H SER 73 -1.105 9.461 4.762 545 HA SER 73 HA SER 73 -2.637 11.690 5.668 546 HB2 SER 73 1HB SER 73 -0.537 9.926 6.874 547 HB3 SER 73 2HB SER 73 -0.986 11.420 7.696 548 HG SER 73 HG SER 73 -2.229 9.142 7.838 549 H LYS 74 H LYS 74 0.849 11.198 5.135 550 HA LYS 74 HA LYS 74 1.977 13.510 5.844 551 HB2 LYS 74 1HB LYS 74 2.373 11.916 3.327 552 HB3 LYS 74 2HB LYS 74 3.333 13.356 3.640 553 HG2 LYS 74 1HG LYS 74 4.224 12.389 5.652 554 HG3 LYS 74 2HG LYS 74 3.161 10.989 5.492 555 HD2 LYS 74 1HD LYS 74 5.228 10.246 4.679 556 HD3 LYS 74 2HD LYS 74 4.297 10.620 3.226 557 HE2 LYS 74 1HE LYS 74 5.397 12.871 3.212 558 HE3 LYS 74 2HE LYS 74 6.434 12.306 4.522 559 HZ1 LYS 74 1HZ LYS 74 7.731 11.802 2.744 560 HZ2 LYS 74 2HZ LYS 74 6.427 11.548 1.697 561 HZ3 LYS 74 3HZ LYS 74 6.849 10.360 2.826 562 H THR 75 H THR 75 0.680 13.177 2.536 563 HA THR 75 HA THR 75 0.590 16.029 2.194 564 HB THR 75 HB THR 75 -0.365 15.553 -0.012 565 HG1 THR 75 1HG THR 75 -0.586 12.952 1.077 566 HG21 THR 75 1HG2 THR 75 1.970 15.477 -0.059 567 HG22 THR 75 2HG2 THR 75 1.496 13.951 -0.807 568 HG23 THR 75 3HG2 THR 75 2.034 13.981 0.873 569 H GLY 76 H GLY 76 -1.837 13.442 2.475 570 HA2 GLY 76 1HA GLY 76 -3.787 13.916 3.890 571 HA3 GLY 76 2HA GLY 76 -3.804 15.528 3.191 572 H HIS 77 H HIS 77 -3.254 12.599 1.340 573 HA HIS 77 HA HIS 77 -5.788 13.108 -0.067 574 HB2 HIS 77 1HB HIS 77 -3.106 12.169 -0.959 575 HB3 HIS 77 2HB HIS 77 -4.515 11.526 -1.798 576 HD1 HIS 77 1HD HIS 77 -4.161 15.078 -0.553 577 HD2 HIS 77 2HD HIS 77 -4.299 12.959 -4.124 578 HE1 HIS 77 1HE HIS 77 -4.284 16.819 -2.364 579 HE2 HIS 77 2HE HIS 77 -4.453 15.512 -4.510 580 HA PRO 78 HA PRO 78 -7.415 9.252 1.266 581 HB2 PRO 78 1HB PRO 78 -9.047 8.665 -0.823 582 HB3 PRO 78 2HB PRO 78 -9.411 9.932 0.354 583 HG2 PRO 78 1HG PRO 78 -8.228 10.176 -2.384 584 HG3 PRO 78 2HG PRO 78 -9.471 11.175 -1.610 585 HD2 PRO 78 1HD PRO 78 -6.880 11.943 -1.778 586 HD3 PRO 78 2HD PRO 78 -7.923 12.396 -0.415 587 H LEU 79 H LEU 79 -7.109 7.059 1.050 588 HA LEU 79 HA LEU 79 -5.435 6.206 -1.220 589 HB2 LEU 79 1HB LEU 79 -4.318 6.194 0.989 590 HB3 LEU 79 2HB LEU 79 -5.526 5.044 1.560 591 HG LEU 79 HG LEU 79 -4.664 3.581 -0.421 592 HD11 LEU 79 1HD1 LEU 79 -2.906 5.826 -0.558 593 HD12 LEU 79 2HD1 LEU 79 -2.965 4.395 -1.586 594 HD13 LEU 79 3HD1 LEU 79 -1.982 4.387 -0.122 595 HD21 LEU 79 1HD2 LEU 79 -4.442 3.222 2.084 596 HD22 LEU 79 2HD2 LEU 79 -2.833 3.930 1.937 597 HD23 LEU 79 3HD2 LEU 79 -3.229 2.450 1.062 598 H GLN 80 H GLN 80 -5.841 4.211 -2.186 599 HA GLN 80 HA GLN 80 -8.487 3.073 -1.575 600 HB2 GLN 80 1HB GLN 80 -7.000 2.966 -4.203 601 HB3 GLN 80 2HB GLN 80 -8.642 2.416 -3.902 602 HG2 GLN 80 1HG GLN 80 -7.799 5.273 -3.538 603 HG3 GLN 80 2HG GLN 80 -8.387 4.636 -5.073 604 HE21 GLN 80 1HE2 GLN 80 -9.216 5.394 -1.775 605 HE22 GLN 80 2HE2 GLN 80 -10.930 5.365 -1.989 606 HA PRO 81 HA PRO 81 -6.355 -0.620 -0.394 607 HB2 PRO 81 1HB PRO 81 -8.527 -2.245 -0.285 608 HB3 PRO 81 2HB PRO 81 -8.167 -1.038 0.955 609 HG2 PRO 81 1HG PRO 81 -10.080 -0.881 -1.342 610 HG3 PRO 81 2HG PRO 81 -10.304 -0.361 0.338 611 HD2 PRO 81 1HD PRO 81 -9.708 1.371 -1.656 612 HD3 PRO 81 2HD PRO 81 -9.154 1.610 0.014 613 HA PRO 82 HA PRO 82 -5.660 -2.922 -4.082 614 HB2 PRO 82 1HB PRO 82 -4.947 -5.327 -3.045 615 HB3 PRO 82 2HB PRO 82 -3.898 -3.906 -2.983 616 HG2 PRO 82 1HG PRO 82 -5.682 -5.037 -0.862 617 HG3 PRO 82 2HG PRO 82 -4.029 -4.412 -0.717 618 HD2 PRO 82 1HD PRO 82 -6.204 -2.956 -0.020 619 HD3 PRO 82 2HD PRO 82 -4.729 -2.216 -0.675 620 H LEU 83 H LEU 83 -6.430 -4.704 -5.359 621 HA LEU 83 HA LEU 83 -9.201 -5.170 -5.100 622 HB2 LEU 83 1HB LEU 83 -7.035 -6.116 -6.894 623 HB3 LEU 83 2HB LEU 83 -8.529 -7.050 -6.859 624 HG LEU 83 HG LEU 83 -9.738 -4.892 -7.397 625 HD11 LEU 83 1HD1 LEU 83 -7.926 -3.372 -6.732 626 HD12 LEU 83 2HD1 LEU 83 -8.445 -3.103 -8.396 627 HD13 LEU 83 3HD1 LEU 83 -6.946 -3.973 -8.070 628 HD21 LEU 83 1HD2 LEU 83 -9.079 -4.988 -9.805 629 HD22 LEU 83 2HD2 LEU 83 -9.462 -6.554 -9.090 630 HD23 LEU 83 3HD2 LEU 83 -7.780 -6.090 -9.349 631 H SER 84 H SER 84 -10.349 -6.816 -4.249 632 HA SER 84 HA SER 84 -9.159 -8.500 -2.322 633 HB2 SER 84 1HB SER 84 -11.881 -8.167 -3.476 634 HB3 SER 84 2HB SER 84 -11.539 -9.685 -2.647 635 HG SER 84 HG SER 84 -12.234 -7.472 -1.520 636 HA PRO 85 HA PRO 85 -7.979 -12.113 -4.509 637 HB2 PRO 85 1HB PRO 85 -8.791 -14.106 -2.853 638 HB3 PRO 85 2HB PRO 85 -7.423 -13.049 -2.485 639 HG2 PRO 85 1HG PRO 85 -10.245 -12.908 -1.497 640 HG3 PRO 85 2HG PRO 85 -8.733 -12.689 -0.598 641 HD2 PRO 85 1HD PRO 85 -10.240 -10.605 -1.442 642 HD3 PRO 85 2HD PRO 85 -8.472 -10.516 -1.319 643 H LEU 86 H LEU 86 -11.142 -11.234 -4.282 644 HA LEU 86 HA LEU 86 -12.230 -13.661 -5.488 645 HB2 LEU 86 1HB LEU 86 -14.399 -12.538 -5.284 646 HB3 LEU 86 2HB LEU 86 -13.548 -12.644 -3.744 647 HG LEU 86 HG LEU 86 -12.788 -10.190 -4.447 648 HD11 LEU 86 1HD1 LEU 86 -15.524 -9.838 -5.374 649 HD12 LEU 86 2HD1 LEU 86 -14.525 -10.760 -6.498 650 HD13 LEU 86 3HD1 LEU 86 -14.019 -9.150 -5.987 651 HD21 LEU 86 1HD2 LEU 86 -13.796 -10.023 -2.465 652 HD22 LEU 86 2HD2 LEU 86 -14.923 -11.328 -2.837 653 HD23 LEU 86 3HD2 LEU 86 -15.274 -9.682 -3.366 654 H GLU 87 H GLU 87 -11.311 -10.400 -6.294 655 HA GLU 87 HA GLU 87 -12.678 -10.148 -8.741 656 HB2 GLU 87 1HB GLU 87 -10.042 -8.918 -7.917 657 HB3 GLU 87 2HB GLU 87 -11.048 -8.383 -9.255 658 HG2 GLU 87 1HG GLU 87 -12.854 -8.198 -7.321 659 HG3 GLU 87 2HG GLU 87 -11.402 -8.004 -6.341 660 H LEU 88 H LEU 88 -9.698 -11.741 -7.864 661 HA LEU 88 HA LEU 88 -9.032 -12.250 -10.659 662 HB2 LEU 88 1HB LEU 88 -6.991 -13.281 -9.749 663 HB3 LEU 88 2HB LEU 88 -7.204 -11.607 -9.241 664 HG LEU 88 HG LEU 88 -8.279 -12.805 -7.119 665 HD11 LEU 88 1HD1 LEU 88 -8.056 -15.027 -7.284 666 HD12 LEU 88 2HD1 LEU 88 -6.375 -14.730 -6.845 667 HD13 LEU 88 3HD1 LEU 88 -6.824 -14.911 -8.541 668 HD21 LEU 88 1HD2 LEU 88 -6.238 -11.248 -7.405 669 HD22 LEU 88 2HD2 LEU 88 -5.293 -12.735 -7.325 670 HD23 LEU 88 3HD2 LEU 88 -6.331 -12.276 -5.974 671 H MET 89 H MET 89 -11.426 -13.420 -9.664 672 HA MET 89 HA MET 89 -10.807 -16.230 -9.221 673 HB2 MET 89 1HB MET 89 -13.262 -14.543 -9.052 674 HB3 MET 89 2HB MET 89 -13.456 -16.269 -9.327 675 HG2 MET 89 1HG MET 89 -12.183 -16.738 -7.297 676 HG3 MET 89 2HG MET 89 -11.987 -15.009 -7.023 677 HE1 MET 89 1HE MET 89 -13.302 -15.200 -4.409 678 HE2 MET 89 2HE MET 89 -14.484 -16.505 -4.313 679 HE3 MET 89 3HE MET 89 -12.859 -16.829 -4.918 680 H GLU 90 H GLU 90 -10.041 -17.069 -11.111 681 HA GLU 90 HA GLU 90 -11.769 -16.819 -13.483 682 HB2 GLU 90 1HB GLU 90 -9.313 -16.025 -13.542 683 HB3 GLU 90 2HB GLU 90 -8.906 -17.736 -13.550 684 HG2 GLU 90 1HG GLU 90 -10.854 -16.686 -15.545 685 HG3 GLU 90 2HG GLU 90 -9.129 -16.413 -15.783 686 H ALA 91 H ALA 91 -12.550 -18.617 -14.468 687 HA ALA 91 HA ALA 91 -12.765 -21.007 -13.003 688 HB1 ALA 91 1HB ALA 91 -14.137 -21.768 -14.689 689 HB2 ALA 91 2HB ALA 91 -14.260 -20.021 -14.898 690 HB3 ALA 91 3HB ALA 91 -13.208 -20.963 -15.954 691 H SER 92 H SER 92 -10.911 -22.067 -12.521 692 HA SER 92 HA SER 92 -9.566 -23.437 -14.686 693 HB2 SER 92 1HB SER 92 -8.149 -21.549 -14.711 694 HB3 SER 92 2HB SER 92 -8.171 -21.404 -12.953 695 HG SER 92 HG SER 92 -6.220 -22.339 -13.857 696 H GLU 93 H GLU 93 -9.536 -25.478 -14.044 697 HA GLU 93 HA GLU 93 -10.118 -26.496 -11.586 698 HB2 GLU 93 1HB GLU 93 -8.389 -27.573 -13.796 699 HB3 GLU 93 2HB GLU 93 -8.649 -28.495 -12.322 700 HG2 GLU 93 1HG GLU 93 -11.124 -28.248 -12.755 701 HG3 GLU 93 2HG GLU 93 -10.689 -27.634 -14.349 702 H HIS 94 H HIS 94 -9.239 -25.874 -9.716 703 HA HIS 94 HA HIS 94 -6.332 -25.541 -9.538 704 HB2 HIS 94 1HB HIS 94 -8.061 -23.789 -8.709 705 HB3 HIS 94 2HB HIS 94 -8.264 -24.873 -7.335 706 HD1 HIS 94 1HD HIS 94 -7.256 -23.137 -5.712 707 HD2 HIS 94 2HD HIS 94 -4.675 -24.322 -8.744 708 HE1 HIS 94 1HE HIS 94 -4.986 -22.296 -5.030 709 HE2 HIS 94 2HE HIS 94 -3.456 -22.951 -6.920 710 H GLY 95 H GLY 95 -5.421 -26.200 -7.305 711 HA2 GLY 95 1HA GLY 95 -6.292 -28.973 -6.824 712 HA3 GLY 95 2HA GLY 95 -4.671 -28.356 -6.539 713 H GLY 96 H GLY 96 -4.330 -28.625 -4.417 714 HA2 GLY 96 1HA GLY 96 -4.699 -28.591 -2.139 715 HA3 GLY 96 2HA GLY 96 -5.268 -26.963 -2.476 716 H CYS 97 H CYS 97 -6.615 -30.178 -3.206 717 HA CYS 97 HA CYS 97 -9.233 -29.283 -2.370 718 HB2 CYS 97 1HB CYS 97 -8.286 -31.971 -3.385 719 HB3 CYS 97 2HB CYS 97 -9.966 -31.538 -3.093 720 HG CYS 97 HG CYS 97 -9.263 -31.552 -5.880 721 H SER 98 H SER 98 -9.396 -29.069 -0.203 722 HA SER 98 HA SER 98 -9.543 -31.427 1.394 723 HB2 SER 98 1HB SER 98 -7.277 -29.493 1.928 724 HB3 SER 98 2HB SER 98 -7.809 -30.738 3.057 725 HG SER 98 HG SER 98 -5.994 -31.141 1.415 726 H THR 99 H THR 99 -10.817 -31.120 3.156 727 HA THR 99 HA THR 99 -11.276 -28.479 4.237 728 HB THR 99 HB THR 99 -12.840 -28.283 2.464 729 HG1 THR 99 1HG THR 99 -13.585 -28.115 4.858 730 HG21 THR 99 1HG2 THR 99 -14.265 -29.942 1.676 731 HG22 THR 99 2HG2 THR 99 -14.193 -30.859 3.181 732 HG23 THR 99 3HG2 THR 99 -12.811 -30.852 2.085 733 HA PRO 100 HA PRO 100 -11.718 -31.131 7.768 734 HB2 PRO 100 1HB PRO 100 -12.293 -29.173 9.558 735 HB3 PRO 100 2HB PRO 100 -10.661 -29.467 8.948 736 HG2 PRO 100 1HG PRO 100 -12.661 -27.410 8.093 737 HG3 PRO 100 2HG PRO 100 -10.917 -27.231 8.360 738 HD2 PRO 100 1HD PRO 100 -11.993 -27.499 5.889 739 HD3 PRO 100 2HD PRO 100 -10.383 -28.124 6.303 740 H GLY 101 H GLY 101 -13.363 -31.799 9.257 741 HA2 GLY 101 1HA GLY 101 -16.026 -30.664 8.954 742 HA3 GLY 101 2HA GLY 101 -15.825 -32.309 8.370 743 H SER 102 H SER 102 -16.660 -30.442 10.991 744 HA SER 102 HA SER 102 -17.011 -32.699 12.684 745 HB2 SER 102 1HB SER 102 -15.458 -32.225 14.431 746 HB3 SER 102 2HB SER 102 -14.529 -32.209 12.932 747 HG SER 102 HG SER 102 -15.432 -30.001 14.457 748 H GLY 103 H GLY 103 -17.749 -31.958 14.939 749 HA2 GLY 103 1HA GLY 103 -18.573 -29.356 15.487 750 HA3 GLY 103 2HA GLY 103 -19.878 -30.122 14.595 751 HA PRO 104 HA PRO 104 -19.256 -32.233 18.951 752 HB2 PRO 104 1HB PRO 104 -18.531 -30.438 20.855 753 HB3 PRO 104 2HB PRO 104 -17.360 -31.405 19.950 754 HG2 PRO 104 1HG PRO 104 -18.213 -28.568 19.516 755 HG3 PRO 104 2HG PRO 104 -16.584 -29.267 19.463 756 HD2 PRO 104 1HD PRO 104 -18.013 -28.730 17.226 757 HD3 PRO 104 2HD PRO 104 -16.868 -30.083 17.326 758 H SER 105 H SER 105 -20.548 -31.898 21.004 759 HA SER 105 HA SER 105 -22.630 -29.853 20.700 760 HB2 SER 105 1HB SER 105 -24.408 -31.429 21.006 761 HB3 SER 105 2HB SER 105 -23.383 -32.058 19.717 762 HG SER 105 HG SER 105 -23.841 -33.040 22.263 763 H SER 106 H SER 106 -24.182 -30.121 22.743 764 HA SER 106 HA SER 106 -22.626 -30.709 25.145 765 HB2 SER 106 1HB SER 106 -23.136 -28.528 26.146 766 HB3 SER 106 2HB SER 106 -22.203 -28.327 24.663 767 HG SER 106 HG SER 106 -23.967 -27.583 23.633 768 H GLY 107 H GLY 107 -23.875 -31.107 26.994 769 HA2 GLY 107 1HA GLY 107 -26.123 -30.913 28.037 770 HA3 GLY 107 2HA GLY 107 -26.772 -31.368 26.468 Start of MODEL 17 1 H1 GLY 1 H GLY 1 12.056 -17.212 4.944 2 HA2 GLY 1 1HA GLY 1 12.733 -17.732 2.628 3 HA3 GLY 1 2HA GLY 1 12.349 -16.062 2.237 4 H SER 2 H SER 2 14.712 -18.235 3.455 5 HA SER 2 HA SER 2 16.557 -15.985 3.924 6 HB2 SER 2 1HB SER 2 16.423 -18.733 5.155 7 HB3 SER 2 2HB SER 2 17.891 -17.758 5.226 8 HG SER 2 HG SER 2 16.951 -16.409 6.583 9 H SER 3 H SER 3 17.413 -15.717 1.910 10 HA SER 3 HA SER 3 18.217 -17.915 0.262 11 HB2 SER 3 1HB SER 3 18.560 -14.930 0.095 12 HB3 SER 3 2HB SER 3 19.376 -16.001 -1.043 13 HG SER 3 HG SER 3 16.941 -15.120 -1.229 14 H GLY 4 H GLY 4 20.096 -15.320 1.846 15 HA2 GLY 4 1HA GLY 4 21.956 -16.374 3.286 16 HA3 GLY 4 2HA GLY 4 22.444 -17.094 1.759 17 H SER 5 H SER 5 21.594 -13.878 3.048 18 HA SER 5 HA SER 5 23.809 -12.773 1.451 19 HB2 SER 5 1HB SER 5 22.620 -10.749 1.230 20 HB3 SER 5 2HB SER 5 21.392 -11.997 1.013 21 HG SER 5 HG SER 5 20.572 -10.523 2.446 22 H SER 6 H SER 6 25.485 -11.920 2.492 23 HA SER 6 HA SER 6 25.138 -11.031 5.270 24 HB2 SER 6 1HB SER 6 27.137 -12.158 5.988 25 HB3 SER 6 2HB SER 6 26.116 -13.351 5.184 26 HG SER 6 HG SER 6 28.220 -13.556 4.433 27 H GLY 7 H GLY 7 26.286 -9.238 5.844 28 HA2 GLY 7 1HA GLY 7 27.365 -7.239 5.488 29 HA3 GLY 7 2HA GLY 7 28.607 -8.239 4.750 30 H VAL 8 H VAL 8 25.340 -7.083 3.895 31 HA VAL 8 HA VAL 8 26.449 -6.180 1.321 32 HB VAL 8 HB VAL 8 25.167 -8.262 0.991 33 HG11 VAL 8 1HG1 VAL 8 23.311 -6.926 2.744 34 HG12 VAL 8 2HG1 VAL 8 22.516 -7.427 1.250 35 HG13 VAL 8 3HG1 VAL 8 23.363 -8.615 2.242 36 HG21 VAL 8 1HG2 VAL 8 24.019 -5.722 -0.146 37 HG22 VAL 8 2HG2 VAL 8 25.233 -6.782 -0.862 38 HG23 VAL 8 3HG2 VAL 8 23.562 -7.326 -0.719 39 H LYS 9 H LYS 9 25.615 -4.287 0.481 40 HA LYS 9 HA LYS 9 23.900 -2.750 2.316 41 HB2 LYS 9 1HB LYS 9 25.882 -1.722 0.277 42 HB3 LYS 9 2HB LYS 9 24.927 -0.734 1.375 43 HG2 LYS 9 1HG LYS 9 26.931 -0.802 2.474 44 HG3 LYS 9 2HG LYS 9 26.100 -2.171 3.217 45 HD2 LYS 9 1HD LYS 9 28.196 -3.040 2.712 46 HD3 LYS 9 2HD LYS 9 27.209 -3.565 1.345 47 HE2 LYS 9 1HE LYS 9 28.147 -1.984 -0.090 48 HE3 LYS 9 2HE LYS 9 28.747 -0.994 1.240 49 HZ1 LYS 9 1HZ LYS 9 30.393 -2.442 -0.074 50 HZ2 LYS 9 2HZ LYS 9 29.774 -3.727 0.835 51 HZ3 LYS 9 3HZ LYS 9 30.510 -2.418 1.614 52 HA PRO 10 HA PRO 10 20.770 -2.607 -0.776 53 HB2 PRO 10 1HB PRO 10 19.470 -0.364 0.029 54 HB3 PRO 10 2HB PRO 10 19.361 -1.901 0.896 55 HG2 PRO 10 1HG PRO 10 21.055 0.494 1.491 56 HG3 PRO 10 2HG PRO 10 20.125 -0.523 2.607 57 HD2 PRO 10 1HD PRO 10 22.800 -0.785 2.283 58 HD3 PRO 10 2HD PRO 10 21.745 -2.162 2.662 59 HA PRO 11 HA PRO 11 22.423 0.073 -3.896 60 HB2 PRO 11 1HB PRO 11 20.475 -0.307 -5.749 61 HB3 PRO 11 2HB PRO 11 21.720 -1.513 -5.402 62 HG2 PRO 11 1HG PRO 11 18.893 -1.375 -4.428 63 HG3 PRO 11 2HG PRO 11 19.809 -2.778 -5.008 64 HD2 PRO 11 1HD PRO 11 19.427 -2.274 -2.375 65 HD3 PRO 11 2HD PRO 11 20.894 -3.061 -2.994 66 H HIS 12 H HIS 12 18.913 0.241 -3.280 67 HA HIS 12 HA HIS 12 19.098 3.169 -3.565 68 HB2 HIS 12 1HB HIS 12 16.506 2.817 -4.018 69 HB3 HIS 12 2HB HIS 12 17.692 2.676 -5.311 70 HD1 HIS 12 1HD HIS 12 15.991 0.354 -2.817 71 HD2 HIS 12 2HD HIS 12 17.428 0.385 -6.715 72 HE1 HIS 12 1HE HIS 12 15.403 -1.899 -3.768 73 HE2 HIS 12 2HE HIS 12 16.358 -1.888 -6.099 74 H GLY 13 H GLY 13 18.065 0.493 -1.632 75 HA2 GLY 13 1HA GLY 13 17.987 1.006 0.792 76 HA3 GLY 13 2HA GLY 13 16.999 2.395 0.364 77 H PHE 14 H PHE 14 15.252 1.271 -1.458 78 HA PHE 14 HA PHE 14 13.208 0.312 0.081 79 HB2 PHE 14 1HB PHE 14 13.842 0.029 -2.832 80 HB3 PHE 14 2HB PHE 14 12.451 -0.819 -2.165 81 HD1 PHE 14 1HD PHE 14 13.882 2.576 -1.581 82 HD2 PHE 14 2HD PHE 14 10.517 0.255 -2.766 83 HE1 PHE 14 1HE PHE 14 12.541 4.629 -1.780 84 HE2 PHE 14 2HE PHE 14 9.171 2.304 -2.969 85 HZ PHE 14 HZ PHE 14 10.182 4.495 -2.476 86 H GLN 15 H GLN 15 12.211 -1.805 0.245 87 HA GLN 15 HA GLN 15 14.137 -4.023 0.078 88 HB2 GLN 15 1HB GLN 15 12.173 -3.559 2.328 89 HB3 GLN 15 2HB GLN 15 13.301 -4.902 2.194 90 HG2 GLN 15 1HG GLN 15 15.174 -3.323 2.333 91 HG3 GLN 15 2HG GLN 15 14.026 -1.999 2.519 92 HE21 GLN 15 1HE2 GLN 15 14.335 -5.246 3.922 93 HE22 GLN 15 2HE2 GLN 15 14.243 -4.729 5.568 94 H LYS 16 H LYS 16 13.106 -6.175 0.073 95 HA LYS 16 HA LYS 16 10.739 -6.123 -1.623 96 HB2 LYS 16 1HB LYS 16 12.906 -8.076 -1.048 97 HB3 LYS 16 2HB LYS 16 11.341 -8.729 -1.515 98 HG2 LYS 16 1HG LYS 16 11.474 -7.911 -3.639 99 HG3 LYS 16 2HG LYS 16 12.496 -6.550 -3.170 100 HD2 LYS 16 1HD LYS 16 13.386 -9.432 -3.279 101 HD3 LYS 16 2HD LYS 16 13.699 -8.226 -4.529 102 HE2 LYS 16 1HE LYS 16 15.638 -8.006 -3.375 103 HE3 LYS 16 2HE LYS 16 14.655 -6.898 -2.421 104 HZ1 LYS 16 1HZ LYS 16 15.141 -8.142 -0.671 105 HZ2 LYS 16 2HZ LYS 16 15.900 -9.315 -1.624 106 HZ3 LYS 16 3HZ LYS 16 14.234 -9.402 -1.345 107 H LYS 17 H LYS 17 9.037 -7.785 -1.261 108 HA LYS 17 HA LYS 17 7.368 -8.673 0.003 109 HB2 LYS 17 1HB LYS 17 9.423 -8.982 2.192 110 HB3 LYS 17 2HB LYS 17 7.950 -9.915 1.967 111 HG2 LYS 17 1HG LYS 17 8.938 -10.734 -0.201 112 HG3 LYS 17 2HG LYS 17 10.456 -9.993 0.311 113 HD2 LYS 17 1HD LYS 17 9.032 -11.859 2.159 114 HD3 LYS 17 2HD LYS 17 9.977 -12.515 0.819 115 HE2 LYS 17 1HE LYS 17 11.379 -12.418 2.761 116 HE3 LYS 17 2HE LYS 17 11.921 -11.187 1.621 117 HZ1 LYS 17 1HZ LYS 17 11.229 -9.506 2.962 118 HZ2 LYS 17 2HZ LYS 17 11.576 -10.654 4.155 119 HZ3 LYS 17 3HZ LYS 17 9.977 -10.403 3.663 120 H MET 18 H MET 18 8.103 -5.783 0.170 121 HA MET 18 HA MET 18 6.865 -5.174 2.773 122 HB2 MET 18 1HB MET 18 8.040 -3.139 2.860 123 HB3 MET 18 2HB MET 18 9.224 -4.310 2.294 124 HG2 MET 18 1HG MET 18 8.988 -3.537 0.033 125 HG3 MET 18 2HG MET 18 7.669 -2.465 0.499 126 HE1 MET 18 1HE MET 18 10.116 -0.431 -0.879 127 HE2 MET 18 2HE MET 18 8.403 -0.678 -0.536 128 HE3 MET 18 3HE MET 18 9.304 0.571 0.325 129 H LYS 19 H LYS 19 5.890 -2.763 2.545 130 HA LYS 19 HA LYS 19 4.112 -2.832 0.195 131 HB2 LYS 19 1HB LYS 19 3.504 -2.096 3.058 132 HB3 LYS 19 2HB LYS 19 2.434 -1.690 1.722 133 HG2 LYS 19 1HG LYS 19 3.268 -4.472 2.520 134 HG3 LYS 19 2HG LYS 19 1.715 -3.713 2.877 135 HD2 LYS 19 1HD LYS 19 1.328 -3.477 0.437 136 HD3 LYS 19 2HD LYS 19 2.828 -4.361 0.147 137 HE2 LYS 19 1HE LYS 19 0.681 -5.533 1.872 138 HE3 LYS 19 2HE LYS 19 0.568 -5.635 0.116 139 HZ1 LYS 19 1HZ LYS 19 2.137 -7.183 1.888 140 HZ2 LYS 19 2HZ LYS 19 3.142 -6.400 0.776 141 HZ3 LYS 19 3HZ LYS 19 1.888 -7.394 0.228 142 H LEU 20 H LEU 20 3.533 -0.866 -0.750 143 HA LEU 20 HA LEU 20 4.502 1.630 0.295 144 HB2 LEU 20 1HB LEU 20 6.230 2.074 -1.104 145 HB3 LEU 20 2HB LEU 20 6.405 0.324 -0.994 146 HG LEU 20 HG LEU 20 4.832 0.444 -3.149 147 HD11 LEU 20 1HD1 LEU 20 5.903 3.153 -2.797 148 HD12 LEU 20 2HD1 LEU 20 4.519 2.588 -3.731 149 HD13 LEU 20 3HD1 LEU 20 6.145 2.457 -4.400 150 HD21 LEU 20 1HD2 LEU 20 7.732 0.376 -2.697 151 HD22 LEU 20 2HD2 LEU 20 7.245 0.797 -4.339 152 HD23 LEU 20 3HD2 LEU 20 6.698 -0.717 -3.617 153 H GLU 21 H GLU 21 3.412 3.354 -0.538 154 HA GLU 21 HA GLU 21 1.131 2.764 -2.200 155 HB2 GLU 21 1HB GLU 21 2.101 5.286 -0.859 156 HB3 GLU 21 2HB GLU 21 0.666 5.237 -1.874 157 HG2 GLU 21 1HG GLU 21 -0.317 3.560 -0.373 158 HG3 GLU 21 2HG GLU 21 1.107 3.672 0.659 159 H VAL 22 H VAL 22 1.241 2.737 -4.337 160 HA VAL 22 HA VAL 22 3.200 4.479 -5.680 161 HB VAL 22 HB VAL 22 1.865 2.032 -6.837 162 HG11 VAL 22 1HG1 VAL 22 2.695 2.814 -8.747 163 HG12 VAL 22 2HG1 VAL 22 3.547 4.114 -7.912 164 HG13 VAL 22 3HG1 VAL 22 4.306 2.531 -8.087 165 HG21 VAL 22 1HG2 VAL 22 4.654 2.241 -5.711 166 HG22 VAL 22 2HG2 VAL 22 3.293 1.499 -4.870 167 HG23 VAL 22 3HG2 VAL 22 3.880 0.805 -6.381 168 H VAL 23 H VAL 23 2.582 5.690 -7.479 169 HA VAL 23 HA VAL 23 -0.245 6.385 -7.535 170 HB VAL 23 HB VAL 23 2.125 7.673 -8.895 171 HG11 VAL 23 1HG1 VAL 23 -0.200 7.872 -9.991 172 HG12 VAL 23 2HG1 VAL 23 -0.590 8.910 -8.618 173 HG13 VAL 23 3HG1 VAL 23 0.728 9.345 -9.708 174 HG21 VAL 23 1HG2 VAL 23 2.002 7.819 -6.392 175 HG22 VAL 23 2HG2 VAL 23 1.984 9.371 -7.230 176 HG23 VAL 23 3HG2 VAL 23 0.486 8.699 -6.586 177 H ASP 24 H ASP 24 -1.543 5.341 -8.884 178 HA ASP 24 HA ASP 24 -0.802 3.643 -10.936 179 HB2 ASP 24 1HB ASP 24 -3.108 4.001 -9.800 180 HB3 ASP 24 2HB ASP 24 -3.371 5.198 -11.064 181 H LYS 25 H LYS 25 0.451 4.185 -12.602 182 HA LYS 25 HA LYS 25 0.993 6.598 -13.701 183 HB2 LYS 25 1HB LYS 25 0.614 4.352 -15.625 184 HB3 LYS 25 2HB LYS 25 1.950 5.487 -15.477 185 HG2 LYS 25 1HG LYS 25 1.387 3.074 -13.775 186 HG3 LYS 25 2HG LYS 25 2.762 3.353 -14.846 187 HD2 LYS 25 1HD LYS 25 2.192 5.140 -12.499 188 HD3 LYS 25 2HD LYS 25 3.135 3.657 -12.332 189 HE2 LYS 25 1HE LYS 25 4.846 4.452 -13.706 190 HE3 LYS 25 2HE LYS 25 3.825 5.704 -14.411 191 HZ1 LYS 25 1HZ LYS 25 5.265 6.791 -12.930 192 HZ2 LYS 25 2HZ LYS 25 5.028 5.648 -11.706 193 HZ3 LYS 25 3HZ LYS 25 3.781 6.714 -12.120 194 H ARG 26 H ARG 26 -1.601 4.430 -14.830 195 HA ARG 26 HA ARG 26 -2.633 6.192 -16.765 196 HB2 ARG 26 1HB ARG 26 -4.510 4.341 -15.404 197 HB3 ARG 26 2HB ARG 26 -4.241 4.611 -17.120 198 HG2 ARG 26 1HG ARG 26 -1.919 3.455 -16.534 199 HG3 ARG 26 2HG ARG 26 -2.907 2.741 -15.257 200 HD2 ARG 26 1HD ARG 26 -3.604 2.706 -18.191 201 HD3 ARG 26 2HD ARG 26 -2.819 1.380 -17.333 202 HE ARG 26 HE ARG 26 -5.112 1.931 -15.916 203 HH11 ARG 26 2HH1 ARG 26 -4.320 0.968 -19.166 204 HH12 ARG 26 1HH1 ARG 26 -5.798 0.097 -19.407 205 HH21 ARG 26 2HH2 ARG 26 -7.062 0.787 -16.221 206 HH22 ARG 26 1HH2 ARG 26 -7.357 -0.004 -17.732 207 H ASN 27 H ASN 27 -3.081 5.973 -13.324 208 HA ASN 27 HA ASN 27 -4.869 8.304 -13.455 209 HB2 ASN 27 1HB ASN 27 -5.248 5.738 -11.971 210 HB3 ASN 27 2HB ASN 27 -5.820 7.230 -11.230 211 HD21 ASN 27 1HD2 ASN 27 -7.436 5.060 -12.054 212 HD22 ASN 27 2HD2 ASN 27 -8.487 5.630 -13.301 213 HA PRO 28 HA PRO 28 -1.279 9.449 -10.875 214 HB2 PRO 28 1HB PRO 28 -1.428 12.091 -11.484 215 HB3 PRO 28 2HB PRO 28 -0.617 10.910 -12.520 216 HG2 PRO 28 1HG PRO 28 -3.362 12.079 -12.769 217 HG3 PRO 28 2HG PRO 28 -2.151 11.790 -14.031 218 HD2 PRO 28 1HD PRO 28 -4.249 10.129 -13.617 219 HD3 PRO 28 2HD PRO 28 -2.673 9.551 -14.195 220 H MET 29 H MET 29 -4.597 10.081 -10.780 221 HA MET 29 HA MET 29 -4.366 11.647 -8.304 222 HB2 MET 29 1HB MET 29 -6.678 11.237 -10.201 223 HB3 MET 29 2HB MET 29 -6.834 12.047 -8.648 224 HG2 MET 29 1HG MET 29 -5.159 12.923 -10.987 225 HG3 MET 29 2HG MET 29 -6.628 13.685 -10.383 226 HE1 MET 29 1HE MET 29 -3.450 15.393 -10.572 227 HE2 MET 29 2HE MET 29 -2.437 14.555 -9.396 228 HE3 MET 29 3HE MET 29 -3.184 13.655 -10.717 229 H PHE 30 H PHE 30 -4.191 8.603 -8.902 230 HA PHE 30 HA PHE 30 -5.879 7.831 -6.631 231 HB2 PHE 30 1HB PHE 30 -5.800 6.546 -9.348 232 HB3 PHE 30 2HB PHE 30 -6.229 5.609 -7.921 233 HD1 PHE 30 2HD PHE 30 -7.125 8.792 -9.639 234 HD2 PHE 30 1HD PHE 30 -8.440 5.486 -7.303 235 HE1 PHE 30 2HE PHE 30 -9.445 9.593 -9.818 236 HE2 PHE 30 1HE PHE 30 -10.762 6.281 -7.479 237 HZ PHE 30 HZ PHE 30 -11.267 8.337 -8.736 238 H ILE 31 H ILE 31 -4.786 6.743 -5.133 239 HA ILE 31 HA ILE 31 -2.283 5.404 -5.927 240 HB ILE 31 HB ILE 31 -2.840 6.981 -3.416 241 HG12 ILE 31 1HG1 ILE 31 -0.515 7.357 -5.273 242 HG13 ILE 31 2HG1 ILE 31 -2.082 8.046 -5.683 243 HG21 ILE 31 1HG2 ILE 31 -0.141 6.105 -3.558 244 HG22 ILE 31 2HG2 ILE 31 -1.351 5.753 -2.325 245 HG23 ILE 31 3HG2 ILE 31 -1.191 4.699 -3.729 246 HD11 ILE 31 1HD1 ILE 31 -1.109 9.800 -4.598 247 HD12 ILE 31 2HD1 ILE 31 -1.934 9.012 -3.252 248 HD13 ILE 31 3HD1 ILE 31 -0.205 8.761 -3.495 249 H ARG 32 H ARG 32 -2.004 3.352 -5.267 250 HA ARG 32 HA ARG 32 -3.890 2.270 -3.282 251 HB2 ARG 32 1HB ARG 32 -2.997 0.990 -5.870 252 HB3 ARG 32 2HB ARG 32 -3.878 0.145 -4.603 253 HG2 ARG 32 1HG ARG 32 -5.696 1.858 -4.869 254 HG3 ARG 32 2HG ARG 32 -4.837 2.431 -6.300 255 HD2 ARG 32 1HD ARG 32 -5.078 0.299 -7.371 256 HD3 ARG 32 2HD ARG 32 -5.741 -0.416 -5.903 257 HE ARG 32 HE ARG 32 -7.442 1.637 -6.500 258 HH11 ARG 32 2HH1 ARG 32 -6.266 -1.168 -8.194 259 HH12 ARG 32 1HH1 ARG 32 -7.703 -1.359 -9.142 260 HH21 ARG 32 2HH2 ARG 32 -9.339 1.395 -7.742 261 HH22 ARG 32 1HH2 ARG 32 -9.450 0.100 -8.885 262 H VAL 33 H VAL 33 -3.007 -0.203 -2.904 263 HA VAL 33 HA VAL 33 -0.411 0.221 -1.671 264 HB VAL 33 HB VAL 33 -2.452 -1.981 -1.467 265 HG11 VAL 33 1HG1 VAL 33 -0.702 -2.701 0.414 266 HG12 VAL 33 2HG1 VAL 33 -0.651 -3.344 -1.229 267 HG13 VAL 33 3HG1 VAL 33 0.424 -2.025 -0.762 268 HG21 VAL 33 1HG2 VAL 33 -3.163 -0.795 0.269 269 HG22 VAL 33 2HG2 VAL 33 -1.579 -0.950 1.028 270 HG23 VAL 33 3HG2 VAL 33 -1.918 0.416 -0.035 271 H ALA 34 H ALA 34 1.447 -0.895 -2.135 272 HA ALA 34 HA ALA 34 1.371 -2.757 -4.412 273 HB1 ALA 34 1HB ALA 34 2.155 -0.339 -4.928 274 HB2 ALA 34 2HB ALA 34 3.640 -0.833 -4.114 275 HB3 ALA 34 3HB ALA 34 3.089 -1.702 -5.546 276 H THR 35 H THR 35 3.324 -4.117 -4.570 277 HA THR 35 HA THR 35 4.685 -4.495 -1.991 278 HB THR 35 HB THR 35 3.371 -6.652 -3.648 279 HG1 THR 35 1HG THR 35 1.864 -6.174 -2.226 280 HG21 THR 35 1HG2 THR 35 5.091 -7.950 -3.011 281 HG22 THR 35 2HG2 THR 35 4.360 -7.884 -1.407 282 HG23 THR 35 3HG2 THR 35 5.661 -6.772 -1.830 283 H VAL 36 H VAL 36 6.786 -4.240 -2.331 284 HA VAL 36 HA VAL 36 8.042 -4.261 -4.833 285 HB VAL 36 HB VAL 36 9.363 -4.727 -2.157 286 HG11 VAL 36 1HG1 VAL 36 11.249 -4.842 -3.320 287 HG12 VAL 36 2HG1 VAL 36 10.375 -4.571 -4.829 288 HG13 VAL 36 3HG1 VAL 36 10.967 -3.198 -3.892 289 HG21 VAL 36 1HG2 VAL 36 9.629 -2.339 -1.998 290 HG22 VAL 36 2HG2 VAL 36 8.856 -2.108 -3.566 291 HG23 VAL 36 3HG2 VAL 36 7.917 -2.710 -2.200 292 H ALA 37 H ALA 37 7.927 -6.043 -6.082 293 HA ALA 37 HA ALA 37 8.192 -8.697 -5.019 294 HB1 ALA 37 1HB ALA 37 7.494 -9.423 -7.045 295 HB2 ALA 37 2HB ALA 37 6.959 -7.749 -7.195 296 HB3 ALA 37 3HB ALA 37 8.480 -8.257 -7.927 297 H ASP 38 H ASP 38 10.159 -6.735 -7.257 298 HA ASP 38 HA ASP 38 12.551 -8.077 -6.230 299 HB2 ASP 38 1HB ASP 38 11.568 -9.007 -8.510 300 HB3 ASP 38 2HB ASP 38 12.395 -7.601 -9.173 301 H THR 39 H THR 39 14.232 -6.739 -5.925 302 HA THR 39 HA THR 39 13.901 -3.949 -6.779 303 HB THR 39 HB THR 39 15.620 -3.432 -5.050 304 HG1 THR 39 1HG THR 39 16.591 -5.008 -4.007 305 HG21 THR 39 1HG2 THR 39 12.950 -4.548 -4.525 306 HG22 THR 39 2HG2 THR 39 13.650 -3.004 -4.039 307 HG23 THR 39 3HG2 THR 39 14.010 -4.464 -3.119 308 H ASP 40 H ASP 40 14.910 -3.525 -8.635 309 HA ASP 40 HA ASP 40 17.302 -4.957 -9.410 310 HB2 ASP 40 1HB ASP 40 15.429 -3.049 -10.724 311 HB3 ASP 40 2HB ASP 40 17.068 -3.153 -11.359 312 H ASP 41 H ASP 41 18.933 -3.306 -10.634 313 HA ASP 41 HA ASP 41 20.623 -2.250 -8.831 314 HB2 ASP 41 1HB ASP 41 20.000 -1.402 -11.639 315 HB3 ASP 41 2HB ASP 41 21.185 -0.502 -10.696 316 H HIS 42 H HIS 42 18.627 0.032 -10.691 317 HA HIS 42 HA HIS 42 18.274 1.595 -8.217 318 HB2 HIS 42 1HB HIS 42 18.299 2.880 -10.927 319 HB3 HIS 42 2HB HIS 42 18.634 3.599 -9.355 320 HD1 HIS 42 1HD HIS 42 21.033 3.789 -8.700 321 HD2 HIS 42 2HD HIS 42 20.466 1.162 -11.868 322 HE1 HIS 42 1HE HIS 42 23.342 3.165 -9.477 323 HE2 HIS 42 2HE HIS 42 22.973 1.642 -11.449 324 H ARG 43 H ARG 43 16.501 -0.433 -9.217 325 HA ARG 43 HA ARG 43 14.087 1.179 -9.407 326 HB2 ARG 43 1HB ARG 43 14.538 -1.060 -11.378 327 HB3 ARG 43 2HB ARG 43 13.218 0.101 -11.348 328 HG2 ARG 43 1HG ARG 43 15.067 1.867 -11.697 329 HG3 ARG 43 2HG ARG 43 16.055 0.494 -12.199 330 HD2 ARG 43 1HD ARG 43 14.019 -0.068 -13.719 331 HD3 ARG 43 2HD ARG 43 13.591 1.623 -13.463 332 HE ARG 43 HE ARG 43 15.370 2.253 -14.783 333 HH11 ARG 43 2HH1 ARG 43 15.566 -1.149 -14.069 334 HH12 ARG 43 1HH1 ARG 43 16.826 -1.451 -15.218 335 HH21 ARG 43 2HH2 ARG 43 17.029 1.868 -16.300 336 HH22 ARG 43 1HH2 ARG 43 17.659 0.266 -16.486 337 H VAL 44 H VAL 44 12.117 -0.124 -9.077 338 HA VAL 44 HA VAL 44 12.559 -2.733 -7.832 339 HB VAL 44 HB VAL 44 11.132 -2.100 -5.891 340 HG11 VAL 44 1HG1 VAL 44 12.893 -1.235 -4.619 341 HG12 VAL 44 2HG1 VAL 44 13.695 -2.073 -5.949 342 HG13 VAL 44 3HG1 VAL 44 13.543 -0.316 -5.976 343 HG21 VAL 44 1HG2 VAL 44 11.480 0.649 -5.732 344 HG22 VAL 44 2HG2 VAL 44 10.953 0.371 -7.392 345 HG23 VAL 44 3HG2 VAL 44 9.969 -0.204 -6.046 346 H LYS 45 H LYS 45 11.175 -4.090 -8.738 347 HA LYS 45 HA LYS 45 8.951 -3.268 -10.279 348 HB2 LYS 45 1HB LYS 45 10.339 -5.439 -10.437 349 HB3 LYS 45 2HB LYS 45 9.287 -6.041 -9.163 350 HG2 LYS 45 1HG LYS 45 7.346 -5.730 -10.570 351 HG3 LYS 45 2HG LYS 45 8.348 -5.017 -11.836 352 HD2 LYS 45 1HD LYS 45 9.655 -7.307 -11.581 353 HD3 LYS 45 2HD LYS 45 8.088 -7.855 -10.981 354 HE2 LYS 45 1HE LYS 45 7.052 -6.948 -13.056 355 HE3 LYS 45 2HE LYS 45 8.671 -6.590 -13.655 356 HZ1 LYS 45 1HZ LYS 45 8.047 -9.318 -12.763 357 HZ2 LYS 45 2HZ LYS 45 9.159 -8.797 -13.926 358 HZ3 LYS 45 3HZ LYS 45 7.506 -8.808 -14.283 359 H VAL 46 H VAL 46 7.229 -2.323 -9.389 360 HA VAL 46 HA VAL 46 6.296 -3.120 -6.752 361 HB VAL 46 HB VAL 46 4.586 -1.293 -7.134 362 HG11 VAL 46 1HG1 VAL 46 6.012 0.277 -6.294 363 HG12 VAL 46 2HG1 VAL 46 7.019 -1.159 -6.096 364 HG13 VAL 46 3HG1 VAL 46 7.277 -0.082 -7.468 365 HG21 VAL 46 1HG2 VAL 46 6.193 -0.049 -9.226 366 HG22 VAL 46 2HG2 VAL 46 5.364 -1.512 -9.759 367 HG23 VAL 46 3HG2 VAL 46 4.441 -0.177 -9.069 368 H HIS 47 H HIS 47 4.981 -4.806 -6.585 369 HA HIS 47 HA HIS 47 3.151 -5.426 -8.793 370 HB2 HIS 47 1HB HIS 47 4.464 -7.318 -8.220 371 HB3 HIS 47 2HB HIS 47 4.212 -7.066 -6.496 372 HD1 HIS 47 1HD HIS 47 3.020 -9.037 -9.254 373 HD2 HIS 47 2HD HIS 47 1.353 -7.504 -5.771 374 HE1 HIS 47 1HE HIS 47 0.926 -10.374 -8.866 375 HE2 HIS 47 2HE HIS 47 -0.110 -9.372 -6.800 376 H PHE 48 H PHE 48 1.121 -4.773 -8.623 377 HA PHE 48 HA PHE 48 0.050 -3.915 -6.080 378 HB2 PHE 48 1HB PHE 48 -1.117 -3.937 -8.869 379 HB3 PHE 48 2HB PHE 48 -1.961 -3.307 -7.457 380 HD1 PHE 48 1HD PHE 48 1.370 -2.953 -9.106 381 HD2 PHE 48 2HD PHE 48 -1.886 -1.043 -7.141 382 HE1 PHE 48 1HE PHE 48 2.455 -0.770 -9.440 383 HE2 PHE 48 2HE PHE 48 -0.807 1.144 -7.472 384 HZ PHE 48 HZ PHE 48 1.365 1.283 -8.623 385 H ASP 49 H ASP 49 -0.762 -5.355 -4.715 386 HA ASP 49 HA ASP 49 -1.524 -7.973 -5.381 387 HB2 ASP 49 1HB ASP 49 -0.945 -6.819 -3.067 388 HB3 ASP 49 2HB ASP 49 -2.696 -6.651 -2.975 389 H GLY 50 H GLY 50 -3.406 -8.880 -5.999 390 HA2 GLY 50 1HA GLY 50 -5.779 -9.010 -6.121 391 HA3 GLY 50 2HA GLY 50 -5.858 -7.271 -5.882 392 H TRP 51 H TRP 51 -3.999 -6.470 -7.830 393 HA TRP 51 HA TRP 51 -5.578 -6.209 -10.079 394 HB2 TRP 51 1HB TRP 51 -2.582 -6.047 -9.753 395 HB3 TRP 51 2HB TRP 51 -3.393 -5.660 -11.268 396 HD1 TRP 51 HD TRP 51 -4.068 -4.594 -7.584 397 HE1 TRP 51 1HE TRP 51 -4.374 -2.038 -7.553 398 HE3 TRP 51 3HE TRP 51 -3.354 -3.632 -12.554 399 HZ2 TRP 51 2HZ TRP 51 -4.320 0.102 -9.393 400 HZ3 TRP 51 3HZ TRP 51 -3.498 -1.304 -13.337 401 HH2 TRP 51 HH TRP 51 -3.972 0.523 -11.788 402 H ASN 52 H ASN 52 -4.846 -6.951 -12.350 403 HA ASN 52 HA ASN 52 -4.207 -9.826 -12.271 404 HB2 ASN 52 1HB ASN 52 -6.482 -8.402 -13.542 405 HB3 ASN 52 2HB ASN 52 -5.747 -9.704 -14.473 406 HD21 ASN 52 1HD2 ASN 52 -6.743 -9.075 -11.122 407 HD22 ASN 52 2HD2 ASN 52 -7.513 -10.603 -10.887 408 H ASN 53 H ASN 53 -3.971 -10.456 -14.841 409 HA ASN 53 HA ASN 53 -2.266 -10.520 -16.386 410 HB2 ASN 53 1HB ASN 53 -4.124 -8.888 -17.193 411 HB3 ASN 53 2HB ASN 53 -2.933 -7.631 -16.876 412 HD21 ASN 53 1HD2 ASN 53 -2.482 -7.005 -18.905 413 HD22 ASN 53 2HD2 ASN 53 -1.804 -8.032 -20.118 414 H CYS 54 H CYS 54 -1.182 -10.039 -13.877 415 HA CYS 54 HA CYS 54 0.511 -8.952 -12.733 416 HB2 CYS 54 1HB CYS 54 1.523 -10.034 -15.311 417 HB3 CYS 54 2HB CYS 54 2.622 -9.025 -14.379 418 HG CYS 54 HG CYS 54 1.256 -12.018 -13.479 419 H TYR 55 H TYR 55 -1.186 -7.022 -13.850 420 HA TYR 55 HA TYR 55 -0.306 -5.085 -15.483 421 HB2 TYR 55 1HB TYR 55 -1.826 -5.014 -12.935 422 HB3 TYR 55 2HB TYR 55 -1.214 -3.475 -13.531 423 HD1 TYR 55 1HD TYR 55 -1.737 -2.951 -16.043 424 HD2 TYR 55 2HD TYR 55 -3.871 -5.789 -13.699 425 HE1 TYR 55 1HE TYR 55 -3.641 -2.789 -17.592 426 HE2 TYR 55 2HE TYR 55 -5.781 -5.636 -15.242 427 HH TYR 55 HH TYR 55 -6.198 -4.997 -17.597 428 H ASP 56 H ASP 56 1.117 -5.941 -12.437 429 HA ASP 56 HA ASP 56 2.523 -3.807 -11.593 430 HB2 ASP 56 1HB ASP 56 4.066 -6.344 -11.974 431 HB3 ASP 56 2HB ASP 56 4.022 -5.261 -10.585 432 H TYR 57 H TYR 57 4.734 -3.060 -11.955 433 HA TYR 57 HA TYR 57 5.948 -3.601 -14.521 434 HB2 TYR 57 1HB TYR 57 5.947 -1.061 -15.023 435 HB3 TYR 57 2HB TYR 57 4.496 -1.988 -15.386 436 HD1 TYR 57 2HD TYR 57 5.966 -0.080 -12.523 437 HD2 TYR 57 1HD TYR 57 2.482 -1.064 -14.758 438 HE1 TYR 57 2HE TYR 57 4.645 1.455 -11.127 439 HE2 TYR 57 1HE TYR 57 1.151 0.469 -13.369 440 HH TYR 57 HH TYR 57 1.580 1.409 -10.737 441 H TRP 58 H TRP 58 8.003 -2.407 -14.792 442 HA TRP 58 HA TRP 58 9.419 -2.330 -12.277 443 HB2 TRP 58 1HB TRP 58 10.172 -2.306 -15.161 444 HB3 TRP 58 2HB TRP 58 11.324 -1.641 -14.006 445 HD1 TRP 58 HD TRP 58 10.327 -4.835 -15.539 446 HE1 TRP 58 1HE TRP 58 11.407 -6.817 -14.302 447 HE3 TRP 58 3HE TRP 58 11.941 -2.394 -11.347 448 HZ2 TRP 58 2HZ TRP 58 12.764 -7.284 -11.871 449 HZ3 TRP 58 3HZ TRP 58 13.121 -3.681 -9.613 450 HH2 TRP 58 HH TRP 58 13.522 -6.076 -9.872 451 H ILE 59 H ILE 59 9.148 -0.548 -11.079 452 HA ILE 59 HA ILE 59 9.313 2.070 -12.419 453 HB ILE 59 HB ILE 59 7.219 1.500 -11.091 454 HG12 ILE 59 1HG1 ILE 59 8.734 3.926 -10.115 455 HG13 ILE 59 2HG1 ILE 59 8.016 3.814 -11.718 456 HG21 ILE 59 1HG2 ILE 59 7.446 1.899 -8.622 457 HG22 ILE 59 2HG2 ILE 59 8.141 0.387 -9.204 458 HG23 ILE 59 3HG2 ILE 59 9.191 1.754 -8.831 459 HD11 ILE 59 1HD1 ILE 59 6.783 4.870 -9.573 460 HD12 ILE 59 2HD1 ILE 59 5.939 4.157 -10.948 461 HD13 ILE 59 3HD1 ILE 59 6.207 3.206 -9.488 462 H ASP 60 H ASP 60 10.686 3.648 -11.633 463 HA ASP 60 HA ASP 60 13.064 2.729 -10.369 464 HB2 ASP 60 1HB ASP 60 12.102 5.497 -11.104 465 HB3 ASP 60 2HB ASP 60 13.691 5.175 -10.414 466 H ALA 61 H ALA 61 13.555 2.626 -8.280 467 HA ALA 61 HA ALA 61 11.705 3.103 -6.244 468 HB1 ALA 61 1HB ALA 61 13.193 1.976 -5.043 469 HB2 ALA 61 2HB ALA 61 14.263 1.983 -6.445 470 HB3 ALA 61 3HB ALA 61 14.390 3.258 -5.233 471 H ASP 62 H ASP 62 13.875 5.247 -7.843 472 HA ASP 62 HA ASP 62 13.699 7.262 -5.744 473 HB2 ASP 62 1HB ASP 62 15.128 7.286 -8.411 474 HB3 ASP 62 2HB ASP 62 15.196 8.583 -7.221 475 H SER 63 H SER 63 11.785 6.249 -8.211 476 HA SER 63 HA SER 63 11.014 8.522 -9.601 477 HB2 SER 63 1HB SER 63 10.192 6.370 -10.286 478 HB3 SER 63 2HB SER 63 9.386 6.124 -8.737 479 HG SER 63 HG SER 63 8.298 7.104 -10.850 480 HA PRO 64 HA PRO 64 9.164 11.095 -6.531 481 HB2 PRO 64 1HB PRO 64 7.788 12.740 -8.196 482 HB3 PRO 64 2HB PRO 64 9.541 12.830 -7.989 483 HG2 PRO 64 1HG PRO 64 7.955 11.520 -10.164 484 HG3 PRO 64 2HG PRO 64 9.420 12.511 -10.290 485 HD2 PRO 64 1HD PRO 64 9.476 9.807 -10.409 486 HD3 PRO 64 2HD PRO 64 10.805 10.760 -9.719 487 H ASP 65 H ASP 65 7.374 9.204 -8.802 488 HA ASP 65 HA ASP 65 4.778 9.854 -7.737 489 HB2 ASP 65 1HB ASP 65 5.275 7.390 -9.358 490 HB3 ASP 65 2HB ASP 65 3.904 8.495 -9.393 491 H ILE 66 H ILE 66 7.266 7.521 -7.113 492 HA ILE 66 HA ILE 66 5.650 5.626 -5.731 493 HB ILE 66 HB ILE 66 8.623 6.125 -5.718 494 HG12 ILE 66 1HG1 ILE 66 6.947 3.886 -6.874 495 HG13 ILE 66 2HG1 ILE 66 7.632 5.220 -7.796 496 HG21 ILE 66 1HG2 ILE 66 7.068 4.684 -3.806 497 HG22 ILE 66 2HG2 ILE 66 8.055 3.549 -4.726 498 HG23 ILE 66 3HG2 ILE 66 8.817 4.897 -3.882 499 HD11 ILE 66 1HD1 ILE 66 8.945 2.829 -6.649 500 HD12 ILE 66 2HD1 ILE 66 9.207 3.641 -8.193 501 HD13 ILE 66 3HD1 ILE 66 9.872 4.328 -6.712 502 H HIS 67 H HIS 67 4.853 5.709 -3.738 503 HA HIS 67 HA HIS 67 6.083 7.546 -1.796 504 HB2 HIS 67 1HB HIS 67 3.112 7.098 -2.146 505 HB3 HIS 67 2HB HIS 67 3.875 8.168 -0.973 506 HD1 HIS 67 1HD HIS 67 5.372 10.159 -2.169 507 HD2 HIS 67 2HD HIS 67 2.398 8.347 -4.436 508 HE1 HIS 67 1HE HIS 67 4.909 11.747 -4.063 509 HE2 HIS 67 2HE HIS 67 3.047 10.669 -5.373 510 HA PRO 68 HA PRO 68 6.177 4.076 0.903 511 HB2 PRO 68 1HB PRO 68 6.235 5.366 3.291 512 HB3 PRO 68 2HB PRO 68 7.623 5.306 2.197 513 HG2 PRO 68 1HG PRO 68 5.616 7.492 2.593 514 HG3 PRO 68 2HG PRO 68 7.376 7.608 2.414 515 HD2 PRO 68 1HD PRO 68 5.667 8.108 0.373 516 HD3 PRO 68 2HD PRO 68 7.281 7.413 0.119 517 H VAL 69 H VAL 69 4.943 2.944 2.495 518 HA VAL 69 HA VAL 69 2.210 2.967 2.173 519 HB VAL 69 HB VAL 69 3.867 1.976 4.486 520 HG11 VAL 69 1HG1 VAL 69 0.933 1.467 4.010 521 HG12 VAL 69 2HG1 VAL 69 1.923 0.792 5.304 522 HG13 VAL 69 3HG1 VAL 69 1.588 2.523 5.261 523 HG21 VAL 69 1HG2 VAL 69 2.476 -0.035 3.009 524 HG22 VAL 69 2HG2 VAL 69 3.353 1.005 1.888 525 HG23 VAL 69 3HG2 VAL 69 4.214 0.199 3.199 526 H GLY 70 H GLY 70 4.168 4.873 4.351 527 HA2 GLY 70 1HA GLY 70 1.780 5.904 5.702 528 HA3 GLY 70 2HA GLY 70 3.445 6.182 6.192 529 H TRP 71 H TRP 71 2.021 6.614 2.982 530 HA TRP 71 HA TRP 71 3.026 9.347 2.954 531 HB2 TRP 71 1HB TRP 71 3.547 8.062 0.999 532 HB3 TRP 71 2HB TRP 71 1.867 7.572 0.803 533 HD1 TRP 71 HD TRP 71 4.225 10.505 0.171 534 HE1 TRP 71 1HE TRP 71 3.058 12.184 -1.392 535 HE3 TRP 71 3HE TRP 71 -0.450 8.438 0.104 536 HZ2 TRP 71 2HZ TRP 71 0.495 12.581 -2.505 537 HZ3 TRP 71 3HZ TRP 71 -2.203 9.529 -1.235 538 HH2 TRP 71 HH TRP 71 -1.738 11.557 -2.511 539 H CYS 72 H CYS 72 -0.043 7.661 2.299 540 HA CYS 72 HA CYS 72 -1.765 9.621 1.723 541 HB2 CYS 72 1HB CYS 72 -3.517 8.410 2.907 542 HB3 CYS 72 2HB CYS 72 -2.430 7.277 2.113 543 HG CYS 72 HG CYS 72 -2.657 7.951 5.452 544 H SER 73 H SER 73 -0.404 9.050 4.927 545 HA SER 73 HA SER 73 -1.949 11.010 6.272 546 HB2 SER 73 1HB SER 73 0.725 9.780 6.977 547 HB3 SER 73 2HB SER 73 -0.224 10.797 8.062 548 HG SER 73 HG SER 73 -1.554 9.191 8.412 549 H LYS 74 H LYS 74 1.543 11.087 5.546 550 HA LYS 74 HA LYS 74 2.239 13.592 6.104 551 HB2 LYS 74 1HB LYS 74 2.903 12.422 3.402 552 HB3 LYS 74 2HB LYS 74 3.871 13.543 4.351 553 HG2 LYS 74 1HG LYS 74 4.140 11.773 6.069 554 HG3 LYS 74 2HG LYS 74 3.294 10.659 4.992 555 HD2 LYS 74 1HD LYS 74 5.134 11.530 3.283 556 HD3 LYS 74 2HD LYS 74 6.023 11.812 4.781 557 HE2 LYS 74 1HE LYS 74 5.172 9.349 5.294 558 HE3 LYS 74 2HE LYS 74 5.147 9.263 3.533 559 HZ1 LYS 74 1HZ LYS 74 7.440 9.655 5.335 560 HZ2 LYS 74 2HZ LYS 74 7.516 10.232 3.747 561 HZ3 LYS 74 3HZ LYS 74 7.271 8.583 4.037 562 H THR 75 H THR 75 1.175 12.935 2.768 563 HA THR 75 HA THR 75 0.581 15.660 2.248 564 HB THR 75 HB THR 75 0.015 15.023 0.101 565 HG1 THR 75 1HG THR 75 -0.600 12.356 0.773 566 HG21 THR 75 1HG2 THR 75 2.292 14.164 0.792 567 HG22 THR 75 2HG2 THR 75 1.579 13.385 -0.620 568 HG23 THR 75 3HG2 THR 75 1.551 12.571 0.944 569 H GLY 76 H GLY 76 -1.417 12.848 3.056 570 HA2 GLY 76 1HA GLY 76 -3.410 12.992 4.326 571 HA3 GLY 76 2HA GLY 76 -3.548 14.684 3.872 572 H HIS 77 H HIS 77 -2.912 12.118 1.573 573 HA HIS 77 HA HIS 77 -5.437 12.765 0.243 574 HB2 HIS 77 1HB HIS 77 -2.819 11.656 -0.639 575 HB3 HIS 77 2HB HIS 77 -4.254 11.157 -1.529 576 HD1 HIS 77 1HD HIS 77 -3.559 14.613 -0.138 577 HD2 HIS 77 2HD HIS 77 -3.979 12.667 -3.784 578 HE1 HIS 77 1HE HIS 77 -3.536 16.430 -1.876 579 HE2 HIS 77 2HE HIS 77 -3.877 15.236 -4.067 580 HA PRO 78 HA PRO 78 -7.372 9.006 1.457 581 HB2 PRO 78 1HB PRO 78 -9.133 8.726 -0.590 582 HB3 PRO 78 2HB PRO 78 -9.327 9.934 0.686 583 HG2 PRO 78 1HG PRO 78 -8.234 10.261 -2.082 584 HG3 PRO 78 2HG PRO 78 -9.344 11.314 -1.186 585 HD2 PRO 78 1HD PRO 78 -6.699 11.847 -1.420 586 HD3 PRO 78 2HD PRO 78 -7.640 12.296 0.017 587 H LEU 79 H LEU 79 -6.540 7.026 1.330 588 HA LEU 79 HA LEU 79 -5.280 6.128 -1.136 589 HB2 LEU 79 1HB LEU 79 -4.164 5.899 1.081 590 HB3 LEU 79 2HB LEU 79 -5.417 4.746 1.538 591 HG LEU 79 HG LEU 79 -4.664 3.262 -0.293 592 HD11 LEU 79 1HD1 LEU 79 -3.213 3.898 -1.851 593 HD12 LEU 79 2HD1 LEU 79 -2.072 4.489 -0.645 594 HD13 LEU 79 3HD1 LEU 79 -3.370 5.537 -1.218 595 HD21 LEU 79 1HD2 LEU 79 -2.247 3.859 1.344 596 HD22 LEU 79 2HD2 LEU 79 -2.990 2.308 0.952 597 HD23 LEU 79 3HD2 LEU 79 -3.732 3.363 2.156 598 H GLN 80 H GLN 80 -5.847 4.264 -2.250 599 HA GLN 80 HA GLN 80 -8.516 3.193 -1.612 600 HB2 GLN 80 1HB GLN 80 -7.229 3.357 -4.340 601 HB3 GLN 80 2HB GLN 80 -8.872 2.842 -3.980 602 HG2 GLN 80 1HG GLN 80 -7.710 5.601 -3.749 603 HG3 GLN 80 2HG GLN 80 -8.996 5.048 -4.820 604 HE21 GLN 80 1HE2 GLN 80 -10.725 3.776 -3.317 605 HE22 GLN 80 2HE2 GLN 80 -11.344 4.771 -2.047 606 HA PRO 81 HA PRO 81 -6.520 -0.711 -1.076 607 HB2 PRO 81 1HB PRO 81 -8.748 -2.263 -1.127 608 HB3 PRO 81 2HB PRO 81 -8.308 -1.258 0.259 609 HG2 PRO 81 1HG PRO 81 -10.277 -0.711 -1.927 610 HG3 PRO 81 2HG PRO 81 -10.434 -0.429 -0.184 611 HD2 PRO 81 1HD PRO 81 -9.830 1.550 -1.931 612 HD3 PRO 81 2HD PRO 81 -9.220 1.529 -0.264 613 HA PRO 82 HA PRO 82 -6.066 -2.684 -4.979 614 HB2 PRO 82 1HB PRO 82 -5.931 -5.315 -4.322 615 HB3 PRO 82 2HB PRO 82 -4.631 -4.169 -3.971 616 HG2 PRO 82 1HG PRO 82 -6.776 -5.214 -2.162 617 HG3 PRO 82 2HG PRO 82 -5.050 -4.976 -1.831 618 HD2 PRO 82 1HD PRO 82 -6.946 -3.224 -1.013 619 HD3 PRO 82 2HD PRO 82 -5.305 -2.716 -1.459 620 H LEU 83 H LEU 83 -7.025 -4.185 -6.532 621 HA LEU 83 HA LEU 83 -9.766 -3.953 -6.776 622 HB2 LEU 83 1HB LEU 83 -7.808 -5.888 -7.970 623 HB3 LEU 83 2HB LEU 83 -9.523 -5.942 -8.376 624 HG LEU 83 HG LEU 83 -8.020 -3.383 -8.713 625 HD11 LEU 83 1HD1 LEU 83 -6.549 -4.425 -10.048 626 HD12 LEU 83 2HD1 LEU 83 -7.888 -4.473 -11.194 627 HD13 LEU 83 3HD1 LEU 83 -7.542 -5.876 -10.184 628 HD21 LEU 83 1HD2 LEU 83 -9.895 -2.754 -9.722 629 HD22 LEU 83 2HD2 LEU 83 -10.622 -4.278 -9.212 630 HD23 LEU 83 3HD2 LEU 83 -9.850 -4.154 -10.794 631 H SER 84 H SER 84 -11.404 -5.696 -6.836 632 HA SER 84 HA SER 84 -11.736 -6.894 -4.348 633 HB2 SER 84 1HB SER 84 -13.048 -7.253 -7.016 634 HB3 SER 84 2HB SER 84 -13.435 -8.374 -5.711 635 HG SER 84 HG SER 84 -14.827 -6.516 -5.811 636 HA PRO 85 HA PRO 85 -9.318 -10.562 -4.448 637 HB2 PRO 85 1HB PRO 85 -10.760 -12.122 -2.757 638 HB3 PRO 85 2HB PRO 85 -9.778 -10.759 -2.206 639 HG2 PRO 85 1HG PRO 85 -12.729 -10.895 -2.689 640 HG3 PRO 85 2HG PRO 85 -11.849 -10.140 -1.347 641 HD2 PRO 85 1HD PRO 85 -12.832 -8.715 -3.429 642 HD3 PRO 85 2HD PRO 85 -11.347 -8.253 -2.572 643 H LEU 86 H LEU 86 -12.220 -10.284 -5.971 644 HA LEU 86 HA LEU 86 -12.397 -13.123 -6.692 645 HB2 LEU 86 1HB LEU 86 -14.573 -12.595 -7.619 646 HB3 LEU 86 2HB LEU 86 -14.461 -12.062 -5.943 647 HG LEU 86 HG LEU 86 -13.847 -9.758 -7.091 648 HD11 LEU 86 1HD1 LEU 86 -14.042 -9.771 -9.301 649 HD12 LEU 86 2HD1 LEU 86 -15.775 -10.015 -9.086 650 HD13 LEU 86 3HD1 LEU 86 -14.709 -11.404 -9.292 651 HD21 LEU 86 1HD2 LEU 86 -16.393 -9.337 -7.171 652 HD22 LEU 86 2HD2 LEU 86 -15.656 -9.798 -5.636 653 HD23 LEU 86 3HD2 LEU 86 -16.527 -10.998 -6.592 654 H GLU 87 H GLU 87 -11.579 -9.990 -7.926 655 HA GLU 87 HA GLU 87 -11.784 -10.549 -10.689 656 HB2 GLU 87 1HB GLU 87 -9.911 -8.603 -9.334 657 HB3 GLU 87 2HB GLU 87 -10.416 -8.571 -11.017 658 HG2 GLU 87 1HG GLU 87 -12.766 -8.251 -10.207 659 HG3 GLU 87 2HG GLU 87 -12.103 -8.046 -8.587 660 H LEU 88 H LEU 88 -9.742 -11.818 -8.372 661 HA LEU 88 HA LEU 88 -7.853 -12.703 -10.446 662 HB2 LEU 88 1HB LEU 88 -6.009 -12.507 -8.974 663 HB3 LEU 88 2HB LEU 88 -6.873 -10.971 -8.933 664 HG LEU 88 HG LEU 88 -7.479 -12.989 -6.830 665 HD11 LEU 88 1HD1 LEU 88 -5.602 -12.504 -5.531 666 HD12 LEU 88 2HD1 LEU 88 -5.136 -11.139 -6.545 667 HD13 LEU 88 3HD1 LEU 88 -4.945 -12.787 -7.144 668 HD21 LEU 88 1HD2 LEU 88 -8.779 -10.988 -6.832 669 HD22 LEU 88 2HD2 LEU 88 -7.336 -9.983 -6.969 670 HD23 LEU 88 3HD2 LEU 88 -7.643 -10.887 -5.486 671 H MET 89 H MET 89 -10.176 -14.069 -9.622 672 HA MET 89 HA MET 89 -9.155 -16.236 -7.928 673 HB2 MET 89 1HB MET 89 -11.355 -15.159 -7.377 674 HB3 MET 89 2HB MET 89 -11.986 -15.801 -8.887 675 HG2 MET 89 1HG MET 89 -11.858 -18.007 -8.144 676 HG3 MET 89 2HG MET 89 -10.761 -17.594 -6.828 677 HE1 MET 89 1HE MET 89 -14.130 -17.436 -8.358 678 HE2 MET 89 2HE MET 89 -15.274 -17.307 -7.023 679 HE3 MET 89 3HE MET 89 -14.503 -15.857 -7.667 680 H GLU 90 H GLU 90 -8.208 -15.948 -10.611 681 HA GLU 90 HA GLU 90 -9.286 -17.252 -12.669 682 HB2 GLU 90 1HB GLU 90 -6.813 -16.492 -12.228 683 HB3 GLU 90 2HB GLU 90 -6.568 -18.188 -11.832 684 HG2 GLU 90 1HG GLU 90 -5.998 -18.069 -14.070 685 HG3 GLU 90 2HG GLU 90 -7.655 -18.667 -14.105 686 H ALA 91 H ALA 91 -7.666 -18.994 -10.012 687 HA ALA 91 HA ALA 91 -9.370 -21.317 -10.629 688 HB1 ALA 91 1HB ALA 91 -7.098 -22.380 -9.468 689 HB2 ALA 91 2HB ALA 91 -7.515 -22.420 -11.181 690 HB3 ALA 91 3HB ALA 91 -6.476 -21.140 -10.557 691 H SER 92 H SER 92 -10.603 -21.932 -8.986 692 HA SER 92 HA SER 92 -10.473 -20.683 -6.448 693 HB2 SER 92 1HB SER 92 -12.047 -23.021 -7.518 694 HB3 SER 92 2HB SER 92 -12.182 -22.503 -5.838 695 HG SER 92 HG SER 92 -12.735 -20.400 -6.677 696 H GLU 93 H GLU 93 -9.395 -21.208 -4.658 697 HA GLU 93 HA GLU 93 -8.086 -23.847 -4.555 698 HB2 GLU 93 1HB GLU 93 -7.105 -21.202 -3.471 699 HB3 GLU 93 2HB GLU 93 -6.318 -22.750 -3.193 700 HG2 GLU 93 1HG GLU 93 -5.823 -22.989 -5.522 701 HG3 GLU 93 2HG GLU 93 -6.776 -21.560 -5.917 702 H HIS 94 H HIS 94 -8.971 -25.112 -3.073 703 HA HIS 94 HA HIS 94 -9.707 -23.953 -0.478 704 HB2 HIS 94 1HB HIS 94 -11.685 -24.420 -2.125 705 HB3 HIS 94 2HB HIS 94 -11.416 -26.103 -1.683 706 HD1 HIS 94 1HD HIS 94 -13.767 -23.823 -0.907 707 HD2 HIS 94 2HD HIS 94 -11.046 -25.813 1.522 708 HE1 HIS 94 1HE HIS 94 -14.757 -23.761 1.403 709 HE2 HIS 94 2HE HIS 94 -13.054 -24.896 2.871 710 H GLY 95 H GLY 95 -8.637 -24.956 1.086 711 HA2 GLY 95 1HA GLY 95 -8.107 -27.843 0.793 712 HA3 GLY 95 2HA GLY 95 -6.828 -26.743 1.285 713 H GLY 96 H GLY 96 -7.851 -29.022 2.740 714 HA2 GLY 96 1HA GLY 96 -9.465 -27.967 4.897 715 HA3 GLY 96 2HA GLY 96 -8.808 -29.593 4.780 716 H CYS 97 H CYS 97 -8.535 -28.946 7.167 717 HA CYS 97 HA CYS 97 -5.769 -28.577 7.642 718 HB2 CYS 97 1HB CYS 97 -6.614 -26.197 7.187 719 HB3 CYS 97 2HB CYS 97 -7.457 -26.329 8.726 720 HG CYS 97 HG CYS 97 -4.573 -27.224 9.589 721 H SER 98 H SER 98 -5.182 -29.064 9.770 722 HA SER 98 HA SER 98 -7.188 -30.534 11.237 723 HB2 SER 98 1HB SER 98 -4.800 -31.312 10.906 724 HB3 SER 98 2HB SER 98 -4.314 -30.054 12.042 725 HG SER 98 HG SER 98 -5.472 -32.481 12.516 726 H THR 99 H THR 99 -8.547 -29.447 12.498 727 HA THR 99 HA THR 99 -7.435 -27.550 14.435 728 HB THR 99 HB THR 99 -9.834 -26.996 12.681 729 HG1 THR 99 1HG THR 99 -8.513 -25.684 11.660 730 HG21 THR 99 1HG2 THR 99 -10.233 -26.328 15.029 731 HG22 THR 99 2HG2 THR 99 -10.124 -24.943 13.942 732 HG23 THR 99 3HG2 THR 99 -8.761 -25.359 14.981 733 HA PRO 100 HA PRO 100 -9.915 -30.000 17.163 734 HB2 PRO 100 1HB PRO 100 -9.662 -28.427 19.361 735 HB3 PRO 100 2HB PRO 100 -8.366 -29.477 18.777 736 HG2 PRO 100 1HG PRO 100 -8.746 -26.535 18.375 737 HG3 PRO 100 2HG PRO 100 -7.265 -27.429 18.764 738 HD2 PRO 100 1HD PRO 100 -7.840 -26.584 16.257 739 HD3 PRO 100 2HD PRO 100 -6.929 -28.074 16.577 740 H GLY 101 H GLY 101 -12.066 -30.082 17.281 741 HA2 GLY 101 1HA GLY 101 -13.547 -27.571 17.726 742 HA3 GLY 101 2HA GLY 101 -14.036 -28.678 16.452 743 H SER 102 H SER 102 -15.970 -28.141 18.114 744 HA SER 102 HA SER 102 -16.172 -30.549 19.785 745 HB2 SER 102 1HB SER 102 -16.581 -27.709 20.594 746 HB3 SER 102 2HB SER 102 -17.677 -28.917 21.264 747 HG SER 102 HG SER 102 -15.841 -30.047 22.023 748 H GLY 103 H GLY 103 -18.586 -30.785 20.518 749 HA2 GLY 103 1HA GLY 103 -20.543 -29.780 18.658 750 HA3 GLY 103 2HA GLY 103 -20.145 -31.472 18.398 751 HA PRO 104 HA PRO 104 -23.183 -30.672 22.056 752 HB2 PRO 104 1HB PRO 104 -25.576 -30.642 20.775 753 HB3 PRO 104 2HB PRO 104 -24.652 -29.175 21.119 754 HG2 PRO 104 1HG PRO 104 -24.835 -30.746 18.577 755 HG3 PRO 104 2HG PRO 104 -24.865 -28.988 18.811 756 HD2 PRO 104 1HD PRO 104 -22.644 -30.314 18.009 757 HD3 PRO 104 2HD PRO 104 -22.573 -28.850 19.010 758 H SER 105 H SER 105 -23.894 -32.469 19.062 759 HA SER 105 HA SER 105 -24.267 -34.691 18.696 760 HB2 SER 105 1HB SER 105 -22.449 -34.930 20.503 761 HB3 SER 105 2HB SER 105 -23.779 -35.240 21.620 762 HG SER 105 HG SER 105 -22.743 -37.110 20.513 763 H SER 106 H SER 106 -26.384 -32.951 19.220 764 HA SER 106 HA SER 106 -28.210 -33.962 21.134 765 HB2 SER 106 1HB SER 106 -28.268 -31.669 20.051 766 HB3 SER 106 2HB SER 106 -28.935 -32.452 18.619 767 HG SER 106 HG SER 106 -30.145 -32.969 21.082 768 H GLY 107 H GLY 107 -29.179 -35.873 21.096 769 HA2 GLY 107 1HA GLY 107 -29.976 -37.886 20.298 770 HA3 GLY 107 2HA GLY 107 -30.882 -36.848 19.207 Start of MODEL 18 1 H1 GLY 1 H GLY 1 19.202 -21.284 4.498 2 HA2 GLY 1 1HA GLY 1 19.442 -18.342 4.503 3 HA3 GLY 1 2HA GLY 1 18.510 -19.272 5.668 4 H SER 2 H SER 2 19.446 -18.854 7.574 5 HA SER 2 HA SER 2 20.976 -18.940 9.259 6 HB2 SER 2 1HB SER 2 21.523 -21.171 8.065 7 HB3 SER 2 2HB SER 2 22.925 -20.315 7.423 8 HG SER 2 HG SER 2 22.361 -20.306 10.184 9 H SER 3 H SER 3 20.833 -16.652 7.694 10 HA SER 3 HA SER 3 23.625 -15.810 7.349 11 HB2 SER 3 1HB SER 3 22.725 -13.918 6.078 12 HB3 SER 3 2HB SER 3 22.115 -15.441 5.430 13 HG SER 3 HG SER 3 20.622 -14.110 7.391 14 H GLY 4 H GLY 4 24.060 -13.479 7.974 15 HA2 GLY 4 1HA GLY 4 22.580 -12.044 9.824 16 HA3 GLY 4 2HA GLY 4 23.548 -13.178 10.755 17 H SER 5 H SER 5 24.088 -11.066 7.930 18 HA SER 5 HA SER 5 26.023 -9.486 9.333 19 HB2 SER 5 1HB SER 5 27.955 -10.089 7.904 20 HB3 SER 5 2HB SER 5 27.417 -11.443 8.898 21 HG SER 5 HG SER 5 26.059 -11.800 6.799 22 H SER 6 H SER 6 27.012 -7.833 7.901 23 HA SER 6 HA SER 6 25.034 -6.936 5.966 24 HB2 SER 6 1HB SER 6 27.432 -5.592 7.220 25 HB3 SER 6 2HB SER 6 26.443 -4.831 5.974 26 HG SER 6 HG SER 6 25.171 -4.272 7.537 27 H GLY 7 H GLY 7 25.438 -8.378 4.248 28 HA2 GLY 7 1HA GLY 7 28.091 -8.262 3.007 29 HA3 GLY 7 2HA GLY 7 26.811 -9.397 2.605 30 H VAL 8 H VAL 8 24.689 -7.932 1.987 31 HA VAL 8 HA VAL 8 25.555 -6.549 -0.428 32 HB VAL 8 HB VAL 8 23.792 -8.273 -0.590 33 HG11 VAL 8 1HG1 VAL 8 22.810 -7.568 1.690 34 HG12 VAL 8 2HG1 VAL 8 21.903 -6.377 0.756 35 HG13 VAL 8 3HG1 VAL 8 21.707 -8.098 0.421 36 HG21 VAL 8 1HG2 VAL 8 22.762 -5.517 -1.253 37 HG22 VAL 8 2HG2 VAL 8 23.954 -6.397 -2.209 38 HG23 VAL 8 3HG2 VAL 8 22.318 -7.034 -2.037 39 H LYS 9 H LYS 9 24.728 -4.487 -1.035 40 HA LYS 9 HA LYS 9 23.886 -2.825 1.249 41 HB2 LYS 9 1HB LYS 9 25.184 -0.999 0.386 42 HB3 LYS 9 2HB LYS 9 26.231 -2.408 0.492 43 HG2 LYS 9 1HG LYS 9 26.209 -2.729 -1.839 44 HG3 LYS 9 2HG LYS 9 24.853 -1.620 -2.056 45 HD2 LYS 9 1HD LYS 9 26.703 -0.370 -2.734 46 HD3 LYS 9 2HD LYS 9 26.425 0.164 -1.075 47 HE2 LYS 9 1HE LYS 9 28.280 -2.116 -1.557 48 HE3 LYS 9 2HE LYS 9 28.835 -0.484 -1.923 49 HZ1 LYS 9 1HZ LYS 9 27.569 -0.980 0.674 50 HZ2 LYS 9 2HZ LYS 9 28.779 0.127 0.260 51 HZ3 LYS 9 3HZ LYS 9 29.158 -1.512 0.441 52 HA PRO 10 HA PRO 10 20.379 -1.598 -1.095 53 HB2 PRO 10 1HB PRO 10 19.975 0.900 -0.111 54 HB3 PRO 10 2HB PRO 10 19.627 -0.565 0.815 55 HG2 PRO 10 1HG PRO 10 22.018 1.232 0.941 56 HG3 PRO 10 2HG PRO 10 21.104 0.492 2.268 57 HD2 PRO 10 1HD PRO 10 23.458 -0.511 1.382 58 HD3 PRO 10 2HD PRO 10 22.166 -1.540 2.032 59 HA PRO 11 HA PRO 11 22.537 0.557 -4.435 60 HB2 PRO 11 1HB PRO 11 20.786 -0.218 -6.360 61 HB3 PRO 11 2HB PRO 11 22.080 -1.263 -5.761 62 HG2 PRO 11 1HG PRO 11 19.178 -1.232 -5.029 63 HG3 PRO 11 2HG PRO 11 20.237 -2.619 -5.344 64 HD2 PRO 11 1HD PRO 11 19.598 -1.813 -2.839 65 HD3 PRO 11 2HD PRO 11 21.164 -2.549 -3.235 66 H HIS 12 H HIS 12 19.015 0.559 -3.937 67 HA HIS 12 HA HIS 12 18.990 3.396 -4.737 68 HB2 HIS 12 1HB HIS 12 16.436 2.773 -5.124 69 HB3 HIS 12 2HB HIS 12 17.649 2.510 -6.373 70 HD1 HIS 12 1HD HIS 12 16.242 0.477 -3.469 71 HD2 HIS 12 2HD HIS 12 17.438 0.040 -7.424 72 HE1 HIS 12 1HE HIS 12 15.809 -1.934 -4.040 73 HE2 HIS 12 2HE HIS 12 16.619 -2.195 -6.410 74 H GLY 13 H GLY 13 17.795 0.963 -2.500 75 HA2 GLY 13 1HA GLY 13 17.655 1.687 -0.150 76 HA3 GLY 13 2HA GLY 13 16.891 3.157 -0.737 77 H PHE 14 H PHE 14 16.247 -0.161 -1.773 78 HA PHE 14 HA PHE 14 13.608 -0.005 -0.492 79 HB2 PHE 14 1HB PHE 14 14.225 -0.567 -3.379 80 HB3 PHE 14 2HB PHE 14 12.770 -1.214 -2.630 81 HD1 PHE 14 1HD PHE 14 14.588 2.043 -2.807 82 HD2 PHE 14 2HD PHE 14 10.855 0.002 -2.920 83 HE1 PHE 14 1HE PHE 14 13.437 4.179 -3.214 84 HE2 PHE 14 2HE PHE 14 9.697 2.134 -3.327 85 HZ PHE 14 HZ PHE 14 10.988 4.226 -3.476 86 H GLN 15 H GLN 15 12.622 -2.034 -0.040 87 HA GLN 15 HA GLN 15 14.505 -4.301 -0.066 88 HB2 GLN 15 1HB GLN 15 12.439 -3.666 2.048 89 HB3 GLN 15 2HB GLN 15 13.546 -5.033 2.059 90 HG2 GLN 15 1HG GLN 15 15.427 -3.610 2.353 91 HG3 GLN 15 2HG GLN 15 14.452 -2.168 2.071 92 HE21 GLN 15 1HE2 GLN 15 14.357 -5.034 4.168 93 HE22 GLN 15 2HE2 GLN 15 13.998 -4.169 5.620 94 H LYS 16 H LYS 16 13.520 -6.433 -0.090 95 HA LYS 16 HA LYS 16 11.175 -6.471 -1.818 96 HB2 LYS 16 1HB LYS 16 13.353 -8.395 -1.147 97 HB3 LYS 16 2HB LYS 16 11.816 -9.045 -1.703 98 HG2 LYS 16 1HG LYS 16 12.067 -8.217 -3.811 99 HG3 LYS 16 2HG LYS 16 13.055 -6.855 -3.279 100 HD2 LYS 16 1HD LYS 16 14.607 -8.185 -4.362 101 HD3 LYS 16 2HD LYS 16 14.795 -8.695 -2.682 102 HE2 LYS 16 1HE LYS 16 12.840 -10.130 -4.414 103 HE3 LYS 16 2HE LYS 16 14.560 -10.456 -4.625 104 HZ1 LYS 16 1HZ LYS 16 13.146 -11.830 -2.944 105 HZ2 LYS 16 2HZ LYS 16 13.431 -10.516 -1.917 106 HZ3 LYS 16 3HZ LYS 16 14.733 -11.385 -2.559 107 H LYS 17 H LYS 17 9.318 -7.707 -1.396 108 HA LYS 17 HA LYS 17 7.676 -8.682 -0.149 109 HB2 LYS 17 1HB LYS 17 9.698 -9.134 2.040 110 HB3 LYS 17 2HB LYS 17 8.218 -10.033 1.728 111 HG2 LYS 17 1HG LYS 17 9.261 -10.765 -0.446 112 HG3 LYS 17 2HG LYS 17 10.773 -10.075 0.148 113 HD2 LYS 17 1HD LYS 17 10.576 -11.539 2.155 114 HD3 LYS 17 2HD LYS 17 9.168 -12.298 1.407 115 HE2 LYS 17 1HE LYS 17 11.732 -12.142 -0.112 116 HE3 LYS 17 2HE LYS 17 11.549 -13.358 1.152 117 HZ1 LYS 17 1HZ LYS 17 9.554 -14.156 0.021 118 HZ2 LYS 17 2HZ LYS 17 10.911 -14.250 -0.984 119 HZ3 LYS 17 3HZ LYS 17 9.778 -13.014 -1.208 120 H MET 18 H MET 18 8.465 -5.839 0.043 121 HA MET 18 HA MET 18 7.410 -5.225 2.723 122 HB2 MET 18 1HB MET 18 8.547 -3.155 2.667 123 HB3 MET 18 2HB MET 18 9.702 -4.339 2.070 124 HG2 MET 18 1HG MET 18 9.237 -3.661 -0.219 125 HG3 MET 18 2HG MET 18 8.047 -2.497 0.360 126 HE1 MET 18 1HE MET 18 9.875 -0.557 -1.242 127 HE2 MET 18 2HE MET 18 8.524 -0.416 -0.117 128 HE3 MET 18 3HE MET 18 9.997 0.519 0.151 129 H LYS 19 H LYS 19 6.320 -2.904 2.631 130 HA LYS 19 HA LYS 19 4.391 -2.960 0.403 131 HB2 LYS 19 1HB LYS 19 3.989 -2.384 3.331 132 HB3 LYS 19 2HB LYS 19 2.833 -1.847 2.119 133 HG2 LYS 19 1HG LYS 19 3.671 -4.714 2.478 134 HG3 LYS 19 2HG LYS 19 2.253 -3.994 3.243 135 HD2 LYS 19 1HD LYS 19 1.408 -3.395 0.984 136 HD3 LYS 19 2HD LYS 19 2.777 -4.263 0.283 137 HE2 LYS 19 1HE LYS 19 1.945 -6.315 0.858 138 HE3 LYS 19 2HE LYS 19 1.073 -5.691 2.258 139 HZ1 LYS 19 1HZ LYS 19 0.280 -5.645 -0.582 140 HZ2 LYS 19 2HZ LYS 19 -0.377 -4.531 0.508 141 HZ3 LYS 19 3HZ LYS 19 -0.597 -6.189 0.759 142 H LEU 20 H LEU 20 3.801 -1.034 -0.544 143 HA LEU 20 HA LEU 20 4.638 1.499 0.516 144 HB2 LEU 20 1HB LEU 20 6.368 2.035 -0.851 145 HB3 LEU 20 2HB LEU 20 6.633 0.297 -0.727 146 HG LEU 20 HG LEU 20 5.113 0.315 -2.917 147 HD11 LEU 20 1HD1 LEU 20 4.669 2.564 -3.230 148 HD12 LEU 20 2HD1 LEU 20 6.057 2.299 -4.284 149 HD13 LEU 20 3HD1 LEU 20 6.279 3.062 -2.709 150 HD21 LEU 20 1HD2 LEU 20 7.695 0.995 -3.846 151 HD22 LEU 20 2HD2 LEU 20 6.995 -0.611 -3.637 152 HD23 LEU 20 3HD2 LEU 20 7.892 0.139 -2.316 153 H GLU 21 H GLU 21 3.548 3.201 -0.402 154 HA GLU 21 HA GLU 21 1.321 2.491 -2.111 155 HB2 GLU 21 1HB GLU 21 2.092 5.108 -0.809 156 HB3 GLU 21 2HB GLU 21 0.621 4.853 -1.738 157 HG2 GLU 21 1HG GLU 21 -0.179 3.253 -0.139 158 HG3 GLU 21 2HG GLU 21 1.344 3.317 0.745 159 H VAL 22 H VAL 22 1.448 2.547 -4.245 160 HA VAL 22 HA VAL 22 3.400 4.357 -5.503 161 HB VAL 22 HB VAL 22 2.182 1.789 -6.519 162 HG11 VAL 22 1HG1 VAL 22 2.305 3.207 -8.410 163 HG12 VAL 22 2HG1 VAL 22 3.884 3.831 -7.929 164 HG13 VAL 22 3HG1 VAL 22 3.725 2.164 -8.482 165 HG21 VAL 22 1HG2 VAL 22 4.423 0.930 -6.454 166 HG22 VAL 22 2HG2 VAL 22 5.065 2.509 -6.004 167 HG23 VAL 22 3HG2 VAL 22 4.044 1.619 -4.875 168 H VAL 23 H VAL 23 2.786 5.731 -7.133 169 HA VAL 23 HA VAL 23 -0.057 6.319 -7.282 170 HB VAL 23 HB VAL 23 2.325 7.777 -8.435 171 HG11 VAL 23 1HG1 VAL 23 0.196 8.047 -9.729 172 HG12 VAL 23 2HG1 VAL 23 -0.524 8.744 -8.276 173 HG13 VAL 23 3HG1 VAL 23 0.845 9.541 -9.052 174 HG21 VAL 23 1HG2 VAL 23 2.412 9.005 -6.553 175 HG22 VAL 23 2HG2 VAL 23 0.658 9.041 -6.373 176 HG23 VAL 23 3HG2 VAL 23 1.572 7.633 -5.829 177 H ASP 24 H ASP 24 -1.283 5.407 -8.781 178 HA ASP 24 HA ASP 24 -0.418 3.850 -10.900 179 HB2 ASP 24 1HB ASP 24 -2.810 4.249 -9.832 180 HB3 ASP 24 2HB ASP 24 -2.980 5.356 -11.191 181 H LYS 25 H LYS 25 0.656 4.355 -12.678 182 HA LYS 25 HA LYS 25 1.330 6.894 -13.524 183 HB2 LYS 25 1HB LYS 25 1.008 4.683 -15.523 184 HB3 LYS 25 2HB LYS 25 2.269 5.904 -15.415 185 HG2 LYS 25 1HG LYS 25 1.925 3.439 -13.736 186 HG3 LYS 25 2HG LYS 25 3.269 3.865 -14.800 187 HD2 LYS 25 1HD LYS 25 2.556 5.564 -12.431 188 HD3 LYS 25 2HD LYS 25 3.587 4.141 -12.261 189 HE2 LYS 25 1HE LYS 25 5.300 5.072 -13.477 190 HE3 LYS 25 2HE LYS 25 4.224 6.136 -14.381 191 HZ1 LYS 25 1HZ LYS 25 5.459 6.527 -11.768 192 HZ2 LYS 25 2HZ LYS 25 3.893 7.135 -11.968 193 HZ3 LYS 25 3HZ LYS 25 5.137 7.650 -12.992 194 H ARG 26 H ARG 26 -1.119 4.781 -15.035 195 HA ARG 26 HA ARG 26 -2.120 6.661 -16.831 196 HB2 ARG 26 1HB ARG 26 -4.179 5.238 -16.848 197 HB3 ARG 26 2HB ARG 26 -2.683 4.348 -17.096 198 HG2 ARG 26 1HG ARG 26 -3.573 4.539 -14.303 199 HG3 ARG 26 2HG ARG 26 -4.628 3.617 -15.375 200 HD2 ARG 26 1HD ARG 26 -1.717 3.096 -15.557 201 HD3 ARG 26 2HD ARG 26 -2.545 2.531 -14.107 202 HE ARG 26 HE ARG 26 -4.033 1.732 -16.334 203 HH11 ARG 26 2HH1 ARG 26 -0.950 1.101 -14.845 204 HH12 ARG 26 1HH1 ARG 26 -0.853 -0.527 -15.432 205 HH21 ARG 26 2HH2 ARG 26 -3.918 -0.409 -17.112 206 HH22 ARG 26 1HH2 ARG 26 -2.541 -1.384 -16.721 207 H ASN 27 H ASN 27 -2.822 6.142 -13.442 208 HA ASN 27 HA ASN 27 -4.546 8.527 -13.497 209 HB2 ASN 27 1HB ASN 27 -4.991 6.226 -11.600 210 HB3 ASN 27 2HB ASN 27 -6.075 7.567 -11.960 211 HD21 ASN 27 1HD2 ASN 27 -6.932 4.963 -12.053 212 HD22 ASN 27 2HD2 ASN 27 -7.274 4.527 -13.689 213 HA PRO 28 HA PRO 28 -1.129 9.456 -10.626 214 HB2 PRO 28 1HB PRO 28 -1.290 12.142 -10.984 215 HB3 PRO 28 2HB PRO 28 -0.413 11.077 -12.088 216 HG2 PRO 28 1HG PRO 28 -3.161 12.234 -12.356 217 HG3 PRO 28 2HG PRO 28 -1.887 12.082 -13.580 218 HD2 PRO 28 1HD PRO 28 -3.976 10.366 -13.431 219 HD3 PRO 28 2HD PRO 28 -2.365 9.864 -13.984 220 H MET 29 H MET 29 -4.448 9.943 -10.591 221 HA MET 29 HA MET 29 -4.366 11.306 -7.986 222 HB2 MET 29 1HB MET 29 -6.570 12.060 -8.364 223 HB3 MET 29 2HB MET 29 -5.737 12.282 -9.897 224 HG2 MET 29 1HG MET 29 -7.290 9.785 -9.384 225 HG3 MET 29 2HG MET 29 -8.117 11.268 -9.855 226 HE1 MET 29 1HE MET 29 -8.029 12.412 -11.874 227 HE2 MET 29 2HE MET 29 -6.326 12.644 -12.270 228 HE3 MET 29 3HE MET 29 -7.398 11.840 -13.418 229 H PHE 30 H PHE 30 -4.034 8.350 -8.796 230 HA PHE 30 HA PHE 30 -5.864 7.323 -6.743 231 HB2 PHE 30 1HB PHE 30 -5.489 6.306 -9.537 232 HB3 PHE 30 2HB PHE 30 -5.888 5.177 -8.247 233 HD1 PHE 30 2HD PHE 30 -7.075 7.993 -10.255 234 HD2 PHE 30 1HD PHE 30 -8.054 5.202 -7.195 235 HE1 PHE 30 2HE PHE 30 -9.454 8.574 -10.491 236 HE2 PHE 30 1HE PHE 30 -10.435 5.777 -7.426 237 HZ PHE 30 HZ PHE 30 -11.138 7.466 -9.075 238 H ILE 31 H ILE 31 -4.605 6.648 -5.142 239 HA ILE 31 HA ILE 31 -2.073 5.299 -5.813 240 HB ILE 31 HB ILE 31 -2.834 6.771 -3.288 241 HG12 ILE 31 1HG1 ILE 31 -0.552 7.455 -5.115 242 HG13 ILE 31 2HG1 ILE 31 -2.179 8.012 -5.489 243 HG21 ILE 31 1HG2 ILE 31 -0.736 6.216 -2.383 244 HG22 ILE 31 2HG2 ILE 31 -1.374 4.706 -3.031 245 HG23 ILE 31 3HG2 ILE 31 -0.143 5.597 -3.924 246 HD11 ILE 31 1HD1 ILE 31 -2.169 8.935 -3.086 247 HD12 ILE 31 2HD1 ILE 31 -0.420 8.739 -3.190 248 HD13 ILE 31 3HD1 ILE 31 -1.259 9.786 -4.333 249 H ARG 32 H ARG 32 -1.784 3.241 -5.214 250 HA ARG 32 HA ARG 32 -3.636 2.078 -3.246 251 HB2 ARG 32 1HB ARG 32 -2.803 0.879 -5.893 252 HB3 ARG 32 2HB ARG 32 -3.649 -0.006 -4.630 253 HG2 ARG 32 1HG ARG 32 -5.576 1.388 -4.847 254 HG3 ARG 32 2HG ARG 32 -4.725 2.476 -5.945 255 HD2 ARG 32 1HD ARG 32 -4.430 0.425 -7.447 256 HD3 ARG 32 2HD ARG 32 -5.658 -0.335 -6.435 257 HE ARG 32 HE ARG 32 -7.255 1.015 -7.397 258 HH11 ARG 32 2HH1 ARG 32 -4.077 2.119 -8.293 259 HH12 ARG 32 1HH1 ARG 32 -4.657 3.222 -9.496 260 HH21 ARG 32 2HH2 ARG 32 -8.031 2.464 -8.979 261 HH22 ARG 32 1HH2 ARG 32 -6.906 3.418 -9.885 262 H VAL 33 H VAL 33 -2.833 -0.055 -2.406 263 HA VAL 33 HA VAL 33 -0.178 0.253 -1.437 264 HB VAL 33 HB VAL 33 -2.204 -1.957 -1.187 265 HG11 VAL 33 1HG1 VAL 33 -0.411 -3.322 -0.962 266 HG12 VAL 33 2HG1 VAL 33 0.685 -1.999 -0.556 267 HG13 VAL 33 3HG1 VAL 33 -0.406 -2.651 0.668 268 HG21 VAL 33 1HG2 VAL 33 -1.254 -0.880 1.276 269 HG22 VAL 33 2HG2 VAL 33 -1.695 0.450 0.205 270 HG23 VAL 33 3HG2 VAL 33 -2.876 -0.802 0.587 271 H ALA 34 H ALA 34 1.684 -0.821 -1.946 272 HA ALA 34 HA ALA 34 1.584 -2.664 -4.241 273 HB1 ALA 34 1HB ALA 34 3.987 -0.967 -3.945 274 HB2 ALA 34 2HB ALA 34 3.175 -1.544 -5.401 275 HB3 ALA 34 3HB ALA 34 2.515 -0.174 -4.507 276 H THR 35 H THR 35 3.549 -4.034 -4.426 277 HA THR 35 HA THR 35 4.889 -4.511 -1.859 278 HB THR 35 HB THR 35 3.541 -6.659 -3.507 279 HG1 THR 35 1HG THR 35 2.413 -5.182 -1.819 280 HG21 THR 35 1HG2 THR 35 4.756 -8.217 -2.452 281 HG22 THR 35 2HG2 THR 35 4.584 -7.410 -0.894 282 HG23 THR 35 3HG2 THR 35 5.850 -6.906 -2.013 283 H VAL 36 H VAL 36 6.970 -4.203 -2.317 284 HA VAL 36 HA VAL 36 8.154 -4.381 -4.841 285 HB VAL 36 HB VAL 36 9.606 -4.767 -2.225 286 HG11 VAL 36 1HG1 VAL 36 11.525 -4.374 -3.344 287 HG12 VAL 36 2HG1 VAL 36 10.591 -4.938 -4.731 288 HG13 VAL 36 3HG1 VAL 36 10.775 -3.209 -4.435 289 HG21 VAL 36 1HG2 VAL 36 8.251 -2.825 -1.942 290 HG22 VAL 36 2HG2 VAL 36 9.892 -2.277 -2.286 291 HG23 VAL 36 3HG2 VAL 36 8.663 -2.230 -3.550 292 H ALA 37 H ALA 37 8.000 -6.223 -5.992 293 HA ALA 37 HA ALA 37 8.355 -8.813 -4.762 294 HB1 ALA 37 1HB ALA 37 8.287 -8.499 -7.715 295 HB2 ALA 37 2HB ALA 37 7.518 -9.708 -6.686 296 HB3 ALA 37 3HB ALA 37 6.837 -8.085 -6.800 297 H ASP 38 H ASP 38 10.067 -6.898 -7.229 298 HA ASP 38 HA ASP 38 12.547 -8.260 -6.463 299 HB2 ASP 38 1HB ASP 38 11.349 -9.137 -8.651 300 HB3 ASP 38 2HB ASP 38 12.088 -7.705 -9.363 301 H THR 39 H THR 39 14.203 -6.903 -6.192 302 HA THR 39 HA THR 39 13.820 -4.102 -6.968 303 HB THR 39 HB THR 39 15.752 -3.676 -5.408 304 HG1 THR 39 1HG THR 39 16.749 -5.339 -4.571 305 HG21 THR 39 1HG2 THR 39 13.831 -5.046 -3.671 306 HG22 THR 39 2HG2 THR 39 13.087 -3.988 -4.870 307 HG23 THR 39 3HG2 THR 39 14.279 -3.342 -3.743 308 H ASP 40 H ASP 40 14.661 -3.604 -8.886 309 HA ASP 40 HA ASP 40 16.868 -5.045 -10.023 310 HB2 ASP 40 1HB ASP 40 14.834 -3.799 -11.177 311 HB3 ASP 40 2HB ASP 40 15.948 -2.435 -11.147 312 H ASP 41 H ASP 41 18.493 -3.329 -11.227 313 HA ASP 41 HA ASP 41 20.382 -2.627 -9.360 314 HB2 ASP 41 1HB ASP 41 21.224 -1.010 -11.172 315 HB3 ASP 41 2HB ASP 41 21.101 -2.715 -11.598 316 H HIS 42 H HIS 42 18.184 -0.343 -11.002 317 HA HIS 42 HA HIS 42 18.368 1.384 -8.623 318 HB2 HIS 42 1HB HIS 42 17.914 2.543 -11.349 319 HB3 HIS 42 2HB HIS 42 18.583 3.309 -9.910 320 HD1 HIS 42 1HD HIS 42 21.025 2.045 -9.200 321 HD2 HIS 42 2HD HIS 42 19.830 2.075 -13.180 322 HE1 HIS 42 1HE HIS 42 23.118 1.640 -10.534 323 HE2 HIS 42 2HE HIS 42 22.385 1.748 -12.941 324 H ARG 43 H ARG 43 16.397 -0.471 -10.533 325 HA ARG 43 HA ARG 43 14.013 1.130 -9.878 326 HB2 ARG 43 1HB ARG 43 14.276 -1.039 -11.968 327 HB3 ARG 43 2HB ARG 43 12.867 -0.025 -11.684 328 HG2 ARG 43 1HG ARG 43 14.469 1.937 -12.190 329 HG3 ARG 43 2HG ARG 43 15.491 0.695 -12.916 330 HD2 ARG 43 1HD ARG 43 13.367 -0.006 -14.187 331 HD3 ARG 43 2HD ARG 43 12.734 1.568 -13.707 332 HE ARG 43 HE ARG 43 15.154 2.132 -14.821 333 HH11 ARG 43 2HH1 ARG 43 12.313 0.421 -15.879 334 HH12 ARG 43 1HH1 ARG 43 12.542 0.810 -17.552 335 HH21 ARG 43 2HH2 ARG 43 15.467 2.652 -17.020 336 HH22 ARG 43 1HH2 ARG 43 14.337 2.078 -18.200 337 H VAL 44 H VAL 44 12.024 -0.223 -9.471 338 HA VAL 44 HA VAL 44 12.556 -2.824 -8.270 339 HB VAL 44 HB VAL 44 11.445 -2.242 -6.160 340 HG11 VAL 44 1HG1 VAL 44 13.269 -0.971 -5.166 341 HG12 VAL 44 2HG1 VAL 44 13.890 -2.160 -6.312 342 HG13 VAL 44 3HG1 VAL 44 13.801 -0.458 -6.767 343 HG21 VAL 44 1HG2 VAL 44 11.240 0.233 -5.633 344 HG22 VAL 44 2HG2 VAL 44 11.380 0.511 -7.369 345 HG23 VAL 44 3HG2 VAL 44 10.037 -0.439 -6.733 346 H LYS 45 H LYS 45 10.992 -4.184 -8.820 347 HA LYS 45 HA LYS 45 8.682 -3.335 -10.228 348 HB2 LYS 45 1HB LYS 45 9.914 -5.565 -10.428 349 HB3 LYS 45 2HB LYS 45 9.058 -6.049 -8.970 350 HG2 LYS 45 1HG LYS 45 6.986 -6.025 -10.031 351 HG3 LYS 45 2HG LYS 45 7.576 -5.032 -11.365 352 HD2 LYS 45 1HD LYS 45 9.175 -7.119 -11.717 353 HD3 LYS 45 2HD LYS 45 7.855 -7.954 -10.895 354 HE2 LYS 45 1HE LYS 45 6.364 -6.673 -12.617 355 HE3 LYS 45 2HE LYS 45 7.867 -6.544 -13.529 356 HZ1 LYS 45 1HZ LYS 45 7.601 -9.185 -12.648 357 HZ2 LYS 45 2HZ LYS 45 7.568 -8.604 -14.236 358 HZ3 LYS 45 3HZ LYS 45 6.131 -8.731 -13.352 359 H VAL 46 H VAL 46 6.843 -2.573 -9.439 360 HA VAL 46 HA VAL 46 6.162 -3.150 -6.634 361 HB VAL 46 HB VAL 46 4.622 -1.152 -6.875 362 HG11 VAL 46 1HG1 VAL 46 6.315 -0.367 -5.652 363 HG12 VAL 46 2HG1 VAL 46 7.516 -1.231 -6.614 364 HG13 VAL 46 3HG1 VAL 46 6.923 0.343 -7.147 365 HG21 VAL 46 1HG2 VAL 46 4.431 -0.051 -8.801 366 HG22 VAL 46 2HG2 VAL 46 6.181 0.053 -8.993 367 HG23 VAL 46 3HG2 VAL 46 5.315 -1.377 -9.557 368 H HIS 47 H HIS 47 4.660 -4.656 -6.376 369 HA HIS 47 HA HIS 47 2.656 -5.054 -8.483 370 HB2 HIS 47 1HB HIS 47 3.684 -7.112 -8.082 371 HB3 HIS 47 2HB HIS 47 3.790 -6.831 -6.346 372 HD1 HIS 47 1HD HIS 47 1.612 -8.267 -8.957 373 HD2 HIS 47 2HD HIS 47 1.343 -7.276 -4.931 374 HE1 HIS 47 1HE HIS 47 -0.456 -9.425 -8.117 375 HE2 HIS 47 2HE HIS 47 -0.645 -8.742 -5.700 376 H PHE 48 H PHE 48 0.571 -4.593 -8.158 377 HA PHE 48 HA PHE 48 -0.206 -3.385 -5.645 378 HB2 PHE 48 1HB PHE 48 -1.564 -3.698 -8.316 379 HB3 PHE 48 2HB PHE 48 -2.417 -3.069 -6.910 380 HD1 PHE 48 1HD PHE 48 1.028 -2.505 -8.223 381 HD2 PHE 48 2HD PHE 48 -2.733 -0.810 -7.173 382 HE1 PHE 48 1HE PHE 48 1.911 -0.259 -8.700 383 HE2 PHE 48 2HE PHE 48 -1.856 1.439 -7.650 384 HZ PHE 48 HZ PHE 48 0.469 1.717 -8.415 385 H ASP 49 H ASP 49 -0.667 -4.761 -4.043 386 HA ASP 49 HA ASP 49 -1.362 -7.365 -4.058 387 HB2 ASP 49 1HB ASP 49 -1.060 -5.774 -2.057 388 HB3 ASP 49 2HB ASP 49 -2.790 -5.475 -2.200 389 H GLY 50 H GLY 50 -2.925 -8.544 -4.935 390 HA2 GLY 50 1HA GLY 50 -5.196 -9.134 -5.269 391 HA3 GLY 50 2HA GLY 50 -5.634 -7.440 -5.099 392 H TRP 51 H TRP 51 -4.508 -6.029 -6.885 393 HA TRP 51 HA TRP 51 -5.699 -6.563 -9.299 394 HB2 TRP 51 1HB TRP 51 -3.188 -4.966 -8.757 395 HB3 TRP 51 2HB TRP 51 -4.071 -4.934 -10.281 396 HD1 TRP 51 HD TRP 51 -4.572 -4.009 -6.562 397 HE1 TRP 51 1HE TRP 51 -6.320 -2.124 -6.436 398 HE3 TRP 51 3HE TRP 51 -5.887 -3.790 -11.497 399 HZ2 TRP 51 2HZ TRP 51 -8.030 -0.729 -8.196 400 HZ3 TRP 51 3HZ TRP 51 -7.587 -2.153 -12.193 401 HH2 TRP 51 HH TRP 51 -8.635 -0.656 -10.575 402 H ASN 52 H ASN 52 -5.143 -7.566 -11.191 403 HA ASN 52 HA ASN 52 -3.677 -9.865 -11.198 404 HB2 ASN 52 1HB ASN 52 -5.241 -9.047 -13.005 405 HB3 ASN 52 2HB ASN 52 -3.912 -8.064 -13.613 406 HD21 ASN 52 1HD2 ASN 52 -4.037 -9.215 -15.578 407 HD22 ASN 52 2HD2 ASN 52 -3.359 -10.798 -15.726 408 H ASN 53 H ASN 53 -1.609 -10.486 -11.900 409 HA ASN 53 HA ASN 53 0.515 -8.898 -11.040 410 HB2 ASN 53 1HB ASN 53 0.975 -11.187 -11.116 411 HB3 ASN 53 2HB ASN 53 0.338 -11.360 -12.749 412 HD21 ASN 53 1HD2 ASN 53 3.089 -10.984 -10.865 413 HD22 ASN 53 2HD2 ASN 53 4.225 -10.680 -12.131 414 H CYS 54 H CYS 54 -0.966 -9.227 -14.200 415 HA CYS 54 HA CYS 54 0.943 -8.113 -15.844 416 HB2 CYS 54 1HB CYS 54 -1.112 -9.026 -16.739 417 HB3 CYS 54 2HB CYS 54 -2.060 -7.780 -15.936 418 HG CYS 54 HG CYS 54 -1.662 -5.838 -17.656 419 H TYR 55 H TYR 55 -1.649 -6.355 -14.139 420 HA TYR 55 HA TYR 55 -1.191 -3.797 -14.845 421 HB2 TYR 55 1HB TYR 55 -1.974 -5.036 -12.248 422 HB3 TYR 55 2HB TYR 55 -1.609 -3.314 -12.264 423 HD1 TYR 55 1HD TYR 55 -2.998 -1.761 -13.572 424 HD2 TYR 55 2HD TYR 55 -3.962 -5.896 -13.289 425 HE1 TYR 55 1HE TYR 55 -5.266 -1.283 -14.395 426 HE2 TYR 55 2HE TYR 55 -6.232 -5.429 -14.112 427 HH TYR 55 HH TYR 55 -7.207 -3.270 -15.699 428 H ASP 56 H ASP 56 0.697 -5.603 -12.451 429 HA ASP 56 HA ASP 56 2.344 -3.729 -11.404 430 HB2 ASP 56 1HB ASP 56 3.493 -6.305 -12.458 431 HB3 ASP 56 2HB ASP 56 3.938 -5.423 -10.999 432 H TYR 57 H TYR 57 4.495 -2.976 -11.920 433 HA TYR 57 HA TYR 57 5.479 -3.174 -14.608 434 HB2 TYR 57 1HB TYR 57 5.354 -0.641 -14.948 435 HB3 TYR 57 2HB TYR 57 3.863 -1.550 -15.168 436 HD1 TYR 57 2HD TYR 57 5.722 0.313 -12.515 437 HD2 TYR 57 1HD TYR 57 1.942 -0.784 -14.133 438 HE1 TYR 57 2HE TYR 57 4.604 1.763 -10.873 439 HE2 TYR 57 1HE TYR 57 0.814 0.664 -12.495 440 HH TYR 57 HH TYR 57 2.520 2.920 -10.556 441 H TRP 58 H TRP 58 7.567 -2.302 -14.855 442 HA TRP 58 HA TRP 58 9.075 -2.188 -12.423 443 HB2 TRP 58 1HB TRP 58 9.710 -2.113 -15.340 444 HB3 TRP 58 2HB TRP 58 10.927 -1.536 -14.205 445 HD1 TRP 58 HD TRP 58 9.665 -4.648 -15.762 446 HE1 TRP 58 1HE TRP 58 10.739 -6.707 -14.653 447 HE3 TRP 58 3HE TRP 58 11.721 -2.384 -11.664 448 HZ2 TRP 58 2HZ TRP 58 12.257 -7.295 -12.347 449 HZ3 TRP 58 3HZ TRP 58 12.968 -3.767 -10.055 450 HH2 TRP 58 HH TRP 58 13.228 -6.171 -10.391 451 H ILE 59 H ILE 59 8.968 -0.421 -11.189 452 HA ILE 59 HA ILE 59 9.091 2.212 -12.505 453 HB ILE 59 HB ILE 59 7.066 1.681 -11.071 454 HG12 ILE 59 1HG1 ILE 59 8.675 4.031 -10.073 455 HG13 ILE 59 2HG1 ILE 59 7.955 3.990 -11.679 456 HG21 ILE 59 1HG2 ILE 59 8.116 0.486 -9.277 457 HG22 ILE 59 2HG2 ILE 59 9.142 1.868 -8.896 458 HG23 ILE 59 3HG2 ILE 59 7.402 1.960 -8.622 459 HD11 ILE 59 1HD1 ILE 59 6.034 3.315 -9.630 460 HD12 ILE 59 2HD1 ILE 59 6.771 4.893 -9.354 461 HD13 ILE 59 3HD1 ILE 59 5.965 4.552 -10.885 462 H ASP 60 H ASP 60 10.515 3.772 -11.740 463 HA ASP 60 HA ASP 60 12.969 2.801 -10.689 464 HB2 ASP 60 1HB ASP 60 11.972 5.618 -11.151 465 HB3 ASP 60 2HB ASP 60 13.619 5.221 -10.670 466 H ALA 61 H ALA 61 13.586 2.551 -8.649 467 HA ALA 61 HA ALA 61 11.866 3.003 -6.472 468 HB1 ALA 61 1HB ALA 61 13.291 1.514 -5.645 469 HB2 ALA 61 2HB ALA 61 14.478 1.868 -6.902 470 HB3 ALA 61 3HB ALA 61 14.446 2.829 -5.423 471 H ASP 62 H ASP 62 13.822 5.152 -8.186 472 HA ASP 62 HA ASP 62 14.035 7.007 -5.920 473 HB2 ASP 62 1HB ASP 62 15.524 6.667 -8.476 474 HB3 ASP 62 2HB ASP 62 15.373 8.300 -7.833 475 H SER 63 H SER 63 11.842 6.272 -8.173 476 HA SER 63 HA SER 63 11.228 8.767 -9.367 477 HB2 SER 63 1HB SER 63 10.436 6.429 -10.079 478 HB3 SER 63 2HB SER 63 9.211 6.592 -8.821 479 HG SER 63 HG SER 63 9.372 7.788 -11.284 480 HA PRO 64 HA PRO 64 9.339 10.915 -6.019 481 HB2 PRO 64 1HB PRO 64 7.844 12.675 -7.446 482 HB3 PRO 64 2HB PRO 64 9.600 12.810 -7.292 483 HG2 PRO 64 1HG PRO 64 7.976 11.682 -9.540 484 HG3 PRO 64 2HG PRO 64 9.400 12.736 -9.607 485 HD2 PRO 64 1HD PRO 64 9.545 10.065 -10.023 486 HD3 PRO 64 2HD PRO 64 10.866 10.989 -9.280 487 H ASP 65 H ASP 65 7.401 9.488 -8.572 488 HA ASP 65 HA ASP 65 4.857 9.866 -7.442 489 HB2 ASP 65 1HB ASP 65 5.434 7.380 -8.988 490 HB3 ASP 65 2HB ASP 65 4.069 8.486 -9.110 491 H ILE 66 H ILE 66 7.313 7.405 -6.931 492 HA ILE 66 HA ILE 66 5.737 5.583 -5.470 493 HB ILE 66 HB ILE 66 8.709 6.096 -5.383 494 HG12 ILE 66 1HG1 ILE 66 7.147 3.855 -6.679 495 HG13 ILE 66 2HG1 ILE 66 7.706 5.287 -7.537 496 HG21 ILE 66 1HG2 ILE 66 7.152 4.657 -3.539 497 HG22 ILE 66 2HG2 ILE 66 7.967 3.461 -4.545 498 HG23 ILE 66 3HG2 ILE 66 8.909 4.680 -3.686 499 HD11 ILE 66 1HD1 ILE 66 10.038 4.630 -6.742 500 HD12 ILE 66 2HD1 ILE 66 9.321 3.067 -6.347 501 HD13 ILE 66 3HD1 ILE 66 9.295 3.655 -8.010 502 H HIS 67 H HIS 67 4.853 5.768 -3.528 503 HA HIS 67 HA HIS 67 6.083 7.610 -1.586 504 HB2 HIS 67 1HB HIS 67 3.140 7.116 -2.076 505 HB3 HIS 67 2HB HIS 67 3.781 8.050 -0.728 506 HD1 HIS 67 1HD HIS 67 5.428 10.131 -1.641 507 HD2 HIS 67 2HD HIS 67 2.470 8.676 -4.169 508 HE1 HIS 67 1HE HIS 67 5.051 11.941 -3.346 509 HE2 HIS 67 2HE HIS 67 3.197 11.073 -4.813 510 HA PRO 68 HA PRO 68 6.293 4.148 1.123 511 HB2 PRO 68 1HB PRO 68 6.439 5.467 3.491 512 HB3 PRO 68 2HB PRO 68 7.786 5.391 2.350 513 HG2 PRO 68 1HG PRO 68 5.798 7.586 2.790 514 HG3 PRO 68 2HG PRO 68 7.551 7.696 2.547 515 HD2 PRO 68 1HD PRO 68 5.772 8.174 0.562 516 HD3 PRO 68 2HD PRO 68 7.375 7.473 0.259 517 H VAL 69 H VAL 69 5.104 3.023 2.740 518 HA VAL 69 HA VAL 69 2.323 3.220 2.541 519 HB VAL 69 HB VAL 69 4.112 1.785 4.483 520 HG11 VAL 69 1HG1 VAL 69 1.250 2.349 4.749 521 HG12 VAL 69 2HG1 VAL 69 1.670 0.640 4.874 522 HG13 VAL 69 3HG1 VAL 69 2.420 1.815 5.955 523 HG21 VAL 69 1HG2 VAL 69 4.058 0.820 2.305 524 HG22 VAL 69 2HG2 VAL 69 3.068 -0.197 3.352 525 HG23 VAL 69 3HG2 VAL 69 2.299 0.929 2.233 526 H GLY 70 H GLY 70 1.285 5.035 3.144 527 HA2 GLY 70 1HA GLY 70 0.184 5.870 5.236 528 HA3 GLY 70 2HA GLY 70 1.814 6.056 5.867 529 H TRP 71 H TRP 71 1.836 6.792 2.625 530 HA TRP 71 HA TRP 71 2.352 9.537 3.079 531 HB2 TRP 71 1HB TRP 71 3.439 8.622 1.211 532 HB3 TRP 71 2HB TRP 71 1.965 7.868 0.609 533 HD1 TRP 71 HD TRP 71 4.084 10.876 0.155 534 HE1 TRP 71 1HE TRP 71 2.925 12.562 -1.406 535 HE3 TRP 71 3HE TRP 71 -0.595 8.818 0.071 536 HZ2 TRP 71 2HZ TRP 71 0.365 12.966 -2.525 537 HZ3 TRP 71 3HZ TRP 71 -2.342 9.917 -1.269 538 HH2 TRP 71 HH TRP 71 -1.871 11.948 -2.539 539 H CYS 72 H CYS 72 -0.541 7.798 2.701 540 HA CYS 72 HA CYS 72 -2.175 9.686 1.417 541 HB2 CYS 72 1HB CYS 72 -4.044 8.442 2.290 542 HB3 CYS 72 2HB CYS 72 -2.781 7.300 1.848 543 HG CYS 72 HG CYS 72 -4.210 6.619 4.270 544 H SER 73 H SER 73 -1.037 9.438 4.702 545 HA SER 73 HA SER 73 -2.882 11.430 5.700 546 HB2 SER 73 1HB SER 73 -0.458 10.214 7.046 547 HB3 SER 73 2HB SER 73 -1.734 11.145 7.832 548 HG SER 73 HG SER 73 -2.549 9.216 8.123 549 H LYS 74 H LYS 74 0.651 11.216 5.285 550 HA LYS 74 HA LYS 74 1.558 13.604 6.057 551 HB2 LYS 74 1HB LYS 74 2.207 12.346 3.384 552 HB3 LYS 74 2HB LYS 74 3.184 13.558 4.202 553 HG2 LYS 74 1HG LYS 74 3.254 11.858 6.144 554 HG3 LYS 74 2HG LYS 74 2.743 10.691 4.922 555 HD2 LYS 74 1HD LYS 74 5.237 12.385 4.917 556 HD3 LYS 74 2HD LYS 74 5.131 10.627 5.048 557 HE2 LYS 74 1HE LYS 74 4.182 10.538 2.781 558 HE3 LYS 74 2HE LYS 74 4.340 12.289 2.656 559 HZ1 LYS 74 1HZ LYS 74 6.813 11.208 3.425 560 HZ2 LYS 74 2HZ LYS 74 6.422 12.029 1.999 561 HZ3 LYS 74 3HZ LYS 74 6.256 10.348 2.078 562 H THR 75 H THR 75 0.512 13.217 2.668 563 HA THR 75 HA THR 75 0.208 16.041 2.322 564 HB THR 75 HB THR 75 -0.565 15.536 0.087 565 HG1 THR 75 1HG THR 75 -1.908 13.754 0.545 566 HG21 THR 75 1HG2 THR 75 1.751 15.397 0.107 567 HG22 THR 75 2HG2 THR 75 1.292 13.836 -0.575 568 HG23 THR 75 3HG2 THR 75 1.757 13.956 1.122 569 H GLY 76 H GLY 76 -2.026 13.312 2.704 570 HA2 GLY 76 1HA GLY 76 -4.056 13.642 3.983 571 HA3 GLY 76 2HA GLY 76 -4.141 15.271 3.328 572 H HIS 77 H HIS 77 -3.361 12.477 1.372 573 HA HIS 77 HA HIS 77 -5.845 12.919 -0.128 574 HB2 HIS 77 1HB HIS 77 -3.136 11.884 -0.851 575 HB3 HIS 77 2HB HIS 77 -4.525 11.346 -1.791 576 HD1 HIS 77 1HD HIS 77 -3.599 14.800 -0.476 577 HD2 HIS 77 2HD HIS 77 -4.517 12.853 -4.030 578 HE1 HIS 77 1HE HIS 77 -3.613 16.592 -2.241 579 HE2 HIS 77 2HE HIS 77 -4.255 15.405 -4.367 580 HA PRO 78 HA PRO 78 -7.557 9.110 1.255 581 HB2 PRO 78 1HB PRO 78 -9.245 8.610 -0.811 582 HB3 PRO 78 2HB PRO 78 -9.550 9.865 0.396 583 HG2 PRO 78 1HG PRO 78 -8.413 10.124 -2.361 584 HG3 PRO 78 2HG PRO 78 -9.611 11.145 -1.545 585 HD2 PRO 78 1HD PRO 78 -7.003 11.841 -1.751 586 HD3 PRO 78 2HD PRO 78 -8.006 12.298 -0.359 587 H LEU 79 H LEU 79 -6.984 7.018 1.148 588 HA LEU 79 HA LEU 79 -5.432 6.141 -1.178 589 HB2 LEU 79 1HB LEU 79 -4.488 6.008 1.150 590 HB3 LEU 79 2HB LEU 79 -5.699 4.773 1.491 591 HG LEU 79 HG LEU 79 -4.648 3.519 -0.511 592 HD11 LEU 79 1HD1 LEU 79 -2.388 5.381 0.203 593 HD12 LEU 79 2HD1 LEU 79 -3.289 5.390 -1.312 594 HD13 LEU 79 3HD1 LEU 79 -2.295 3.997 -0.887 595 HD21 LEU 79 1HD2 LEU 79 -3.233 2.343 0.947 596 HD22 LEU 79 2HD2 LEU 79 -4.504 3.000 1.978 597 HD23 LEU 79 3HD2 LEU 79 -2.918 3.772 1.931 598 H GLN 80 H GLN 80 -5.880 4.228 -2.267 599 HA GLN 80 HA GLN 80 -8.608 3.204 -1.865 600 HB2 GLN 80 1HB GLN 80 -6.867 3.178 -4.336 601 HB3 GLN 80 2HB GLN 80 -8.471 2.464 -4.229 602 HG2 GLN 80 1HG GLN 80 -7.734 5.370 -4.059 603 HG3 GLN 80 2HG GLN 80 -8.698 4.564 -5.295 604 HE21 GLN 80 1HE2 GLN 80 -8.667 5.966 -2.152 605 HE22 GLN 80 2HE2 GLN 80 -10.366 5.864 -1.852 606 HA PRO 81 HA PRO 81 -6.749 -0.584 -0.504 607 HB2 PRO 81 1HB PRO 81 -9.035 -2.046 -0.426 608 HB3 PRO 81 2HB PRO 81 -8.621 -0.844 0.802 609 HG2 PRO 81 1HG PRO 81 -10.456 -0.594 -1.549 610 HG3 PRO 81 2HG PRO 81 -10.686 -0.025 0.115 611 HD2 PRO 81 1HD PRO 81 -9.913 1.619 -1.893 612 HD3 PRO 81 2HD PRO 81 -9.387 1.850 -0.213 613 HA PRO 82 HA PRO 82 -6.160 -3.114 -4.053 614 HB2 PRO 82 1HB PRO 82 -5.967 -5.591 -2.958 615 HB3 PRO 82 2HB PRO 82 -4.703 -4.367 -2.793 616 HG2 PRO 82 1HG PRO 82 -6.846 -5.150 -0.855 617 HG3 PRO 82 2HG PRO 82 -5.133 -4.812 -0.551 618 HD2 PRO 82 1HD PRO 82 -7.085 -3.000 -0.061 619 HD3 PRO 82 2HD PRO 82 -5.450 -2.529 -0.570 620 H LEU 83 H LEU 83 -6.928 -5.514 -4.810 621 HA LEU 83 HA LEU 83 -9.616 -5.230 -5.550 622 HB2 LEU 83 1HB LEU 83 -7.573 -7.371 -5.752 623 HB3 LEU 83 2HB LEU 83 -9.256 -7.829 -6.001 624 HG LEU 83 HG LEU 83 -7.642 -5.855 -7.609 625 HD11 LEU 83 1HD1 LEU 83 -7.206 -8.191 -8.127 626 HD12 LEU 83 2HD1 LEU 83 -8.090 -7.413 -9.440 627 HD13 LEU 83 3HD1 LEU 83 -8.934 -8.484 -8.322 628 HD21 LEU 83 1HD2 LEU 83 -10.092 -6.322 -8.861 629 HD22 LEU 83 2HD2 LEU 83 -9.550 -4.826 -8.099 630 HD23 LEU 83 3HD2 LEU 83 -10.486 -5.999 -7.172 631 H SER 84 H SER 84 -11.083 -7.357 -5.230 632 HA SER 84 HA SER 84 -11.685 -7.367 -2.392 633 HB2 SER 84 1HB SER 84 -13.135 -8.389 -4.831 634 HB3 SER 84 2HB SER 84 -13.693 -8.744 -3.197 635 HG SER 84 HG SER 84 -13.823 -6.406 -4.634 636 HA PRO 85 HA PRO 85 -10.024 -11.305 -1.401 637 HB2 PRO 85 1HB PRO 85 -11.850 -12.231 0.382 638 HB3 PRO 85 2HB PRO 85 -10.716 -10.927 0.757 639 HG2 PRO 85 1HG PRO 85 -13.592 -10.761 -0.055 640 HG3 PRO 85 2HG PRO 85 -12.730 -9.853 1.200 641 HD2 PRO 85 1HD PRO 85 -13.272 -8.810 -1.239 642 HD3 PRO 85 2HD PRO 85 -11.818 -8.376 -0.317 643 H LEU 86 H LEU 86 -12.816 -10.981 -3.191 644 HA LEU 86 HA LEU 86 -13.001 -13.893 -3.605 645 HB2 LEU 86 1HB LEU 86 -15.306 -13.744 -3.967 646 HB3 LEU 86 2HB LEU 86 -15.001 -12.752 -2.543 647 HG LEU 86 HG LEU 86 -15.129 -11.440 -5.219 648 HD11 LEU 86 1HD1 LEU 86 -17.291 -12.937 -4.005 649 HD12 LEU 86 2HD1 LEU 86 -17.195 -12.173 -5.592 650 HD13 LEU 86 3HD1 LEU 86 -17.688 -11.228 -4.187 651 HD21 LEU 86 1HD2 LEU 86 -16.433 -10.287 -2.860 652 HD22 LEU 86 2HD2 LEU 86 -15.328 -9.553 -4.022 653 HD23 LEU 86 3HD2 LEU 86 -14.694 -10.527 -2.694 654 H GLU 87 H GLU 87 -11.994 -11.051 -4.933 655 HA GLU 87 HA GLU 87 -12.566 -11.933 -7.683 656 HB2 GLU 87 1HB GLU 87 -11.892 -9.207 -6.577 657 HB3 GLU 87 2HB GLU 87 -11.918 -9.568 -8.297 658 HG2 GLU 87 1HG GLU 87 -14.307 -10.149 -6.604 659 HG3 GLU 87 2HG GLU 87 -13.994 -8.512 -7.177 660 H LEU 88 H LEU 88 -10.032 -10.869 -5.480 661 HA LEU 88 HA LEU 88 -7.913 -10.940 -7.360 662 HB2 LEU 88 1HB LEU 88 -6.462 -10.664 -5.532 663 HB3 LEU 88 2HB LEU 88 -7.929 -9.777 -5.124 664 HG LEU 88 HG LEU 88 -8.511 -12.054 -3.888 665 HD11 LEU 88 1HD1 LEU 88 -5.542 -12.075 -4.234 666 HD12 LEU 88 2HD1 LEU 88 -6.694 -13.406 -4.342 667 HD13 LEU 88 3HD1 LEU 88 -6.272 -12.731 -2.769 668 HD21 LEU 88 1HD2 LEU 88 -8.493 -9.978 -2.742 669 HD22 LEU 88 2HD2 LEU 88 -6.743 -9.824 -2.906 670 HD23 LEU 88 3HD2 LEU 88 -7.425 -11.059 -1.846 671 H MET 89 H MET 89 -9.667 -13.392 -5.776 672 HA MET 89 HA MET 89 -7.962 -15.438 -5.283 673 HB2 MET 89 1HB MET 89 -9.740 -16.916 -5.587 674 HB3 MET 89 2HB MET 89 -10.545 -15.388 -5.251 675 HG2 MET 89 1HG MET 89 -11.042 -15.065 -7.564 676 HG3 MET 89 2HG MET 89 -10.058 -16.453 -8.020 677 HE1 MET 89 1HE MET 89 -13.951 -15.673 -6.522 678 HE2 MET 89 2HE MET 89 -13.595 -16.827 -5.237 679 HE3 MET 89 3HE MET 89 -12.549 -15.427 -5.481 680 H GLU 90 H GLU 90 -6.897 -17.038 -6.432 681 HA GLU 90 HA GLU 90 -6.964 -17.009 -9.334 682 HB2 GLU 90 1HB GLU 90 -4.617 -16.610 -9.638 683 HB3 GLU 90 2HB GLU 90 -5.278 -15.285 -8.690 684 HG2 GLU 90 1HG GLU 90 -3.942 -17.641 -7.406 685 HG3 GLU 90 2HG GLU 90 -3.033 -16.243 -7.977 686 H ALA 91 H ALA 91 -6.233 -18.912 -10.269 687 HA ALA 91 HA ALA 91 -6.211 -21.224 -10.250 688 HB1 ALA 91 1HB ALA 91 -3.742 -20.710 -8.603 689 HB2 ALA 91 2HB ALA 91 -4.043 -22.052 -9.708 690 HB3 ALA 91 3HB ALA 91 -3.842 -20.418 -10.340 691 H SER 92 H SER 92 -7.932 -20.330 -8.228 692 HA SER 92 HA SER 92 -7.296 -21.974 -5.892 693 HB2 SER 92 1HB SER 92 -8.222 -19.531 -5.821 694 HB3 SER 92 2HB SER 92 -9.776 -20.301 -6.138 695 HG SER 92 HG SER 92 -8.921 -21.734 -4.260 696 H GLU 93 H GLU 93 -8.186 -23.906 -5.568 697 HA GLU 93 HA GLU 93 -10.807 -24.580 -6.509 698 HB2 GLU 93 1HB GLU 93 -9.376 -24.852 -8.559 699 HB3 GLU 93 2HB GLU 93 -8.492 -26.107 -7.704 700 HG2 GLU 93 1HG GLU 93 -10.041 -27.237 -9.042 701 HG3 GLU 93 2HG GLU 93 -10.713 -27.283 -7.413 702 H HIS 94 H HIS 94 -11.551 -25.534 -4.736 703 HA HIS 94 HA HIS 94 -9.782 -27.204 -3.123 704 HB2 HIS 94 1HB HIS 94 -11.458 -27.068 -1.404 705 HB3 HIS 94 2HB HIS 94 -11.215 -25.450 -2.056 706 HD1 HIS 94 1HD HIS 94 -13.297 -24.235 -2.590 707 HD2 HIS 94 2HD HIS 94 -13.847 -28.352 -2.679 708 HE1 HIS 94 1HE HIS 94 -15.748 -24.576 -3.036 709 HE2 HIS 94 2HE HIS 94 -16.073 -27.073 -3.001 710 H GLY 95 H GLY 95 -10.219 -29.356 -2.609 711 HA2 GLY 95 1HA GLY 95 -11.037 -31.483 -2.916 712 HA3 GLY 95 2HA GLY 95 -12.520 -30.752 -3.511 713 H GLY 96 H GLY 96 -9.479 -32.175 -4.361 714 HA2 GLY 96 1HA GLY 96 -9.893 -31.672 -7.208 715 HA3 GLY 96 2HA GLY 96 -8.488 -32.437 -6.481 716 H CYS 97 H CYS 97 -9.299 -34.551 -5.184 717 HA CYS 97 HA CYS 97 -9.860 -36.461 -7.113 718 HB2 CYS 97 1HB CYS 97 -10.137 -38.030 -5.304 719 HB3 CYS 97 2HB CYS 97 -8.855 -36.906 -4.872 720 HG CYS 97 HG CYS 97 -9.845 -36.429 -2.562 721 H SER 98 H SER 98 -11.723 -37.844 -7.388 722 HA SER 98 HA SER 98 -14.203 -36.307 -7.254 723 HB2 SER 98 1HB SER 98 -15.074 -38.058 -8.806 724 HB3 SER 98 2HB SER 98 -13.654 -37.220 -9.430 725 HG SER 98 HG SER 98 -12.432 -38.985 -9.065 726 H THR 99 H THR 99 -16.234 -37.575 -6.808 727 HA THR 99 HA THR 99 -16.147 -38.632 -4.206 728 HB THR 99 HB THR 99 -18.390 -39.103 -6.168 729 HG1 THR 99 1HG THR 99 -19.114 -37.058 -5.696 730 HG21 THR 99 1HG2 THR 99 -19.700 -39.564 -4.371 731 HG22 THR 99 2HG2 THR 99 -18.850 -38.427 -3.325 732 HG23 THR 99 3HG2 THR 99 -18.154 -40.013 -3.652 733 HA PRO 100 HA PRO 100 -14.875 -42.789 -5.126 734 HB2 PRO 100 1HB PRO 100 -15.197 -43.765 -2.613 735 HB3 PRO 100 2HB PRO 100 -13.828 -42.749 -3.081 736 HG2 PRO 100 1HG PRO 100 -16.351 -41.991 -1.658 737 HG3 PRO 100 2HG PRO 100 -14.682 -41.493 -1.320 738 HD2 PRO 100 1HD PRO 100 -16.432 -39.914 -2.653 739 HD3 PRO 100 2HD PRO 100 -14.688 -39.899 -2.985 740 H GLY 101 H GLY 101 -17.949 -41.691 -4.517 741 HA2 GLY 101 1HA GLY 101 -19.265 -44.192 -4.006 742 HA3 GLY 101 2HA GLY 101 -20.039 -42.674 -4.434 743 H SER 102 H SER 102 -21.455 -43.697 -5.873 744 HA SER 102 HA SER 102 -20.183 -44.707 -8.333 745 HB2 SER 102 1HB SER 102 -22.750 -45.519 -6.976 746 HB3 SER 102 2HB SER 102 -22.439 -45.886 -8.672 747 HG SER 102 HG SER 102 -21.763 -47.401 -6.786 748 H GLY 103 H GLY 103 -21.357 -44.282 -10.338 749 HA2 GLY 103 1HA GLY 103 -23.397 -42.241 -10.341 750 HA3 GLY 103 2HA GLY 103 -21.829 -41.668 -10.889 751 HA PRO 104 HA PRO 104 -24.330 -44.077 -14.216 752 HB2 PRO 104 1HB PRO 104 -25.696 -42.045 -15.389 753 HB3 PRO 104 2HB PRO 104 -26.365 -43.018 -14.074 754 HG2 PRO 104 1HG PRO 104 -25.095 -40.309 -13.969 755 HG3 PRO 104 2HG PRO 104 -26.550 -40.896 -13.142 756 HD2 PRO 104 1HD PRO 104 -24.150 -40.697 -11.904 757 HD3 PRO 104 2HD PRO 104 -25.337 -41.950 -11.490 758 H SER 105 H SER 105 -22.965 -44.426 -15.841 759 HA SER 105 HA SER 105 -22.117 -42.310 -17.580 760 HB2 SER 105 1HB SER 105 -19.696 -42.626 -17.255 761 HB3 SER 105 2HB SER 105 -20.467 -42.035 -15.784 762 HG SER 105 HG SER 105 -20.565 -44.356 -15.194 763 H SER 106 H SER 106 -20.519 -43.228 -19.264 764 HA SER 106 HA SER 106 -20.016 -44.768 -20.868 765 HB2 SER 106 1HB SER 106 -19.550 -46.196 -18.746 766 HB3 SER 106 2HB SER 106 -21.082 -46.979 -19.130 767 HG SER 106 HG SER 106 -19.618 -48.156 -20.217 768 H GLY 107 H GLY 107 -22.433 -43.423 -20.997 769 HA2 GLY 107 1HA GLY 107 -24.102 -45.443 -22.347 770 HA3 GLY 107 2HA GLY 107 -24.837 -44.278 -21.255 Start of MODEL 19 1 H1 GLY 1 H GLY 1 23.891 -7.355 15.571 2 HA2 GLY 1 1HA GLY 1 22.184 -8.146 13.641 3 HA3 GLY 1 2HA GLY 1 22.474 -6.468 13.206 4 H SER 2 H SER 2 23.465 -9.581 12.700 5 HA SER 2 HA SER 2 26.263 -9.344 12.515 6 HB2 SER 2 1HB SER 2 24.441 -11.146 10.900 7 HB3 SER 2 2HB SER 2 26.171 -11.371 11.157 8 HG SER 2 HG SER 2 25.748 -11.658 13.366 9 H SER 3 H SER 3 27.623 -8.855 10.820 10 HA SER 3 HA SER 3 26.574 -8.113 8.236 11 HB2 SER 3 1HB SER 3 27.567 -6.061 10.194 12 HB3 SER 3 2HB SER 3 27.748 -5.802 8.459 13 HG SER 3 HG SER 3 25.242 -6.595 9.375 14 H GLY 4 H GLY 4 28.103 -8.204 6.641 15 HA2 GLY 4 1HA GLY 4 30.916 -8.474 7.454 16 HA3 GLY 4 2HA GLY 4 30.177 -9.748 6.496 17 H SER 5 H SER 5 29.787 -6.233 6.234 18 HA SER 5 HA SER 5 31.133 -6.329 3.624 19 HB2 SER 5 1HB SER 5 28.501 -4.925 4.146 20 HB3 SER 5 2HB SER 5 29.382 -4.957 2.618 21 HG SER 5 HG SER 5 27.621 -6.723 3.550 22 H SER 6 H SER 6 31.870 -4.245 2.854 23 HA SER 6 HA SER 6 31.909 -2.047 4.749 24 HB2 SER 6 1HB SER 6 33.852 -3.695 5.250 25 HB3 SER 6 2HB SER 6 34.569 -3.056 3.771 26 HG SER 6 HG SER 6 34.812 -1.124 4.698 27 H GLY 7 H GLY 7 32.571 -0.060 3.830 28 HA2 GLY 7 1HA GLY 7 32.459 1.469 2.106 29 HA3 GLY 7 2HA GLY 7 33.727 0.464 1.420 30 H VAL 8 H VAL 8 30.262 1.046 1.508 31 HA VAL 8 HA VAL 8 29.940 0.488 -1.241 32 HB VAL 8 HB VAL 8 30.167 -1.837 -0.617 33 HG11 VAL 8 1HG1 VAL 8 28.402 -1.027 1.598 34 HG12 VAL 8 2HG1 VAL 8 28.077 -2.614 0.899 35 HG13 VAL 8 3HG1 VAL 8 29.676 -2.245 1.546 36 HG21 VAL 8 1HG2 VAL 8 27.529 -2.393 -1.021 37 HG22 VAL 8 2HG2 VAL 8 27.642 -0.736 -1.615 38 HG23 VAL 8 3HG2 VAL 8 28.682 -1.988 -2.293 39 H LYS 9 H LYS 9 28.068 1.348 -1.983 40 HA LYS 9 HA LYS 9 26.187 2.357 0.043 41 HB2 LYS 9 1HB LYS 9 26.851 3.379 -2.721 42 HB3 LYS 9 2HB LYS 9 25.535 4.008 -1.739 43 HG2 LYS 9 1HG LYS 9 27.348 4.426 0.039 44 HG3 LYS 9 2HG LYS 9 28.485 4.228 -1.297 45 HD2 LYS 9 1HD LYS 9 26.169 6.070 -1.645 46 HD3 LYS 9 2HD LYS 9 27.533 6.599 -0.658 47 HE2 LYS 9 1HE LYS 9 28.041 7.364 -2.809 48 HE3 LYS 9 2HE LYS 9 28.998 5.894 -2.632 49 HZ1 LYS 9 1HZ LYS 9 26.319 5.733 -3.831 50 HZ2 LYS 9 2HZ LYS 9 27.668 4.745 -4.085 51 HZ3 LYS 9 3HZ LYS 9 27.611 6.290 -4.771 52 HA PRO 10 HA PRO 10 23.035 -0.270 -1.552 53 HB2 PRO 10 1HB PRO 10 20.855 1.134 -0.746 54 HB3 PRO 10 2HB PRO 10 21.870 0.212 0.369 55 HG2 PRO 10 1HG PRO 10 21.874 3.149 -0.209 56 HG3 PRO 10 2HG PRO 10 21.995 2.316 1.352 57 HD2 PRO 10 1HD PRO 10 24.155 3.325 0.068 58 HD3 PRO 10 2HD PRO 10 24.240 1.871 1.082 59 HA PRO 11 HA PRO 11 21.774 1.284 -5.475 60 HB2 PRO 11 1HB PRO 11 19.585 -0.257 -5.925 61 HB3 PRO 11 2HB PRO 11 21.235 -0.884 -6.011 62 HG2 PRO 11 1HG PRO 11 19.247 -1.080 -3.781 63 HG3 PRO 11 2HG PRO 11 20.336 -2.325 -4.422 64 HD2 PRO 11 1HD PRO 11 20.875 -0.945 -2.155 65 HD3 PRO 11 2HD PRO 11 22.150 -1.521 -3.248 66 H HIS 12 H HIS 12 19.229 0.960 -3.022 67 HA HIS 12 HA HIS 12 18.309 3.623 -3.462 68 HB2 HIS 12 1HB HIS 12 15.929 2.826 -4.049 69 HB3 HIS 12 2HB HIS 12 17.129 2.853 -5.338 70 HD1 HIS 12 1HD HIS 12 15.252 0.466 -3.116 71 HD2 HIS 12 2HD HIS 12 17.715 0.394 -6.461 72 HE1 HIS 12 1HE HIS 12 15.126 -1.887 -3.993 73 HE2 HIS 12 2HE HIS 12 16.691 -1.929 -5.966 74 H GLY 13 H GLY 13 15.907 3.691 -2.328 75 HA2 GLY 13 1HA GLY 13 16.408 2.523 0.327 76 HA3 GLY 13 2HA GLY 13 15.448 3.962 0.014 77 H PHE 14 H PHE 14 15.440 0.586 -1.143 78 HA PHE 14 HA PHE 14 12.710 0.288 -0.159 79 HB2 PHE 14 1HB PHE 14 13.481 -0.200 -3.043 80 HB3 PHE 14 2HB PHE 14 11.929 -0.613 -2.323 81 HD1 PHE 14 1HD PHE 14 14.187 2.294 -2.878 82 HD2 PHE 14 2HD PHE 14 10.190 0.900 -2.433 83 HE1 PHE 14 1HE PHE 14 13.346 4.542 -3.420 84 HE2 PHE 14 2HE PHE 14 9.343 3.145 -2.975 85 HZ PHE 14 HZ PHE 14 10.921 4.969 -3.470 86 H GLN 15 H GLN 15 12.002 -1.924 -0.047 87 HA GLN 15 HA GLN 15 14.158 -3.908 -0.291 88 HB2 GLN 15 1HB GLN 15 12.276 -3.629 2.059 89 HB3 GLN 15 2HB GLN 15 13.452 -4.918 1.841 90 HG2 GLN 15 1HG GLN 15 15.121 -2.880 1.664 91 HG3 GLN 15 2HG GLN 15 13.860 -2.081 2.601 92 HE21 GLN 15 1HE2 GLN 15 15.664 -1.979 4.167 93 HE22 GLN 15 2HE2 GLN 15 15.878 -3.312 5.245 94 H LYS 16 H LYS 16 13.196 -6.196 0.040 95 HA LYS 16 HA LYS 16 10.888 -6.389 -1.742 96 HB2 LYS 16 1HB LYS 16 13.139 -8.190 -0.993 97 HB3 LYS 16 2HB LYS 16 11.624 -8.939 -1.478 98 HG2 LYS 16 1HG LYS 16 11.798 -8.225 -3.637 99 HG3 LYS 16 2HG LYS 16 12.743 -6.798 -3.206 100 HD2 LYS 16 1HD LYS 16 14.278 -8.188 -4.290 101 HD3 LYS 16 2HD LYS 16 14.596 -8.459 -2.575 102 HE2 LYS 16 1HE LYS 16 13.371 -10.515 -2.609 103 HE3 LYS 16 2HE LYS 16 12.800 -10.208 -4.248 104 HZ1 LYS 16 1HZ LYS 16 15.222 -10.239 -4.901 105 HZ2 LYS 16 2HZ LYS 16 14.555 -11.727 -4.453 106 HZ3 LYS 16 3HZ LYS 16 15.545 -10.883 -3.371 107 H LYS 17 H LYS 17 9.072 -7.669 -1.265 108 HA LYS 17 HA LYS 17 7.444 -8.605 0.025 109 HB2 LYS 17 1HB LYS 17 9.548 -8.987 2.156 110 HB3 LYS 17 2HB LYS 17 8.029 -9.856 1.988 111 HG2 LYS 17 1HG LYS 17 8.927 -10.693 -0.235 112 HG3 LYS 17 2HG LYS 17 10.493 -10.070 0.290 113 HD2 LYS 17 1HD LYS 17 10.422 -12.378 0.871 114 HD3 LYS 17 2HD LYS 17 10.238 -11.459 2.367 115 HE2 LYS 17 1HE LYS 17 7.935 -11.919 2.488 116 HE3 LYS 17 2HE LYS 17 7.870 -12.456 0.810 117 HZ1 LYS 17 1HZ LYS 17 7.852 -14.429 1.963 118 HZ2 LYS 17 2HZ LYS 17 8.899 -13.878 3.171 119 HZ3 LYS 17 3HZ LYS 17 9.504 -14.259 1.638 120 H MET 18 H MET 18 8.192 -5.750 0.138 121 HA MET 18 HA MET 18 7.102 -5.093 2.796 122 HB2 MET 18 1HB MET 18 8.321 -3.101 2.823 123 HB3 MET 18 2HB MET 18 9.448 -4.258 2.125 124 HG2 MET 18 1HG MET 18 9.127 -3.405 -0.051 125 HG3 MET 18 2HG MET 18 7.724 -2.463 0.449 126 HE1 MET 18 1HE MET 18 9.375 0.589 -0.147 127 HE2 MET 18 2HE MET 18 10.392 -0.541 -1.042 128 HE3 MET 18 3HE MET 18 8.652 -0.814 -0.936 129 H LYS 19 H LYS 19 6.170 -2.646 2.552 130 HA LYS 19 HA LYS 19 4.264 -2.738 0.305 131 HB2 LYS 19 1HB LYS 19 3.781 -1.933 3.176 132 HB3 LYS 19 2HB LYS 19 2.642 -1.615 1.874 133 HG2 LYS 19 1HG LYS 19 3.600 -4.352 2.685 134 HG3 LYS 19 2HG LYS 19 2.080 -3.616 3.199 135 HD2 LYS 19 1HD LYS 19 1.329 -3.499 0.892 136 HD3 LYS 19 2HD LYS 19 2.872 -4.152 0.336 137 HE2 LYS 19 1HE LYS 19 1.113 -5.639 2.264 138 HE3 LYS 19 2HE LYS 19 0.898 -5.766 0.519 139 HZ1 LYS 19 1HZ LYS 19 3.002 -6.837 2.210 140 HZ2 LYS 19 2HZ LYS 19 3.507 -6.214 0.721 141 HZ3 LYS 19 3HZ LYS 19 2.350 -7.448 0.773 142 H LEU 20 H LEU 20 3.588 -0.744 -0.566 143 HA LEU 20 HA LEU 20 4.577 1.751 0.398 144 HB2 LEU 20 1HB LEU 20 6.321 2.192 -0.977 145 HB3 LEU 20 2HB LEU 20 6.506 0.443 -0.865 146 HG LEU 20 HG LEU 20 4.953 0.555 -3.034 147 HD11 LEU 20 1HD1 LEU 20 4.634 2.701 -3.611 148 HD12 LEU 20 2HD1 LEU 20 6.261 2.572 -4.277 149 HD13 LEU 20 3HD1 LEU 20 6.017 3.268 -2.676 150 HD21 LEU 20 1HD2 LEU 20 6.765 -0.459 -3.809 151 HD22 LEU 20 2HD2 LEU 20 7.708 0.183 -2.464 152 HD23 LEU 20 3HD2 LEU 20 7.577 1.098 -3.967 153 H GLU 21 H GLU 21 3.506 3.463 -0.504 154 HA GLU 21 HA GLU 21 1.233 2.816 -2.161 155 HB2 GLU 21 1HB GLU 21 2.182 5.348 -0.830 156 HB3 GLU 21 2HB GLU 21 0.796 5.325 -1.911 157 HG2 GLU 21 1HG GLU 21 -0.186 3.547 -0.418 158 HG3 GLU 21 2HG GLU 21 1.109 3.913 0.720 159 H VAL 22 H VAL 22 1.309 2.785 -4.298 160 HA VAL 22 HA VAL 22 3.273 4.502 -5.670 161 HB VAL 22 HB VAL 22 2.009 1.968 -6.720 162 HG11 VAL 22 1HG1 VAL 22 2.840 3.841 -8.300 163 HG12 VAL 22 2HG1 VAL 22 4.451 3.305 -7.819 164 HG13 VAL 22 3HG1 VAL 22 3.343 2.179 -8.605 165 HG21 VAL 22 1HG2 VAL 22 4.135 0.888 -6.318 166 HG22 VAL 22 2HG2 VAL 22 4.808 2.386 -5.674 167 HG23 VAL 22 3HG2 VAL 22 3.516 1.556 -4.807 168 H VAL 23 H VAL 23 2.638 5.736 -7.413 169 HA VAL 23 HA VAL 23 -0.188 6.366 -7.528 170 HB VAL 23 HB VAL 23 2.159 7.606 -8.971 171 HG11 VAL 23 1HG1 VAL 23 0.766 9.138 -9.935 172 HG12 VAL 23 2HG1 VAL 23 -0.308 7.737 -9.914 173 HG13 VAL 23 3HG1 VAL 23 -0.458 8.984 -8.675 174 HG21 VAL 23 1HG2 VAL 23 2.545 8.734 -7.099 175 HG22 VAL 23 2HG2 VAL 23 0.893 9.352 -7.116 176 HG23 VAL 23 3HG2 VAL 23 1.258 7.836 -6.293 177 H ASP 24 H ASP 24 -1.569 5.692 -9.035 178 HA ASP 24 HA ASP 24 -0.810 3.777 -10.981 179 HB2 ASP 24 1HB ASP 24 -3.116 4.210 -9.797 180 HB3 ASP 24 2HB ASP 24 -3.394 5.279 -11.169 181 H LYS 25 H LYS 25 0.287 4.216 -12.768 182 HA LYS 25 HA LYS 25 0.856 6.635 -13.888 183 HB2 LYS 25 1HB LYS 25 0.377 4.375 -15.773 184 HB3 LYS 25 2HB LYS 25 1.735 5.489 -15.681 185 HG2 LYS 25 1HG LYS 25 1.193 3.096 -13.948 186 HG3 LYS 25 2HG LYS 25 2.541 3.356 -15.057 187 HD2 LYS 25 1HD LYS 25 2.085 5.219 -12.757 188 HD3 LYS 25 2HD LYS 25 2.910 3.679 -12.509 189 HE2 LYS 25 1HE LYS 25 4.331 4.470 -14.567 190 HE3 LYS 25 2HE LYS 25 3.765 6.067 -14.081 191 HZ1 LYS 25 1HZ LYS 25 5.706 5.857 -12.898 192 HZ2 LYS 25 2HZ LYS 25 5.510 4.199 -12.628 193 HZ3 LYS 25 3HZ LYS 25 4.580 5.313 -11.759 194 H ARG 26 H ARG 26 -1.760 4.471 -14.985 195 HA ARG 26 HA ARG 26 -2.851 6.281 -16.844 196 HB2 ARG 26 1HB ARG 26 -4.679 4.360 -15.514 197 HB3 ARG 26 2HB ARG 26 -4.440 4.688 -17.225 198 HG2 ARG 26 1HG ARG 26 -2.211 3.494 -16.988 199 HG3 ARG 26 2HG ARG 26 -2.799 2.946 -15.417 200 HD2 ARG 26 1HD ARG 26 -3.175 1.332 -17.287 201 HD3 ARG 26 2HD ARG 26 -4.636 1.803 -16.419 202 HE ARG 26 HE ARG 26 -3.930 2.487 -19.158 203 HH11 ARG 26 2HH1 ARG 26 -6.075 2.937 -16.453 204 HH12 ARG 26 1HH1 ARG 26 -7.358 3.596 -17.413 205 HH21 ARG 26 2HH2 ARG 26 -5.611 3.353 -20.432 206 HH22 ARG 26 1HH2 ARG 26 -7.094 3.831 -19.676 207 H ASN 27 H ASN 27 -3.257 5.916 -13.405 208 HA ASN 27 HA ASN 27 -5.052 8.245 -13.420 209 HB2 ASN 27 1HB ASN 27 -5.423 5.612 -12.056 210 HB3 ASN 27 2HB ASN 27 -5.994 7.067 -11.244 211 HD21 ASN 27 1HD2 ASN 27 -7.008 4.621 -13.046 212 HD22 ASN 27 2HD2 ASN 27 -8.297 5.370 -13.920 213 HA PRO 28 HA PRO 28 -1.451 9.265 -10.801 214 HB2 PRO 28 1HB PRO 28 -1.589 11.930 -11.298 215 HB3 PRO 28 2HB PRO 28 -0.784 10.791 -12.383 216 HG2 PRO 28 1HG PRO 28 -3.523 11.981 -12.581 217 HG3 PRO 28 2HG PRO 28 -2.314 11.740 -13.855 218 HD2 PRO 28 1HD PRO 28 -4.419 10.072 -13.510 219 HD3 PRO 28 2HD PRO 28 -2.845 9.512 -14.112 220 H MET 29 H MET 29 -4.752 10.329 -10.846 221 HA MET 29 HA MET 29 -4.531 11.698 -8.290 222 HB2 MET 29 1HB MET 29 -6.920 12.179 -8.582 223 HB3 MET 29 2HB MET 29 -5.990 12.657 -9.995 224 HG2 MET 29 1HG MET 29 -6.658 10.316 -10.898 225 HG3 MET 29 2HG MET 29 -7.922 10.410 -9.674 226 HE1 MET 29 1HE MET 29 -7.347 11.409 -13.533 227 HE2 MET 29 2HE MET 29 -7.282 13.149 -13.256 228 HE3 MET 29 3HE MET 29 -6.121 12.085 -12.460 229 H PHE 30 H PHE 30 -4.268 8.658 -8.858 230 HA PHE 30 HA PHE 30 -5.917 7.854 -6.567 231 HB2 PHE 30 1HB PHE 30 -5.871 6.636 -9.296 232 HB3 PHE 30 2HB PHE 30 -6.082 5.580 -7.903 233 HD1 PHE 30 1HD PHE 30 -7.918 6.384 -6.190 234 HD2 PHE 30 2HD PHE 30 -7.739 7.530 -10.285 235 HE1 PHE 30 1HE PHE 30 -10.317 6.926 -6.139 236 HE2 PHE 30 2HE PHE 30 -10.137 8.075 -10.241 237 HZ PHE 30 HZ PHE 30 -11.430 7.774 -8.166 238 H ILE 31 H ILE 31 -4.814 6.764 -5.070 239 HA ILE 31 HA ILE 31 -2.271 5.499 -5.849 240 HB ILE 31 HB ILE 31 -2.799 7.111 -3.350 241 HG12 ILE 31 1HG1 ILE 31 -0.638 7.606 -5.379 242 HG13 ILE 31 2HG1 ILE 31 -2.263 8.234 -5.632 243 HG21 ILE 31 1HG2 ILE 31 -0.668 6.516 -2.558 244 HG22 ILE 31 2HG2 ILE 31 -1.402 5.003 -3.087 245 HG23 ILE 31 3HG2 ILE 31 -0.202 5.803 -4.102 246 HD11 ILE 31 1HD1 ILE 31 -1.012 9.968 -4.647 247 HD12 ILE 31 2HD1 ILE 31 -2.055 9.331 -3.375 248 HD13 ILE 31 3HD1 ILE 31 -0.348 8.892 -3.419 249 H ARG 32 H ARG 32 -1.922 3.488 -5.095 250 HA ARG 32 HA ARG 32 -3.721 2.454 -3.009 251 HB2 ARG 32 1HB ARG 32 -2.928 1.014 -5.547 252 HB3 ARG 32 2HB ARG 32 -3.874 0.324 -4.236 253 HG2 ARG 32 1HG ARG 32 -5.758 1.470 -4.801 254 HG3 ARG 32 2HG ARG 32 -4.861 2.824 -5.490 255 HD2 ARG 32 1HD ARG 32 -4.139 1.062 -7.275 256 HD3 ARG 32 2HD ARG 32 -5.564 0.190 -6.713 257 HE ARG 32 HE ARG 32 -5.521 2.510 -8.366 258 HH11 ARG 32 2HH1 ARG 32 -7.350 0.868 -5.900 259 HH12 ARG 32 1HH1 ARG 32 -8.866 1.556 -6.383 260 HH21 ARG 32 2HH2 ARG 32 -7.510 3.423 -9.011 261 HH22 ARG 32 1HH2 ARG 32 -8.955 3.008 -8.153 262 H VAL 33 H VAL 33 -2.820 0.012 -2.572 263 HA VAL 33 HA VAL 33 -0.168 0.471 -1.495 264 HB VAL 33 HB VAL 33 -2.021 -1.899 -1.215 265 HG11 VAL 33 1HG1 VAL 33 0.377 -1.335 0.497 266 HG12 VAL 33 2HG1 VAL 33 -0.543 -2.832 0.336 267 HG13 VAL 33 3HG1 VAL 33 0.503 -2.293 -0.978 268 HG21 VAL 33 1HG2 VAL 33 -1.632 -0.617 1.241 269 HG22 VAL 33 2HG2 VAL 33 -1.917 0.672 0.072 270 HG23 VAL 33 3HG2 VAL 33 -3.096 -0.627 0.258 271 H ALA 34 H ALA 34 1.675 -0.670 -1.997 272 HA ALA 34 HA ALA 34 1.517 -2.555 -4.249 273 HB1 ALA 34 1HB ALA 34 2.300 -0.100 -4.762 274 HB2 ALA 34 2HB ALA 34 3.830 -0.686 -4.107 275 HB3 ALA 34 3HB ALA 34 3.106 -1.484 -5.503 276 H THR 35 H THR 35 3.016 -4.215 -4.244 277 HA THR 35 HA THR 35 4.635 -4.449 -1.791 278 HB THR 35 HB THR 35 3.395 -6.697 -3.390 279 HG1 THR 35 1HG THR 35 2.234 -6.867 -1.242 280 HG21 THR 35 1HG2 THR 35 5.568 -6.686 -1.582 281 HG22 THR 35 2HG2 THR 35 4.741 -8.080 -2.278 282 HG23 THR 35 3HG2 THR 35 4.199 -7.410 -0.739 283 H VAL 36 H VAL 36 6.724 -4.208 -2.217 284 HA VAL 36 HA VAL 36 7.894 -4.341 -4.759 285 HB VAL 36 HB VAL 36 9.350 -4.743 -2.146 286 HG11 VAL 36 1HG1 VAL 36 11.082 -4.933 -3.548 287 HG12 VAL 36 2HG1 VAL 36 10.151 -4.332 -4.921 288 HG13 VAL 36 3HG1 VAL 36 10.902 -3.197 -3.798 289 HG21 VAL 36 1HG2 VAL 36 7.962 -2.793 -1.907 290 HG22 VAL 36 2HG2 VAL 36 9.630 -2.274 -2.151 291 HG23 VAL 36 3HG2 VAL 36 8.475 -2.183 -3.480 292 H ALA 37 H ALA 37 7.729 -6.175 -5.924 293 HA ALA 37 HA ALA 37 8.041 -8.780 -4.743 294 HB1 ALA 37 1HB ALA 37 8.196 -9.044 -7.520 295 HB2 ALA 37 2HB ALA 37 6.776 -9.277 -6.500 296 HB3 ALA 37 3HB ALA 37 7.085 -7.704 -7.235 297 H ASP 38 H ASP 38 9.916 -6.792 -7.020 298 HA ASP 38 HA ASP 38 12.321 -8.259 -6.206 299 HB2 ASP 38 1HB ASP 38 11.250 -8.970 -8.504 300 HB3 ASP 38 2HB ASP 38 12.014 -7.491 -9.082 301 H THR 39 H THR 39 14.133 -7.032 -6.007 302 HA THR 39 HA THR 39 13.816 -4.152 -6.534 303 HB THR 39 HB THR 39 15.824 -4.050 -4.855 304 HG1 THR 39 1HG THR 39 16.096 -6.326 -4.705 305 HG21 THR 39 1HG2 THR 39 13.155 -4.796 -3.690 306 HG22 THR 39 2HG2 THR 39 13.397 -3.284 -4.563 307 HG23 THR 39 3HG2 THR 39 14.324 -3.615 -3.100 308 H ASP 40 H ASP 40 14.795 -3.600 -8.371 309 HA ASP 40 HA ASP 40 17.033 -5.050 -9.427 310 HB2 ASP 40 1HB ASP 40 15.139 -3.720 -10.674 311 HB3 ASP 40 2HB ASP 40 16.227 -2.353 -10.449 312 H ASP 41 H ASP 41 18.786 -3.325 -10.428 313 HA ASP 41 HA ASP 41 20.347 -2.586 -8.163 314 HB2 ASP 41 1HB ASP 41 20.696 -2.264 -11.134 315 HB3 ASP 41 2HB ASP 41 21.836 -1.546 -10.000 316 H HIS 42 H HIS 42 18.380 -0.821 -10.486 317 HA HIS 42 HA HIS 42 18.618 1.556 -8.778 318 HB2 HIS 42 1HB HIS 42 18.336 2.772 -11.142 319 HB3 HIS 42 2HB HIS 42 19.915 2.388 -10.464 320 HD1 HIS 42 1HD HIS 42 21.079 2.124 -12.716 321 HD2 HIS 42 2HD HIS 42 17.783 -0.365 -12.259 322 HE1 HIS 42 1HE HIS 42 21.190 0.502 -14.634 323 HE2 HIS 42 2HE HIS 42 19.139 -0.940 -14.385 324 H ARG 43 H ARG 43 16.615 -0.711 -9.600 325 HA ARG 43 HA ARG 43 14.294 1.050 -9.547 326 HB2 ARG 43 1HB ARG 43 14.463 -1.199 -11.552 327 HB3 ARG 43 2HB ARG 43 13.187 0.000 -11.392 328 HG2 ARG 43 1HG ARG 43 15.178 1.670 -11.852 329 HG3 ARG 43 2HG ARG 43 15.880 0.242 -12.614 330 HD2 ARG 43 1HD ARG 43 13.465 0.097 -13.698 331 HD3 ARG 43 2HD ARG 43 13.490 1.831 -13.379 332 HE ARG 43 HE ARG 43 15.067 2.089 -15.031 333 HH11 ARG 43 2HH1 ARG 43 14.694 -1.290 -14.282 334 HH12 ARG 43 1HH1 ARG 43 15.637 -1.827 -15.633 335 HH21 ARG 43 2HH2 ARG 43 16.310 1.395 -16.812 336 HH22 ARG 43 1HH2 ARG 43 16.557 -0.299 -17.071 337 H VAL 44 H VAL 44 12.234 -0.344 -9.325 338 HA VAL 44 HA VAL 44 12.673 -2.887 -7.987 339 HB VAL 44 HB VAL 44 11.409 -2.226 -5.975 340 HG11 VAL 44 1HG1 VAL 44 13.752 -0.371 -6.249 341 HG12 VAL 44 2HG1 VAL 44 13.222 -1.285 -4.836 342 HG13 VAL 44 3HG1 VAL 44 13.960 -2.121 -6.202 343 HG21 VAL 44 1HG2 VAL 44 11.509 0.478 -7.277 344 HG22 VAL 44 2HG2 VAL 44 10.109 -0.394 -6.654 345 HG23 VAL 44 3HG2 VAL 44 11.291 0.288 -5.537 346 H LYS 45 H LYS 45 11.214 -4.213 -8.819 347 HA LYS 45 HA LYS 45 8.966 -3.371 -10.292 348 HB2 LYS 45 1HB LYS 45 10.206 -5.582 -10.478 349 HB3 LYS 45 2HB LYS 45 9.320 -6.097 -9.048 350 HG2 LYS 45 1HG LYS 45 7.272 -6.081 -10.165 351 HG3 LYS 45 2HG LYS 45 7.896 -5.084 -11.482 352 HD2 LYS 45 1HD LYS 45 9.522 -7.162 -11.774 353 HD3 LYS 45 2HD LYS 45 8.176 -8.004 -11.001 354 HE2 LYS 45 1HE LYS 45 6.658 -7.158 -12.718 355 HE3 LYS 45 2HE LYS 45 7.992 -6.293 -13.481 356 HZ1 LYS 45 1HZ LYS 45 7.421 -9.168 -13.442 357 HZ2 LYS 45 2HZ LYS 45 9.037 -8.673 -13.518 358 HZ3 LYS 45 3HZ LYS 45 7.947 -8.191 -14.719 359 H VAL 46 H VAL 46 7.192 -2.461 -9.509 360 HA VAL 46 HA VAL 46 6.317 -3.120 -6.788 361 HB VAL 46 HB VAL 46 4.790 -1.136 -7.085 362 HG11 VAL 46 1HG1 VAL 46 7.018 0.423 -7.276 363 HG12 VAL 46 2HG1 VAL 46 6.481 -0.399 -5.810 364 HG13 VAL 46 3HG1 VAL 46 7.708 -1.140 -6.839 365 HG21 VAL 46 1HG2 VAL 46 5.641 -1.365 -9.756 366 HG22 VAL 46 2HG2 VAL 46 4.580 -0.140 -9.060 367 HG23 VAL 46 3HG2 VAL 46 6.319 0.143 -9.141 368 H HIS 47 H HIS 47 4.729 -4.532 -6.533 369 HA HIS 47 HA HIS 47 2.878 -5.004 -8.768 370 HB2 HIS 47 1HB HIS 47 4.014 -7.016 -8.178 371 HB3 HIS 47 2HB HIS 47 3.733 -6.751 -6.460 372 HD1 HIS 47 1HD HIS 47 2.161 -8.132 -9.520 373 HD2 HIS 47 2HD HIS 47 1.102 -7.352 -5.580 374 HE1 HIS 47 1HE HIS 47 0.004 -9.370 -9.147 375 HE2 HIS 47 2HE HIS 47 -0.662 -8.813 -6.782 376 H PHE 48 H PHE 48 0.690 -4.867 -8.499 377 HA PHE 48 HA PHE 48 -0.208 -3.516 -6.068 378 HB2 PHE 48 1HB PHE 48 -1.354 -3.805 -8.834 379 HB3 PHE 48 2HB PHE 48 -2.351 -3.251 -7.492 380 HD1 PHE 48 1HD PHE 48 1.165 -2.528 -8.510 381 HD2 PHE 48 2HD PHE 48 -2.719 -0.995 -7.682 382 HE1 PHE 48 1HE PHE 48 2.002 -0.238 -8.840 383 HE2 PHE 48 2HE PHE 48 -1.889 1.297 -8.012 384 HZ PHE 48 HZ PHE 48 0.474 1.678 -8.593 385 H ASP 49 H ASP 49 -0.737 -4.916 -4.504 386 HA ASP 49 HA ASP 49 -1.460 -7.530 -4.636 387 HB2 ASP 49 1HB ASP 49 -1.076 -6.411 -2.514 388 HB3 ASP 49 2HB ASP 49 -2.534 -5.446 -2.724 389 H GLY 50 H GLY 50 -3.082 -8.656 -5.483 390 HA2 GLY 50 1HA GLY 50 -5.370 -9.148 -5.846 391 HA3 GLY 50 2HA GLY 50 -5.741 -7.440 -5.664 392 H TRP 51 H TRP 51 -3.840 -6.400 -7.468 393 HA TRP 51 HA TRP 51 -5.265 -6.615 -9.889 394 HB2 TRP 51 1HB TRP 51 -2.527 -5.475 -9.301 395 HB3 TRP 51 2HB TRP 51 -3.353 -5.304 -10.847 396 HD1 TRP 51 HD TRP 51 -4.342 -4.600 -7.146 397 HE1 TRP 51 1HE TRP 51 -5.523 -2.314 -7.074 398 HE3 TRP 51 3HE TRP 51 -4.133 -3.423 -12.117 399 HZ2 TRP 51 2HZ TRP 51 -6.267 -0.281 -8.886 400 HZ3 TRP 51 3HZ TRP 51 -5.103 -1.289 -12.865 401 HH2 TRP 51 HH TRP 51 -6.147 0.248 -11.282 402 H ASN 52 H ASN 52 -4.903 -7.745 -11.744 403 HA ASN 52 HA ASN 52 -3.875 -10.251 -11.751 404 HB2 ASN 52 1HB ASN 52 -4.184 -8.234 -13.948 405 HB3 ASN 52 2HB ASN 52 -3.441 -9.793 -14.294 406 HD21 ASN 52 1HD2 ASN 52 -5.997 -8.579 -15.158 407 HD22 ASN 52 2HD2 ASN 52 -7.212 -9.731 -14.735 408 H ASN 53 H ASN 53 -1.951 -11.163 -12.848 409 HA ASN 53 HA ASN 53 0.433 -9.849 -11.871 410 HB2 ASN 53 1HB ASN 53 -0.184 -12.407 -11.830 411 HB3 ASN 53 2HB ASN 53 0.503 -12.391 -13.451 412 HD21 ASN 53 1HD2 ASN 53 2.207 -13.711 -12.837 413 HD22 ASN 53 2HD2 ASN 53 3.515 -13.134 -11.867 414 H CYS 54 H CYS 54 -0.747 -8.382 -13.909 415 HA CYS 54 HA CYS 54 1.248 -8.674 -16.054 416 HB2 CYS 54 1HB CYS 54 -1.678 -7.974 -16.304 417 HB3 CYS 54 2HB CYS 54 -0.512 -7.687 -17.590 418 HG CYS 54 HG CYS 54 -1.774 -10.624 -16.469 419 H TYR 55 H TYR 55 -0.948 -6.445 -14.382 420 HA TYR 55 HA TYR 55 -0.103 -4.038 -15.406 421 HB2 TYR 55 1HB TYR 55 -0.905 -4.684 -12.563 422 HB3 TYR 55 2HB TYR 55 -0.764 -3.053 -13.208 423 HD1 TYR 55 1HD TYR 55 -2.311 -2.321 -15.036 424 HD2 TYR 55 2HD TYR 55 -2.839 -5.998 -12.960 425 HE1 TYR 55 1HE TYR 55 -4.635 -2.430 -15.832 426 HE2 TYR 55 2HE TYR 55 -5.164 -6.117 -13.751 427 HH TYR 55 HH TYR 55 -6.486 -3.669 -15.949 428 H ASP 56 H ASP 56 1.381 -5.955 -12.835 429 HA ASP 56 HA ASP 56 3.219 -4.393 -11.699 430 HB2 ASP 56 1HB ASP 56 4.869 -6.442 -12.155 431 HB3 ASP 56 2HB ASP 56 3.518 -6.559 -11.031 432 H TYR 57 H TYR 57 4.875 -3.118 -12.242 433 HA TYR 57 HA TYR 57 6.229 -3.501 -14.800 434 HB2 TYR 57 1HB TYR 57 6.054 -0.953 -15.142 435 HB3 TYR 57 2HB TYR 57 4.644 -1.934 -15.528 436 HD1 TYR 57 2HD TYR 57 6.093 -0.089 -12.614 437 HD2 TYR 57 1HD TYR 57 2.596 -1.196 -14.770 438 HE1 TYR 57 2HE TYR 57 4.730 1.285 -11.097 439 HE2 TYR 57 1HE TYR 57 1.223 0.176 -13.259 440 HH TYR 57 HH TYR 57 2.594 1.703 -10.409 441 H TRP 58 H TRP 58 8.259 -2.375 -14.951 442 HA TRP 58 HA TRP 58 9.605 -2.249 -12.405 443 HB2 TRP 58 1HB TRP 58 10.447 -2.149 -15.273 444 HB3 TRP 58 2HB TRP 58 11.556 -1.551 -14.042 445 HD1 TRP 58 HD TRP 58 10.578 -4.663 -15.753 446 HE1 TRP 58 1HE TRP 58 11.590 -6.710 -14.567 447 HE3 TRP 58 3HE TRP 58 12.072 -2.427 -11.405 448 HZ2 TRP 58 2HZ TRP 58 12.855 -7.300 -12.113 449 HZ3 TRP 58 3HZ TRP 58 13.175 -3.803 -9.689 450 HH2 TRP 58 HH TRP 58 13.557 -6.189 -10.038 451 H ILE 59 H ILE 59 9.245 -0.475 -11.216 452 HA ILE 59 HA ILE 59 9.315 2.147 -12.545 453 HB ILE 59 HB ILE 59 7.306 1.521 -11.138 454 HG12 ILE 59 1HG1 ILE 59 8.829 3.953 -10.184 455 HG13 ILE 59 2HG1 ILE 59 7.995 3.864 -11.731 456 HG21 ILE 59 1HG2 ILE 59 8.298 0.377 -9.317 457 HG22 ILE 59 2HG2 ILE 59 9.373 1.728 -8.963 458 HG23 ILE 59 3HG2 ILE 59 7.642 1.878 -8.664 459 HD11 ILE 59 1HD1 ILE 59 6.311 3.126 -9.476 460 HD12 ILE 59 2HD1 ILE 59 6.928 4.777 -9.390 461 HD13 ILE 59 3HD1 ILE 59 6.012 4.250 -10.802 462 H ASP 60 H ASP 60 10.675 3.768 -11.839 463 HA ASP 60 HA ASP 60 13.157 2.968 -10.741 464 HB2 ASP 60 1HB ASP 60 11.980 5.707 -11.240 465 HB3 ASP 60 2HB ASP 60 13.638 5.439 -10.707 466 H ALA 61 H ALA 61 13.754 2.731 -8.696 467 HA ALA 61 HA ALA 61 12.027 3.032 -6.525 468 HB1 ALA 61 1HB ALA 61 14.686 3.204 -5.566 469 HB2 ALA 61 2HB ALA 61 13.616 1.802 -5.589 470 HB3 ALA 61 3HB ALA 61 14.684 2.118 -6.956 471 H ASP 62 H ASP 62 14.226 5.286 -8.016 472 HA ASP 62 HA ASP 62 13.911 7.203 -5.837 473 HB2 ASP 62 1HB ASP 62 15.523 7.383 -8.392 474 HB3 ASP 62 2HB ASP 62 15.537 8.569 -7.089 475 H SER 63 H SER 63 11.821 6.317 -7.920 476 HA SER 63 HA SER 63 11.258 8.639 -9.479 477 HB2 SER 63 1HB SER 63 10.505 6.286 -10.016 478 HB3 SER 63 2HB SER 63 9.314 6.450 -8.726 479 HG SER 63 HG SER 63 8.126 7.329 -10.214 480 HA PRO 64 HA PRO 64 9.258 11.144 -6.460 481 HB2 PRO 64 1HB PRO 64 7.785 12.705 -8.123 482 HB3 PRO 64 2HB PRO 64 9.535 12.879 -7.942 483 HG2 PRO 64 1HG PRO 64 7.982 11.472 -10.080 484 HG3 PRO 64 2HG PRO 64 9.397 12.529 -10.237 485 HD2 PRO 64 1HD PRO 64 9.579 9.829 -10.329 486 HD3 PRO 64 2HD PRO 64 10.871 10.851 -9.667 487 H ASP 65 H ASP 65 7.408 9.389 -8.867 488 HA ASP 65 HA ASP 65 4.843 9.859 -7.745 489 HB2 ASP 65 1HB ASP 65 5.503 7.382 -9.305 490 HB3 ASP 65 2HB ASP 65 4.029 8.346 -9.323 491 H ILE 66 H ILE 66 7.350 7.483 -7.171 492 HA ILE 66 HA ILE 66 5.829 5.625 -5.702 493 HB ILE 66 HB ILE 66 8.772 6.276 -5.615 494 HG12 ILE 66 1HG1 ILE 66 7.260 3.936 -6.796 495 HG13 ILE 66 2HG1 ILE 66 7.882 5.303 -7.714 496 HG21 ILE 66 1HG2 ILE 66 8.948 5.091 -3.747 497 HG22 ILE 66 2HG2 ILE 66 7.218 4.753 -3.755 498 HG23 ILE 66 3HG2 ILE 66 8.328 3.687 -4.616 499 HD11 ILE 66 1HD1 ILE 66 10.167 4.648 -6.780 500 HD12 ILE 66 2HD1 ILE 66 9.399 3.123 -6.338 501 HD13 ILE 66 3HD1 ILE 66 9.457 3.624 -8.028 502 H HIS 67 H HIS 67 4.965 5.732 -3.740 503 HA HIS 67 HA HIS 67 6.064 7.664 -1.811 504 HB2 HIS 67 1HB HIS 67 3.126 7.086 -2.247 505 HB3 HIS 67 2HB HIS 67 3.801 8.198 -1.059 506 HD1 HIS 67 1HD HIS 67 5.344 10.184 -2.285 507 HD2 HIS 67 2HD HIS 67 2.361 8.336 -4.511 508 HE1 HIS 67 1HE HIS 67 4.865 11.747 -4.196 509 HE2 HIS 67 2HE HIS 67 2.998 10.648 -5.481 510 HA PRO 68 HA PRO 68 6.239 4.239 0.947 511 HB2 PRO 68 1HB PRO 68 6.272 5.585 3.304 512 HB3 PRO 68 2HB PRO 68 7.662 5.525 2.213 513 HG2 PRO 68 1HG PRO 68 5.616 7.683 2.557 514 HG3 PRO 68 2HG PRO 68 7.374 7.826 2.376 515 HD2 PRO 68 1HD PRO 68 5.659 8.248 0.323 516 HD3 PRO 68 2HD PRO 68 7.285 7.576 0.086 517 H VAL 69 H VAL 69 4.968 3.035 2.376 518 HA VAL 69 HA VAL 69 2.258 3.043 2.108 519 HB VAL 69 HB VAL 69 3.971 2.062 4.374 520 HG11 VAL 69 1HG1 VAL 69 1.693 0.757 4.853 521 HG12 VAL 69 2HG1 VAL 69 2.106 2.276 5.649 522 HG13 VAL 69 3HG1 VAL 69 1.020 2.274 4.258 523 HG21 VAL 69 1HG2 VAL 69 4.246 0.380 2.943 524 HG22 VAL 69 2HG2 VAL 69 2.544 -0.015 3.182 525 HG23 VAL 69 3HG2 VAL 69 3.027 1.032 1.848 526 H GLY 70 H GLY 70 4.169 5.045 4.224 527 HA2 GLY 70 1HA GLY 70 1.764 6.028 5.585 528 HA3 GLY 70 2HA GLY 70 3.424 6.358 6.058 529 H TRP 71 H TRP 71 1.877 6.711 2.886 530 HA TRP 71 HA TRP 71 2.827 9.473 2.804 531 HB2 TRP 71 1HB TRP 71 3.378 8.069 0.889 532 HB3 TRP 71 2HB TRP 71 1.674 7.701 0.639 533 HD1 TRP 71 HD TRP 71 4.257 10.454 0.089 534 HE1 TRP 71 1HE TRP 71 3.260 12.223 -1.493 535 HE3 TRP 71 3HE TRP 71 -0.557 8.745 -0.109 536 HZ2 TRP 71 2HZ TRP 71 0.763 12.816 -2.668 537 HZ3 TRP 71 3HZ TRP 71 -2.188 9.971 -1.484 538 HH2 TRP 71 HH TRP 71 -1.540 11.964 -2.736 539 H CYS 72 H CYS 72 -0.167 7.674 2.080 540 HA CYS 72 HA CYS 72 -1.925 9.635 1.526 541 HB2 CYS 72 1HB CYS 72 -3.679 8.289 2.633 542 HB3 CYS 72 2HB CYS 72 -2.595 7.300 1.662 543 HG CYS 72 HG CYS 72 -2.464 7.590 5.070 544 H SER 73 H SER 73 -0.660 8.878 4.727 545 HA SER 73 HA SER 73 -2.322 10.786 6.077 546 HB2 SER 73 1HB SER 73 -1.396 8.755 7.188 547 HB3 SER 73 2HB SER 73 0.215 9.460 7.062 548 HG SER 73 HG SER 73 -0.244 10.826 8.623 549 H LYS 74 H LYS 74 1.212 10.644 5.594 550 HA LYS 74 HA LYS 74 2.017 13.045 6.486 551 HB2 LYS 74 1HB LYS 74 2.862 11.399 4.157 552 HB3 LYS 74 2HB LYS 74 3.503 13.033 4.264 553 HG2 LYS 74 1HG LYS 74 4.325 12.515 6.540 554 HG3 LYS 74 2HG LYS 74 3.774 10.852 6.322 555 HD2 LYS 74 1HD LYS 74 6.096 10.883 5.813 556 HD3 LYS 74 2HD LYS 74 5.237 10.749 4.277 557 HE2 LYS 74 1HE LYS 74 5.776 12.887 3.635 558 HE3 LYS 74 2HE LYS 74 5.939 13.459 5.294 559 HZ1 LYS 74 1HZ LYS 74 7.849 11.627 3.949 560 HZ2 LYS 74 2HZ LYS 74 8.021 12.307 5.488 561 HZ3 LYS 74 3HZ LYS 74 8.074 13.295 4.116 562 H THR 75 H THR 75 0.631 12.518 3.252 563 HA THR 75 HA THR 75 0.503 15.381 2.779 564 HB THR 75 HB THR 75 -0.559 14.672 0.591 565 HG1 THR 75 1HG THR 75 -1.307 12.643 0.970 566 HG21 THR 75 1HG2 THR 75 1.629 13.601 -0.242 567 HG22 THR 75 2HG2 THR 75 2.197 13.811 1.415 568 HG23 THR 75 3HG2 THR 75 1.713 15.215 0.464 569 H GLY 76 H GLY 76 -1.769 12.656 3.076 570 HA2 GLY 76 1HA GLY 76 -3.807 12.897 4.329 571 HA3 GLY 76 2HA GLY 76 -3.828 14.598 3.889 572 H HIS 77 H HIS 77 -3.196 11.959 1.655 573 HA HIS 77 HA HIS 77 -5.592 12.751 0.159 574 HB2 HIS 77 1HB HIS 77 -2.951 11.600 -0.594 575 HB3 HIS 77 2HB HIS 77 -4.341 11.164 -1.583 576 HD1 HIS 77 1HD HIS 77 -3.098 14.464 -0.127 577 HD2 HIS 77 2HD HIS 77 -4.444 12.824 -3.699 578 HE1 HIS 77 1HE HIS 77 -3.063 16.351 -1.789 579 HE2 HIS 77 2HE HIS 77 -3.962 15.355 -3.920 580 HA PRO 78 HA PRO 78 -7.701 9.005 1.061 581 HB2 PRO 78 1HB PRO 78 -9.184 8.723 -1.195 582 HB3 PRO 78 2HB PRO 78 -9.530 9.944 0.035 583 HG2 PRO 78 1HG PRO 78 -8.083 10.236 -2.570 584 HG3 PRO 78 2HG PRO 78 -9.289 11.308 -1.833 585 HD2 PRO 78 1HD PRO 78 -6.631 11.814 -1.726 586 HD3 PRO 78 2HD PRO 78 -7.746 12.285 -0.427 587 H LEU 79 H LEU 79 -7.227 6.894 0.928 588 HA LEU 79 HA LEU 79 -5.636 5.982 -1.372 589 HB2 LEU 79 1HB LEU 79 -4.629 5.886 0.925 590 HB3 LEU 79 2HB LEU 79 -5.856 4.690 1.340 591 HG LEU 79 HG LEU 79 -4.930 3.254 -0.508 592 HD11 LEU 79 1HD1 LEU 79 -2.453 4.910 -0.368 593 HD12 LEU 79 2HD1 LEU 79 -3.733 5.350 -1.498 594 HD13 LEU 79 3HD1 LEU 79 -2.973 3.762 -1.602 595 HD21 LEU 79 1HD2 LEU 79 -3.402 2.266 0.901 596 HD22 LEU 79 2HD2 LEU 79 -4.341 3.236 2.036 597 HD23 LEU 79 3HD2 LEU 79 -2.769 3.809 1.475 598 H GLN 80 H GLN 80 -6.231 4.204 -2.531 599 HA GLN 80 HA GLN 80 -8.933 3.189 -2.021 600 HB2 GLN 80 1HB GLN 80 -7.206 3.068 -4.497 601 HB3 GLN 80 2HB GLN 80 -8.811 2.362 -4.366 602 HG2 GLN 80 1HG GLN 80 -8.300 5.280 -3.894 603 HG3 GLN 80 2HG GLN 80 -8.627 4.622 -5.496 604 HE21 GLN 80 1HE2 GLN 80 -10.609 3.096 -5.476 605 HE22 GLN 80 2HE2 GLN 80 -12.008 3.724 -4.679 606 HA PRO 81 HA PRO 81 -7.180 -0.612 -0.564 607 HB2 PRO 81 1HB PRO 81 -9.502 -2.014 -0.460 608 HB3 PRO 81 2HB PRO 81 -9.063 -0.792 0.739 609 HG2 PRO 81 1HG PRO 81 -10.882 -0.557 -1.627 610 HG3 PRO 81 2HG PRO 81 -11.105 0.059 0.020 611 HD2 PRO 81 1HD PRO 81 -10.282 1.632 -2.024 612 HD3 PRO 81 2HD PRO 81 -9.758 1.893 -0.348 613 HA PRO 82 HA PRO 82 -6.586 -3.061 -4.180 614 HB2 PRO 82 1HB PRO 82 -5.927 -5.429 -3.027 615 HB3 PRO 82 2HB PRO 82 -4.835 -4.039 -3.058 616 HG2 PRO 82 1HG PRO 82 -6.615 -5.001 -0.852 617 HG3 PRO 82 2HG PRO 82 -4.942 -4.420 -0.767 618 HD2 PRO 82 1HD PRO 82 -7.060 -2.865 -0.114 619 HD3 PRO 82 2HD PRO 82 -5.576 -2.205 -0.831 620 H LEU 83 H LEU 83 -7.183 -5.364 -5.000 621 HA LEU 83 HA LEU 83 -9.977 -5.531 -5.172 622 HB2 LEU 83 1HB LEU 83 -7.690 -7.212 -6.027 623 HB3 LEU 83 2HB LEU 83 -9.281 -7.969 -5.992 624 HG LEU 83 HG LEU 83 -8.682 -7.133 -8.223 625 HD11 LEU 83 1HD1 LEU 83 -10.928 -5.521 -7.028 626 HD12 LEU 83 2HD1 LEU 83 -11.044 -7.237 -7.419 627 HD13 LEU 83 3HD1 LEU 83 -10.757 -6.059 -8.700 628 HD21 LEU 83 1HD2 LEU 83 -9.086 -4.320 -7.612 629 HD22 LEU 83 2HD2 LEU 83 -7.857 -5.098 -8.609 630 HD23 LEU 83 3HD2 LEU 83 -7.630 -4.976 -6.864 631 H SER 84 H SER 84 -11.335 -7.382 -4.569 632 HA SER 84 HA SER 84 -11.536 -7.802 -1.883 633 HB2 SER 84 1HB SER 84 -12.389 -9.576 -4.172 634 HB3 SER 84 2HB SER 84 -12.812 -9.925 -2.496 635 HG SER 84 HG SER 84 -14.329 -8.495 -2.655 636 HA PRO 85 HA PRO 85 -8.423 -10.605 -0.574 637 HB2 PRO 85 1HB PRO 85 -9.735 -12.005 1.346 638 HB3 PRO 85 2HB PRO 85 -9.231 -10.324 1.558 639 HG2 PRO 85 1HG PRO 85 -11.920 -11.417 0.824 640 HG3 PRO 85 2HG PRO 85 -11.512 -10.117 1.959 641 HD2 PRO 85 1HD PRO 85 -12.405 -9.633 -0.551 642 HD3 PRO 85 2HD PRO 85 -11.262 -8.558 0.280 643 H LEU 86 H LEU 86 -11.108 -11.626 -2.278 644 HA LEU 86 HA LEU 86 -10.215 -14.431 -2.287 645 HB2 LEU 86 1HB LEU 86 -12.787 -13.621 -3.529 646 HB3 LEU 86 2HB LEU 86 -12.353 -15.117 -2.704 647 HG LEU 86 HG LEU 86 -12.317 -13.493 -0.599 648 HD11 LEU 86 1HD1 LEU 86 -13.603 -11.949 -2.698 649 HD12 LEU 86 2HD1 LEU 86 -13.023 -11.444 -1.111 650 HD13 LEU 86 3HD1 LEU 86 -14.627 -12.157 -1.277 651 HD21 LEU 86 1HD2 LEU 86 -13.687 -15.309 -0.384 652 HD22 LEU 86 2HD2 LEU 86 -14.508 -15.014 -1.917 653 HD23 LEU 86 3HD2 LEU 86 -14.896 -14.031 -0.504 654 H GLU 87 H GLU 87 -10.779 -11.601 -4.238 655 HA GLU 87 HA GLU 87 -10.755 -12.708 -6.791 656 HB2 GLU 87 1HB GLU 87 -9.920 -10.048 -5.689 657 HB3 GLU 87 2HB GLU 87 -9.629 -10.424 -7.381 658 HG2 GLU 87 1HG GLU 87 -12.353 -10.839 -6.257 659 HG3 GLU 87 2HG GLU 87 -11.813 -9.203 -6.628 660 H LEU 88 H LEU 88 -8.123 -12.034 -4.579 661 HA LEU 88 HA LEU 88 -6.126 -12.735 -6.583 662 HB2 LEU 88 1HB LEU 88 -4.508 -11.949 -5.090 663 HB3 LEU 88 2HB LEU 88 -5.868 -10.842 -4.914 664 HG LEU 88 HG LEU 88 -5.396 -13.130 -3.018 665 HD11 LEU 88 1HD1 LEU 88 -3.464 -12.005 -2.582 666 HD12 LEU 88 2HD1 LEU 88 -4.572 -11.079 -1.570 667 HD13 LEU 88 3HD1 LEU 88 -4.099 -10.462 -3.153 668 HD21 LEU 88 1HD2 LEU 88 -6.672 -11.453 -1.536 669 HD22 LEU 88 2HD2 LEU 88 -7.573 -12.356 -2.753 670 HD23 LEU 88 3HD2 LEU 88 -7.119 -10.679 -3.057 671 H MET 89 H MET 89 -8.140 -14.625 -5.273 672 HA MET 89 HA MET 89 -6.947 -16.402 -3.533 673 HB2 MET 89 1HB MET 89 -9.069 -16.621 -5.605 674 HB3 MET 89 2HB MET 89 -8.402 -18.122 -4.974 675 HG2 MET 89 1HG MET 89 -9.276 -16.023 -3.057 676 HG3 MET 89 2HG MET 89 -10.495 -16.996 -3.877 677 HE1 MET 89 1HE MET 89 -11.536 -17.894 -2.159 678 HE2 MET 89 2HE MET 89 -11.043 -19.342 -1.280 679 HE3 MET 89 3HE MET 89 -10.709 -17.745 -0.608 680 H GLU 90 H GLU 90 -6.039 -18.546 -3.927 681 HA GLU 90 HA GLU 90 -4.954 -19.252 -6.456 682 HB2 GLU 90 1HB GLU 90 -3.472 -17.322 -5.724 683 HB3 GLU 90 2HB GLU 90 -2.908 -18.365 -4.426 684 HG2 GLU 90 1HG GLU 90 -2.323 -20.032 -6.277 685 HG3 GLU 90 2HG GLU 90 -2.518 -18.669 -7.378 686 H ALA 91 H ALA 91 -4.833 -21.393 -6.453 687 HA ALA 91 HA ALA 91 -4.685 -22.791 -3.881 688 HB1 ALA 91 1HB ALA 91 -6.512 -23.164 -5.710 689 HB2 ALA 91 2HB ALA 91 -5.278 -24.181 -6.454 690 HB3 ALA 91 3HB ALA 91 -5.849 -24.537 -4.824 691 H SER 92 H SER 92 -3.218 -24.461 -3.506 692 HA SER 92 HA SER 92 -0.939 -24.558 -5.373 693 HB2 SER 92 1HB SER 92 0.495 -24.985 -3.391 694 HB3 SER 92 2HB SER 92 -0.307 -23.416 -3.316 695 HG SER 92 HG SER 92 -1.916 -24.486 -1.983 696 H GLU 93 H GLU 93 -2.578 -26.405 -2.805 697 HA GLU 93 HA GLU 93 -2.894 -28.638 -2.499 698 HB2 GLU 93 1HB GLU 93 -2.873 -28.472 -5.508 699 HB3 GLU 93 2HB GLU 93 -3.188 -29.976 -4.653 700 HG2 GLU 93 1HG GLU 93 -5.165 -29.122 -3.682 701 HG3 GLU 93 2HG GLU 93 -4.782 -27.476 -4.183 702 H HIS 94 H HIS 94 -0.352 -27.963 -1.989 703 HA HIS 94 HA HIS 94 1.583 -29.409 -3.491 704 HB2 HIS 94 1HB HIS 94 3.146 -28.735 -1.860 705 HB3 HIS 94 2HB HIS 94 1.979 -27.418 -1.929 706 HD1 HIS 94 1HD HIS 94 -0.089 -27.901 -0.020 707 HD2 HIS 94 2HD HIS 94 3.743 -29.339 0.693 708 HE1 HIS 94 1HE HIS 94 0.035 -28.283 2.463 709 HE2 HIS 94 2HE HIS 94 2.391 -29.071 2.881 710 H GLY 95 H GLY 95 2.617 -31.355 -3.023 711 HA2 GLY 95 1HA GLY 95 0.956 -33.339 -1.789 712 HA3 GLY 95 2HA GLY 95 2.542 -33.602 -2.498 713 H GLY 96 H GLY 96 1.016 -32.102 0.353 714 HA2 GLY 96 1HA GLY 96 3.244 -33.196 1.955 715 HA3 GLY 96 2HA GLY 96 2.637 -31.568 2.217 716 H CYS 97 H CYS 97 2.586 -32.833 4.424 717 HA CYS 97 HA CYS 97 -0.220 -33.507 4.850 718 HB2 CYS 97 1HB CYS 97 0.298 -35.506 6.138 719 HB3 CYS 97 2HB CYS 97 0.931 -35.667 4.504 720 HG CYS 97 HG CYS 97 3.553 -34.740 5.508 721 H SER 98 H SER 98 -0.653 -33.739 7.277 722 HA SER 98 HA SER 98 1.121 -32.010 8.853 723 HB2 SER 98 1HB SER 98 -0.786 -30.742 9.713 724 HB3 SER 98 2HB SER 98 -0.708 -30.606 7.956 725 HG SER 98 HG SER 98 -2.555 -31.606 7.804 726 H THR 99 H THR 99 0.505 -32.053 11.214 727 HA THR 99 HA THR 99 -0.825 -34.516 12.047 728 HB THR 99 HB THR 99 1.963 -33.844 13.000 729 HG1 THR 99 1HG THR 99 2.693 -35.337 11.596 730 HG21 THR 99 1HG2 THR 99 0.383 -36.381 13.390 731 HG22 THR 99 2HG2 THR 99 0.397 -35.064 14.563 732 HG23 THR 99 3HG2 THR 99 1.892 -35.912 14.172 733 HA PRO 100 HA PRO 100 -2.349 -31.786 15.165 734 HB2 PRO 100 1HB PRO 100 -3.383 -33.660 16.835 735 HB3 PRO 100 2HB PRO 100 -4.147 -33.209 15.306 736 HG2 PRO 100 1HG PRO 100 -2.403 -35.561 15.930 737 HG3 PRO 100 2HG PRO 100 -3.894 -35.497 14.974 738 HD2 PRO 100 1HD PRO 100 -1.437 -35.555 13.838 739 HD3 PRO 100 2HD PRO 100 -2.809 -34.702 13.102 740 H GLY 101 H GLY 101 -2.291 -31.621 17.632 741 HA2 GLY 101 1HA GLY 101 -0.271 -32.978 19.093 742 HA3 GLY 101 2HA GLY 101 0.335 -31.432 18.517 743 H SER 102 H SER 102 0.059 -32.129 21.240 744 HA SER 102 HA SER 102 -1.813 -30.036 22.067 745 HB2 SER 102 1HB SER 102 -2.844 -31.347 23.751 746 HB3 SER 102 2HB SER 102 -2.847 -32.366 22.312 747 HG SER 102 HG SER 102 -1.181 -32.526 24.587 748 H GLY 103 H GLY 103 -1.353 -29.144 24.173 749 HA2 GLY 103 1HA GLY 103 1.467 -28.929 24.646 750 HA3 GLY 103 2HA GLY 103 0.193 -28.127 25.553 751 HA PRO 104 HA PRO 104 2.121 -31.874 27.825 752 HB2 PRO 104 1HB PRO 104 3.898 -30.571 29.411 753 HB3 PRO 104 2HB PRO 104 4.323 -31.219 27.822 754 HG2 PRO 104 1HG PRO 104 3.626 -28.413 28.598 755 HG3 PRO 104 2HG PRO 104 4.912 -28.990 27.521 756 HD2 PRO 104 1HD PRO 104 2.572 -27.991 26.593 757 HD3 PRO 104 2HD PRO 104 3.471 -29.264 25.743 758 H SER 105 H SER 105 0.361 -29.133 28.327 759 HA SER 105 HA SER 105 0.128 -28.484 30.903 760 HB2 SER 105 1HB SER 105 -1.473 -28.034 28.853 761 HB3 SER 105 2HB SER 105 -2.424 -29.325 29.586 762 HG SER 105 HG SER 105 -1.853 -27.818 31.579 763 H SER 106 H SER 106 -1.047 -31.528 29.530 764 HA SER 106 HA SER 106 -1.697 -32.488 32.222 765 HB2 SER 106 1HB SER 106 -2.359 -33.578 29.479 766 HB3 SER 106 2HB SER 106 -2.749 -34.413 30.983 767 HG SER 106 HG SER 106 -4.291 -32.767 29.845 768 H GLY 107 H GLY 107 0.317 -32.959 33.065 769 HA2 GLY 107 1HA GLY 107 1.548 -35.383 31.989 770 HA3 GLY 107 2HA GLY 107 2.573 -33.962 32.137 Start of MODEL 20 1 H1 GLY 1 H GLY 1 21.963 -20.974 -8.856 2 HA2 GLY 1 1HA GLY 1 21.567 -19.021 -6.682 3 HA3 GLY 1 2HA GLY 1 22.617 -20.427 -6.592 4 H SER 2 H SER 2 22.265 -17.173 -7.796 5 HA SER 2 HA SER 2 24.972 -17.167 -8.877 6 HB2 SER 2 1HB SER 2 22.876 -14.984 -8.796 7 HB3 SER 2 2HB SER 2 24.433 -14.870 -9.615 8 HG SER 2 HG SER 2 22.141 -15.981 -10.479 9 H SER 3 H SER 3 26.655 -16.679 -7.651 10 HA SER 3 HA SER 3 26.440 -15.802 -4.982 11 HB2 SER 3 1HB SER 3 28.742 -16.074 -6.899 12 HB3 SER 3 2HB SER 3 28.980 -15.377 -5.297 13 HG SER 3 HG SER 3 29.287 -17.727 -5.518 14 H GLY 4 H GLY 4 27.948 -13.847 -4.289 15 HA2 GLY 4 1HA GLY 4 27.344 -11.529 -6.005 16 HA3 GLY 4 2HA GLY 4 26.875 -11.512 -4.312 17 H SER 5 H SER 5 28.154 -9.937 -3.511 18 HA SER 5 HA SER 5 30.975 -10.516 -3.267 19 HB2 SER 5 1HB SER 5 30.500 -9.114 -5.441 20 HB3 SER 5 2HB SER 5 30.338 -7.777 -4.302 21 HG SER 5 HG SER 5 32.456 -7.795 -4.783 22 H SER 6 H SER 6 32.059 -8.703 -1.939 23 HA SER 6 HA SER 6 30.207 -8.001 0.229 24 HB2 SER 6 1HB SER 6 33.204 -8.385 0.188 25 HB3 SER 6 2HB SER 6 32.334 -7.736 1.577 26 HG SER 6 HG SER 6 31.400 -9.657 1.915 27 H GLY 7 H GLY 7 30.441 -5.942 1.297 28 HA2 GLY 7 1HA GLY 7 30.571 -3.651 1.295 29 HA3 GLY 7 2HA GLY 7 32.065 -3.847 0.390 30 H VAL 8 H VAL 8 29.021 -2.547 0.309 31 HA VAL 8 HA VAL 8 29.284 -1.679 -2.382 32 HB VAL 8 HB VAL 8 28.456 -4.013 -2.750 33 HG11 VAL 8 1HG1 VAL 8 25.919 -4.231 -2.328 34 HG12 VAL 8 2HG1 VAL 8 27.026 -4.484 -0.978 35 HG13 VAL 8 3HG1 VAL 8 26.164 -2.953 -1.139 36 HG21 VAL 8 1HG2 VAL 8 28.097 -2.431 -4.484 37 HG22 VAL 8 2HG2 VAL 8 26.582 -3.310 -4.280 38 HG23 VAL 8 3HG2 VAL 8 26.754 -1.685 -3.617 39 H LYS 9 H LYS 9 27.868 -0.008 -2.890 40 HA LYS 9 HA LYS 9 26.544 1.186 -0.607 41 HB2 LYS 9 1HB LYS 9 27.137 2.123 -3.406 42 HB3 LYS 9 2HB LYS 9 26.100 3.045 -2.326 43 HG2 LYS 9 1HG LYS 9 27.963 3.137 -0.694 44 HG3 LYS 9 2HG LYS 9 28.992 2.337 -1.886 45 HD2 LYS 9 1HD LYS 9 27.514 4.851 -2.579 46 HD3 LYS 9 2HD LYS 9 29.049 4.919 -1.708 47 HE2 LYS 9 1HE LYS 9 29.669 5.110 -3.948 48 HE3 LYS 9 2HE LYS 9 29.946 3.408 -3.579 49 HZ1 LYS 9 1HZ LYS 9 28.479 2.805 -5.109 50 HZ2 LYS 9 2HZ LYS 9 28.427 4.413 -5.629 51 HZ3 LYS 9 3HZ LYS 9 27.293 3.851 -4.507 52 HA PRO 10 HA PRO 10 22.472 -0.161 -1.593 53 HB2 PRO 10 1HB PRO 10 21.056 1.803 -0.364 54 HB3 PRO 10 2HB PRO 10 21.894 0.524 0.523 55 HG2 PRO 10 1HG PRO 10 22.760 3.340 -0.011 56 HG3 PRO 10 2HG PRO 10 22.877 2.398 1.487 57 HD2 PRO 10 1HD PRO 10 24.982 2.754 -0.179 58 HD3 PRO 10 2HD PRO 10 24.764 1.278 0.783 59 HA PRO 11 HA PRO 11 21.610 2.160 -5.303 60 HB2 PRO 11 1HB PRO 11 19.520 0.631 -6.118 61 HB3 PRO 11 2HB PRO 11 21.205 0.127 -6.294 62 HG2 PRO 11 1HG PRO 11 19.207 -0.643 -4.202 63 HG3 PRO 11 2HG PRO 11 20.374 -1.663 -5.064 64 HD2 PRO 11 1HD PRO 11 20.805 -0.764 -2.546 65 HD3 PRO 11 2HD PRO 11 22.124 -1.027 -3.706 66 H HIS 12 H HIS 12 19.076 1.201 -3.013 67 HA HIS 12 HA HIS 12 17.974 3.854 -3.024 68 HB2 HIS 12 1HB HIS 12 15.641 2.955 -3.611 69 HB3 HIS 12 2HB HIS 12 16.772 3.203 -4.938 70 HD1 HIS 12 1HD HIS 12 15.321 0.421 -2.828 71 HD2 HIS 12 2HD HIS 12 17.308 0.973 -6.434 72 HE1 HIS 12 1HE HIS 12 15.268 -1.817 -3.974 73 HE2 HIS 12 2HE HIS 12 16.551 -1.480 -6.115 74 H GLY 13 H GLY 13 15.637 3.581 -1.790 75 HA2 GLY 13 1HA GLY 13 16.351 2.100 0.658 76 HA3 GLY 13 2HA GLY 13 15.330 3.529 0.606 77 H PHE 14 H PHE 14 15.359 0.358 -1.030 78 HA PHE 14 HA PHE 14 12.603 -0.047 -0.092 79 HB2 PHE 14 1HB PHE 14 13.641 -0.442 -2.902 80 HB3 PHE 14 2HB PHE 14 12.110 -1.098 -2.332 81 HD1 PHE 14 1HD PHE 14 13.926 2.163 -2.366 82 HD2 PHE 14 2HD PHE 14 10.222 0.111 -2.796 83 HE1 PHE 14 1HE PHE 14 12.816 4.288 -2.920 84 HE2 PHE 14 2HE PHE 14 9.107 2.232 -3.351 85 HZ PHE 14 HZ PHE 14 10.404 4.325 -3.414 86 H GLN 15 H GLN 15 11.923 -2.283 -0.034 87 HA GLN 15 HA GLN 15 14.111 -4.237 -0.090 88 HB2 GLN 15 1HB GLN 15 12.145 -3.916 2.184 89 HB3 GLN 15 2HB GLN 15 13.347 -5.192 2.044 90 HG2 GLN 15 1HG GLN 15 15.131 -3.541 2.171 91 HG3 GLN 15 2HG GLN 15 13.936 -2.250 2.282 92 HE21 GLN 15 1HE2 GLN 15 13.851 -1.492 4.262 93 HE22 GLN 15 2HE2 GLN 15 13.910 -2.421 5.717 94 H LYS 16 H LYS 16 13.332 -6.492 -0.059 95 HA LYS 16 HA LYS 16 11.050 -6.763 -1.814 96 HB2 LYS 16 1HB LYS 16 13.242 -8.553 -0.864 97 HB3 LYS 16 2HB LYS 16 11.770 -9.291 -1.484 98 HG2 LYS 16 1HG LYS 16 12.147 -8.586 -3.620 99 HG3 LYS 16 2HG LYS 16 13.062 -7.166 -3.108 100 HD2 LYS 16 1HD LYS 16 15.022 -8.325 -2.928 101 HD3 LYS 16 2HD LYS 16 14.214 -9.841 -2.522 102 HE2 LYS 16 1HE LYS 16 13.517 -10.112 -4.833 103 HE3 LYS 16 2HE LYS 16 14.241 -8.560 -5.254 104 HZ1 LYS 16 1HZ LYS 16 15.465 -10.997 -5.374 105 HZ2 LYS 16 2HZ LYS 16 16.102 -10.304 -3.969 106 HZ3 LYS 16 3HZ LYS 16 16.234 -9.492 -5.447 107 H LYS 17 H LYS 17 9.206 -8.014 -1.406 108 HA LYS 17 HA LYS 17 7.477 -8.851 -0.188 109 HB2 LYS 17 1HB LYS 17 9.504 -9.427 1.975 110 HB3 LYS 17 2HB LYS 17 7.944 -10.205 1.741 111 HG2 LYS 17 1HG LYS 17 8.843 -11.011 -0.488 112 HG3 LYS 17 2HG LYS 17 10.429 -10.484 0.081 113 HD2 LYS 17 1HD LYS 17 10.495 -12.077 1.766 114 HD3 LYS 17 2HD LYS 17 8.741 -12.280 1.780 115 HE2 LYS 17 1HE LYS 17 8.817 -13.438 -0.334 116 HE3 LYS 17 2HE LYS 17 10.545 -13.126 -0.484 117 HZ1 LYS 17 1HZ LYS 17 9.783 -15.405 0.358 118 HZ2 LYS 17 2HZ LYS 17 9.478 -14.621 1.825 119 HZ3 LYS 17 3HZ LYS 17 11.043 -14.634 1.183 120 H MET 18 H MET 18 8.153 -6.064 -0.023 121 HA MET 18 HA MET 18 7.167 -5.442 2.683 122 HB2 MET 18 1HB MET 18 8.412 -3.479 2.729 123 HB3 MET 18 2HB MET 18 9.502 -4.602 1.927 124 HG2 MET 18 1HG MET 18 9.092 -3.651 -0.185 125 HG3 MET 18 2HG MET 18 7.693 -2.758 0.404 126 HE1 MET 18 1HE MET 18 8.672 -1.044 -1.022 127 HE2 MET 18 2HE MET 18 9.607 0.277 -0.322 128 HE3 MET 18 3HE MET 18 10.429 -1.032 -1.173 129 H LYS 19 H LYS 19 6.190 -3.032 2.545 130 HA LYS 19 HA LYS 19 4.260 -3.052 0.317 131 HB2 LYS 19 1HB LYS 19 3.822 -2.430 3.236 132 HB3 LYS 19 2HB LYS 19 2.676 -1.963 1.986 133 HG2 LYS 19 1HG LYS 19 3.543 -4.779 2.609 134 HG3 LYS 19 2HG LYS 19 2.017 -4.034 3.091 135 HD2 LYS 19 1HD LYS 19 1.860 -3.569 0.483 136 HD3 LYS 19 2HD LYS 19 2.920 -4.979 0.421 137 HE2 LYS 19 1HE LYS 19 0.275 -4.881 1.867 138 HE3 LYS 19 2HE LYS 19 0.505 -5.534 0.245 139 HZ1 LYS 19 1HZ LYS 19 1.087 -6.721 2.790 140 HZ2 LYS 19 2HZ LYS 19 2.391 -6.814 1.718 141 HZ3 LYS 19 3HZ LYS 19 0.888 -7.453 1.278 142 H LEU 20 H LEU 20 3.802 -1.131 -0.672 143 HA LEU 20 HA LEU 20 4.677 1.381 0.440 144 HB2 LEU 20 1HB LEU 20 6.427 1.869 -0.915 145 HB3 LEU 20 2HB LEU 20 6.626 0.120 -0.830 146 HG LEU 20 HG LEU 20 5.177 0.147 -3.009 147 HD11 LEU 20 1HD1 LEU 20 4.539 2.307 -3.374 148 HD12 LEU 20 2HD1 LEU 20 6.044 2.280 -4.292 149 HD13 LEU 20 3HD1 LEU 20 6.012 2.980 -2.674 150 HD21 LEU 20 1HD2 LEU 20 7.508 0.851 -4.177 151 HD22 LEU 20 2HD2 LEU 20 7.205 -0.726 -3.448 152 HD23 LEU 20 3HD2 LEU 20 8.057 0.520 -2.534 153 H GLU 21 H GLU 21 3.628 3.120 -0.448 154 HA GLU 21 HA GLU 21 1.359 2.508 -2.123 155 HB2 GLU 21 1HB GLU 21 2.289 5.130 -0.939 156 HB3 GLU 21 2HB GLU 21 0.760 4.881 -1.771 157 HG2 GLU 21 1HG GLU 21 0.059 3.310 -0.057 158 HG3 GLU 21 2HG GLU 21 1.607 3.499 0.765 159 H VAL 22 H VAL 22 1.338 2.626 -4.260 160 HA VAL 22 HA VAL 22 3.373 4.288 -5.598 161 HB VAL 22 HB VAL 22 2.104 1.697 -6.469 162 HG11 VAL 22 1HG1 VAL 22 3.590 3.746 -8.080 163 HG12 VAL 22 2HG1 VAL 22 3.577 2.041 -8.536 164 HG13 VAL 22 3HG1 VAL 22 2.063 2.943 -8.448 165 HG21 VAL 22 1HG2 VAL 22 3.992 1.366 -5.049 166 HG22 VAL 22 2HG2 VAL 22 4.511 1.036 -6.702 167 HG23 VAL 22 3HG2 VAL 22 4.939 2.564 -5.932 168 H VAL 23 H VAL 23 2.761 5.648 -7.236 169 HA VAL 23 HA VAL 23 -0.049 6.342 -7.330 170 HB VAL 23 HB VAL 23 2.368 7.600 -8.630 171 HG11 VAL 23 1HG1 VAL 23 0.425 7.965 -10.035 172 HG12 VAL 23 2HG1 VAL 23 -0.505 8.520 -8.642 173 HG13 VAL 23 3HG1 VAL 23 0.871 9.462 -9.217 174 HG21 VAL 23 1HG2 VAL 23 0.640 8.838 -6.523 175 HG22 VAL 23 2HG2 VAL 23 1.924 7.714 -6.079 176 HG23 VAL 23 3HG2 VAL 23 2.314 9.198 -6.948 177 H ASP 24 H ASP 24 -1.389 5.397 -8.706 178 HA ASP 24 HA ASP 24 -0.715 3.678 -10.764 179 HB2 ASP 24 1HB ASP 24 -3.010 4.144 -9.641 180 HB3 ASP 24 2HB ASP 24 -3.206 5.353 -10.907 181 H LYS 25 H LYS 25 0.550 4.151 -12.438 182 HA LYS 25 HA LYS 25 1.238 6.537 -13.514 183 HB2 LYS 25 1HB LYS 25 0.722 4.358 -15.476 184 HB3 LYS 25 2HB LYS 25 2.139 5.382 -15.282 185 HG2 LYS 25 1HG LYS 25 1.367 2.979 -13.652 186 HG3 LYS 25 2HG LYS 25 2.778 3.181 -14.693 187 HD2 LYS 25 1HD LYS 25 2.365 5.043 -12.394 188 HD3 LYS 25 2HD LYS 25 3.003 3.424 -12.098 189 HE2 LYS 25 1HE LYS 25 4.196 5.204 -14.195 190 HE3 LYS 25 2HE LYS 25 4.662 5.357 -12.502 191 HZ1 LYS 25 1HZ LYS 25 5.967 3.592 -12.682 192 HZ2 LYS 25 2HZ LYS 25 5.681 3.585 -14.349 193 HZ3 LYS 25 3HZ LYS 25 4.723 2.642 -13.322 194 H ARG 26 H ARG 26 -1.394 4.512 -14.824 195 HA ARG 26 HA ARG 26 -2.342 6.403 -16.659 196 HB2 ARG 26 1HB ARG 26 -4.300 4.551 -15.408 197 HB3 ARG 26 2HB ARG 26 -4.015 4.910 -17.106 198 HG2 ARG 26 1HG ARG 26 -1.777 3.636 -16.714 199 HG3 ARG 26 2HG ARG 26 -2.632 2.963 -15.324 200 HD2 ARG 26 1HD ARG 26 -2.771 1.620 -17.454 201 HD3 ARG 26 2HD ARG 26 -4.312 2.020 -16.697 202 HE ARG 26 HE ARG 26 -3.548 3.937 -18.670 203 HH11 ARG 26 2HH1 ARG 26 -4.979 0.797 -18.207 204 HH12 ARG 26 1HH1 ARG 26 -5.889 0.850 -19.680 205 HH21 ARG 26 2HH2 ARG 26 -4.741 4.019 -20.612 206 HH22 ARG 26 1HH2 ARG 26 -5.752 2.683 -21.048 207 H ASN 27 H ASN 27 -3.020 5.926 -13.253 208 HA ASN 27 HA ASN 27 -4.693 8.350 -13.310 209 HB2 ASN 27 1HB ASN 27 -5.140 5.725 -11.976 210 HB3 ASN 27 2HB ASN 27 -5.634 7.173 -11.104 211 HD21 ASN 27 1HD2 ASN 27 -6.696 4.841 -13.100 212 HD22 ASN 27 2HD2 ASN 27 -8.004 5.668 -13.867 213 HA PRO 28 HA PRO 28 -1.117 9.373 -10.667 214 HB2 PRO 28 1HB PRO 28 -1.261 12.039 -11.159 215 HB3 PRO 28 2HB PRO 28 -0.451 10.904 -12.245 216 HG2 PRO 28 1HG PRO 28 -3.193 12.089 -12.445 217 HG3 PRO 28 2HG PRO 28 -1.980 11.853 -13.717 218 HD2 PRO 28 1HD PRO 28 -4.082 10.179 -13.380 219 HD3 PRO 28 2HD PRO 28 -2.506 9.624 -13.980 220 H MET 29 H MET 29 -4.436 10.268 -10.658 221 HA MET 29 HA MET 29 -4.212 11.665 -8.101 222 HB2 MET 29 1HB MET 29 -6.496 12.321 -8.410 223 HB3 MET 29 2HB MET 29 -5.654 12.578 -9.932 224 HG2 MET 29 1HG MET 29 -6.544 10.311 -10.638 225 HG3 MET 29 2HG MET 29 -7.596 10.406 -9.227 226 HE1 MET 29 1HE MET 29 -6.305 13.024 -11.839 227 HE2 MET 29 2HE MET 29 -6.889 11.706 -12.855 228 HE3 MET 29 3HE MET 29 -7.733 13.255 -12.848 229 H PHE 30 H PHE 30 -3.997 8.631 -8.751 230 HA PHE 30 HA PHE 30 -5.674 7.797 -6.490 231 HB2 PHE 30 1HB PHE 30 -5.522 6.534 -9.215 232 HB3 PHE 30 2HB PHE 30 -5.951 5.579 -7.799 233 HD1 PHE 30 2HD PHE 30 -6.939 8.537 -9.794 234 HD2 PHE 30 1HD PHE 30 -8.125 5.611 -6.939 235 HE1 PHE 30 2HE PHE 30 -9.274 9.281 -10.007 236 HE2 PHE 30 1HE PHE 30 -10.463 6.350 -7.148 237 HZ PHE 30 HZ PHE 30 -11.040 8.188 -8.682 238 H ILE 31 H ILE 31 -4.618 6.630 -5.012 239 HA ILE 31 HA ILE 31 -2.066 5.377 -5.782 240 HB ILE 31 HB ILE 31 -2.618 6.870 -3.215 241 HG12 ILE 31 1HG1 ILE 31 -0.481 7.545 -5.211 242 HG13 ILE 31 2HG1 ILE 31 -2.126 8.120 -5.455 243 HG21 ILE 31 1HG2 ILE 31 -1.172 4.797 -3.065 244 HG22 ILE 31 2HG2 ILE 31 -0.012 5.650 -4.081 245 HG23 ILE 31 3HG2 ILE 31 -0.443 6.300 -2.499 246 HD11 ILE 31 1HD1 ILE 31 -0.945 9.850 -4.374 247 HD12 ILE 31 2HD1 ILE 31 -1.991 9.124 -3.154 248 HD13 ILE 31 3HD1 ILE 31 -0.270 8.742 -3.180 249 H ARG 32 H ARG 32 -1.619 3.397 -4.905 250 HA ARG 32 HA ARG 32 -3.431 2.307 -2.886 251 HB2 ARG 32 1HB ARG 32 -2.872 0.963 -5.537 252 HB3 ARG 32 2HB ARG 32 -3.745 0.238 -4.194 253 HG2 ARG 32 1HG ARG 32 -5.259 2.371 -4.454 254 HG3 ARG 32 2HG ARG 32 -4.599 2.358 -6.091 255 HD2 ARG 32 1HD ARG 32 -5.300 -0.050 -6.242 256 HD3 ARG 32 2HD ARG 32 -6.147 0.174 -4.711 257 HE ARG 32 HE ARG 32 -6.948 2.156 -6.552 258 HH11 ARG 32 2HH1 ARG 32 -7.286 -1.248 -5.903 259 HH12 ARG 32 1HH1 ARG 32 -8.838 -1.371 -6.664 260 HH21 ARG 32 2HH2 ARG 32 -8.990 2.006 -7.556 261 HH22 ARG 32 1HH2 ARG 32 -9.806 0.480 -7.605 262 H VAL 33 H VAL 33 -2.644 0.193 -2.040 263 HA VAL 33 HA VAL 33 0.095 0.380 -1.339 264 HB VAL 33 HB VAL 33 -1.838 -1.909 -0.949 265 HG11 VAL 33 1HG1 VAL 33 0.492 -2.648 -0.825 266 HG12 VAL 33 2HG1 VAL 33 0.827 -1.394 0.370 267 HG13 VAL 33 3HG1 VAL 33 -0.288 -2.706 0.755 268 HG21 VAL 33 1HG2 VAL 33 -2.758 -0.660 0.639 269 HG22 VAL 33 2HG2 VAL 33 -1.201 -0.573 1.464 270 HG23 VAL 33 3HG2 VAL 33 -1.639 0.656 0.277 271 H ALA 34 H ALA 34 1.844 -0.901 -1.903 272 HA ALA 34 HA ALA 34 1.471 -2.711 -4.192 273 HB1 ALA 34 1HB ALA 34 2.417 -0.340 -4.703 274 HB2 ALA 34 2HB ALA 34 3.911 -0.997 -4.032 275 HB3 ALA 34 3HB ALA 34 3.164 -1.760 -5.435 276 H THR 35 H THR 35 3.515 -4.052 -4.558 277 HA THR 35 HA THR 35 4.898 -4.656 -2.044 278 HB THR 35 HB THR 35 3.492 -6.713 -3.757 279 HG1 THR 35 1HG THR 35 1.979 -6.560 -2.292 280 HG21 THR 35 1HG2 THR 35 4.873 -8.263 -2.950 281 HG22 THR 35 2HG2 THR 35 4.525 -7.749 -1.299 282 HG23 THR 35 3HG2 THR 35 5.834 -6.987 -2.202 283 H VAL 36 H VAL 36 7.000 -4.528 -2.441 284 HA VAL 36 HA VAL 36 8.114 -4.562 -5.046 285 HB VAL 36 HB VAL 36 9.635 -4.957 -2.471 286 HG11 VAL 36 1HG1 VAL 36 11.145 -5.270 -4.191 287 HG12 VAL 36 2HG1 VAL 36 10.340 -4.110 -5.250 288 HG13 VAL 36 3HG1 VAL 36 11.298 -3.541 -3.882 289 HG21 VAL 36 1HG2 VAL 36 9.850 -2.500 -2.406 290 HG22 VAL 36 2HG2 VAL 36 8.706 -2.383 -3.744 291 HG23 VAL 36 3HG2 VAL 36 8.184 -3.038 -2.192 292 H ALA 37 H ALA 37 7.965 -6.396 -6.208 293 HA ALA 37 HA ALA 37 8.337 -8.994 -5.015 294 HB1 ALA 37 1HB ALA 37 8.351 -8.765 -7.951 295 HB2 ALA 37 2HB ALA 37 7.417 -9.827 -6.897 296 HB3 ALA 37 3HB ALA 37 6.908 -8.157 -7.141 297 H ASP 38 H ASP 38 10.199 -6.777 -7.006 298 HA ASP 38 HA ASP 38 12.616 -8.257 -6.379 299 HB2 ASP 38 1HB ASP 38 11.567 -9.102 -8.607 300 HB3 ASP 38 2HB ASP 38 12.152 -7.577 -9.267 301 H THR 39 H THR 39 14.415 -6.982 -6.292 302 HA THR 39 HA THR 39 13.980 -4.115 -6.793 303 HB THR 39 HB THR 39 16.016 -3.860 -5.256 304 HG1 THR 39 1HG THR 39 15.263 -6.458 -4.392 305 HG21 THR 39 1HG2 THR 39 14.647 -3.640 -3.408 306 HG22 THR 39 2HG2 THR 39 13.728 -5.098 -3.784 307 HG23 THR 39 3HG2 THR 39 13.466 -3.625 -4.717 308 H ASP 40 H ASP 40 14.789 -3.521 -8.699 309 HA ASP 40 HA ASP 40 17.068 -4.869 -9.859 310 HB2 ASP 40 1HB ASP 40 15.002 -3.959 -11.113 311 HB3 ASP 40 2HB ASP 40 15.775 -2.384 -10.960 312 H ASP 41 H ASP 41 18.701 -3.272 -10.990 313 HA ASP 41 HA ASP 41 20.457 -2.304 -9.171 314 HB2 ASP 41 1HB ASP 41 19.895 -1.368 -11.979 315 HB3 ASP 41 2HB ASP 41 21.216 -0.698 -11.026 316 H HIS 42 H HIS 42 18.355 -0.093 -11.023 317 HA HIS 42 HA HIS 42 18.227 1.626 -8.633 318 HB2 HIS 42 1HB HIS 42 18.051 2.775 -11.395 319 HB3 HIS 42 2HB HIS 42 18.541 3.555 -9.894 320 HD1 HIS 42 1HD HIS 42 20.996 3.675 -9.430 321 HD2 HIS 42 2HD HIS 42 20.087 1.008 -12.483 322 HE1 HIS 42 1HE HIS 42 23.211 2.974 -10.392 323 HE2 HIS 42 2HE HIS 42 22.632 1.426 -12.293 324 H ARG 43 H ARG 43 16.392 -0.471 -9.603 325 HA ARG 43 HA ARG 43 13.968 1.148 -9.577 326 HB2 ARG 43 1HB ARG 43 14.351 -1.047 -11.617 327 HB3 ARG 43 2HB ARG 43 12.960 0.017 -11.449 328 HG2 ARG 43 1HG ARG 43 14.739 1.897 -11.857 329 HG3 ARG 43 2HG ARG 43 15.650 0.575 -12.589 330 HD2 ARG 43 1HD ARG 43 13.376 0.108 -13.812 331 HD3 ARG 43 2HD ARG 43 13.064 1.801 -13.429 332 HE ARG 43 HE ARG 43 14.577 2.400 -15.035 333 HH11 ARG 43 2HH1 ARG 43 15.040 -0.957 -14.239 334 HH12 ARG 43 1HH1 ARG 43 16.184 -1.236 -15.510 335 HH21 ARG 43 2HH2 ARG 43 16.082 2.046 -16.712 336 HH22 ARG 43 1HH2 ARG 43 16.777 0.473 -16.915 337 H VAL 44 H VAL 44 12.004 -0.234 -9.236 338 HA VAL 44 HA VAL 44 12.541 -2.824 -8.005 339 HB VAL 44 HB VAL 44 11.270 -2.246 -5.969 340 HG11 VAL 44 1HG1 VAL 44 13.582 -0.347 -6.264 341 HG12 VAL 44 2HG1 VAL 44 13.058 -1.224 -4.825 342 HG13 VAL 44 3HG1 VAL 44 13.799 -2.095 -6.169 343 HG21 VAL 44 1HG2 VAL 44 11.213 0.340 -5.548 344 HG22 VAL 44 2HG2 VAL 44 11.165 0.417 -7.310 345 HG23 VAL 44 3HG2 VAL 44 9.907 -0.451 -6.431 346 H LYS 45 H LYS 45 11.107 -4.194 -8.807 347 HA LYS 45 HA LYS 45 8.819 -3.400 -10.255 348 HB2 LYS 45 1HB LYS 45 10.168 -5.580 -10.435 349 HB3 LYS 45 2HB LYS 45 9.210 -6.140 -9.071 350 HG2 LYS 45 1HG LYS 45 7.262 -6.221 -10.296 351 HG3 LYS 45 2HG LYS 45 7.838 -5.050 -11.485 352 HD2 LYS 45 1HD LYS 45 9.617 -6.937 -11.971 353 HD3 LYS 45 2HD LYS 45 8.368 -7.974 -11.279 354 HE2 LYS 45 1HE LYS 45 7.898 -7.989 -13.562 355 HE3 LYS 45 2HE LYS 45 6.772 -6.798 -12.912 356 HZ1 LYS 45 1HZ LYS 45 9.332 -6.239 -14.306 357 HZ2 LYS 45 2HZ LYS 45 8.369 -5.059 -13.573 358 HZ3 LYS 45 3HZ LYS 45 7.774 -5.936 -14.890 359 H VAL 46 H VAL 46 7.066 -2.509 -9.393 360 HA VAL 46 HA VAL 46 6.226 -3.296 -6.697 361 HB VAL 46 HB VAL 46 4.660 -1.323 -6.912 362 HG11 VAL 46 1HG1 VAL 46 6.210 -0.032 -5.918 363 HG12 VAL 46 2HG1 VAL 46 7.236 -1.459 -6.079 364 HG13 VAL 46 3HG1 VAL 46 7.334 -0.162 -7.271 365 HG21 VAL 46 1HG2 VAL 46 5.504 -1.429 -9.585 366 HG22 VAL 46 2HG2 VAL 46 4.456 -0.225 -8.834 367 HG23 VAL 46 3HG2 VAL 46 6.197 0.047 -8.911 368 H HIS 47 H HIS 47 4.774 -4.868 -6.581 369 HA HIS 47 HA HIS 47 2.834 -5.186 -8.763 370 HB2 HIS 47 1HB HIS 47 3.897 -7.240 -8.502 371 HB3 HIS 47 2HB HIS 47 4.008 -7.074 -6.752 372 HD1 HIS 47 1HD HIS 47 2.021 -8.624 -9.370 373 HD2 HIS 47 2HD HIS 47 1.418 -7.455 -5.429 374 HE1 HIS 47 1HE HIS 47 -0.049 -9.838 -8.618 375 HE2 HIS 47 2HE HIS 47 -0.442 -9.049 -6.258 376 H PHE 48 H PHE 48 0.754 -4.727 -8.453 377 HA PHE 48 HA PHE 48 -0.116 -3.757 -5.879 378 HB2 PHE 48 1HB PHE 48 -1.401 -3.920 -8.597 379 HB3 PHE 48 2HB PHE 48 -2.319 -3.439 -7.174 380 HD1 PHE 48 1HD PHE 48 1.157 -2.629 -8.239 381 HD2 PHE 48 2HD PHE 48 -2.750 -1.185 -7.361 382 HE1 PHE 48 1HE PHE 48 1.954 -0.317 -8.511 383 HE2 PHE 48 2HE PHE 48 -1.959 1.129 -7.633 384 HZ PHE 48 HZ PHE 48 0.396 1.566 -8.209 385 H ASP 49 H ASP 49 -0.504 -5.291 -4.395 386 HA ASP 49 HA ASP 49 -1.143 -7.895 -4.612 387 HB2 ASP 49 1HB ASP 49 -0.824 -6.698 -2.465 388 HB3 ASP 49 2HB ASP 49 -2.441 -6.019 -2.625 389 H GLY 50 H GLY 50 -2.697 -9.065 -5.523 390 HA2 GLY 50 1HA GLY 50 -4.956 -9.669 -5.905 391 HA3 GLY 50 2HA GLY 50 -5.421 -7.994 -5.648 392 H TRP 51 H TRP 51 -3.869 -6.614 -7.377 393 HA TRP 51 HA TRP 51 -5.188 -6.940 -9.822 394 HB2 TRP 51 1HB TRP 51 -2.659 -5.442 -9.122 395 HB3 TRP 51 2HB TRP 51 -3.438 -5.345 -10.699 396 HD1 TRP 51 HD TRP 51 -4.748 -4.968 -7.050 397 HE1 TRP 51 1HE TRP 51 -6.224 -2.861 -6.964 398 HE3 TRP 51 3HE TRP 51 -4.326 -3.482 -11.923 399 HZ2 TRP 51 2HZ TRP 51 -7.095 -0.837 -8.729 400 HZ3 TRP 51 3HZ TRP 51 -5.512 -1.450 -12.644 401 HH2 TRP 51 HH TRP 51 -6.868 -0.157 -11.078 402 H ASN 52 H ASN 52 -4.600 -7.819 -11.780 403 HA ASN 52 HA ASN 52 -3.243 -10.187 -11.881 404 HB2 ASN 52 1HB ASN 52 -4.699 -8.990 -13.677 405 HB3 ASN 52 2HB ASN 52 -3.165 -8.342 -14.250 406 HD21 ASN 52 1HD2 ASN 52 -4.374 -9.740 -16.047 407 HD22 ASN 52 2HD2 ASN 52 -3.724 -11.332 -16.220 408 H ASN 53 H ASN 53 -1.192 -10.827 -12.746 409 HA ASN 53 HA ASN 53 0.981 -9.381 -11.679 410 HB2 ASN 53 1HB ASN 53 2.387 -11.049 -12.900 411 HB3 ASN 53 2HB ASN 53 1.127 -11.779 -11.909 412 HD21 ASN 53 1HD2 ASN 53 -0.445 -12.972 -12.854 413 HD22 ASN 53 2HD2 ASN 53 -0.497 -13.332 -14.543 414 H CYS 54 H CYS 54 -0.431 -9.532 -14.885 415 HA CYS 54 HA CYS 54 1.580 -8.419 -16.419 416 HB2 CYS 54 1HB CYS 54 -0.696 -9.298 -17.172 417 HB3 CYS 54 2HB CYS 54 -1.331 -7.710 -16.760 418 HG CYS 54 HG CYS 54 0.198 -6.331 -18.620 419 H TYR 55 H TYR 55 -1.080 -6.656 -14.824 420 HA TYR 55 HA TYR 55 -0.550 -4.093 -15.412 421 HB2 TYR 55 1HB TYR 55 -1.467 -5.403 -12.899 422 HB3 TYR 55 2HB TYR 55 -1.049 -3.695 -12.821 423 HD1 TYR 55 1HD TYR 55 -2.143 -2.193 -14.684 424 HD2 TYR 55 2HD TYR 55 -3.625 -5.998 -13.488 425 HE1 TYR 55 1HE TYR 55 -4.357 -1.605 -15.578 426 HE2 TYR 55 2HE TYR 55 -5.843 -5.421 -14.380 427 HH TYR 55 HH TYR 55 -6.510 -2.208 -15.709 428 H ASP 56 H ASP 56 1.155 -5.922 -12.884 429 HA ASP 56 HA ASP 56 2.794 -4.154 -11.737 430 HB2 ASP 56 1HB ASP 56 3.955 -6.679 -12.908 431 HB3 ASP 56 2HB ASP 56 4.409 -5.865 -11.413 432 H TYR 57 H TYR 57 4.798 -3.162 -12.136 433 HA TYR 57 HA TYR 57 5.975 -3.269 -14.768 434 HB2 TYR 57 1HB TYR 57 5.761 -0.720 -14.999 435 HB3 TYR 57 2HB TYR 57 4.340 -1.690 -15.371 436 HD1 TYR 57 2HD TYR 57 5.903 0.182 -12.546 437 HD2 TYR 57 1HD TYR 57 2.308 -1.130 -14.405 438 HE1 TYR 57 2HE TYR 57 4.595 1.489 -10.925 439 HE2 TYR 57 1HE TYR 57 0.990 0.175 -12.790 440 HH TYR 57 HH TYR 57 2.572 2.157 -10.303 441 H TRP 58 H TRP 58 8.015 -2.222 -14.886 442 HA TRP 58 HA TRP 58 9.381 -2.142 -12.354 443 HB2 TRP 58 1HB TRP 58 10.198 -1.987 -15.226 444 HB3 TRP 58 2HB TRP 58 11.323 -1.425 -13.993 445 HD1 TRP 58 HD TRP 58 10.255 -4.501 -15.740 446 HE1 TRP 58 1HE TRP 58 11.279 -6.579 -14.617 447 HE3 TRP 58 3HE TRP 58 11.921 -2.348 -11.412 448 HZ2 TRP 58 2HZ TRP 58 12.615 -7.220 -12.215 449 HZ3 TRP 58 3HZ TRP 58 13.061 -3.763 -9.754 450 HH2 TRP 58 HH TRP 58 13.399 -6.149 -10.148 451 H ILE 59 H ILE 59 9.052 -0.390 -11.124 452 HA ILE 59 HA ILE 59 9.169 2.258 -12.401 453 HB ILE 59 HB ILE 59 7.118 1.602 -11.039 454 HG12 ILE 59 1HG1 ILE 59 8.574 4.056 -10.048 455 HG13 ILE 59 2HG1 ILE 59 7.851 3.949 -11.650 456 HG21 ILE 59 1HG2 ILE 59 7.381 1.962 -8.574 457 HG22 ILE 59 2HG2 ILE 59 8.128 0.490 -9.192 458 HG23 ILE 59 3HG2 ILE 59 9.126 1.894 -8.816 459 HD11 ILE 59 1HD1 ILE 59 6.628 4.784 -9.302 460 HD12 ILE 59 2HD1 ILE 59 5.850 4.441 -10.847 461 HD13 ILE 59 3HD1 ILE 59 5.964 3.182 -9.618 462 H ASP 60 H ASP 60 10.615 3.779 -11.731 463 HA ASP 60 HA ASP 60 13.009 2.914 -10.512 464 HB2 ASP 60 1HB ASP 60 11.971 5.699 -11.067 465 HB3 ASP 60 2HB ASP 60 13.607 5.345 -10.518 466 H ALA 61 H ALA 61 13.453 2.614 -8.440 467 HA ALA 61 HA ALA 61 11.672 3.075 -6.348 468 HB1 ALA 61 1HB ALA 61 14.201 3.047 -5.179 469 HB2 ALA 61 2HB ALA 61 13.135 1.667 -5.445 470 HB3 ALA 61 3HB ALA 61 14.361 2.077 -6.644 471 H ASP 62 H ASP 62 13.764 5.249 -7.948 472 HA ASP 62 HA ASP 62 13.763 7.152 -5.730 473 HB2 ASP 62 1HB ASP 62 15.146 7.143 -8.415 474 HB3 ASP 62 2HB ASP 62 15.184 8.523 -7.321 475 H SER 63 H SER 63 11.932 6.380 -8.453 476 HA SER 63 HA SER 63 11.131 8.753 -9.563 477 HB2 SER 63 1HB SER 63 10.362 6.313 -10.049 478 HB3 SER 63 2HB SER 63 9.078 6.663 -8.891 479 HG SER 63 HG SER 63 8.157 7.948 -10.295 480 HA PRO 64 HA PRO 64 9.298 11.052 -6.269 481 HB2 PRO 64 1HB PRO 64 7.991 12.887 -7.784 482 HB3 PRO 64 2HB PRO 64 9.741 12.914 -7.540 483 HG2 PRO 64 1HG PRO 64 8.168 11.866 -9.861 484 HG3 PRO 64 2HG PRO 64 9.657 12.829 -9.862 485 HD2 PRO 64 1HD PRO 64 9.656 10.150 -10.251 486 HD3 PRO 64 2HD PRO 64 10.992 10.997 -9.447 487 H ASP 65 H ASP 65 7.580 9.260 -8.605 488 HA ASP 65 HA ASP 65 4.940 9.938 -7.658 489 HB2 ASP 65 1HB ASP 65 5.504 7.500 -9.301 490 HB3 ASP 65 2HB ASP 65 4.122 8.591 -9.361 491 H ILE 66 H ILE 66 7.384 7.595 -6.940 492 HA ILE 66 HA ILE 66 5.667 5.715 -5.636 493 HB ILE 66 HB ILE 66 8.658 6.094 -5.535 494 HG12 ILE 66 1HG1 ILE 66 6.959 3.963 -6.849 495 HG13 ILE 66 2HG1 ILE 66 7.674 5.334 -7.689 496 HG21 ILE 66 1HG2 ILE 66 8.271 5.054 -3.508 497 HG22 ILE 66 2HG2 ILE 66 6.876 4.162 -4.114 498 HG23 ILE 66 3HG2 ILE 66 8.505 3.681 -4.590 499 HD11 ILE 66 1HD1 ILE 66 9.884 4.356 -6.607 500 HD12 ILE 66 2HD1 ILE 66 8.937 2.869 -6.656 501 HD13 ILE 66 3HD1 ILE 66 9.243 3.768 -8.141 502 H HIS 67 H HIS 67 4.927 5.718 -3.609 503 HA HIS 67 HA HIS 67 6.150 7.561 -1.668 504 HB2 HIS 67 1HB HIS 67 3.192 7.089 -2.094 505 HB3 HIS 67 2HB HIS 67 3.884 8.037 -0.781 506 HD1 HIS 67 1HD HIS 67 5.560 10.065 -1.821 507 HD2 HIS 67 2HD HIS 67 2.414 8.657 -4.140 508 HE1 HIS 67 1HE HIS 67 5.125 11.862 -3.525 509 HE2 HIS 67 2HE HIS 67 3.162 11.025 -4.863 510 HA PRO 68 HA PRO 68 6.368 4.022 0.944 511 HB2 PRO 68 1HB PRO 68 6.613 5.284 3.335 512 HB3 PRO 68 2HB PRO 68 7.925 5.201 2.153 513 HG2 PRO 68 1HG PRO 68 6.004 7.432 2.699 514 HG3 PRO 68 2HG PRO 68 7.752 7.507 2.406 515 HD2 PRO 68 1HD PRO 68 5.928 8.071 0.486 516 HD3 PRO 68 2HD PRO 68 7.504 7.339 0.121 517 H VAL 69 H VAL 69 5.276 3.007 2.784 518 HA VAL 69 HA VAL 69 2.467 3.208 2.602 519 HB VAL 69 HB VAL 69 4.294 1.753 4.493 520 HG11 VAL 69 1HG1 VAL 69 2.660 1.786 6.022 521 HG12 VAL 69 2HG1 VAL 69 1.467 2.388 4.869 522 HG13 VAL 69 3HG1 VAL 69 1.826 0.662 4.948 523 HG21 VAL 69 1HG2 VAL 69 4.041 0.023 3.102 524 HG22 VAL 69 2HG2 VAL 69 2.298 0.263 2.983 525 HG23 VAL 69 3HG2 VAL 69 3.388 1.193 1.954 526 H GLY 70 H GLY 70 1.553 5.110 3.190 527 HA2 GLY 70 1HA GLY 70 0.496 5.979 5.295 528 HA3 GLY 70 2HA GLY 70 2.136 6.087 5.918 529 H TRP 71 H TRP 71 1.857 6.839 2.614 530 HA TRP 71 HA TRP 71 2.594 9.570 3.103 531 HB2 TRP 71 1HB TRP 71 3.667 8.671 1.236 532 HB3 TRP 71 2HB TRP 71 2.203 7.887 0.649 533 HD1 TRP 71 HD TRP 71 4.287 10.902 0.120 534 HE1 TRP 71 1HE TRP 71 3.100 12.548 -1.463 535 HE3 TRP 71 3HE TRP 71 -0.378 8.811 0.124 536 HZ2 TRP 71 2HZ TRP 71 0.526 12.912 -2.564 537 HZ3 TRP 71 3HZ TRP 71 -2.147 9.870 -1.220 538 HH2 TRP 71 HH TRP 71 -1.702 11.878 -2.535 539 H CYS 72 H CYS 72 -0.340 7.941 2.854 540 HA CYS 72 HA CYS 72 -1.928 9.857 1.519 541 HB2 CYS 72 1HB CYS 72 -3.840 8.705 2.590 542 HB3 CYS 72 2HB CYS 72 -2.715 7.581 1.837 543 HG CYS 72 HG CYS 72 -3.179 6.148 3.993 544 H SER 73 H SER 73 -0.764 9.597 4.789 545 HA SER 73 HA SER 73 -2.569 11.581 5.843 546 HB2 SER 73 1HB SER 73 -0.083 10.314 7.019 547 HB3 SER 73 2HB SER 73 -1.162 11.401 7.892 548 HG SER 73 HG SER 73 -2.854 9.851 7.419 549 H LYS 74 H LYS 74 0.923 11.452 5.158 550 HA LYS 74 HA LYS 74 1.853 13.845 5.878 551 HB2 LYS 74 1HB LYS 74 2.265 12.478 3.220 552 HB3 LYS 74 2HB LYS 74 3.190 13.887 3.722 553 HG2 LYS 74 1HG LYS 74 4.008 12.642 5.670 554 HG3 LYS 74 2HG LYS 74 3.105 11.225 5.129 555 HD2 LYS 74 1HD LYS 74 5.377 10.962 4.429 556 HD3 LYS 74 2HD LYS 74 4.406 11.309 2.996 557 HE2 LYS 74 1HE LYS 74 5.290 13.417 2.744 558 HE3 LYS 74 2HE LYS 74 5.690 13.570 4.454 559 HZ1 LYS 74 1HZ LYS 74 7.194 12.276 2.301 560 HZ2 LYS 74 2HZ LYS 74 7.320 11.624 3.856 561 HZ3 LYS 74 3HZ LYS 74 7.749 13.237 3.579 562 H THR 75 H THR 75 0.473 13.487 2.608 563 HA THR 75 HA THR 75 0.023 16.332 2.432 564 HB THR 75 HB THR 75 -0.711 15.942 0.179 565 HG1 THR 75 1HG THR 75 -0.984 13.771 -0.578 566 HG21 THR 75 1HG2 THR 75 1.721 15.783 0.619 567 HG22 THR 75 2HG2 THR 75 1.215 14.817 -0.767 568 HG23 THR 75 3HG2 THR 75 1.553 14.035 0.777 569 H GLY 76 H GLY 76 -1.990 13.407 2.573 570 HA2 GLY 76 1HA GLY 76 -4.007 13.485 3.941 571 HA3 GLY 76 2HA GLY 76 -4.243 15.135 3.382 572 H HIS 77 H HIS 77 -3.300 12.443 1.329 573 HA HIS 77 HA HIS 77 -5.744 12.857 -0.227 574 HB2 HIS 77 1HB HIS 77 -3.022 11.806 -0.830 575 HB3 HIS 77 2HB HIS 77 -4.368 11.190 -1.784 576 HD1 HIS 77 1HD HIS 77 -3.592 14.731 -0.614 577 HD2 HIS 77 2HD HIS 77 -4.286 12.578 -4.099 578 HE1 HIS 77 1HE HIS 77 -3.578 16.430 -2.468 579 HE2 HIS 77 2HE HIS 77 -4.085 15.116 -4.556 580 HA PRO 78 HA PRO 78 -7.579 9.115 1.185 581 HB2 PRO 78 1HB PRO 78 -9.239 8.630 -0.908 582 HB3 PRO 78 2HB PRO 78 -9.535 9.908 0.277 583 HG2 PRO 78 1HG PRO 78 -8.338 10.104 -2.459 584 HG3 PRO 78 2HG PRO 78 -9.526 11.164 -1.679 585 HD2 PRO 78 1HD PRO 78 -6.898 11.793 -1.841 586 HD3 PRO 78 2HD PRO 78 -7.916 12.292 -0.476 587 H LEU 79 H LEU 79 -6.961 7.043 1.149 588 HA LEU 79 HA LEU 79 -5.455 6.081 -1.173 589 HB2 LEU 79 1HB LEU 79 -4.478 6.020 1.146 590 HB3 LEU 79 2HB LEU 79 -5.686 4.799 1.541 591 HG LEU 79 HG LEU 79 -4.691 3.421 -0.351 592 HD11 LEU 79 1HD1 LEU 79 -3.444 5.000 -1.570 593 HD12 LEU 79 2HD1 LEU 79 -2.252 3.989 -0.754 594 HD13 LEU 79 3HD1 LEU 79 -2.627 5.593 -0.124 595 HD21 LEU 79 1HD2 LEU 79 -4.330 3.021 2.077 596 HD22 LEU 79 2HD2 LEU 79 -2.876 4.015 1.982 597 HD23 LEU 79 3HD2 LEU 79 -2.980 2.513 1.062 598 H GLN 80 H GLN 80 -6.060 4.332 -2.352 599 HA GLN 80 HA GLN 80 -8.730 3.252 -1.797 600 HB2 GLN 80 1HB GLN 80 -7.079 3.230 -4.329 601 HB3 GLN 80 2HB GLN 80 -8.669 2.497 -4.166 602 HG2 GLN 80 1HG GLN 80 -8.067 5.422 -3.796 603 HG3 GLN 80 2HG GLN 80 -8.732 4.695 -5.258 604 HE21 GLN 80 1HE2 GLN 80 -9.331 5.207 -1.825 605 HE22 GLN 80 2HE2 GLN 80 -11.055 5.177 -1.935 606 HA PRO 81 HA PRO 81 -6.790 -0.520 -0.482 607 HB2 PRO 81 1HB PRO 81 -9.078 -1.957 -0.215 608 HB3 PRO 81 2HB PRO 81 -8.565 -0.740 0.961 609 HG2 PRO 81 1HG PRO 81 -10.564 -0.508 -1.255 610 HG3 PRO 81 2HG PRO 81 -10.667 0.088 0.412 611 HD2 PRO 81 1HD PRO 81 -10.027 1.694 -1.673 612 HD3 PRO 81 2HD PRO 81 -9.378 1.945 -0.040 613 HA PRO 82 HA PRO 82 -6.444 -2.872 -4.199 614 HB2 PRO 82 1HB PRO 82 -5.522 -5.201 -3.152 615 HB3 PRO 82 2HB PRO 82 -4.524 -3.748 -3.290 616 HG2 PRO 82 1HG PRO 82 -5.987 -4.823 -0.909 617 HG3 PRO 82 2HG PRO 82 -4.352 -4.143 -1.004 618 HD2 PRO 82 1HD PRO 82 -6.471 -2.719 -0.104 619 HD3 PRO 82 2HD PRO 82 -5.118 -1.969 -0.975 620 H LEU 83 H LEU 83 -6.906 -5.341 -4.827 621 HA LEU 83 HA LEU 83 -9.664 -5.648 -4.941 622 HB2 LEU 83 1HB LEU 83 -7.330 -7.393 -5.494 623 HB3 LEU 83 2HB LEU 83 -8.910 -8.164 -5.372 624 HG LEU 83 HG LEU 83 -8.284 -7.668 -7.693 625 HD11 LEU 83 1HD1 LEU 83 -10.436 -5.780 -7.564 626 HD12 LEU 83 2HD1 LEU 83 -10.706 -7.080 -6.404 627 HD13 LEU 83 3HD1 LEU 83 -10.451 -7.458 -8.108 628 HD21 LEU 83 1HD2 LEU 83 -8.551 -4.752 -7.023 629 HD22 LEU 83 2HD2 LEU 83 -7.952 -5.492 -8.508 630 HD23 LEU 83 3HD2 LEU 83 -6.990 -5.573 -7.031 631 H SER 84 H SER 84 -10.952 -7.492 -4.103 632 HA SER 84 HA SER 84 -11.117 -7.481 -1.344 633 HB2 SER 84 1HB SER 84 -12.189 -9.304 -3.464 634 HB3 SER 84 2HB SER 84 -12.387 -9.750 -1.770 635 HG SER 84 HG SER 84 -13.229 -7.317 -2.969 636 HA PRO 85 HA PRO 85 -8.119 -10.269 0.232 637 HB2 PRO 85 1HB PRO 85 -9.472 -11.480 2.250 638 HB3 PRO 85 2HB PRO 85 -8.933 -9.799 2.328 639 HG2 PRO 85 1HG PRO 85 -11.641 -10.890 1.666 640 HG3 PRO 85 2HG PRO 85 -11.211 -9.511 2.694 641 HD2 PRO 85 1HD PRO 85 -12.079 -9.214 0.146 642 HD3 PRO 85 2HD PRO 85 -10.917 -8.100 0.895 643 H LEU 86 H LEU 86 -10.728 -11.345 -1.493 644 HA LEU 86 HA LEU 86 -9.969 -14.175 -1.205 645 HB2 LEU 86 1HB LEU 86 -12.214 -14.410 -2.555 646 HB3 LEU 86 2HB LEU 86 -12.206 -14.225 -0.802 647 HG LEU 86 HG LEU 86 -12.464 -11.786 -2.497 648 HD11 LEU 86 1HD1 LEU 86 -14.207 -12.719 -3.570 649 HD12 LEU 86 2HD1 LEU 86 -15.054 -12.393 -2.058 650 HD13 LEU 86 3HD1 LEU 86 -14.399 -14.000 -2.372 651 HD21 LEU 86 1HD2 LEU 86 -13.205 -12.682 0.250 652 HD22 LEU 86 2HD2 LEU 86 -14.121 -11.381 -0.512 653 HD23 LEU 86 3HD2 LEU 86 -12.381 -11.213 -0.273 654 H GLU 87 H GLU 87 -10.574 -11.583 -3.515 655 HA GLU 87 HA GLU 87 -10.372 -12.887 -5.916 656 HB2 GLU 87 1HB GLU 87 -9.376 -10.180 -5.058 657 HB3 GLU 87 2HB GLU 87 -9.206 -10.738 -6.716 658 HG2 GLU 87 1HG GLU 87 -11.861 -10.713 -5.330 659 HG3 GLU 87 2HG GLU 87 -11.221 -9.287 -6.145 660 H LEU 88 H LEU 88 -7.695 -11.735 -3.887 661 HA LEU 88 HA LEU 88 -5.580 -12.436 -5.549 662 HB2 LEU 88 1HB LEU 88 -4.186 -12.352 -3.612 663 HB3 LEU 88 2HB LEU 88 -5.409 -11.091 -3.477 664 HG LEU 88 HG LEU 88 -5.724 -13.738 -2.093 665 HD11 LEU 88 1HD1 LEU 88 -4.599 -12.977 -0.197 666 HD12 LEU 88 2HD1 LEU 88 -4.552 -11.312 -0.777 667 HD13 LEU 88 3HD1 LEU 88 -3.533 -12.538 -1.531 668 HD21 LEU 88 1HD2 LEU 88 -7.106 -11.146 -2.153 669 HD22 LEU 88 2HD2 LEU 88 -6.859 -11.825 -0.544 670 HD23 LEU 88 3HD2 LEU 88 -7.720 -12.755 -1.772 671 H MET 89 H MET 89 -7.366 -14.387 -3.207 672 HA MET 89 HA MET 89 -5.729 -16.675 -3.327 673 HB2 MET 89 1HB MET 89 -8.668 -16.394 -2.682 674 HB3 MET 89 2HB MET 89 -7.743 -17.872 -2.450 675 HG2 MET 89 1HG MET 89 -6.561 -17.020 -0.679 676 HG3 MET 89 2HG MET 89 -6.782 -15.350 -1.195 677 HE1 MET 89 1HE MET 89 -10.229 -17.231 -1.374 678 HE2 MET 89 2HE MET 89 -9.065 -18.371 -0.697 679 HE3 MET 89 3HE MET 89 -10.385 -17.759 0.302 680 H GLU 90 H GLU 90 -5.526 -18.244 -4.797 681 HA GLU 90 HA GLU 90 -7.231 -18.124 -7.173 682 HB2 GLU 90 1HB GLU 90 -4.608 -18.170 -7.143 683 HB3 GLU 90 2HB GLU 90 -4.834 -19.902 -6.941 684 HG2 GLU 90 1HG GLU 90 -4.563 -19.553 -9.243 685 HG3 GLU 90 2HG GLU 90 -6.287 -19.829 -9.000 686 H ALA 91 H ALA 91 -8.190 -19.999 -8.062 687 HA ALA 91 HA ALA 91 -8.890 -21.994 -6.034 688 HB1 ALA 91 1HB ALA 91 -10.192 -21.451 -8.700 689 HB2 ALA 91 2HB ALA 91 -10.792 -22.526 -7.436 690 HB3 ALA 91 3HB ALA 91 -10.721 -20.787 -7.153 691 H SER 92 H SER 92 -7.777 -23.825 -6.042 692 HA SER 92 HA SER 92 -7.495 -25.413 -8.389 693 HB2 SER 92 1HB SER 92 -5.090 -25.424 -8.602 694 HB3 SER 92 2HB SER 92 -5.644 -23.753 -8.713 695 HG SER 92 HG SER 92 -3.786 -24.191 -7.292 696 H GLU 93 H GLU 93 -6.420 -27.484 -7.940 697 HA GLU 93 HA GLU 93 -7.049 -28.368 -5.262 698 HB2 GLU 93 1HB GLU 93 -7.541 -29.638 -7.435 699 HB3 GLU 93 2HB GLU 93 -5.832 -30.050 -7.443 700 HG2 GLU 93 1HG GLU 93 -6.839 -31.881 -6.443 701 HG3 GLU 93 2HG GLU 93 -6.229 -30.945 -5.080 702 H HIS 94 H HIS 94 -5.626 -29.251 -3.775 703 HA HIS 94 HA HIS 94 -2.797 -28.577 -4.225 704 HB2 HIS 94 1HB HIS 94 -3.373 -27.358 -2.353 705 HB3 HIS 94 2HB HIS 94 -4.550 -28.549 -1.808 706 HD1 HIS 94 1HD HIS 94 -0.872 -27.802 -1.750 707 HD2 HIS 94 2HD HIS 94 -3.563 -30.506 -0.104 708 HE1 HIS 94 1HE HIS 94 0.413 -29.031 0.029 709 HE2 HIS 94 2HE HIS 94 -1.212 -30.719 0.953 710 H GLY 95 H GLY 95 -4.765 -30.956 -2.426 711 HA2 GLY 95 1HA GLY 95 -4.379 -33.332 -3.090 712 HA3 GLY 95 2HA GLY 95 -2.665 -32.950 -3.020 713 H GLY 96 H GLY 96 -2.111 -34.413 -1.445 714 HA2 GLY 96 1HA GLY 96 -3.568 -34.392 1.083 715 HA3 GLY 96 2HA GLY 96 -2.288 -35.506 0.628 716 H CYS 97 H CYS 97 -2.792 -33.690 3.014 717 HA CYS 97 HA CYS 97 -0.071 -32.603 3.102 718 HB2 CYS 97 1HB CYS 97 -2.036 -30.880 2.663 719 HB3 CYS 97 2HB CYS 97 -2.252 -31.031 4.403 720 HG CYS 97 HG CYS 97 -0.786 -28.750 4.094 721 H SER 98 H SER 98 0.824 -32.431 5.209 722 HA SER 98 HA SER 98 0.547 -34.518 6.892 723 HB2 SER 98 1HB SER 98 2.250 -32.622 7.009 724 HB3 SER 98 2HB SER 98 1.063 -31.747 7.976 725 HG SER 98 HG SER 98 1.275 -33.194 9.579 726 H THR 99 H THR 99 -1.056 -35.331 8.050 727 HA THR 99 HA THR 99 -2.994 -33.492 9.285 728 HB THR 99 HB THR 99 -4.068 -34.488 7.330 729 HG1 THR 99 1HG THR 99 -5.725 -35.746 8.664 730 HG21 THR 99 1HG2 THR 99 -2.666 -36.541 7.249 731 HG22 THR 99 2HG2 THR 99 -4.393 -36.870 7.111 732 HG23 THR 99 3HG2 THR 99 -3.559 -37.162 8.637 733 HA PRO 100 HA PRO 100 -2.089 -35.694 12.993 734 HB2 PRO 100 1HB PRO 100 -4.301 -35.029 14.420 735 HB3 PRO 100 2HB PRO 100 -2.986 -33.892 14.100 736 HG2 PRO 100 1HG PRO 100 -5.621 -34.183 12.708 737 HG3 PRO 100 2HG PRO 100 -4.776 -32.706 13.206 738 HD2 PRO 100 1HD PRO 100 -4.738 -33.616 10.656 739 HD3 PRO 100 2HD PRO 100 -3.372 -32.741 11.379 740 H GLY 101 H GLY 101 -4.348 -36.628 10.780 741 HA2 GLY 101 1HA GLY 101 -6.221 -38.244 11.786 742 HA3 GLY 101 2HA GLY 101 -5.204 -38.767 10.452 743 H SER 102 H SER 102 -2.764 -38.998 11.851 744 HA SER 102 HA SER 102 -1.653 -40.820 12.732 745 HB2 SER 102 1HB SER 102 -1.645 -40.726 15.079 746 HB3 SER 102 2HB SER 102 -2.179 -39.113 14.605 747 HG SER 102 HG SER 102 -4.382 -40.340 14.773 748 H GLY 103 H GLY 103 -3.442 -41.954 11.159 749 HA2 GLY 103 1HA GLY 103 -5.355 -43.615 12.447 750 HA3 GLY 103 2HA GLY 103 -4.762 -43.803 10.804 751 HA PRO 104 HA PRO 104 -2.175 -47.183 11.873 752 HB2 PRO 104 1HB PRO 104 0.342 -46.524 11.099 753 HB3 PRO 104 2HB PRO 104 -0.953 -46.883 9.951 754 HG2 PRO 104 1HG PRO 104 0.083 -44.228 10.868 755 HG3 PRO 104 2HG PRO 104 -0.352 -44.755 9.231 756 HD2 PRO 104 1HD PRO 104 -1.997 -43.243 10.760 757 HD3 PRO 104 2HD PRO 104 -2.605 -44.431 9.590 758 H SER 105 H SER 105 0.095 -47.778 12.915 759 HA SER 105 HA SER 105 0.073 -47.445 15.559 760 HB2 SER 105 1HB SER 105 2.582 -47.416 13.863 761 HB3 SER 105 2HB SER 105 2.535 -47.759 15.593 762 HG SER 105 HG SER 105 2.332 -49.512 13.745 763 H SER 106 H SER 106 -0.051 -45.760 16.868 764 HA SER 106 HA SER 106 1.803 -43.619 16.826 765 HB2 SER 106 1HB SER 106 0.025 -41.816 16.426 766 HB3 SER 106 2HB SER 106 0.613 -42.682 15.008 767 HG SER 106 HG SER 106 -1.567 -42.711 14.830 768 H GLY 107 H GLY 107 1.657 -42.300 18.666 769 HA2 GLY 107 1HA GLY 107 -0.534 -42.881 20.535 770 HA3 GLY 107 2HA GLY 107 1.120 -43.161 21.059
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