NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19900 | 2ewl | 6916 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 11.980 16.677 -11.622 2 1HA GLY 1 1HA GLY 1 9.282 15.642 -11.095 3 2HA GLY 1 2HA GLY 1 10.631 14.734 -11.819 4 H SER 2 H SER 2 10.226 13.222 -9.903 5 HA SER 2 HA SER 2 12.223 13.754 -7.958 6 1HB SER 2 1HB SER 2 10.173 14.749 -6.853 7 2HB SER 2 2HB SER 2 9.405 13.149 -6.949 8 HG SER 2 HG SER 2 10.509 13.599 -4.938 9 H HIS 3 H HIS 3 12.135 11.558 -6.519 10 HA HIS 3 HA HIS 3 11.747 9.269 -8.382 11 1HB HIS 3 1HB HIS 3 14.328 9.819 -6.875 12 2HB HIS 3 2HB HIS 3 14.008 8.511 -8.012 13 HD1 HIS 3 HD1 HIS 3 15.781 11.636 -7.962 14 HD2 HIS 3 HD2 HIS 3 13.091 9.790 -10.623 15 HE1 HIS 3 HE1 HIS 3 16.087 12.781 -10.233 16 H MET 4 H MET 4 10.385 7.978 -7.277 17 HA MET 4 HA MET 4 11.161 6.914 -4.708 18 1HB MET 4 1HB MET 4 9.649 9.047 -4.310 19 2HB MET 4 2HB MET 4 8.343 8.056 -4.925 20 1HG MET 4 1HG MET 4 8.295 7.875 -2.562 21 2HG MET 4 2HG MET 4 8.901 6.337 -3.165 22 1HE MET 4 1HE MET 4 11.617 9.518 -1.094 23 2HE MET 4 2HE MET 4 11.216 9.653 -2.815 24 3HE MET 4 3HE MET 4 9.934 9.823 -1.585 25 H ALA 5 H ALA 5 11.290 4.896 -5.625 26 HA ALA 5 HA ALA 5 9.103 3.800 -7.162 27 1HB ALA 5 1HB ALA 5 11.974 4.103 -8.174 28 2HB ALA 5 2HB ALA 5 10.655 3.333 -9.083 29 3HB ALA 5 3HB ALA 5 10.603 5.084 -8.748 30 H GLU 6 H GLU 6 10.304 3.172 -4.614 31 HA GLU 6 HA GLU 6 12.211 1.039 -5.088 32 1HB GLU 6 1HB GLU 6 11.033 2.161 -2.500 33 2HB GLU 6 2HB GLU 6 12.361 1.016 -2.584 34 1HG GLU 6 1HG GLU 6 13.354 3.176 -2.336 35 2HG GLU 6 2HG GLU 6 13.687 2.632 -3.968 36 HA PRO 7 HA PRO 7 9.469 -2.486 -4.470 37 1HB PRO 7 1HB PRO 7 11.076 -4.308 -3.256 38 2HB PRO 7 2HB PRO 7 11.279 -3.831 -4.966 39 1HG PRO 7 1HG PRO 7 12.786 -2.770 -2.557 40 2HG PRO 7 2HG PRO 7 13.462 -3.370 -4.108 41 1HD PRO 7 1HD PRO 7 13.072 -0.724 -3.632 42 2HD PRO 7 2HD PRO 7 12.798 -1.405 -5.254 43 H GLN 8 H GLN 8 8.708 -3.904 -2.562 44 HA GLN 8 HA GLN 8 7.260 -3.909 -1.018 45 1HB GLN 8 1HB GLN 8 9.655 -2.805 0.340 46 2HB GLN 8 2HB GLN 8 8.101 -2.774 1.182 47 1HG GLN 8 1HG GLN 8 9.313 -4.769 1.807 48 2HG GLN 8 2HG GLN 8 7.850 -5.193 0.927 49 1HE2 GLN 8 1HE2 GLN 8 10.991 -4.092 -0.503 50 2HE2 GLN 8 2HE2 GLN 8 11.352 -5.651 -1.242 51 H ARG 9 H ARG 9 8.534 -0.568 -0.607 52 HA ARG 9 HA ARG 9 6.142 0.633 0.187 53 1HB ARG 9 1HB ARG 9 8.485 1.571 0.283 54 2HB ARG 9 2HB ARG 9 8.311 2.029 -1.405 55 1HG ARG 9 1HG ARG 9 7.588 3.945 -0.428 56 2HG ARG 9 2HG ARG 9 6.070 3.041 -0.350 57 1HD ARG 9 1HD ARG 9 6.430 2.450 1.944 58 2HD ARG 9 2HD ARG 9 8.066 3.140 1.927 59 HE ARG 9 HE ARG 9 6.230 5.146 1.198 60 1HH1 ARG 9 1HH1 ARG 9 7.063 3.199 4.102 61 2HH1 ARG 9 2HH1 ARG 9 6.583 4.426 5.215 62 1HH2 ARG 9 1HH2 ARG 9 5.557 6.754 2.714 63 2HH2 ARG 9 2HH2 ARG 9 5.698 6.466 4.413 64 H HIS 10 H HIS 10 4.353 -0.021 -0.982 65 HA HIS 10 HA HIS 10 4.184 0.824 -3.855 66 1HB HIS 10 1HB HIS 10 3.177 -1.743 -2.573 67 2HB HIS 10 2HB HIS 10 2.856 -1.230 -4.228 68 HD1 HIS 10 HD1 HIS 10 4.652 -3.920 -3.146 69 HD2 HIS 10 HD2 HIS 10 6.114 -0.288 -4.592 70 HE1 HIS 10 HE1 HIS 10 6.886 -4.410 -4.109 71 H LYS 11 H LYS 11 2.404 1.971 -4.387 72 HA LYS 11 HA LYS 11 0.343 2.435 -2.308 73 1HB LYS 11 1HB LYS 11 1.229 4.015 -4.743 74 2HB LYS 11 2HB LYS 11 -0.112 4.432 -3.699 75 1HG LYS 11 1HG LYS 11 1.263 5.489 -2.254 76 2HG LYS 11 2HG LYS 11 2.112 3.983 -1.956 77 1HD LYS 11 1HD LYS 11 3.856 5.255 -2.672 78 2HD LYS 11 2HD LYS 11 3.394 4.563 -4.219 79 1HE LYS 11 1HE LYS 11 2.635 7.285 -3.091 80 2HE LYS 11 2HE LYS 11 3.833 6.994 -4.363 81 1HZ LYS 11 1HZ LYS 11 1.809 7.740 -5.334 82 2HZ LYS 11 2HZ LYS 11 0.885 6.679 -4.537 83 3HZ LYS 11 3HZ LYS 11 1.919 6.135 -5.708 84 H ILE 12 H ILE 12 -1.101 0.783 -2.576 85 HA ILE 12 HA ILE 12 -2.102 0.169 -5.324 86 HB ILE 12 HB ILE 12 -2.706 -1.251 -2.702 87 1HG1 ILE 12 1HG1 ILE 12 -0.742 -2.256 -4.802 88 2HG1 ILE 12 2HG1 ILE 12 -0.220 -1.368 -3.367 89 1HG2 ILE 12 1HG2 ILE 12 -3.563 -3.039 -4.191 90 2HG2 ILE 12 2HG2 ILE 12 -4.390 -1.525 -4.506 91 3HG2 ILE 12 3HG2 ILE 12 -3.124 -2.068 -5.618 92 1HD1 ILE 12 1HD1 ILE 12 -1.393 -3.025 -1.917 93 2HD1 ILE 12 2HD1 ILE 12 -1.663 -4.022 -3.372 94 3HD1 ILE 12 3HD1 ILE 12 -0.015 -3.662 -2.821 95 H LEU 13 H LEU 13 -3.656 1.897 -5.757 96 HA LEU 13 HA LEU 13 -5.251 2.648 -3.502 97 1HB LEU 13 1HB LEU 13 -5.866 4.523 -4.423 98 2HB LEU 13 2HB LEU 13 -4.166 4.338 -4.757 99 HG LEU 13 HG LEU 13 -4.604 4.030 -7.098 100 1HD1 LEU 13 1HD1 LEU 13 -7.464 3.829 -6.329 101 2HD1 LEU 13 2HD1 LEU 13 -6.575 3.098 -7.653 102 3HD1 LEU 13 3HD1 LEU 13 -7.090 4.782 -7.789 103 1HD2 LEU 13 1HD2 LEU 13 -5.622 6.466 -5.687 104 2HD2 LEU 13 2HD2 LEU 13 -5.418 6.378 -7.459 105 3HD2 LEU 13 3HD2 LEU 13 -4.048 6.122 -6.367 106 H CYS 14 H CYS 14 -7.032 2.080 -2.985 107 HA CYS 14 HA CYS 14 -8.930 0.783 -4.869 108 1HB CYS 14 1HB CYS 14 -7.809 -0.810 -3.196 109 2HB CYS 14 2HB CYS 14 -8.666 0.066 -1.915 110 HG CYS 14 HG CYS 14 -9.821 -1.601 -4.545 111 H VAL 15 H VAL 15 -11.035 0.828 -2.652 112 HA VAL 15 HA VAL 15 -11.348 3.735 -2.251 113 HB VAL 15 HB VAL 15 -13.730 3.558 -2.991 114 1HG1 VAL 15 1HG1 VAL 15 -11.687 3.098 -5.189 115 2HG1 VAL 15 2HG1 VAL 15 -13.288 3.857 -5.349 116 3HG1 VAL 15 3HG1 VAL 15 -12.052 4.651 -4.363 117 1HG2 VAL 15 1HG2 VAL 15 -12.884 0.970 -4.366 118 2HG2 VAL 15 2HG2 VAL 15 -13.982 1.084 -2.972 119 3HG2 VAL 15 3HG2 VAL 15 -14.440 1.807 -4.520 120 H CYS 16 H CYS 16 -12.911 4.316 -0.745 121 HA CYS 16 HA CYS 16 -13.521 2.502 1.429 122 1HB CYS 16 1HB CYS 16 -13.434 4.981 1.756 123 2HB CYS 16 2HB CYS 16 -14.789 5.149 0.619 124 H CYS 17 H CYS 17 -14.717 0.869 0.981 125 HA CYS 17 HA CYS 17 -16.290 0.293 -1.206 126 1HB CYS 17 1HB CYS 17 -15.323 -1.250 0.603 127 2HB CYS 17 2HB CYS 17 -16.769 -0.883 1.561 128 HG CYS 17 HG CYS 17 -18.374 -1.444 -0.583 129 H LYS 18 H LYS 18 -17.328 2.417 1.328 130 HA LYS 18 HA LYS 18 -20.164 2.091 0.524 131 1HB LYS 18 1HB LYS 18 -20.648 2.895 2.832 132 2HB LYS 18 2HB LYS 18 -19.958 1.274 2.659 133 1HG LYS 18 1HG LYS 18 -17.738 2.192 3.349 134 2HG LYS 18 2HG LYS 18 -18.479 3.781 3.556 135 1HD LYS 18 1HD LYS 18 -18.161 2.530 5.683 136 2HD LYS 18 2HD LYS 18 -19.850 2.959 5.379 137 1HE LYS 18 1HE LYS 18 -20.398 0.701 4.784 138 2HE LYS 18 2HE LYS 18 -18.695 0.239 4.621 139 1HZ LYS 18 1HZ LYS 18 -19.821 -0.492 6.722 140 2HZ LYS 18 2HZ LYS 18 -19.877 1.083 7.204 141 3HZ LYS 18 3HZ LYS 18 -18.443 0.387 6.971 142 H CYS 19 H CYS 19 -17.573 4.541 0.662 143 HA CYS 19 HA CYS 19 -19.615 6.398 -0.380 144 1HB CYS 19 1HB CYS 19 -18.397 8.136 0.551 145 2HB CYS 19 2HB CYS 19 -18.728 6.998 1.844 146 H ASP 20 H ASP 20 -17.187 4.394 -1.434 147 HA ASP 20 HA ASP 20 -15.909 4.189 -3.174 148 1HB ASP 20 1HB ASP 20 -18.049 4.727 -4.315 149 2HB ASP 20 2HB ASP 20 -17.499 6.398 -4.475 150 H GLY 21 H GLY 21 -15.177 6.261 -1.072 151 1HA GLY 21 1HA GLY 21 -13.734 8.310 -2.659 152 2HA GLY 21 2HA GLY 21 -13.669 8.237 -0.915 153 H ARG 22 H ARG 22 -11.498 8.502 -2.812 154 HA ARG 22 HA ARG 22 -10.381 6.092 -3.345 155 1HB ARG 22 1HB ARG 22 -10.145 8.254 -4.616 156 2HB ARG 22 2HB ARG 22 -9.152 8.915 -3.317 157 1HG ARG 22 1HG ARG 22 -7.933 7.930 -5.424 158 2HG ARG 22 2HG ARG 22 -7.316 7.452 -3.850 159 1HD ARG 22 1HD ARG 22 -7.506 5.726 -5.395 160 2HD ARG 22 2HD ARG 22 -8.256 5.358 -3.929 161 HE ARG 22 HE ARG 22 -10.033 4.727 -5.095 162 1HH1 ARG 22 1HH1 ARG 22 -8.554 7.157 -7.171 163 2HH1 ARG 22 2HH1 ARG 22 -9.871 7.242 -8.295 164 1HH2 ARG 22 1HH2 ARG 22 -11.896 4.962 -6.469 165 2HH2 ARG 22 2HH2 ARG 22 -11.804 5.917 -7.890 166 H ILE 23 H ILE 23 -9.262 4.710 -2.173 167 HA ILE 23 HA ILE 23 -7.695 5.815 0.071 168 HB ILE 23 HB ILE 23 -8.801 2.990 -0.234 169 1HG1 ILE 23 1HG1 ILE 23 -9.501 5.145 1.822 170 2HG1 ILE 23 2HG1 ILE 23 -10.521 4.685 0.458 171 1HG2 ILE 23 1HG2 ILE 23 -7.710 2.665 1.987 172 2HG2 ILE 23 2HG2 ILE 23 -6.538 3.084 0.751 173 3HG2 ILE 23 3HG2 ILE 23 -7.062 4.330 1.890 174 1HD1 ILE 23 1HD1 ILE 23 -10.535 2.306 1.363 175 2HD1 ILE 23 2HD1 ILE 23 -9.814 2.967 2.853 176 3HD1 ILE 23 3HD1 ILE 23 -11.400 3.530 2.304 177 H GLU 24 H GLU 24 -5.821 6.263 -0.948 178 HA GLU 24 HA GLU 24 -4.450 4.309 -2.632 179 1HB GLU 24 1HB GLU 24 -4.041 6.518 -3.197 180 2HB GLU 24 2HB GLU 24 -3.834 7.033 -1.542 181 1HG GLU 24 1HG GLU 24 -1.675 5.847 -1.406 182 2HG GLU 24 2HG GLU 24 -2.010 5.045 -2.943 183 H LEU 25 H LEU 25 -4.246 2.352 -1.580 184 HA LEU 25 HA LEU 25 -3.500 2.210 1.193 185 1HB LEU 25 1HB LEU 25 -3.249 -0.060 -0.797 186 2HB LEU 25 2HB LEU 25 -3.362 -0.163 0.928 187 HG LEU 25 HG LEU 25 -5.662 0.921 -0.756 188 1HD1 LEU 25 1HD1 LEU 25 -5.153 -1.977 0.049 189 2HD1 LEU 25 2HD1 LEU 25 -5.139 -1.321 -1.600 190 3HD1 LEU 25 3HD1 LEU 25 -6.646 -1.340 -0.677 191 1HD2 LEU 25 1HD2 LEU 25 -7.003 0.325 1.185 192 2HD2 LEU 25 2HD2 LEU 25 -5.620 1.272 1.780 193 3HD2 LEU 25 3HD2 LEU 25 -5.623 -0.485 1.960 194 H THR 26 H THR 26 -1.676 3.601 1.138 195 HA THR 26 HA THR 26 0.819 2.820 -0.181 196 HB THR 26 HB THR 26 0.344 4.620 2.234 197 HG1 THR 26 HG1 THR 26 -0.630 5.329 0.276 198 1HG2 THR 26 1HG2 THR 26 2.773 4.302 0.397 199 2HG2 THR 26 2HG2 THR 26 2.698 3.847 2.113 200 3HG2 THR 26 3HG2 THR 26 2.577 5.551 1.647 201 H VAL 27 H VAL 27 1.429 0.753 0.213 202 HA VAL 27 HA VAL 27 1.690 -0.119 3.048 203 HB VAL 27 HB VAL 27 1.384 -2.425 2.235 204 1HG1 VAL 27 1HG1 VAL 27 -0.522 -1.156 3.184 205 2HG1 VAL 27 2HG1 VAL 27 -0.995 -0.656 1.547 206 3HG1 VAL 27 3HG1 VAL 27 -1.035 -2.371 1.999 207 1HG2 VAL 27 1HG2 VAL 27 0.447 -1.250 -0.420 208 2HG2 VAL 27 2HG2 VAL 27 1.996 -2.087 -0.176 209 3HG2 VAL 27 3HG2 VAL 27 0.476 -2.959 0.057 210 H GLU 28 H GLU 28 3.446 -1.937 3.119 211 HA GLU 28 HA GLU 28 5.561 -1.458 1.128 212 1HB GLU 28 1HB GLU 28 5.829 -1.516 4.070 213 2HB GLU 28 2HB GLU 28 7.104 -2.266 3.108 214 1HG GLU 28 1HG GLU 28 7.496 -0.206 1.913 215 2HG GLU 28 2HG GLU 28 6.041 0.524 2.610 216 H SER 29 H SER 29 4.885 -3.232 -0.129 217 HA SER 29 HA SER 29 4.581 -5.884 1.247 218 1HB SER 29 1HB SER 29 2.755 -4.433 -0.668 219 2HB SER 29 2HB SER 29 2.815 -6.208 -0.592 220 HG SER 29 HG SER 29 1.859 -6.302 1.224 221 H SER 30 H SER 30 5.621 -7.440 0.201 222 HA SER 30 HA SER 30 7.335 -6.927 -2.080 223 1HB SER 30 1HB SER 30 6.360 -9.625 -1.000 224 2HB SER 30 2HB SER 30 7.840 -9.313 -1.930 225 HG SER 30 HG SER 30 8.493 -7.920 -0.131 226 H ALA 31 H ALA 31 7.125 -8.132 -4.181 227 HA ALA 31 HA ALA 31 4.823 -7.460 -5.538 228 1HB ALA 31 1HB ALA 31 5.614 -9.003 -7.312 229 2HB ALA 31 2HB ALA 31 6.967 -8.069 -6.635 230 3HB ALA 31 3HB ALA 31 6.724 -9.773 -6.168 231 H GLU 32 H GLU 32 5.534 -10.640 -4.040 232 HA GLU 32 HA GLU 32 3.194 -11.836 -5.145 233 1HB GLU 32 1HB GLU 32 5.532 -12.772 -4.117 234 2HB GLU 32 2HB GLU 32 4.461 -13.043 -2.727 235 1HG GLU 32 1HG GLU 32 2.856 -14.198 -4.293 236 2HG GLU 32 2HG GLU 32 3.977 -13.935 -5.620 237 H ASP 33 H ASP 33 3.834 -10.205 -2.035 238 HA ASP 33 HA ASP 33 1.337 -10.920 -0.799 239 1HB ASP 33 1HB ASP 33 3.213 -10.167 0.563 240 2HB ASP 33 2HB ASP 33 3.268 -8.624 -0.296 241 H LEU 34 H LEU 34 2.594 -8.205 -2.730 242 HA LEU 34 HA LEU 34 0.220 -6.606 -2.768 243 1HB LEU 34 1HB LEU 34 2.336 -5.702 -3.414 244 2HB LEU 34 2HB LEU 34 2.537 -6.842 -4.733 245 HG LEU 34 HG LEU 34 0.080 -5.085 -4.803 246 1HD1 LEU 34 1HD1 LEU 34 1.357 -3.231 -5.818 247 2HD1 LEU 34 2HD1 LEU 34 2.881 -4.096 -5.528 248 3HD1 LEU 34 3HD1 LEU 34 1.903 -3.525 -4.162 249 1HD2 LEU 34 1HD2 LEU 34 0.427 -6.692 -6.658 250 2HD2 LEU 34 2HD2 LEU 34 2.034 -6.011 -6.963 251 3HD2 LEU 34 3HD2 LEU 34 0.574 -5.038 -7.233 252 H ARG 35 H ARG 35 1.348 -9.214 -4.929 253 HA ARG 35 HA ARG 35 -0.848 -9.192 -6.742 254 1HB ARG 35 1HB ARG 35 1.346 -10.383 -7.076 255 2HB ARG 35 2HB ARG 35 0.857 -11.558 -5.861 256 1HG ARG 35 1HG ARG 35 -1.114 -12.180 -7.269 257 2HG ARG 35 2HG ARG 35 -0.511 -11.079 -8.530 258 1HD ARG 35 1HD ARG 35 1.586 -12.389 -8.659 259 2HD ARG 35 2HD ARG 35 1.020 -13.431 -7.334 260 HE ARG 35 HE ARG 35 -0.850 -13.351 -9.518 261 1HH1 ARG 35 1HH1 ARG 35 2.155 -14.893 -8.462 262 2HH1 ARG 35 2HH1 ARG 35 1.968 -16.306 -9.435 263 1HH2 ARG 35 1HH2 ARG 35 -1.131 -15.230 -10.830 264 2HH2 ARG 35 2HH2 ARG 35 0.047 -16.489 -10.819 265 H THR 36 H THR 36 -0.210 -11.214 -3.855 266 HA THR 36 HA THR 36 -2.597 -12.711 -3.958 267 HB THR 36 HB THR 36 -0.980 -11.943 -1.495 268 HG1 THR 36 HG1 THR 36 0.399 -12.864 -2.925 269 1HG2 THR 36 1HG2 THR 36 -2.767 -14.358 -2.050 270 2HG2 THR 36 2HG2 THR 36 -3.115 -13.047 -0.897 271 3HG2 THR 36 3HG2 THR 36 -1.744 -14.132 -0.615 272 H LEU 37 H LEU 37 -1.899 -9.698 -2.044 273 HA LEU 37 HA LEU 37 -4.614 -9.575 -1.109 274 1HB LEU 37 1HB LEU 37 -4.074 -7.694 0.040 275 2HB LEU 37 2HB LEU 37 -2.549 -8.536 -0.058 276 HG LEU 37 HG LEU 37 -2.178 -6.923 -2.183 277 1HD1 LEU 37 1HD1 LEU 37 -3.157 -4.666 -1.716 278 2HD1 LEU 37 2HD1 LEU 37 -4.128 -5.359 -0.416 279 3HD1 LEU 37 3HD1 LEU 37 -4.416 -5.830 -2.101 280 1HD2 LEU 37 1HD2 LEU 37 -1.921 -6.000 0.712 281 2HD2 LEU 37 2HD2 LEU 37 -1.035 -5.335 -0.679 282 3HD2 LEU 37 3HD2 LEU 37 -0.755 -7.002 -0.168 283 H GLN 38 H GLN 38 -3.041 -8.453 -4.100 284 HA GLN 38 HA GLN 38 -5.110 -6.805 -5.056 285 1HB GLN 38 1HB GLN 38 -2.792 -7.897 -6.262 286 2HB GLN 38 2HB GLN 38 -4.083 -8.686 -7.101 287 1HG GLN 38 1HG GLN 38 -3.669 -6.809 -8.330 288 2HG GLN 38 2HG GLN 38 -5.169 -6.477 -7.472 289 1HE2 GLN 38 1HE2 GLN 38 -2.207 -6.213 -5.429 290 2HE2 GLN 38 2HE2 GLN 38 -2.195 -4.457 -5.525 291 H GLN 39 H GLN 39 -4.659 -10.377 -5.215 292 HA GLN 39 HA GLN 39 -6.960 -10.887 -6.770 293 1HB GLN 39 1HB GLN 39 -5.902 -12.835 -4.761 294 2HB GLN 39 2HB GLN 39 -6.822 -13.132 -6.242 295 1HG GLN 39 1HG GLN 39 -3.945 -12.427 -5.906 296 2HG GLN 39 2HG GLN 39 -4.659 -13.827 -6.688 297 1HE2 GLN 39 1HE2 GLN 39 -3.243 -10.823 -7.197 298 2HE2 GLN 39 2HE2 GLN 39 -3.590 -10.686 -8.927 299 H LEU 40 H LEU 40 -6.410 -10.799 -3.227 300 HA LEU 40 HA LEU 40 -9.038 -11.585 -2.427 301 1HB LEU 40 1HB LEU 40 -7.006 -9.816 -1.011 302 2HB LEU 40 2HB LEU 40 -8.484 -10.410 -0.267 303 HG LEU 40 HG LEU 40 -6.267 -12.208 -1.346 304 1HD1 LEU 40 1HD1 LEU 40 -5.541 -10.889 0.611 305 2HD1 LEU 40 2HD1 LEU 40 -5.723 -12.599 1.020 306 3HD1 LEU 40 3HD1 LEU 40 -6.969 -11.433 1.518 307 1HD2 LEU 40 1HD2 LEU 40 -8.776 -12.846 0.273 308 2HD2 LEU 40 2HD2 LEU 40 -7.445 -13.981 -0.037 309 3HD2 LEU 40 3HD2 LEU 40 -8.412 -13.386 -1.383 310 H PHE 41 H PHE 41 -7.696 -8.258 -2.931 311 HA PHE 41 HA PHE 41 -10.215 -6.982 -2.351 312 1HB PHE 41 1HB PHE 41 -7.613 -6.105 -3.578 313 2HB PHE 41 2HB PHE 41 -9.029 -5.112 -3.813 314 HD1 PHE 41 HD1 PHE 41 -6.739 -6.440 -1.150 315 HD2 PHE 41 HD2 PHE 41 -9.990 -3.753 -2.069 316 HE1 PHE 41 HE1 PHE 41 -6.308 -5.206 0.928 317 HE2 PHE 41 HE2 PHE 41 -9.513 -2.494 -0.000 318 HZ PHE 41 HZ PHE 41 -7.648 -3.200 1.490 319 H LEU 42 H LEU 42 -8.786 -8.241 -5.371 320 HA LEU 42 HA LEU 42 -10.832 -7.270 -7.129 321 1HB LEU 42 1HB LEU 42 -8.646 -7.989 -7.856 322 2HB LEU 42 2HB LEU 42 -8.894 -9.624 -7.273 323 HG LEU 42 HG LEU 42 -10.774 -8.530 -9.377 324 1HD1 LEU 42 1HD1 LEU 42 -8.526 -7.952 -10.194 325 2HD1 LEU 42 2HD1 LEU 42 -9.203 -9.284 -11.138 326 3HD1 LEU 42 3HD1 LEU 42 -7.968 -9.615 -9.902 327 1HD2 LEU 42 1HD2 LEU 42 -9.571 -11.306 -8.862 328 2HD2 LEU 42 2HD2 LEU 42 -10.715 -10.900 -10.160 329 3HD2 LEU 42 3HD2 LEU 42 -11.233 -10.814 -8.483 330 H SER 43 H SER 43 -10.515 -10.232 -5.169 331 HA SER 43 HA SER 43 -12.815 -11.571 -6.175 332 1HB SER 43 1HB SER 43 -11.025 -12.778 -5.081 333 2HB SER 43 2HB SER 43 -11.149 -11.794 -3.632 334 HG SER 43 HG SER 43 -12.978 -13.735 -4.552 335 H THR 44 H THR 44 -12.322 -10.075 -2.960 336 HA THR 44 HA THR 44 -15.163 -9.607 -2.656 337 HB THR 44 HB THR 44 -14.840 -11.119 -0.463 338 HG1 THR 44 HG1 THR 44 -13.105 -12.455 -2.289 339 1HG2 THR 44 1HG2 THR 44 -15.743 -13.045 -1.577 340 2HG2 THR 44 2HG2 THR 44 -15.229 -12.438 -3.166 341 3HG2 THR 44 3HG2 THR 44 -16.478 -11.569 -2.246 342 H LEU 45 H LEU 45 -11.931 -9.388 -1.277 343 HA LEU 45 HA LEU 45 -12.725 -8.017 1.131 344 1HB LEU 45 1HB LEU 45 -10.584 -9.236 0.859 345 2HB LEU 45 2HB LEU 45 -10.065 -8.061 -0.347 346 HG LEU 45 HG LEU 45 -9.993 -6.280 1.344 347 1HD1 LEU 45 1HD1 LEU 45 -11.733 -7.027 2.938 348 2HD1 LEU 45 2HD1 LEU 45 -10.187 -6.853 3.763 349 3HD1 LEU 45 3HD1 LEU 45 -10.777 -8.471 3.328 350 1HD2 LEU 45 1HD2 LEU 45 -8.045 -7.125 2.568 351 2HD2 LEU 45 2HD2 LEU 45 -8.011 -7.712 0.898 352 3HD2 LEU 45 3HD2 LEU 45 -8.508 -8.803 2.206 353 H SER 46 H SER 46 -12.657 -5.725 1.621 354 HA SER 46 HA SER 46 -11.624 -3.825 -0.182 355 1HB SER 46 1HB SER 46 -14.656 -4.002 0.076 356 2HB SER 46 2HB SER 46 -13.802 -2.511 -0.387 357 HG SER 46 HG SER 46 -13.152 -4.894 -1.730 358 H PHE 47 H PHE 47 -12.116 -1.530 0.905 359 HA PHE 47 HA PHE 47 -11.835 -1.878 3.825 360 1HB PHE 47 1HB PHE 47 -10.068 -0.624 1.707 361 2HB PHE 47 2HB PHE 47 -10.228 0.204 3.228 362 HD1 PHE 47 HD1 PHE 47 -10.181 -3.563 3.290 363 HD2 PHE 47 HD2 PHE 47 -7.855 0.069 3.550 364 HE1 PHE 47 HE1 PHE 47 -8.364 -4.801 4.360 365 HE2 PHE 47 HE2 PHE 47 -6.020 -1.202 4.617 366 HZ PHE 47 HZ PHE 47 -6.272 -3.640 5.036 367 H VAL 48 H VAL 48 -11.996 0.483 4.795 368 HA VAL 48 HA VAL 48 -13.895 2.148 3.424 369 HB VAL 48 HB VAL 48 -15.017 2.449 5.589 370 1HG1 VAL 48 1HG1 VAL 48 -15.932 0.984 3.751 371 2HG1 VAL 48 2HG1 VAL 48 -15.232 -0.416 4.571 372 3HG1 VAL 48 3HG1 VAL 48 -16.496 0.529 5.375 373 1HG2 VAL 48 1HG2 VAL 48 -13.694 -0.126 6.494 374 2HG2 VAL 48 2HG2 VAL 48 -13.341 1.496 7.132 375 3HG2 VAL 48 3HG2 VAL 48 -14.950 0.791 7.349 376 H CYS 49 H CYS 49 -13.666 4.373 4.059 377 HA CYS 49 HA CYS 49 -10.946 5.059 4.867 378 1HB CYS 49 1HB CYS 49 -11.726 7.375 4.462 379 2HB CYS 49 2HB CYS 49 -12.040 6.317 3.099 380 HA PRO 50 HA PRO 50 -11.668 5.409 9.132 381 1HB PRO 50 1HB PRO 50 -10.375 7.719 9.968 382 2HB PRO 50 2HB PRO 50 -9.582 6.174 9.540 383 1HG PRO 50 1HG PRO 50 -9.993 8.611 7.787 384 2HG PRO 50 2HG PRO 50 -8.505 7.631 7.999 385 1HD PRO 50 1HD PRO 50 -10.124 7.252 5.875 386 2HD PRO 50 2HD PRO 50 -9.393 5.847 6.704 387 H TRP 51 H TRP 51 -12.658 8.288 7.305 388 HA TRP 51 HA TRP 51 -14.394 9.444 9.248 389 1HB TRP 51 1HB TRP 51 -13.828 10.654 7.234 390 2HB TRP 51 2HB TRP 51 -14.487 9.378 6.213 391 HD1 TRP 51 HD1 TRP 51 -15.831 11.790 8.941 392 HE1 TRP 51 HE1 TRP 51 -18.263 12.419 8.374 393 HE3 TRP 51 HE3 TRP 51 -16.393 9.128 4.597 394 HZ2 TRP 51 HZ2 TRP 51 -20.196 11.832 6.329 395 HZ3 TRP 51 HZ3 TRP 51 -18.539 9.180 3.371 396 HH2 TRP 51 HH2 TRP 51 -20.449 10.516 4.229 397 H CYS 52 H CYS 52 -15.185 7.137 6.550 398 HA CYS 52 HA CYS 52 -17.811 6.576 7.475 399 1HB CYS 52 1HB CYS 52 -15.906 4.895 5.808 400 2HB CYS 52 2HB CYS 52 -17.605 4.523 6.120 401 H ALA 53 H ALA 53 -14.661 4.936 8.193 402 HA ALA 53 HA ALA 53 -15.761 2.841 9.752 403 1HB ALA 53 1HB ALA 53 -13.364 3.028 8.975 404 2HB ALA 53 2HB ALA 53 -13.105 4.231 10.264 405 3HB ALA 53 3HB ALA 53 -13.550 2.571 10.681 406 H THR 54 H THR 54 -15.139 6.226 10.648 407 HA THR 54 HA THR 54 -15.697 5.803 13.478 408 HB THR 54 HB THR 54 -15.587 8.389 11.862 409 HG1 THR 54 HG1 THR 54 -13.639 7.344 11.616 410 1HG2 THR 54 1HG2 THR 54 -16.552 8.732 14.099 411 2HG2 THR 54 2HG2 THR 54 -14.916 9.404 14.025 412 3HG2 THR 54 3HG2 THR 54 -15.196 7.848 14.837 413 H ASN 55 H ASN 55 -17.559 6.772 10.598 414 HA ASN 55 HA ASN 55 -19.836 7.728 12.190 415 1HB ASN 55 1HB ASN 55 -19.331 7.476 9.198 416 2HB ASN 55 2HB ASN 55 -20.914 7.880 9.853 417 1HD2 ASN 55 1HD2 ASN 55 -17.471 8.976 10.011 418 2HD2 ASN 55 2HD2 ASN 55 -17.927 10.650 10.330 419 H GLN 56 H GLN 56 -19.256 5.049 9.950 420 HA GLN 56 HA GLN 56 -19.950 2.797 10.828 421 1HB GLN 56 1HB GLN 56 -22.041 3.528 11.814 422 2HB GLN 56 2HB GLN 56 -22.635 4.076 10.227 423 1HG GLN 56 1HG GLN 56 -22.696 1.762 9.433 424 2HG GLN 56 2HG GLN 56 -21.867 1.190 10.887 425 1HE2 GLN 56 1HE2 GLN 56 -23.184 2.140 13.035 426 2HE2 GLN 56 2HE2 GLN 56 -24.886 1.693 12.947 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 18.623 4.668 1.306 2 1HA GLY 1 1HA GLY 1 18.127 6.272 3.076 3 2HA GLY 1 2HA GLY 1 18.152 7.013 1.453 4 H SER 2 H SER 2 16.245 7.857 0.606 5 HA SER 2 HA SER 2 13.635 7.097 1.724 6 1HB SER 2 1HB SER 2 13.928 9.214 0.387 7 2HB SER 2 2HB SER 2 14.369 8.219 -1.018 8 HG SER 2 HG SER 2 12.119 8.788 -0.914 9 H HIS 3 H HIS 3 12.336 5.598 0.297 10 HA HIS 3 HA HIS 3 13.869 3.544 -1.172 11 1HB HIS 3 1HB HIS 3 12.381 3.062 1.438 12 2HB HIS 3 2HB HIS 3 12.707 1.791 0.257 13 HD1 HIS 3 HD1 HIS 3 15.399 1.436 -0.373 14 HD2 HIS 3 HD2 HIS 3 14.407 3.604 3.117 15 HE1 HIS 3 HE1 HIS 3 17.478 1.408 1.135 16 H MET 4 H MET 4 12.804 3.905 -3.004 17 HA MET 4 HA MET 4 10.101 2.971 -3.218 18 1HB MET 4 1HB MET 4 9.904 5.505 -2.724 19 2HB MET 4 2HB MET 4 10.573 5.765 -4.337 20 1HG MET 4 1HG MET 4 8.675 4.582 -5.343 21 2HG MET 4 2HG MET 4 8.131 4.032 -3.764 22 1HE MET 4 1HE MET 4 9.274 7.632 -5.094 23 2HE MET 4 2HE MET 4 8.261 6.890 -6.353 24 3HE MET 4 3HE MET 4 7.672 8.309 -5.458 25 H ALA 5 H ALA 5 12.648 1.991 -3.953 26 HA ALA 5 HA ALA 5 12.499 1.889 -6.835 27 1HB ALA 5 1HB ALA 5 15.068 2.392 -5.261 28 2HB ALA 5 2HB ALA 5 14.969 2.113 -7.013 29 3HB ALA 5 3HB ALA 5 14.255 3.579 -6.314 30 H GLU 6 H GLU 6 11.588 0.229 -4.679 31 HA GLU 6 HA GLU 6 13.158 -2.261 -5.027 32 1HB GLU 6 1HB GLU 6 11.932 -1.203 -2.421 33 2HB GLU 6 2HB GLU 6 12.738 -2.740 -2.648 34 1HG GLU 6 1HG GLU 6 14.409 -1.568 -1.660 35 2HG GLU 6 2HG GLU 6 14.829 -1.347 -3.350 36 HA PRO 7 HA PRO 7 8.923 -3.805 -5.631 37 1HB PRO 7 1HB PRO 7 9.217 -6.482 -5.329 38 2HB PRO 7 2HB PRO 7 10.043 -5.598 -6.641 39 1HG PRO 7 1HG PRO 7 11.197 -6.362 -3.933 40 2HG PRO 7 2HG PRO 7 11.885 -6.697 -5.556 41 1HD PRO 7 1HD PRO 7 12.638 -4.528 -4.072 42 2HD PRO 7 2HD PRO 7 12.519 -4.447 -5.856 43 H GLN 8 H GLN 8 9.053 -2.440 -3.411 44 HA GLN 8 HA GLN 8 7.860 -4.053 -1.225 45 1HB GLN 8 1HB GLN 8 10.478 -3.554 -1.103 46 2HB GLN 8 2HB GLN 8 9.963 -1.965 -0.563 47 1HG GLN 8 1HG GLN 8 10.326 -3.314 1.377 48 2HG GLN 8 2HG GLN 8 8.579 -3.134 1.228 49 1HE2 GLN 8 1HE2 GLN 8 7.414 -5.053 1.397 50 2HE2 GLN 8 2HE2 GLN 8 8.071 -6.642 0.966 51 H ARG 9 H ARG 9 8.864 -0.595 -1.385 52 HA ARG 9 HA ARG 9 6.494 0.448 -0.483 53 1HB ARG 9 1HB ARG 9 8.915 1.497 -1.004 54 2HB ARG 9 2HB ARG 9 8.055 2.183 -2.371 55 1HG ARG 9 1HG ARG 9 6.389 2.550 -0.112 56 2HG ARG 9 2HG ARG 9 8.048 2.784 0.441 57 1HD ARG 9 1HD ARG 9 8.371 4.508 -1.300 58 2HD ARG 9 2HD ARG 9 6.644 4.340 -1.723 59 HE ARG 9 HE ARG 9 7.136 4.665 1.106 60 1HH1 ARG 9 1HH1 ARG 9 6.874 6.554 -1.879 61 2HH1 ARG 9 2HH1 ARG 9 6.337 8.010 -1.109 62 1HH2 ARG 9 1HH2 ARG 9 6.427 6.568 2.152 63 2HH2 ARG 9 2HH2 ARG 9 6.086 8.019 1.273 64 H HIS 10 H HIS 10 4.556 0.051 -1.267 65 HA HIS 10 HA HIS 10 4.027 0.344 -4.199 66 1HB HIS 10 1HB HIS 10 2.992 -1.798 -2.299 67 2HB HIS 10 2HB HIS 10 2.425 -1.547 -3.950 68 HD1 HIS 10 HD1 HIS 10 4.104 -4.229 -2.687 69 HD2 HIS 10 HD2 HIS 10 5.648 -1.115 -4.987 70 HE1 HIS 10 HE1 HIS 10 6.031 -5.176 -3.883 71 H LYS 11 H LYS 11 1.870 1.075 -4.717 72 HA LYS 11 HA LYS 11 0.444 2.351 -2.439 73 1HB LYS 11 1HB LYS 11 0.940 3.587 -5.169 74 2HB LYS 11 2HB LYS 11 0.001 4.279 -3.834 75 1HG LYS 11 1HG LYS 11 2.169 4.064 -2.430 76 2HG LYS 11 2HG LYS 11 3.012 3.816 -3.963 77 1HD LYS 11 1HD LYS 11 1.302 6.216 -3.193 78 2HD LYS 11 2HD LYS 11 3.068 6.174 -3.190 79 1HE LYS 11 1HE LYS 11 3.213 6.058 -5.562 80 2HE LYS 11 2HE LYS 11 1.520 5.552 -5.718 81 1HZ LYS 11 1HZ LYS 11 1.746 7.850 -6.313 82 2HZ LYS 11 2HZ LYS 11 2.337 8.227 -4.808 83 3HZ LYS 11 3HZ LYS 11 0.797 7.657 -4.980 84 H ILE 12 H ILE 12 -1.183 0.992 -2.198 85 HA ILE 12 HA ILE 12 -2.520 -0.120 -4.607 86 HB ILE 12 HB ILE 12 -2.753 -0.864 -1.680 87 1HG1 ILE 12 1HG1 ILE 12 -1.443 -2.622 -3.713 88 2HG1 ILE 12 2HG1 ILE 12 -0.487 -1.346 -2.985 89 1HG2 ILE 12 1HG2 ILE 12 -3.943 -2.881 -2.556 90 2HG2 ILE 12 2HG2 ILE 12 -4.805 -1.398 -2.939 91 3HG2 ILE 12 3HG2 ILE 12 -3.849 -2.200 -4.197 92 1HD1 ILE 12 1HD1 ILE 12 -0.247 -3.426 -1.701 93 2HD1 ILE 12 2HD1 ILE 12 -0.960 -2.116 -0.737 94 3HD1 ILE 12 3HD1 ILE 12 -1.989 -3.403 -1.341 95 H LEU 13 H LEU 13 -3.864 1.512 -5.289 96 HA LEU 13 HA LEU 13 -5.619 2.980 -3.557 97 1HB LEU 13 1HB LEU 13 -4.877 3.733 -5.784 98 2HB LEU 13 2HB LEU 13 -5.871 2.492 -6.544 99 HG LEU 13 HG LEU 13 -7.180 4.360 -4.535 100 1HD1 LEU 13 1HD1 LEU 13 -6.384 5.110 -7.361 101 2HD1 LEU 13 2HD1 LEU 13 -5.824 5.859 -5.849 102 3HD1 LEU 13 3HD1 LEU 13 -7.523 6.027 -6.353 103 1HD2 LEU 13 1HD2 LEU 13 -8.133 3.158 -7.185 104 2HD2 LEU 13 2HD2 LEU 13 -9.096 4.210 -6.129 105 3HD2 LEU 13 3HD2 LEU 13 -8.606 2.621 -5.563 106 H CYS 14 H CYS 14 -6.820 1.776 -2.244 107 HA CYS 14 HA CYS 14 -8.758 -0.109 -3.564 108 1HB CYS 14 1HB CYS 14 -9.296 -0.991 -1.416 109 2HB CYS 14 2HB CYS 14 -7.532 -1.028 -1.602 110 HG CYS 14 HG CYS 14 -7.205 1.320 -0.335 111 H VAL 15 H VAL 15 -11.002 0.202 -1.959 112 HA VAL 15 HA VAL 15 -11.569 3.084 -1.916 113 HB VAL 15 HB VAL 15 -13.836 2.668 -2.819 114 1HG1 VAL 15 1HG1 VAL 15 -13.215 2.659 -5.172 115 2HG1 VAL 15 2HG1 VAL 15 -12.091 3.647 -4.239 116 3HG1 VAL 15 3HG1 VAL 15 -11.600 2.025 -4.784 117 1HG2 VAL 15 1HG2 VAL 15 -14.333 0.691 -4.150 118 2HG2 VAL 15 2HG2 VAL 15 -12.764 -0.034 -3.752 119 3HG2 VAL 15 3HG2 VAL 15 -13.990 0.209 -2.486 120 H CYS 16 H CYS 16 -13.042 3.716 -0.503 121 HA CYS 16 HA CYS 16 -13.769 2.146 1.826 122 1HB CYS 16 1HB CYS 16 -13.436 4.646 1.853 123 2HB CYS 16 2HB CYS 16 -14.827 4.784 0.765 124 H CYS 17 H CYS 17 -15.122 0.508 1.423 125 HA CYS 17 HA CYS 17 -16.807 0.149 -0.762 126 1HB CYS 17 1HB CYS 17 -15.827 -1.549 0.917 127 2HB CYS 17 2HB CYS 17 -17.221 -1.168 1.947 128 HG CYS 17 HG CYS 17 -18.932 -1.505 -0.139 129 H LYS 18 H LYS 18 -17.535 2.303 1.851 130 HA LYS 18 HA LYS 18 -20.428 2.103 1.260 131 1HB LYS 18 1HB LYS 18 -20.753 3.106 3.446 132 2HB LYS 18 2HB LYS 18 -20.049 1.477 3.456 133 1HG LYS 18 1HG LYS 18 -17.902 2.347 4.137 134 2HG LYS 18 2HG LYS 18 -18.448 4.018 3.896 135 1HD LYS 18 1HD LYS 18 -18.438 3.423 6.268 136 2HD LYS 18 2HD LYS 18 -20.073 3.806 5.719 137 1HE LYS 18 1HE LYS 18 -20.506 1.335 5.487 138 2HE LYS 18 2HE LYS 18 -18.926 1.015 6.216 139 1HZ LYS 18 1HZ LYS 18 -19.710 1.994 8.265 140 2HZ LYS 18 2HZ LYS 18 -20.880 0.980 7.757 141 3HZ LYS 18 3HZ LYS 18 -21.073 2.593 7.550 142 H CYS 19 H CYS 19 -17.692 4.358 0.924 143 HA CYS 19 HA CYS 19 -19.710 6.276 -0.074 144 1HB CYS 19 1HB CYS 19 -18.235 7.983 0.495 145 2HB CYS 19 2HB CYS 19 -18.520 7.032 1.941 146 H ASP 20 H ASP 20 -17.523 3.981 -1.117 147 HA ASP 20 HA ASP 20 -16.242 3.557 -2.813 148 1HB ASP 20 1HB ASP 20 -18.406 3.873 -4.009 149 2HB ASP 20 2HB ASP 20 -17.882 5.508 -4.418 150 H GLY 21 H GLY 21 -15.498 5.736 -1.003 151 1HA GLY 21 1HA GLY 21 -14.033 7.672 -2.678 152 2HA GLY 21 2HA GLY 21 -13.977 7.631 -0.919 153 H ARG 22 H ARG 22 -11.987 7.692 -3.008 154 HA ARG 22 HA ARG 22 -10.729 5.081 -3.165 155 1HB ARG 22 1HB ARG 22 -9.213 6.090 -4.676 156 2HB ARG 22 2HB ARG 22 -10.811 6.748 -4.991 157 1HG ARG 22 1HG ARG 22 -9.631 8.685 -5.139 158 2HG ARG 22 2HG ARG 22 -9.934 8.737 -3.396 159 1HD ARG 22 1HD ARG 22 -7.677 7.656 -3.048 160 2HD ARG 22 2HD ARG 22 -7.456 7.667 -4.804 161 HE ARG 22 HE ARG 22 -8.003 10.285 -3.654 162 1HH1 ARG 22 1HH1 ARG 22 -5.531 7.927 -4.464 163 2HH1 ARG 22 2HH1 ARG 22 -4.148 8.920 -4.219 164 1HH2 ARG 22 1HH2 ARG 22 -6.185 11.823 -3.527 165 2HH2 ARG 22 2HH2 ARG 22 -4.584 11.228 -3.835 166 H ILE 23 H ILE 23 -8.994 4.255 -2.048 167 HA ILE 23 HA ILE 23 -7.670 6.059 -0.085 168 HB ILE 23 HB ILE 23 -8.385 3.168 0.360 169 1HG1 ILE 23 1HG1 ILE 23 -9.891 5.502 1.575 170 2HG1 ILE 23 2HG1 ILE 23 -10.492 4.459 0.283 171 1HG2 ILE 23 1HG2 ILE 23 -6.389 4.156 1.553 172 2HG2 ILE 23 2HG2 ILE 23 -7.483 5.324 2.313 173 3HG2 ILE 23 3HG2 ILE 23 -7.641 3.578 2.648 174 1HD1 ILE 23 1HD1 ILE 23 -11.444 3.661 2.314 175 2HD1 ILE 23 2HD1 ILE 23 -10.267 2.464 1.760 176 3HD1 ILE 23 3HD1 ILE 23 -9.869 3.557 3.110 177 H GLU 24 H GLU 24 -5.785 6.358 -1.147 178 HA GLU 24 HA GLU 24 -4.349 4.321 -2.644 179 1HB GLU 24 1HB GLU 24 -4.410 6.643 -3.275 180 2HB GLU 24 2HB GLU 24 -3.650 7.142 -1.754 181 1HG GLU 24 1HG GLU 24 -1.591 5.902 -2.418 182 2HG GLU 24 2HG GLU 24 -2.391 5.375 -3.902 183 H LEU 25 H LEU 25 -4.080 2.613 -1.137 184 HA LEU 25 HA LEU 25 -2.945 3.023 1.433 185 1HB LEU 25 1HB LEU 25 -2.895 0.448 -0.123 186 2HB LEU 25 2HB LEU 25 -2.732 0.636 1.602 187 HG LEU 25 HG LEU 25 -5.262 1.235 0.009 188 1HD1 LEU 25 1HD1 LEU 25 -4.407 -1.222 1.605 189 2HD1 LEU 25 2HD1 LEU 25 -4.711 -1.126 -0.140 190 3HD1 LEU 25 3HD1 LEU 25 -6.049 -0.939 0.995 191 1HD2 LEU 25 1HD2 LEU 25 -5.026 2.451 2.214 192 2HD2 LEU 25 2HD2 LEU 25 -4.819 0.890 3.023 193 3HD2 LEU 25 3HD2 LEU 25 -6.352 1.285 2.215 194 H THR 26 H THR 26 -1.046 4.302 1.014 195 HA THR 26 HA THR 26 1.213 3.185 -0.485 196 HB THR 26 HB THR 26 1.141 5.424 1.573 197 HG1 THR 26 HG1 THR 26 -0.106 5.699 -0.375 198 1HG2 THR 26 1HG2 THR 26 3.294 6.097 0.488 199 2HG2 THR 26 2HG2 THR 26 3.275 4.596 -0.465 200 3HG2 THR 26 3HG2 THR 26 3.430 4.528 1.298 201 H VAL 27 H VAL 27 1.933 1.257 0.170 202 HA VAL 27 HA VAL 27 2.578 0.843 3.050 203 HB VAL 27 HB VAL 27 2.037 -1.530 2.760 204 1HG1 VAL 27 1HG1 VAL 27 0.285 -0.006 3.628 205 2HG1 VAL 27 2HG1 VAL 27 -0.355 0.177 1.980 206 3HG1 VAL 27 3HG1 VAL 27 -0.383 -1.408 2.777 207 1HG2 VAL 27 1HG2 VAL 27 2.395 -1.740 0.302 208 2HG2 VAL 27 2HG2 VAL 27 0.842 -2.396 0.819 209 3HG2 VAL 27 3HG2 VAL 27 0.911 -0.807 0.017 210 H GLU 28 H GLU 28 4.250 -1.051 3.178 211 HA GLU 28 HA GLU 28 6.035 -1.162 0.826 212 1HB GLU 28 1HB GLU 28 6.778 -0.618 3.685 213 2HB GLU 28 2HB GLU 28 7.924 -1.403 2.598 214 1HG GLU 28 1HG GLU 28 8.126 0.463 1.234 215 2HG GLU 28 2HG GLU 28 6.558 1.122 1.707 216 H SER 29 H SER 29 5.266 -3.197 0.075 217 HA SER 29 HA SER 29 5.258 -5.449 1.959 218 1HB SER 29 1HB SER 29 2.864 -4.157 0.595 219 2HB SER 29 2HB SER 29 2.916 -5.759 1.323 220 HG SER 29 HG SER 29 3.975 -3.913 3.004 221 H SER 30 H SER 30 5.686 -7.263 0.849 222 HA SER 30 HA SER 30 7.133 -6.848 -1.472 223 1HB SER 30 1HB SER 30 6.253 -9.516 -0.299 224 2HB SER 30 2HB SER 30 7.720 -9.190 -1.251 225 HG SER 30 HG SER 30 8.167 -9.201 0.981 226 H ALA 31 H ALA 31 7.162 -8.140 -3.461 227 HA ALA 31 HA ALA 31 5.104 -7.677 -5.183 228 1HB ALA 31 1HB ALA 31 7.038 -10.067 -5.229 229 2HB ALA 31 2HB ALA 31 6.146 -9.459 -6.624 230 3HB ALA 31 3HB ALA 31 7.396 -8.443 -5.859 231 H GLU 32 H GLU 32 5.603 -10.776 -3.481 232 HA GLU 32 HA GLU 32 3.454 -12.110 -4.786 233 1HB GLU 32 1HB GLU 32 5.436 -13.129 -3.666 234 2HB GLU 32 2HB GLU 32 4.753 -12.722 -2.090 235 1HG GLU 32 1HG GLU 32 3.145 -14.314 -4.136 236 2HG GLU 32 2HG GLU 32 4.421 -15.068 -3.197 237 H ASP 33 H ASP 33 3.721 -10.606 -1.537 238 HA ASP 33 HA ASP 33 1.059 -10.945 -0.686 239 1HB ASP 33 1HB ASP 33 2.822 -10.257 0.821 240 2HB ASP 33 2HB ASP 33 3.100 -8.771 -0.093 241 H LEU 34 H LEU 34 2.550 -8.272 -2.617 242 HA LEU 34 HA LEU 34 0.217 -6.719 -2.946 243 1HB LEU 34 1HB LEU 34 2.485 -5.975 -3.627 244 2HB LEU 34 2HB LEU 34 2.470 -7.155 -4.930 245 HG LEU 34 HG LEU 34 0.327 -5.955 -5.815 246 1HD1 LEU 34 1HD1 LEU 34 0.170 -3.572 -5.162 247 2HD1 LEU 34 2HD1 LEU 34 1.357 -3.850 -3.868 248 3HD1 LEU 34 3HD1 LEU 34 -0.220 -4.672 -3.830 249 1HD2 LEU 34 1HD2 LEU 34 1.677 -4.241 -6.960 250 2HD2 LEU 34 2HD2 LEU 34 2.547 -5.781 -6.895 251 3HD2 LEU 34 3HD2 LEU 34 2.994 -4.465 -5.790 252 H ARG 35 H ARG 35 1.416 -9.480 -4.932 253 HA ARG 35 HA ARG 35 -0.721 -9.338 -6.840 254 1HB ARG 35 1HB ARG 35 1.480 -10.558 -7.100 255 2HB ARG 35 2HB ARG 35 0.867 -11.822 -6.055 256 1HG ARG 35 1HG ARG 35 -0.850 -11.051 -8.391 257 2HG ARG 35 2HG ARG 35 0.644 -11.917 -8.744 258 1HD ARG 35 1HD ARG 35 0.023 -13.839 -7.580 259 2HD ARG 35 2HD ARG 35 -1.183 -13.007 -6.598 260 HE ARG 35 HE ARG 35 -2.429 -12.632 -8.765 261 1HH1 ARG 35 1HH1 ARG 35 -0.578 -15.601 -8.221 262 2HH1 ARG 35 2HH1 ARG 35 -1.690 -16.626 -9.063 263 1HH2 ARG 35 1HH2 ARG 35 -3.992 -13.971 -9.699 264 2HH2 ARG 35 2HH2 ARG 35 -3.645 -15.641 -10.033 265 H THR 36 H THR 36 -0.244 -11.442 -3.974 266 HA THR 36 HA THR 36 -2.703 -12.807 -4.166 267 HB THR 36 HB THR 36 -0.856 -12.221 -1.861 268 HG1 THR 36 HG1 THR 36 0.231 -13.979 -2.681 269 1HG2 THR 36 1HG2 THR 36 -3.012 -12.938 -0.898 270 2HG2 THR 36 2HG2 THR 36 -1.830 -14.251 -0.780 271 3HG2 THR 36 3HG2 THR 36 -3.086 -14.306 -2.038 272 H LEU 37 H LEU 37 -1.955 -9.809 -2.182 273 HA LEU 37 HA LEU 37 -4.680 -9.615 -1.353 274 1HB LEU 37 1HB LEU 37 -4.191 -7.541 -0.388 275 2HB LEU 37 2HB LEU 37 -2.777 -8.556 -0.181 276 HG LEU 37 HG LEU 37 -1.910 -7.315 -2.343 277 1HD1 LEU 37 1HD1 LEU 37 -4.062 -5.990 -2.763 278 2HD1 LEU 37 2HD1 LEU 37 -2.596 -5.058 -2.654 279 3HD1 LEU 37 3HD1 LEU 37 -3.719 -5.122 -1.266 280 1HD2 LEU 37 1HD2 LEU 37 -2.043 -5.887 0.345 281 2HD2 LEU 37 2HD2 LEU 37 -0.819 -5.646 -0.928 282 3HD2 LEU 37 3HD2 LEU 37 -0.916 -7.184 -0.082 283 H GLN 38 H GLN 38 -3.005 -8.464 -4.329 284 HA GLN 38 HA GLN 38 -5.059 -6.767 -5.231 285 1HB GLN 38 1HB GLN 38 -3.063 -6.642 -6.393 286 2HB GLN 38 2HB GLN 38 -2.909 -8.363 -6.567 287 1HG GLN 38 1HG GLN 38 -4.963 -8.236 -8.162 288 2HG GLN 38 2HG GLN 38 -4.581 -6.508 -8.228 289 1HE2 GLN 38 1HE2 GLN 38 -2.035 -6.123 -8.573 290 2HE2 GLN 38 2HE2 GLN 38 -1.277 -7.242 -9.696 291 H GLN 39 H GLN 39 -4.596 -10.364 -5.408 292 HA GLN 39 HA GLN 39 -6.880 -10.908 -7.011 293 1HB GLN 39 1HB GLN 39 -5.889 -12.827 -4.928 294 2HB GLN 39 2HB GLN 39 -6.792 -13.132 -6.397 295 1HG GLN 39 1HG GLN 39 -3.904 -12.488 -6.065 296 2HG GLN 39 2HG GLN 39 -4.642 -13.871 -6.831 297 1HE2 GLN 39 1HE2 GLN 39 -3.348 -10.769 -7.278 298 2HE2 GLN 39 2HE2 GLN 39 -3.570 -10.534 -8.994 299 H LEU 40 H LEU 40 -6.420 -10.683 -3.441 300 HA LEU 40 HA LEU 40 -9.081 -11.398 -2.723 301 1HB LEU 40 1HB LEU 40 -7.218 -9.474 -1.276 302 2HB LEU 40 2HB LEU 40 -8.680 -10.181 -0.612 303 HG LEU 40 HG LEU 40 -6.208 -11.745 -1.451 304 1HD1 LEU 40 1HD1 LEU 40 -7.295 -11.105 1.318 305 2HD1 LEU 40 2HD1 LEU 40 -5.873 -10.352 0.566 306 3HD1 LEU 40 3HD1 LEU 40 -5.855 -12.079 0.940 307 1HD2 LEU 40 1HD2 LEU 40 -8.172 -13.162 -1.732 308 2HD2 LEU 40 2HD2 LEU 40 -8.786 -12.689 -0.129 309 3HD2 LEU 40 3HD2 LEU 40 -7.300 -13.654 -0.284 310 H PHE 41 H PHE 41 -7.731 -8.113 -3.369 311 HA PHE 41 HA PHE 41 -10.302 -6.795 -3.027 312 1HB PHE 41 1HB PHE 41 -7.677 -5.944 -4.267 313 2HB PHE 41 2HB PHE 41 -9.114 -4.952 -4.388 314 HD1 PHE 41 HD1 PHE 41 -6.333 -5.837 -2.225 315 HD2 PHE 41 HD2 PHE 41 -10.279 -4.075 -2.261 316 HE1 PHE 41 HE1 PHE 41 -5.853 -4.714 -0.095 317 HE2 PHE 41 HE2 PHE 41 -9.768 -2.965 -0.107 318 HZ PHE 41 HZ PHE 41 -7.560 -3.252 0.952 319 H LEU 42 H LEU 42 -8.700 -8.254 -5.873 320 HA LEU 42 HA LEU 42 -10.687 -7.438 -7.778 321 1HB LEU 42 1HB LEU 42 -8.508 -9.480 -7.633 322 2HB LEU 42 2HB LEU 42 -9.816 -9.869 -8.713 323 HG LEU 42 HG LEU 42 -7.950 -8.769 -9.826 324 1HD1 LEU 42 1HD1 LEU 42 -10.233 -8.657 -10.750 325 2HD1 LEU 42 2HD1 LEU 42 -9.249 -7.259 -11.204 326 3HD1 LEU 42 3HD1 LEU 42 -10.484 -7.096 -9.942 327 1HD2 LEU 42 1HD2 LEU 42 -8.665 -6.257 -8.264 328 2HD2 LEU 42 2HD2 LEU 42 -7.551 -6.349 -9.643 329 3HD2 LEU 42 3HD2 LEU 42 -7.160 -7.188 -8.146 330 H SER 43 H SER 43 -10.483 -10.220 -5.566 331 HA SER 43 HA SER 43 -12.706 -11.626 -6.652 332 1HB SER 43 1HB SER 43 -10.789 -12.568 -5.329 333 2HB SER 43 2HB SER 43 -11.472 -11.849 -3.869 334 HG SER 43 HG SER 43 -12.094 -14.046 -4.198 335 H THR 44 H THR 44 -12.408 -9.766 -3.592 336 HA THR 44 HA THR 44 -15.174 -8.960 -3.615 337 HB THR 44 HB THR 44 -14.332 -11.264 -1.806 338 HG1 THR 44 HG1 THR 44 -15.426 -11.263 -4.133 339 1HG2 THR 44 1HG2 THR 44 -15.722 -9.863 -0.371 340 2HG2 THR 44 2HG2 THR 44 -16.653 -11.270 -0.893 341 3HG2 THR 44 3HG2 THR 44 -16.937 -9.692 -1.661 342 H LEU 45 H LEU 45 -11.991 -8.905 -2.048 343 HA LEU 45 HA LEU 45 -12.859 -7.690 0.375 344 1HB LEU 45 1HB LEU 45 -10.686 -8.844 0.060 345 2HB LEU 45 2HB LEU 45 -10.173 -7.569 -1.039 346 HG LEU 45 HG LEU 45 -10.235 -5.913 0.793 347 1HD1 LEU 45 1HD1 LEU 45 -11.925 -6.909 2.292 348 2HD1 LEU 45 2HD1 LEU 45 -10.398 -6.724 3.146 349 3HD1 LEU 45 3HD1 LEU 45 -10.884 -8.325 2.555 350 1HD2 LEU 45 1HD2 LEU 45 -8.227 -6.749 1.930 351 2HD2 LEU 45 2HD2 LEU 45 -8.169 -7.154 0.213 352 3HD2 LEU 45 3HD2 LEU 45 -8.585 -8.407 1.403 353 H SER 46 H SER 46 -12.997 -5.509 1.009 354 HA SER 46 HA SER 46 -11.919 -3.397 -0.533 355 1HB SER 46 1HB SER 46 -14.945 -3.668 -0.360 356 2HB SER 46 2HB SER 46 -14.113 -2.127 -0.669 357 HG SER 46 HG SER 46 -13.361 -4.366 -2.198 358 H PHE 47 H PHE 47 -12.499 -1.254 0.880 359 HA PHE 47 HA PHE 47 -12.048 -2.128 3.685 360 1HB PHE 47 1HB PHE 47 -10.437 -0.393 1.789 361 2HB PHE 47 2HB PHE 47 -10.404 -0.065 3.498 362 HD1 PHE 47 HD1 PHE 47 -7.934 -0.270 2.946 363 HD2 PHE 47 HD2 PHE 47 -10.551 -3.708 3.021 364 HE1 PHE 47 HE1 PHE 47 -6.031 -1.727 3.556 365 HE2 PHE 47 HE2 PHE 47 -8.661 -5.124 3.628 366 HZ PHE 47 HZ PHE 47 -6.391 -4.161 3.915 367 H VAL 48 H VAL 48 -11.903 0.347 4.873 368 HA VAL 48 HA VAL 48 -14.033 2.019 3.918 369 HB VAL 48 HB VAL 48 -15.359 0.497 5.167 370 1HG1 VAL 48 1HG1 VAL 48 -13.704 -0.635 6.569 371 2HG1 VAL 48 2HG1 VAL 48 -13.500 0.839 7.547 372 3HG1 VAL 48 3HG1 VAL 48 -15.047 -0.029 7.539 373 1HG2 VAL 48 1HG2 VAL 48 -16.326 1.937 6.887 374 2HG2 VAL 48 2HG2 VAL 48 -14.877 2.956 6.877 375 3HG2 VAL 48 3HG2 VAL 48 -15.915 2.867 5.440 376 H CYS 49 H CYS 49 -13.384 4.120 4.239 377 HA CYS 49 HA CYS 49 -10.731 4.549 5.338 378 1HB CYS 49 1HB CYS 49 -11.265 6.959 4.844 379 2HB CYS 49 2HB CYS 49 -11.343 5.875 3.468 380 HA PRO 50 HA PRO 50 -11.773 4.901 9.466 381 1HB PRO 50 1HB PRO 50 -10.222 6.960 10.522 382 2HB PRO 50 2HB PRO 50 -9.630 5.330 10.078 383 1HG PRO 50 1HG PRO 50 -9.546 7.865 8.422 384 2HG PRO 50 2HG PRO 50 -8.230 6.679 8.706 385 1HD PRO 50 1HD PRO 50 -9.690 6.599 6.439 386 2HD PRO 50 2HD PRO 50 -9.260 5.075 7.274 387 H TRP 51 H TRP 51 -12.116 8.022 7.794 388 HA TRP 51 HA TRP 51 -13.849 9.287 9.686 389 1HB TRP 51 1HB TRP 51 -12.721 10.439 7.812 390 2HB TRP 51 2HB TRP 51 -13.765 9.583 6.668 391 HD1 TRP 51 HD1 TRP 51 -15.904 10.851 6.061 392 HE1 TRP 51 HE1 TRP 51 -17.415 12.582 7.154 393 HE3 TRP 51 HE3 TRP 51 -13.385 11.477 10.480 394 HZ2 TRP 51 HZ2 TRP 51 -17.554 14.066 9.645 395 HZ3 TRP 51 HZ3 TRP 51 -14.261 13.015 12.214 396 HH2 TRP 51 HH2 TRP 51 -16.346 14.306 11.809 397 H CYS 52 H CYS 52 -14.529 7.151 6.871 398 HA CYS 52 HA CYS 52 -17.389 7.106 7.348 399 1HB CYS 52 1HB CYS 52 -15.507 5.417 5.675 400 2HB CYS 52 2HB CYS 52 -17.230 5.109 5.808 401 H ALA 53 H ALA 53 -14.626 5.034 8.383 402 HA ALA 53 HA ALA 53 -16.270 3.050 9.619 403 1HB ALA 53 1HB ALA 53 -13.519 3.964 10.545 404 2HB ALA 53 2HB ALA 53 -14.295 2.404 10.864 405 3HB ALA 53 3HB ALA 53 -13.806 2.819 9.208 406 H THR 54 H THR 54 -15.206 6.238 10.739 407 HA THR 54 HA THR 54 -16.160 5.930 13.446 408 HB THR 54 HB THR 54 -15.495 8.453 11.864 409 HG1 THR 54 HG1 THR 54 -13.711 7.118 11.879 410 1HG2 THR 54 1HG2 THR 54 -15.547 7.945 14.870 411 2HG2 THR 54 2HG2 THR 54 -16.689 8.967 13.966 412 3HG2 THR 54 3HG2 THR 54 -14.980 9.427 14.071 413 H ASN 55 H ASN 55 -17.471 7.615 10.537 414 HA ASN 55 HA ASN 55 -19.879 8.456 12.003 415 1HB ASN 55 1HB ASN 55 -19.005 8.821 9.104 416 2HB ASN 55 2HB ASN 55 -20.495 9.472 9.791 417 1HD2 ASN 55 1HD2 ASN 55 -16.914 9.580 10.085 418 2HD2 ASN 55 2HD2 ASN 55 -16.910 11.133 10.915 419 H GLN 56 H GLN 56 -18.968 5.784 10.136 420 HA GLN 56 HA GLN 56 -19.769 4.049 9.206 421 1HB GLN 56 1HB GLN 56 -21.779 4.542 11.343 422 2HB GLN 56 2HB GLN 56 -21.754 3.046 10.367 423 1HG GLN 56 1HG GLN 56 -19.377 4.020 12.000 424 2HG GLN 56 2HG GLN 56 -20.618 2.957 12.637 425 1HE2 GLN 56 1HE2 GLN 56 -19.039 1.297 13.035 426 2HE2 GLN 56 2HE2 GLN 56 -18.436 0.322 11.704 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 14.413 13.539 -6.257 2 1HA GLY 1 1HA GLY 1 12.797 12.379 -7.598 3 2HA GLY 1 2HA GLY 1 13.664 12.966 -9.038 4 H SER 2 H SER 2 13.675 10.411 -9.239 5 HA SER 2 HA SER 2 14.821 8.514 -9.342 6 1HB SER 2 1HB SER 2 16.512 10.059 -10.297 7 2HB SER 2 2HB SER 2 17.268 10.189 -8.693 8 HG SER 2 HG SER 2 17.340 7.834 -8.770 9 H HIS 3 H HIS 3 13.979 9.535 -6.496 10 HA HIS 3 HA HIS 3 15.105 7.213 -5.067 11 1HB HIS 3 1HB HIS 3 16.378 9.224 -4.345 12 2HB HIS 3 2HB HIS 3 14.870 10.027 -3.912 13 HD1 HIS 3 HD1 HIS 3 17.213 7.244 -2.698 14 HD2 HIS 3 HD2 HIS 3 13.641 9.210 -1.641 15 HE1 HIS 3 HE1 HIS 3 16.692 6.580 -0.283 16 H MET 4 H MET 4 13.135 6.310 -5.889 17 HA MET 4 HA MET 4 10.675 6.649 -4.545 18 1HB MET 4 1HB MET 4 9.395 7.648 -6.377 19 2HB MET 4 2HB MET 4 10.677 8.771 -5.935 20 1HG MET 4 1HG MET 4 12.046 7.554 -7.822 21 2HG MET 4 2HG MET 4 10.481 6.965 -8.355 22 1HE MET 4 1HE MET 4 8.624 10.232 -9.432 23 2HE MET 4 2HE MET 4 8.587 8.456 -9.360 24 3HE MET 4 3HE MET 4 8.504 9.413 -7.860 25 H ALA 5 H ALA 5 9.047 5.262 -5.911 26 HA ALA 5 HA ALA 5 8.408 3.492 -7.125 27 1HB ALA 5 1HB ALA 5 9.449 4.816 -9.002 28 2HB ALA 5 2HB ALA 5 10.947 3.880 -8.758 29 3HB ALA 5 3HB ALA 5 9.474 3.046 -9.266 30 H GLU 6 H GLU 6 10.143 3.175 -4.849 31 HA GLU 6 HA GLU 6 12.036 1.082 -5.419 32 1HB GLU 6 1HB GLU 6 11.012 1.932 -2.674 33 2HB GLU 6 2HB GLU 6 12.569 1.219 -3.064 34 1HG GLU 6 1HG GLU 6 13.352 3.337 -3.132 35 2HG GLU 6 2HG GLU 6 12.662 3.430 -4.695 36 HA PRO 7 HA PRO 7 9.542 -2.581 -4.313 37 1HB PRO 7 1HB PRO 7 11.342 -4.136 -2.956 38 2HB PRO 7 2HB PRO 7 11.389 -3.919 -4.733 39 1HG PRO 7 1HG PRO 7 12.993 -2.424 -2.633 40 2HG PRO 7 2HG PRO 7 13.598 -3.224 -4.121 41 1HD PRO 7 1HD PRO 7 13.111 -0.571 -4.059 42 2HD PRO 7 2HD PRO 7 12.693 -1.523 -5.505 43 H GLN 8 H GLN 8 8.863 -3.715 -2.334 44 HA GLN 8 HA GLN 8 7.805 -3.730 -0.463 45 1HB GLN 8 1HB GLN 8 10.347 -2.969 0.354 46 2HB GLN 8 2HB GLN 8 9.265 -1.838 1.167 47 1HG GLN 8 1HG GLN 8 9.514 -3.658 2.648 48 2HG GLN 8 2HG GLN 8 7.924 -3.901 1.939 49 1HE2 GLN 8 1HE2 GLN 8 7.902 -5.510 -0.061 50 2HE2 GLN 8 2HE2 GLN 8 8.852 -6.948 0.225 51 H ARG 9 H ARG 9 8.720 -0.281 -0.494 52 HA ARG 9 HA ARG 9 6.251 0.787 0.245 53 1HB ARG 9 1HB ARG 9 8.519 1.899 0.212 54 2HB ARG 9 2HB ARG 9 8.372 2.068 -1.524 55 1HG ARG 9 1HG ARG 9 5.969 3.086 -0.342 56 2HG ARG 9 2HG ARG 9 7.324 3.717 0.580 57 1HD ARG 9 1HD ARG 9 7.150 3.843 -2.456 58 2HD ARG 9 2HD ARG 9 6.512 5.116 -1.413 59 HE ARG 9 HE ARG 9 9.239 4.687 -2.205 60 1HH1 ARG 9 1HH1 ARG 9 7.347 5.919 0.523 61 2HH1 ARG 9 2HH1 ARG 9 8.596 6.969 1.115 62 1HH2 ARG 9 1HH2 ARG 9 10.930 5.979 -1.397 63 2HH2 ARG 9 2HH2 ARG 9 10.694 7.019 -0.029 64 H HIS 10 H HIS 10 4.462 -0.029 -0.740 65 HA HIS 10 HA HIS 10 4.124 0.577 -3.664 66 1HB HIS 10 1HB HIS 10 3.107 -1.876 -2.192 67 2HB HIS 10 2HB HIS 10 2.833 -1.469 -3.884 68 HD1 HIS 10 HD1 HIS 10 4.341 -4.173 -2.732 69 HD2 HIS 10 HD2 HIS 10 6.143 -0.742 -4.361 70 HE1 HIS 10 HE1 HIS 10 6.534 -4.915 -3.721 71 H LYS 11 H LYS 11 1.767 0.775 -4.311 72 HA LYS 11 HA LYS 11 0.201 2.008 -2.099 73 1HB LYS 11 1HB LYS 11 0.808 3.293 -4.777 74 2HB LYS 11 2HB LYS 11 -0.218 3.940 -3.488 75 1HG LYS 11 1HG LYS 11 1.855 3.763 -1.956 76 2HG LYS 11 2HG LYS 11 2.805 3.517 -3.425 77 1HD LYS 11 1HD LYS 11 1.047 5.913 -2.789 78 2HD LYS 11 2HD LYS 11 2.806 5.862 -2.635 79 1HE LYS 11 1HE LYS 11 3.142 5.679 -4.999 80 2HE LYS 11 2HE LYS 11 1.436 5.278 -5.279 81 1HZ LYS 11 1HZ LYS 11 0.790 7.414 -4.608 82 2HZ LYS 11 2HZ LYS 11 1.861 7.559 -5.851 83 3HZ LYS 11 3HZ LYS 11 2.339 7.899 -4.296 84 H ILE 12 H ILE 12 -1.449 0.619 -1.965 85 HA ILE 12 HA ILE 12 -2.678 -0.509 -4.403 86 HB ILE 12 HB ILE 12 -3.512 -0.925 -1.538 87 1HG1 ILE 12 1HG1 ILE 12 -1.146 -1.517 -1.797 88 2HG1 ILE 12 2HG1 ILE 12 -2.228 -2.804 -1.301 89 1HG2 ILE 12 1HG2 ILE 12 -4.526 -3.015 -2.383 90 2HG2 ILE 12 2HG2 ILE 12 -5.251 -1.565 -3.077 91 3HG2 ILE 12 3HG2 ILE 12 -4.112 -2.522 -4.041 92 1HD1 ILE 12 1HD1 ILE 12 -0.562 -3.592 -2.879 93 2HD1 ILE 12 2HD1 ILE 12 -2.183 -3.751 -3.576 94 3HD1 ILE 12 3HD1 ILE 12 -1.122 -2.411 -4.097 95 H LEU 13 H LEU 13 -3.695 1.066 -5.303 96 HA LEU 13 HA LEU 13 -5.419 3.006 -4.069 97 1HB LEU 13 1HB LEU 13 -4.341 3.047 -6.469 98 2HB LEU 13 2HB LEU 13 -5.804 2.226 -6.967 99 HG LEU 13 HG LEU 13 -6.105 4.609 -7.328 100 1HD1 LEU 13 1HD1 LEU 13 -8.056 3.364 -6.413 101 2HD1 LEU 13 2HD1 LEU 13 -8.054 5.121 -6.244 102 3HD1 LEU 13 3HD1 LEU 13 -7.675 4.086 -4.833 103 1HD2 LEU 13 1HD2 LEU 13 -5.590 5.259 -4.442 104 2HD2 LEU 13 2HD2 LEU 13 -5.671 6.311 -5.896 105 3HD2 LEU 13 3HD2 LEU 13 -4.287 5.248 -5.654 106 H CYS 14 H CYS 14 -6.727 1.903 -2.623 107 HA CYS 14 HA CYS 14 -8.732 -0.063 -3.600 108 1HB CYS 14 1HB CYS 14 -7.416 -0.384 -1.477 109 2HB CYS 14 2HB CYS 14 -8.183 1.060 -0.806 110 HG CYS 14 HG CYS 14 -10.612 0.157 -0.696 111 H VAL 15 H VAL 15 -11.036 0.392 -2.546 112 HA VAL 15 HA VAL 15 -11.632 3.269 -2.326 113 HB VAL 15 HB VAL 15 -13.894 2.859 -3.234 114 1HG1 VAL 15 1HG1 VAL 15 -12.169 3.889 -4.645 115 2HG1 VAL 15 2HG1 VAL 15 -11.650 2.285 -5.217 116 3HG1 VAL 15 3HG1 VAL 15 -13.274 2.897 -5.597 117 1HG2 VAL 15 1HG2 VAL 15 -14.001 0.383 -2.947 118 2HG2 VAL 15 2HG2 VAL 15 -14.385 0.899 -4.592 119 3HG2 VAL 15 3HG2 VAL 15 -12.797 0.192 -4.244 120 H CYS 16 H CYS 16 -13.269 3.776 -0.927 121 HA CYS 16 HA CYS 16 -13.629 2.167 1.451 122 1HB CYS 16 1HB CYS 16 -13.597 4.688 1.433 123 2HB CYS 16 2HB CYS 16 -15.098 4.650 0.492 124 H CYS 17 H CYS 17 -14.856 0.501 1.423 125 HA CYS 17 HA CYS 17 -16.605 -0.411 -0.482 126 1HB CYS 17 1HB CYS 17 -15.462 -1.623 1.464 127 2HB CYS 17 2HB CYS 17 -16.847 -1.142 2.464 128 HG CYS 17 HG CYS 17 -17.046 -3.656 1.729 129 H LYS 18 H LYS 18 -17.525 1.942 2.008 130 HA LYS 18 HA LYS 18 -20.400 1.451 1.405 131 1HB LYS 18 1HB LYS 18 -20.259 3.657 3.152 132 2HB LYS 18 2HB LYS 18 -20.853 2.038 3.450 133 1HG LYS 18 1HG LYS 18 -18.640 1.348 4.265 134 2HG LYS 18 2HG LYS 18 -17.992 2.970 3.930 135 1HD LYS 18 1HD LYS 18 -19.250 3.982 5.647 136 2HD LYS 18 2HD LYS 18 -20.471 2.710 5.656 137 1HE LYS 18 1HE LYS 18 -19.043 1.137 6.714 138 2HE LYS 18 2HE LYS 18 -17.626 2.179 6.555 139 1HZ LYS 18 1HZ LYS 18 -19.973 3.110 8.114 140 2HZ LYS 18 2HZ LYS 18 -18.454 3.620 8.210 141 3HZ LYS 18 3HZ LYS 18 -18.831 2.127 8.787 142 H CYS 19 H CYS 19 -17.907 4.028 1.020 143 HA CYS 19 HA CYS 19 -20.015 5.703 -0.218 144 1HB CYS 19 1HB CYS 19 -18.794 7.554 0.499 145 2HB CYS 19 2HB CYS 19 -18.965 6.477 1.879 146 H ASP 20 H ASP 20 -17.473 3.728 -1.189 147 HA ASP 20 HA ASP 20 -16.154 3.534 -2.934 148 1HB ASP 20 1HB ASP 20 -18.388 3.259 -3.914 149 2HB ASP 20 2HB ASP 20 -18.392 4.963 -4.357 150 H GLY 21 H GLY 21 -15.373 5.571 -1.317 151 1HA GLY 21 1HA GLY 21 -14.236 7.607 -3.208 152 2HA GLY 21 2HA GLY 21 -14.246 7.818 -1.457 153 H ARG 22 H ARG 22 -11.996 7.752 -3.266 154 HA ARG 22 HA ARG 22 -10.973 5.046 -3.070 155 1HB ARG 22 1HB ARG 22 -9.401 5.514 -4.586 156 2HB ARG 22 2HB ARG 22 -10.822 6.357 -5.127 157 1HG ARG 22 1HG ARG 22 -9.010 7.709 -5.682 158 2HG ARG 22 2HG ARG 22 -9.783 8.493 -4.288 159 1HD ARG 22 1HD ARG 22 -7.853 7.321 -2.926 160 2HD ARG 22 2HD ARG 22 -7.157 7.043 -4.505 161 HE ARG 22 HE ARG 22 -7.964 9.775 -3.642 162 1HH1 ARG 22 1HH1 ARG 22 -5.342 7.617 -4.601 163 2HH1 ARG 22 2HH1 ARG 22 -4.055 8.667 -4.150 164 1HH2 ARG 22 1HH2 ARG 22 -6.260 11.362 -3.327 165 2HH2 ARG 22 2HH2 ARG 22 -4.623 10.898 -3.672 166 H ILE 23 H ILE 23 -9.107 4.320 -2.153 167 HA ILE 23 HA ILE 23 -7.909 6.035 -0.056 168 HB ILE 23 HB ILE 23 -8.437 3.085 0.319 169 1HG1 ILE 23 1HG1 ILE 23 -10.326 5.229 1.348 170 2HG1 ILE 23 2HG1 ILE 23 -10.679 4.119 0.021 171 1HG2 ILE 23 1HG2 ILE 23 -7.949 3.593 2.661 172 2HG2 ILE 23 2HG2 ILE 23 -6.720 4.417 1.704 173 3HG2 ILE 23 3HG2 ILE 23 -8.077 5.340 2.361 174 1HD1 ILE 23 1HD1 ILE 23 -11.697 3.258 2.014 175 2HD1 ILE 23 2HD1 ILE 23 -10.394 2.170 1.512 176 3HD1 ILE 23 3HD1 ILE 23 -10.166 3.274 2.890 177 H GLU 24 H GLU 24 -5.810 6.271 -0.731 178 HA GLU 24 HA GLU 24 -4.494 4.282 -2.437 179 1HB GLU 24 1HB GLU 24 -4.397 6.683 -2.823 180 2HB GLU 24 2HB GLU 24 -3.578 6.958 -1.287 181 1HG GLU 24 1HG GLU 24 -1.626 5.705 -2.072 182 2HG GLU 24 2HG GLU 24 -2.486 5.206 -3.531 183 H LEU 25 H LEU 25 -4.192 2.418 -1.164 184 HA LEU 25 HA LEU 25 -3.325 2.712 1.592 185 1HB LEU 25 1HB LEU 25 -3.209 0.100 0.137 186 2HB LEU 25 2HB LEU 25 -3.327 0.385 1.830 187 HG LEU 25 HG LEU 25 -5.558 0.848 -0.195 188 1HD1 LEU 25 1HD1 LEU 25 -5.187 -1.328 1.901 189 2HD1 LEU 25 2HD1 LEU 25 -5.101 -1.534 0.142 190 3HD1 LEU 25 3HD1 LEU 25 -6.633 -1.088 0.900 191 1HD2 LEU 25 1HD2 LEU 25 -5.690 2.399 1.707 192 2HD2 LEU 25 2HD2 LEU 25 -5.611 1.031 2.838 193 3HD2 LEU 25 3HD2 LEU 25 -7.002 1.212 1.730 194 H THR 26 H THR 26 -1.410 3.893 1.361 195 HA THR 26 HA THR 26 0.903 2.852 -0.081 196 HB THR 26 HB THR 26 0.733 4.955 2.110 197 HG1 THR 26 HG1 THR 26 -0.416 5.402 0.160 198 1HG2 THR 26 1HG2 THR 26 3.028 4.069 1.893 199 2HG2 THR 26 2HG2 THR 26 2.930 5.691 1.192 200 3HG2 THR 26 3HG2 THR 26 2.961 4.263 0.130 201 H VAL 27 H VAL 27 1.283 0.794 0.472 202 HA VAL 27 HA VAL 27 1.775 0.098 3.331 203 HB VAL 27 HB VAL 27 1.514 -2.242 2.590 204 1HG1 VAL 27 1HG1 VAL 27 -0.894 -0.555 1.799 205 2HG1 VAL 27 2HG1 VAL 27 -0.899 -2.250 2.320 206 3HG1 VAL 27 3HG1 VAL 27 -0.435 -0.976 3.462 207 1HG2 VAL 27 1HG2 VAL 27 0.665 -1.131 -0.126 208 2HG2 VAL 27 2HG2 VAL 27 2.165 -2.025 0.200 209 3HG2 VAL 27 3HG2 VAL 27 0.599 -2.825 0.394 210 H GLU 28 H GLU 28 3.601 -1.622 3.513 211 HA GLU 28 HA GLU 28 5.549 -1.412 1.336 212 1HB GLU 28 1HB GLU 28 6.230 -1.431 4.251 213 2HB GLU 28 2HB GLU 28 7.382 -1.790 2.976 214 1HG GLU 28 1HG GLU 28 7.124 0.464 2.077 215 2HG GLU 28 2HG GLU 28 5.884 0.852 3.275 216 H SER 29 H SER 29 5.271 -3.411 0.334 217 HA SER 29 HA SER 29 5.563 -5.797 1.962 218 1HB SER 29 1HB SER 29 3.028 -5.297 2.003 219 2HB SER 29 2HB SER 29 3.045 -5.674 0.264 220 HG SER 29 HG SER 29 2.595 -7.585 1.393 221 H SER 30 H SER 30 5.521 -7.807 0.326 222 HA SER 30 HA SER 30 7.297 -6.939 -1.879 223 1HB SER 30 1HB SER 30 6.547 -9.732 -0.926 224 2HB SER 30 2HB SER 30 7.803 -9.305 -2.109 225 HG SER 30 HG SER 30 8.631 -9.613 -0.032 226 H ALA 31 H ALA 31 6.992 -8.403 -4.010 227 HA ALA 31 HA ALA 31 4.639 -7.196 -5.204 228 1HB ALA 31 1HB ALA 31 6.726 -9.110 -6.337 229 2HB ALA 31 2HB ALA 31 5.521 -8.196 -7.271 230 3HB ALA 31 3HB ALA 31 6.796 -7.331 -6.393 231 H GLU 32 H GLU 32 5.655 -10.385 -4.199 232 HA GLU 32 HA GLU 32 3.645 -12.006 -5.318 233 1HB GLU 32 1HB GLU 32 4.810 -12.544 -2.553 234 2HB GLU 32 2HB GLU 32 4.338 -13.680 -3.805 235 1HG GLU 32 1HG GLU 32 6.667 -13.798 -3.822 236 2HG GLU 32 2HG GLU 32 6.329 -12.725 -5.177 237 H ASP 33 H ASP 33 3.786 -10.531 -2.077 238 HA ASP 33 HA ASP 33 1.156 -11.282 -1.239 239 1HB ASP 33 1HB ASP 33 2.834 -10.770 0.405 240 2HB ASP 33 2HB ASP 33 3.122 -9.175 -0.303 241 H LEU 34 H LEU 34 2.546 -8.229 -2.582 242 HA LEU 34 HA LEU 34 0.161 -6.740 -2.719 243 1HB LEU 34 1HB LEU 34 2.273 -5.740 -3.192 244 2HB LEU 34 2HB LEU 34 2.556 -6.775 -4.583 245 HG LEU 34 HG LEU 34 0.051 -5.110 -4.679 246 1HD1 LEU 34 1HD1 LEU 34 1.247 -3.101 -5.389 247 2HD1 LEU 34 2HD1 LEU 34 2.810 -3.889 -5.085 248 3HD1 LEU 34 3HD1 LEU 34 1.701 -3.539 -3.737 249 1HD2 LEU 34 1HD2 LEU 34 0.760 -4.797 -7.048 250 2HD2 LEU 34 2HD2 LEU 34 0.645 -6.505 -6.640 251 3HD2 LEU 34 3HD2 LEU 34 2.236 -5.730 -6.729 252 H ARG 35 H ARG 35 1.407 -9.112 -5.162 253 HA ARG 35 HA ARG 35 -0.803 -8.697 -6.930 254 1HB ARG 35 1HB ARG 35 1.404 -9.846 -7.471 255 2HB ARG 35 2HB ARG 35 0.801 -11.283 -6.644 256 1HG ARG 35 1HG ARG 35 -1.114 -11.416 -8.188 257 2HG ARG 35 2HG ARG 35 -0.639 -9.885 -8.950 258 1HD ARG 35 1HD ARG 35 1.482 -10.934 -9.697 259 2HD ARG 35 2HD ARG 35 0.955 -12.480 -8.987 260 HE ARG 35 HE ARG 35 -1.123 -11.654 -10.633 261 1HH1 ARG 35 1HH1 ARG 35 2.269 -12.492 -11.116 262 2HH1 ARG 35 2HH1 ARG 35 2.090 -12.994 -12.763 263 1HH2 ARG 35 1HH2 ARG 35 -1.409 -12.317 -12.819 264 2HH2 ARG 35 2HH2 ARG 35 -0.074 -12.894 -13.746 265 H THR 36 H THR 36 -0.172 -11.124 -4.403 266 HA THR 36 HA THR 36 -2.560 -12.579 -4.787 267 HB THR 36 HB THR 36 -1.052 -12.176 -2.157 268 HG1 THR 36 HG1 THR 36 0.429 -12.831 -3.667 269 1HG2 THR 36 1HG2 THR 36 -3.179 -13.404 -1.858 270 2HG2 THR 36 2HG2 THR 36 -1.792 -14.487 -1.656 271 3HG2 THR 36 3HG2 THR 36 -2.726 -14.522 -3.167 272 H LEU 37 H LEU 37 -1.946 -9.853 -2.469 273 HA LEU 37 HA LEU 37 -4.663 -9.860 -1.570 274 1HB LEU 37 1HB LEU 37 -4.154 -8.084 -0.210 275 2HB LEU 37 2HB LEU 37 -2.645 -8.958 -0.346 276 HG LEU 37 HG LEU 37 -2.168 -7.153 -2.275 277 1HD1 LEU 37 1HD1 LEU 37 -4.400 -6.010 -2.107 278 2HD1 LEU 37 2HD1 LEU 37 -3.069 -4.943 -1.677 279 3HD1 LEU 37 3HD1 LEU 37 -4.070 -5.659 -0.403 280 1HD2 LEU 37 1HD2 LEU 37 -1.034 -5.752 -0.594 281 2HD2 LEU 37 2HD2 LEU 37 -0.803 -7.471 -0.258 282 3HD2 LEU 37 3HD2 LEU 37 -1.964 -6.542 0.702 283 H GLN 38 H GLN 38 -3.066 -8.271 -4.386 284 HA GLN 38 HA GLN 38 -5.219 -6.512 -5.005 285 1HB GLN 38 1HB GLN 38 -3.111 -6.215 -6.061 286 2HB GLN 38 2HB GLN 38 -3.050 -7.878 -6.594 287 1HG GLN 38 1HG GLN 38 -5.102 -7.298 -8.086 288 2HG GLN 38 2HG GLN 38 -4.617 -5.619 -7.800 289 1HE2 GLN 38 1HE2 GLN 38 -2.129 -5.219 -8.196 290 2HE2 GLN 38 2HE2 GLN 38 -1.405 -6.157 -9.491 291 H GLN 39 H GLN 39 -4.637 -10.045 -5.681 292 HA GLN 39 HA GLN 39 -6.968 -10.335 -7.302 293 1HB GLN 39 1HB GLN 39 -5.872 -12.546 -5.588 294 2HB GLN 39 2HB GLN 39 -6.822 -12.641 -7.062 295 1HG GLN 39 1HG GLN 39 -3.930 -12.005 -6.711 296 2HG GLN 39 2HG GLN 39 -4.680 -13.204 -7.743 297 1HE2 GLN 39 1HE2 GLN 39 -3.271 -10.173 -7.619 298 2HE2 GLN 39 2HE2 GLN 39 -3.686 -9.525 -9.193 299 H LEU 40 H LEU 40 -6.401 -10.734 -3.768 300 HA LEU 40 HA LEU 40 -9.056 -11.561 -3.121 301 1HB LEU 40 1HB LEU 40 -7.051 -10.015 -1.433 302 2HB LEU 40 2HB LEU 40 -8.541 -10.713 -0.815 303 HG LEU 40 HG LEU 40 -6.269 -12.318 -2.067 304 1HD1 LEU 40 1HD1 LEU 40 -5.822 -13.057 0.234 305 2HD1 LEU 40 2HD1 LEU 40 -7.109 -11.993 0.844 306 3HD1 LEU 40 3HD1 LEU 40 -5.652 -11.303 0.096 307 1HD2 LEU 40 1HD2 LEU 40 -8.381 -13.507 -2.382 308 2HD2 LEU 40 2HD2 LEU 40 -8.840 -13.216 -0.686 309 3HD2 LEU 40 3HD2 LEU 40 -7.474 -14.280 -1.085 310 H PHE 41 H PHE 41 -7.698 -8.248 -3.360 311 HA PHE 41 HA PHE 41 -10.194 -7.018 -2.514 312 1HB PHE 41 1HB PHE 41 -7.598 -5.968 -3.639 313 2HB PHE 41 2HB PHE 41 -9.014 -4.945 -3.562 314 HD1 PHE 41 HD1 PHE 41 -7.081 -7.223 -1.192 315 HD2 PHE 41 HD2 PHE 41 -9.289 -3.549 -1.702 316 HE1 PHE 41 HE1 PHE 41 -6.359 -6.489 1.027 317 HE2 PHE 41 HE2 PHE 41 -8.596 -2.858 0.575 318 HZ PHE 41 HZ PHE 41 -7.086 -4.287 1.909 319 H LEU 42 H LEU 42 -8.779 -7.922 -5.684 320 HA LEU 42 HA LEU 42 -10.893 -6.670 -7.226 321 1HB LEU 42 1HB LEU 42 -8.919 -8.922 -7.736 322 2HB LEU 42 2HB LEU 42 -10.142 -8.498 -8.923 323 HG LEU 42 HG LEU 42 -8.092 -6.497 -7.876 324 1HD1 LEU 42 1HD1 LEU 42 -7.001 -8.390 -9.065 325 2HD1 LEU 42 2HD1 LEU 42 -6.892 -6.883 -9.990 326 3HD1 LEU 42 3HD1 LEU 42 -8.070 -8.131 -10.456 327 1HD2 LEU 42 1HD2 LEU 42 -10.082 -5.407 -8.818 328 2HD2 LEU 42 2HD2 LEU 42 -9.976 -6.419 -10.275 329 3HD2 LEU 42 3HD2 LEU 42 -8.712 -5.222 -9.914 330 H SER 43 H SER 43 -10.504 -9.841 -5.663 331 HA SER 43 HA SER 43 -12.817 -11.097 -6.725 332 1HB SER 43 1HB SER 43 -11.056 -12.388 -5.750 333 2HB SER 43 2HB SER 43 -11.102 -11.498 -4.241 334 HG SER 43 HG SER 43 -12.915 -12.498 -3.617 335 H THR 44 H THR 44 -12.342 -9.877 -3.399 336 HA THR 44 HA THR 44 -15.175 -9.346 -3.123 337 HB THR 44 HB THR 44 -14.897 -11.036 -1.034 338 HG1 THR 44 HG1 THR 44 -13.495 -12.618 -1.377 339 1HG2 THR 44 1HG2 THR 44 -15.879 -12.819 -2.321 340 2HG2 THR 44 2HG2 THR 44 -15.320 -12.100 -3.845 341 3HG2 THR 44 3HG2 THR 44 -16.548 -11.264 -2.867 342 H LEU 45 H LEU 45 -11.977 -9.285 -1.674 343 HA LEU 45 HA LEU 45 -12.846 -8.048 0.799 344 1HB LEU 45 1HB LEU 45 -10.798 -9.428 0.547 345 2HB LEU 45 2HB LEU 45 -10.095 -8.198 -0.500 346 HG LEU 45 HG LEU 45 -9.947 -6.614 1.342 347 1HD1 LEU 45 1HD1 LEU 45 -11.231 -8.786 3.072 348 2HD1 LEU 45 2HD1 LEU 45 -11.934 -7.198 2.706 349 3HD1 LEU 45 3HD1 LEU 45 -10.472 -7.299 3.680 350 1HD2 LEU 45 1HD2 LEU 45 -8.266 -7.789 2.666 351 2HD2 LEU 45 2HD2 LEU 45 -8.163 -8.352 0.989 352 3HD2 LEU 45 3HD2 LEU 45 -8.945 -9.367 2.210 353 H SER 46 H SER 46 -12.481 -5.783 1.463 354 HA SER 46 HA SER 46 -11.374 -3.810 -0.212 355 1HB SER 46 1HB SER 46 -14.422 -3.932 -0.009 356 2HB SER 46 2HB SER 46 -13.541 -2.427 -0.344 357 HG SER 46 HG SER 46 -12.970 -4.740 -1.859 358 H PHE 47 H PHE 47 -11.764 -1.629 0.932 359 HA PHE 47 HA PHE 47 -11.636 -2.099 3.862 360 1HB PHE 47 1HB PHE 47 -9.824 -0.687 1.898 361 2HB PHE 47 2HB PHE 47 -10.016 -0.001 3.474 362 HD1 PHE 47 HD1 PHE 47 -7.582 -0.203 3.633 363 HD2 PHE 47 HD2 PHE 47 -10.064 -3.733 3.437 364 HE1 PHE 47 HE1 PHE 47 -5.777 -1.547 4.662 365 HE2 PHE 47 HE2 PHE 47 -8.286 -5.038 4.489 366 HZ PHE 47 HZ PHE 47 -6.129 -3.967 5.112 367 H VAL 48 H VAL 48 -11.632 0.367 4.817 368 HA VAL 48 HA VAL 48 -13.897 1.817 3.768 369 HB VAL 48 HB VAL 48 -13.644 0.653 6.576 370 1HG1 VAL 48 1HG1 VAL 48 -15.710 2.653 5.579 371 2HG1 VAL 48 2HG1 VAL 48 -15.691 1.848 7.176 372 3HG1 VAL 48 3HG1 VAL 48 -14.422 2.988 6.763 373 1HG2 VAL 48 1HG2 VAL 48 -14.688 -0.900 4.971 374 2HG2 VAL 48 2HG2 VAL 48 -15.903 -0.296 6.095 375 3HG2 VAL 48 3HG2 VAL 48 -15.818 0.364 4.445 376 H CYS 49 H CYS 49 -13.510 4.038 3.974 377 HA CYS 49 HA CYS 49 -10.819 4.805 4.724 378 1HB CYS 49 1HB CYS 49 -11.566 7.072 4.129 379 2HB CYS 49 2HB CYS 49 -11.940 5.903 2.877 380 HA PRO 50 HA PRO 50 -11.450 5.438 8.977 381 1HB PRO 50 1HB PRO 50 -10.016 7.728 9.617 382 2HB PRO 50 2HB PRO 50 -9.306 6.119 9.291 383 1HG PRO 50 1HG PRO 50 -9.633 8.437 7.369 384 2HG PRO 50 2HG PRO 50 -8.188 7.407 7.631 385 1HD PRO 50 1HD PRO 50 -9.867 6.949 5.563 386 2HD PRO 50 2HD PRO 50 -9.180 5.576 6.483 387 H TRP 51 H TRP 51 -12.188 8.291 6.964 388 HA TRP 51 HA TRP 51 -13.890 9.671 8.773 389 1HB TRP 51 1HB TRP 51 -13.065 10.535 6.589 390 2HB TRP 51 2HB TRP 51 -14.164 9.429 5.758 391 HD1 TRP 51 HD1 TRP 51 -16.466 10.422 5.239 392 HE1 TRP 51 HE1 TRP 51 -17.953 12.268 6.178 393 HE3 TRP 51 HE3 TRP 51 -13.496 11.992 9.103 394 HZ2 TRP 51 HZ2 TRP 51 -17.883 14.215 8.321 395 HZ3 TRP 51 HZ3 TRP 51 -14.267 13.794 10.621 396 HH2 TRP 51 HH2 TRP 51 -16.454 14.909 10.240 397 H CYS 52 H CYS 52 -14.619 6.985 6.499 398 HA CYS 52 HA CYS 52 -17.422 6.824 7.283 399 1HB CYS 52 1HB CYS 52 -15.531 5.117 5.645 400 2HB CYS 52 2HB CYS 52 -17.109 4.529 6.122 401 H ALA 53 H ALA 53 -14.393 5.328 8.440 402 HA ALA 53 HA ALA 53 -15.683 3.406 10.123 403 1HB ALA 53 1HB ALA 53 -13.031 4.807 10.639 404 2HB ALA 53 2HB ALA 53 -13.594 3.281 11.332 405 3HB ALA 53 3HB ALA 53 -13.246 3.381 9.594 406 H THR 54 H THR 54 -14.604 6.813 10.788 407 HA THR 54 HA THR 54 -15.678 6.935 13.408 408 HB THR 54 HB THR 54 -15.207 9.172 11.384 409 HG1 THR 54 HG1 THR 54 -13.515 7.941 13.294 410 1HG2 THR 54 1HG2 THR 54 -14.803 10.593 13.379 411 2HG2 THR 54 2HG2 THR 54 -15.322 9.258 14.435 412 3HG2 THR 54 3HG2 THR 54 -16.473 10.018 13.315 413 H ASN 55 H ASN 55 -17.146 7.953 10.276 414 HA ASN 55 HA ASN 55 -19.549 8.956 11.572 415 1HB ASN 55 1HB ASN 55 -18.889 8.390 8.650 416 2HB ASN 55 2HB ASN 55 -20.465 8.966 9.192 417 1HD2 ASN 55 1HD2 ASN 55 -16.965 9.792 9.375 418 2HD2 ASN 55 2HD2 ASN 55 -17.252 11.509 9.596 419 H GLN 56 H GLN 56 -18.561 5.921 10.317 420 HA GLN 56 HA GLN 56 -19.288 3.836 10.540 421 1HB GLN 56 1HB GLN 56 -19.354 4.595 12.915 422 2HB GLN 56 2HB GLN 56 -21.089 4.835 12.750 423 1HG GLN 56 1HG GLN 56 -20.508 2.202 11.723 424 2HG GLN 56 2HG GLN 56 -19.567 2.386 13.194 425 1HE2 GLN 56 1HE2 GLN 56 -22.823 3.279 11.988 426 2HE2 GLN 56 2HE2 GLN 56 -23.735 2.639 13.389 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 17.326 14.302 -2.599 2 1HA GLY 1 1HA GLY 1 15.872 14.484 -4.537 3 2HA GLY 1 2HA GLY 1 17.604 14.502 -4.956 4 H SER 2 H SER 2 15.281 13.610 -6.619 5 HA SER 2 HA SER 2 14.487 11.946 -7.846 6 1HB SER 2 1HB SER 2 16.929 11.745 -8.505 7 2HB SER 2 2HB SER 2 17.043 10.379 -7.375 8 HG SER 2 HG SER 2 16.535 9.683 -9.484 9 H HIS 3 H HIS 3 14.590 9.191 -7.652 10 HA HIS 3 HA HIS 3 13.894 8.232 -5.012 11 1HB HIS 3 1HB HIS 3 11.787 9.004 -7.002 12 2HB HIS 3 2HB HIS 3 11.628 7.378 -6.381 13 HD1 HIS 3 HD1 HIS 3 12.691 10.463 -4.320 14 HD2 HIS 3 HD2 HIS 3 9.692 7.528 -4.672 15 HE1 HIS 3 HE1 HIS 3 11.083 10.781 -2.315 16 H MET 4 H MET 4 12.898 5.782 -5.619 17 HA MET 4 HA MET 4 14.406 4.670 -7.883 18 1HB MET 4 1HB MET 4 15.828 4.341 -5.905 19 2HB MET 4 2HB MET 4 14.479 3.659 -5.004 20 1HG MET 4 1HG MET 4 16.077 1.957 -5.847 21 2HG MET 4 2HG MET 4 14.426 1.696 -6.378 22 1HE MET 4 1HE MET 4 17.077 4.291 -7.947 23 2HE MET 4 2HE MET 4 18.020 2.887 -7.385 24 3HE MET 4 3HE MET 4 17.854 3.213 -9.125 25 H ALA 5 H ALA 5 13.429 2.659 -8.624 26 HA ALA 5 HA ALA 5 10.597 2.411 -8.116 27 1HB ALA 5 1HB ALA 5 11.389 2.450 -10.428 28 2HB ALA 5 2HB ALA 5 12.467 1.069 -10.103 29 3HB ALA 5 3HB ALA 5 10.701 0.857 -10.034 30 H GLU 6 H GLU 6 11.195 1.795 -5.824 31 HA GLU 6 HA GLU 6 12.860 -0.435 -5.327 32 1HB GLU 6 1HB GLU 6 10.782 0.641 -3.408 33 2HB GLU 6 2HB GLU 6 12.311 -0.163 -3.032 34 1HG GLU 6 1HG GLU 6 13.599 1.760 -3.732 35 2HG GLU 6 2HG GLU 6 12.197 2.541 -4.448 36 HA PRO 7 HA PRO 7 9.758 -3.723 -5.787 37 1HB PRO 7 1HB PRO 7 11.211 -5.869 -5.072 38 2HB PRO 7 2HB PRO 7 11.718 -4.854 -6.451 39 1HG PRO 7 1HG PRO 7 12.730 -4.713 -3.585 40 2HG PRO 7 2HG PRO 7 13.696 -4.828 -5.091 41 1HD PRO 7 1HD PRO 7 13.084 -2.431 -3.831 42 2HD PRO 7 2HD PRO 7 13.345 -2.564 -5.597 43 H GLN 8 H GLN 8 9.340 -2.070 -3.631 44 HA GLN 8 HA GLN 8 8.344 -3.812 -1.478 45 1HB GLN 8 1HB GLN 8 10.299 -1.572 -0.950 46 2HB GLN 8 2HB GLN 8 9.212 -2.247 0.270 47 1HG GLN 8 1HG GLN 8 11.308 -3.850 -1.261 48 2HG GLN 8 2HG GLN 8 11.478 -3.174 0.347 49 1HE2 GLN 8 1HE2 GLN 8 9.746 -5.685 -1.529 50 2HE2 GLN 8 2HE2 GLN 8 9.387 -6.650 -0.083 51 H ARG 9 H ARG 9 8.928 -0.328 -1.783 52 HA ARG 9 HA ARG 9 6.460 0.456 -0.938 53 1HB ARG 9 1HB ARG 9 8.683 1.681 -1.063 54 2HB ARG 9 2HB ARG 9 8.137 2.274 -2.635 55 1HG ARG 9 1HG ARG 9 6.139 3.007 -1.492 56 2HG ARG 9 2HG ARG 9 6.965 2.605 -0.000 57 1HD ARG 9 1HD ARG 9 7.663 4.616 -2.046 58 2HD ARG 9 2HD ARG 9 7.278 4.874 -0.320 59 HE ARG 9 HE ARG 9 9.877 4.022 -1.537 60 1HH1 ARG 9 1HH1 ARG 9 8.255 3.906 1.705 61 2HH1 ARG 9 2HH1 ARG 9 9.635 3.274 2.320 62 1HH2 ARG 9 1HH2 ARG 9 11.654 3.392 -0.473 63 2HH2 ARG 9 2HH2 ARG 9 11.722 3.426 1.251 64 H HIS 10 H HIS 10 4.705 0.194 -1.724 65 HA HIS 10 HA HIS 10 4.220 0.048 -4.721 66 1HB HIS 10 1HB HIS 10 3.559 -2.192 -2.791 67 2HB HIS 10 2HB HIS 10 2.982 -2.045 -4.442 68 HD1 HIS 10 HD1 HIS 10 4.815 -4.534 -3.408 69 HD2 HIS 10 HD2 HIS 10 6.167 -1.088 -5.388 70 HE1 HIS 10 HE1 HIS 10 6.941 -5.172 -4.580 71 H LYS 11 H LYS 11 2.622 1.341 -5.166 72 HA LYS 11 HA LYS 11 0.645 2.122 -3.133 73 1HB LYS 11 1HB LYS 11 1.439 3.197 -5.853 74 2HB LYS 11 2HB LYS 11 -0.019 3.712 -5.003 75 1HG LYS 11 1HG LYS 11 1.684 5.300 -4.603 76 2HG LYS 11 2HG LYS 11 1.241 4.515 -3.115 77 1HD LYS 11 1HD LYS 11 3.638 4.906 -3.141 78 2HD LYS 11 2HD LYS 11 3.346 3.167 -3.229 79 1HE LYS 11 1HE LYS 11 3.665 3.192 -5.631 80 2HE LYS 11 2HE LYS 11 4.019 4.929 -5.591 81 1HZ LYS 11 1HZ LYS 11 6.063 3.745 -5.614 82 2HZ LYS 11 2HZ LYS 11 5.640 2.723 -4.422 83 3HZ LYS 11 3HZ LYS 11 5.900 4.323 -4.086 84 H ILE 12 H ILE 12 -0.995 0.813 -2.955 85 HA ILE 12 HA ILE 12 -2.371 -0.235 -5.397 86 HB ILE 12 HB ILE 12 -2.374 -1.298 -2.552 87 1HG1 ILE 12 1HG1 ILE 12 -1.276 -2.595 -5.086 88 2HG1 ILE 12 2HG1 ILE 12 -0.279 -1.724 -3.923 89 1HG2 ILE 12 1HG2 ILE 12 -3.888 -2.189 -5.048 90 2HG2 ILE 12 2HG2 ILE 12 -3.778 -3.152 -3.558 91 3HG2 ILE 12 3HG2 ILE 12 -4.585 -1.593 -3.539 92 1HD1 ILE 12 1HD1 ILE 12 -0.074 -4.021 -3.365 93 2HD1 ILE 12 2HD1 ILE 12 -1.040 -3.252 -2.115 94 3HD1 ILE 12 3HD1 ILE 12 -1.822 -4.267 -3.367 95 H LEU 13 H LEU 13 -3.718 1.438 -5.884 96 HA LEU 13 HA LEU 13 -5.139 2.977 -3.959 97 1HB LEU 13 1HB LEU 13 -4.566 3.734 -6.223 98 2HB LEU 13 2HB LEU 13 -5.717 2.596 -6.920 99 HG LEU 13 HG LEU 13 -6.770 4.435 -4.767 100 1HD1 LEU 13 1HD1 LEU 13 -7.017 6.280 -6.409 101 2HD1 LEU 13 2HD1 LEU 13 -5.943 5.395 -7.513 102 3HD1 LEU 13 3HD1 LEU 13 -5.333 5.940 -5.927 103 1HD2 LEU 13 1HD2 LEU 13 -8.316 2.881 -5.927 104 2HD2 LEU 13 2HD2 LEU 13 -7.890 3.619 -7.484 105 3HD2 LEU 13 3HD2 LEU 13 -8.736 4.564 -6.238 106 H CYS 14 H CYS 14 -6.593 2.099 -2.663 107 HA CYS 14 HA CYS 14 -8.608 0.198 -3.822 108 1HB CYS 14 1HB CYS 14 -7.122 -0.671 -1.900 109 2HB CYS 14 2HB CYS 14 -8.035 0.438 -0.853 110 HG CYS 14 HG CYS 14 -9.059 -2.077 -2.772 111 H VAL 15 H VAL 15 -10.774 0.479 -2.223 112 HA VAL 15 HA VAL 15 -11.240 3.357 -1.871 113 HB VAL 15 HB VAL 15 -13.413 3.243 -3.018 114 1HG1 VAL 15 1HG1 VAL 15 -11.423 4.216 -4.115 115 2HG1 VAL 15 2HG1 VAL 15 -11.079 2.645 -4.878 116 3HG1 VAL 15 3HG1 VAL 15 -12.574 3.525 -5.265 117 1HG2 VAL 15 1HG2 VAL 15 -12.448 0.597 -4.192 118 2HG2 VAL 15 2HG2 VAL 15 -13.784 0.790 -3.032 119 3HG2 VAL 15 3HG2 VAL 15 -13.909 1.499 -4.647 120 H CYS 16 H CYS 16 -12.833 3.921 -0.529 121 HA CYS 16 HA CYS 16 -13.842 2.137 1.506 122 1HB CYS 16 1HB CYS 16 -13.576 4.598 1.818 123 2HB CYS 16 2HB CYS 16 -14.843 4.853 0.598 124 H CYS 17 H CYS 17 -15.298 0.644 1.210 125 HA CYS 17 HA CYS 17 -16.620 0.004 -1.115 126 1HB CYS 17 1HB CYS 17 -16.205 -1.384 1.040 127 2HB CYS 17 2HB CYS 17 -17.707 -0.680 1.647 128 HG CYS 17 HG CYS 17 -18.993 -1.314 -0.688 129 H LYS 18 H LYS 18 -17.693 2.438 1.131 130 HA LYS 18 HA LYS 18 -20.491 2.307 0.127 131 1HB LYS 18 1HB LYS 18 -21.052 3.100 2.430 132 2HB LYS 18 2HB LYS 18 -20.367 1.469 2.326 133 1HG LYS 18 1HG LYS 18 -18.171 2.311 3.036 134 2HG LYS 18 2HG LYS 18 -18.793 3.962 3.118 135 1HD LYS 18 1HD LYS 18 -20.205 1.805 4.666 136 2HD LYS 18 2HD LYS 18 -18.604 2.285 5.218 137 1HE LYS 18 1HE LYS 18 -19.859 3.744 6.439 138 2HE LYS 18 2HE LYS 18 -19.474 4.724 5.026 139 1HZ LYS 18 1HZ LYS 18 -21.766 4.210 4.221 140 2HZ LYS 18 2HZ LYS 18 -21.744 4.869 5.783 141 3HZ LYS 18 3HZ LYS 18 -22.003 3.356 5.677 142 H CYS 19 H CYS 19 -17.760 4.547 0.594 143 HA CYS 19 HA CYS 19 -19.520 6.608 -0.587 144 1HB CYS 19 1HB CYS 19 -18.179 8.209 0.429 145 2HB CYS 19 2HB CYS 19 -18.712 7.122 1.695 146 H ASP 20 H ASP 20 -17.208 4.350 -1.498 147 HA ASP 20 HA ASP 20 -15.710 4.106 -3.064 148 1HB ASP 20 1HB ASP 20 -17.645 4.798 -4.459 149 2HB ASP 20 2HB ASP 20 -16.996 6.438 -4.480 150 H GLY 21 H GLY 21 -15.242 6.044 -0.816 151 1HA GLY 21 1HA GLY 21 -13.599 8.174 -1.714 152 2HA GLY 21 2HA GLY 21 -13.528 7.536 -0.086 153 H ARG 22 H ARG 22 -11.674 8.312 -2.161 154 HA ARG 22 HA ARG 22 -10.203 6.081 -3.243 155 1HB ARG 22 1HB ARG 22 -10.430 8.279 -4.312 156 2HB ARG 22 2HB ARG 22 -9.519 9.056 -3.020 157 1HG ARG 22 1HG ARG 22 -8.221 6.809 -4.560 158 2HG ARG 22 2HG ARG 22 -8.463 8.363 -5.371 159 1HD ARG 22 1HD ARG 22 -7.267 9.481 -3.419 160 2HD ARG 22 2HD ARG 22 -6.819 7.854 -2.870 161 HE ARG 22 HE ARG 22 -6.172 8.147 -5.623 162 1HH1 ARG 22 1HH1 ARG 22 -4.947 9.375 -2.462 163 2HH1 ARG 22 2HH1 ARG 22 -3.280 9.080 -3.008 164 1HH2 ARG 22 1HH2 ARG 22 -3.858 8.108 -6.209 165 2HH2 ARG 22 2HH2 ARG 22 -2.753 8.469 -4.875 166 H ILE 23 H ILE 23 -8.876 4.722 -2.025 167 HA ILE 23 HA ILE 23 -7.247 6.047 0.074 168 HB ILE 23 HB ILE 23 -7.456 3.064 -0.056 169 1HG1 ILE 23 1HG1 ILE 23 -9.801 3.502 -0.131 170 2HG1 ILE 23 2HG1 ILE 23 -9.249 2.788 1.374 171 1HG2 ILE 23 1HG2 ILE 23 -5.885 4.212 1.443 172 2HG2 ILE 23 2HG2 ILE 23 -7.222 5.068 2.225 173 3HG2 ILE 23 3HG2 ILE 23 -7.091 3.300 2.367 174 1HD1 ILE 23 1HD1 ILE 23 -9.573 4.822 2.593 175 2HD1 ILE 23 2HD1 ILE 23 -10.015 5.689 1.088 176 3HD1 ILE 23 3HD1 ILE 23 -11.046 4.382 1.716 177 H GLU 24 H GLU 24 -5.047 5.905 -0.212 178 HA GLU 24 HA GLU 24 -4.018 4.384 -2.578 179 1HB GLU 24 1HB GLU 24 -3.745 6.700 -2.838 180 2HB GLU 24 2HB GLU 24 -2.980 6.907 -1.253 181 1HG GLU 24 1HG GLU 24 -1.061 5.517 -2.046 182 2HG GLU 24 2HG GLU 24 -1.870 5.291 -3.599 183 H LEU 25 H LEU 25 -3.723 2.348 -1.615 184 HA LEU 25 HA LEU 25 -2.540 2.247 1.027 185 1HB LEU 25 1HB LEU 25 -2.971 -0.126 -0.789 186 2HB LEU 25 2HB LEU 25 -2.768 -0.099 0.943 187 HG LEU 25 HG LEU 25 -5.177 0.934 -0.631 188 1HD1 LEU 25 1HD1 LEU 25 -4.751 -1.547 1.093 189 2HD1 LEU 25 2HD1 LEU 25 -4.896 -1.504 -0.678 190 3HD1 LEU 25 3HD1 LEU 25 -6.283 -1.058 0.333 191 1HD2 LEU 25 1HD2 LEU 25 -4.854 2.179 1.506 192 2HD2 LEU 25 2HD2 LEU 25 -4.793 0.646 2.390 193 3HD2 LEU 25 3HD2 LEU 25 -6.285 1.138 1.557 194 H THR 26 H THR 26 -0.459 3.380 0.472 195 HA THR 26 HA THR 26 1.329 1.681 -1.137 196 HB THR 26 HB THR 26 1.925 3.990 -1.194 197 HG1 THR 26 HG1 THR 26 3.722 1.964 -0.313 198 1HG2 THR 26 1HG2 THR 26 3.334 3.638 1.441 199 2HG2 THR 26 2HG2 THR 26 1.838 4.605 1.237 200 3HG2 THR 26 3HG2 THR 26 3.323 5.030 0.344 201 H VAL 27 H VAL 27 1.566 -0.235 -0.479 202 HA VAL 27 HA VAL 27 2.309 -0.746 2.371 203 HB VAL 27 HB VAL 27 2.582 -3.092 1.711 204 1HG1 VAL 27 1HG1 VAL 27 -0.154 -1.998 0.940 205 2HG1 VAL 27 2HG1 VAL 27 0.217 -3.632 1.535 206 3HG1 VAL 27 3HG1 VAL 27 0.434 -2.235 2.600 207 1HG2 VAL 27 1HG2 VAL 27 3.126 -2.834 -0.690 208 2HG2 VAL 27 2HG2 VAL 27 1.812 -3.981 -0.416 209 3HG2 VAL 27 3HG2 VAL 27 1.442 -2.354 -1.019 210 H GLU 28 H GLU 28 4.461 -1.973 2.529 211 HA GLU 28 HA GLU 28 6.331 -1.430 0.361 212 1HB GLU 28 1HB GLU 28 6.782 -0.774 3.242 213 2HB GLU 28 2HB GLU 28 8.136 -1.343 2.247 214 1HG GLU 28 1HG GLU 28 7.958 0.424 0.753 215 2HG GLU 28 2HG GLU 28 6.329 0.863 1.284 216 H SER 29 H SER 29 6.089 -3.509 -0.477 217 HA SER 29 HA SER 29 6.700 -5.792 1.247 218 1HB SER 29 1HB SER 29 4.234 -5.071 1.667 219 2HB SER 29 2HB SER 29 3.928 -5.626 0.009 220 HG SER 29 HG SER 29 3.504 -7.299 1.405 221 H SER 30 H SER 30 6.143 -7.872 -0.096 222 HA SER 30 HA SER 30 7.693 -7.627 -2.556 223 1HB SER 30 1HB SER 30 7.748 -9.638 -0.996 224 2HB SER 30 2HB SER 30 6.119 -10.054 -1.568 225 HG SER 30 HG SER 30 7.601 -11.231 -2.847 226 H ALA 31 H ALA 31 6.957 -8.719 -4.522 227 HA ALA 31 HA ALA 31 4.530 -7.663 -5.709 228 1HB ALA 31 1HB ALA 31 5.180 -9.080 -7.617 229 2HB ALA 31 2HB ALA 31 6.555 -8.117 -7.040 230 3HB ALA 31 3HB ALA 31 6.445 -9.848 -6.635 231 H GLU 32 H GLU 32 5.490 -10.706 -4.101 232 HA GLU 32 HA GLU 32 3.288 -12.311 -4.954 233 1HB GLU 32 1HB GLU 32 4.933 -12.477 -2.399 234 2HB GLU 32 2HB GLU 32 3.951 -13.775 -3.063 235 1HG GLU 32 1HG GLU 32 5.519 -14.379 -4.611 236 2HG GLU 32 2HG GLU 32 6.023 -12.729 -4.949 237 H ASP 33 H ASP 33 3.898 -10.449 -1.977 238 HA ASP 33 HA ASP 33 1.358 -10.905 -0.735 239 1HB ASP 33 1HB ASP 33 3.306 -10.343 0.580 240 2HB ASP 33 2HB ASP 33 3.535 -8.843 -0.330 241 H LEU 34 H LEU 34 2.756 -8.117 -2.612 242 HA LEU 34 HA LEU 34 0.465 -6.515 -2.780 243 1HB LEU 34 1HB LEU 34 2.495 -5.739 -3.719 244 2HB LEU 34 2HB LEU 34 2.635 -7.104 -4.812 245 HG LEU 34 HG LEU 34 0.140 -5.496 -5.202 246 1HD1 LEU 34 1HD1 LEU 34 2.861 -4.320 -5.885 247 2HD1 LEU 34 2HD1 LEU 34 1.709 -3.723 -4.669 248 3HD1 LEU 34 3HD1 LEU 34 1.275 -3.674 -6.380 249 1HD2 LEU 34 1HD2 LEU 34 0.781 -7.295 -6.811 250 2HD2 LEU 34 2HD2 LEU 34 2.303 -6.455 -7.140 251 3HD2 LEU 34 3HD2 LEU 34 0.753 -5.714 -7.585 252 H ARG 35 H ARG 35 1.300 -9.323 -4.902 253 HA ARG 35 HA ARG 35 -1.058 -9.101 -6.476 254 1HB ARG 35 1HB ARG 35 0.893 -10.537 -7.121 255 2HB ARG 35 2HB ARG 35 0.488 -11.667 -5.824 256 1HG ARG 35 1HG ARG 35 -1.778 -11.965 -6.782 257 2HG ARG 35 2HG ARG 35 -1.355 -10.902 -8.126 258 1HD ARG 35 1HD ARG 35 0.165 -12.554 -9.007 259 2HD ARG 35 2HD ARG 35 0.051 -13.531 -7.515 260 HE ARG 35 HE ARG 35 -2.570 -13.116 -8.430 261 1HH1 ARG 35 1HH1 ARG 35 0.194 -14.990 -9.598 262 2HH1 ARG 35 2HH1 ARG 35 -0.796 -16.157 -10.413 263 1HH2 ARG 35 1HH2 ARG 35 -3.809 -14.508 -9.347 264 2HH2 ARG 35 2HH2 ARG 35 -3.229 -15.860 -10.300 265 H THR 36 H THR 36 -0.333 -11.191 -3.716 266 HA THR 36 HA THR 36 -2.787 -12.497 -3.532 267 HB THR 36 HB THR 36 -0.946 -11.675 -1.221 268 HG1 THR 36 HG1 THR 36 0.282 -12.737 -2.703 269 1HG2 THR 36 1HG2 THR 36 -1.725 -13.742 -0.126 270 2HG2 THR 36 2HG2 THR 36 -2.871 -14.029 -1.457 271 3HG2 THR 36 3HG2 THR 36 -3.066 -12.619 -0.386 272 H LEU 37 H LEU 37 -1.775 -9.509 -1.802 273 HA LEU 37 HA LEU 37 -4.286 -9.159 -0.548 274 1HB LEU 37 1HB LEU 37 -3.435 -7.398 0.526 275 2HB LEU 37 2HB LEU 37 -1.992 -8.277 0.122 276 HG LEU 37 HG LEU 37 -1.894 -6.596 -1.955 277 1HD1 LEU 37 1HD1 LEU 37 -3.687 -5.163 0.065 278 2HD1 LEU 37 2HD1 LEU 37 -4.008 -5.433 -1.667 279 3HD1 LEU 37 3HD1 LEU 37 -2.757 -4.310 -1.156 280 1HD2 LEU 37 1HD2 LEU 37 -0.543 -5.062 -0.565 281 2HD2 LEU 37 2HD2 LEU 37 -0.213 -6.753 -0.169 282 3HD2 LEU 37 3HD2 LEU 37 -1.236 -5.785 0.906 283 H GLN 38 H GLN 38 -2.991 -8.062 -3.676 284 HA GLN 38 HA GLN 38 -5.189 -6.420 -4.416 285 1HB GLN 38 1HB GLN 38 -2.927 -6.695 -5.654 286 2HB GLN 38 2HB GLN 38 -3.630 -8.138 -6.377 287 1HG GLN 38 1HG GLN 38 -4.052 -6.524 -7.965 288 2HG GLN 38 2HG GLN 38 -5.585 -6.568 -7.097 289 1HE2 GLN 38 1HE2 GLN 38 -2.379 -4.855 -7.138 290 2HE2 GLN 38 2HE2 GLN 38 -3.070 -3.308 -6.668 291 H GLN 39 H GLN 39 -4.674 -10.030 -4.711 292 HA GLN 39 HA GLN 39 -6.938 -10.570 -6.262 293 1HB GLN 39 1HB GLN 39 -6.098 -12.507 -4.158 294 2HB GLN 39 2HB GLN 39 -6.915 -12.774 -5.683 295 1HG GLN 39 1HG GLN 39 -4.053 -12.085 -5.233 296 2HG GLN 39 2HG GLN 39 -4.710 -13.624 -5.748 297 1HE2 GLN 39 1HE2 GLN 39 -4.418 -10.227 -6.798 298 2HE2 GLN 39 2HE2 GLN 39 -4.155 -10.605 -8.489 299 H LEU 40 H LEU 40 -6.517 -10.436 -2.673 300 HA LEU 40 HA LEU 40 -9.331 -11.071 -2.252 301 1HB LEU 40 1HB LEU 40 -8.919 -10.137 0.085 302 2HB LEU 40 2HB LEU 40 -8.242 -11.668 -0.453 303 HG LEU 40 HG LEU 40 -6.133 -10.018 -0.935 304 1HD1 LEU 40 1HD1 LEU 40 -7.337 -8.058 0.083 305 2HD1 LEU 40 2HD1 LEU 40 -5.852 -8.484 0.940 306 3HD1 LEU 40 3HD1 LEU 40 -7.415 -8.970 1.604 307 1HD2 LEU 40 1HD2 LEU 40 -5.175 -10.894 1.148 308 2HD2 LEU 40 2HD2 LEU 40 -6.030 -12.142 0.235 309 3HD2 LEU 40 3HD2 LEU 40 -6.791 -11.418 1.670 310 H PHE 41 H PHE 41 -7.599 -8.008 -2.171 311 HA PHE 41 HA PHE 41 -10.020 -6.469 -1.696 312 1HB PHE 41 1HB PHE 41 -7.295 -5.613 -2.653 313 2HB PHE 41 2HB PHE 41 -8.649 -4.505 -2.699 314 HD1 PHE 41 HD1 PHE 41 -6.030 -5.699 -0.580 315 HD2 PHE 41 HD2 PHE 41 -10.031 -4.104 -0.517 316 HE1 PHE 41 HE1 PHE 41 -5.770 -5.140 1.804 317 HE2 PHE 41 HE2 PHE 41 -9.791 -3.612 1.884 318 HZ PHE 41 HZ PHE 41 -7.663 -4.125 3.062 319 H LEU 42 H LEU 42 -8.690 -7.781 -4.662 320 HA LEU 42 HA LEU 42 -10.514 -6.442 -6.461 321 1HB LEU 42 1HB LEU 42 -8.333 -7.346 -7.135 322 2HB LEU 42 2HB LEU 42 -8.813 -8.961 -6.611 323 HG LEU 42 HG LEU 42 -10.512 -9.021 -8.447 324 1HD1 LEU 42 1HD1 LEU 42 -9.118 -6.419 -9.264 325 2HD1 LEU 42 2HD1 LEU 42 -10.826 -6.601 -8.800 326 3HD1 LEU 42 3HD1 LEU 42 -10.236 -7.353 -10.285 327 1HD2 LEU 42 1HD2 LEU 42 -8.287 -10.061 -8.637 328 2HD2 LEU 42 2HD2 LEU 42 -7.598 -8.524 -9.213 329 3HD2 LEU 42 3HD2 LEU 42 -8.799 -9.393 -10.193 330 H SER 43 H SER 43 -10.528 -9.481 -4.573 331 HA SER 43 HA SER 43 -12.820 -10.669 -5.782 332 1HB SER 43 1HB SER 43 -11.287 -11.989 -4.485 333 2HB SER 43 2HB SER 43 -11.461 -10.964 -3.071 334 HG SER 43 HG SER 43 -13.430 -11.751 -2.643 335 H THR 44 H THR 44 -12.534 -9.091 -2.601 336 HA THR 44 HA THR 44 -15.304 -8.255 -2.617 337 HB THR 44 HB THR 44 -15.435 -9.787 -0.386 338 HG1 THR 44 HG1 THR 44 -14.325 -11.618 -0.535 339 1HG2 THR 44 1HG2 THR 44 -17.015 -9.903 -2.302 340 2HG2 THR 44 2HG2 THR 44 -16.656 -11.482 -1.581 341 3HG2 THR 44 3HG2 THR 44 -15.905 -11.025 -3.120 342 H LEU 45 H LEU 45 -12.299 -8.707 -0.736 343 HA LEU 45 HA LEU 45 -13.146 -7.195 1.509 344 1HB LEU 45 1HB LEU 45 -11.053 -8.736 1.236 345 2HB LEU 45 2HB LEU 45 -10.278 -7.328 0.513 346 HG LEU 45 HG LEU 45 -10.865 -6.045 2.663 347 1HD1 LEU 45 1HD1 LEU 45 -11.481 -8.876 3.646 348 2HD1 LEU 45 2HD1 LEU 45 -12.636 -7.530 3.568 349 3HD1 LEU 45 3HD1 LEU 45 -11.275 -7.456 4.690 350 1HD2 LEU 45 1HD2 LEU 45 -9.095 -8.492 3.031 351 2HD2 LEU 45 2HD2 LEU 45 -8.999 -6.960 3.926 352 3HD2 LEU 45 3HD2 LEU 45 -8.607 -6.994 2.202 353 H SER 46 H SER 46 -12.934 -4.912 2.001 354 HA SER 46 HA SER 46 -12.228 -3.110 -0.197 355 1HB SER 46 1HB SER 46 -14.997 -3.273 1.061 356 2HB SER 46 2HB SER 46 -14.438 -2.050 -0.095 357 HG SER 46 HG SER 46 -14.633 -4.857 -0.658 358 H PHE 47 H PHE 47 -12.335 -0.787 0.714 359 HA PHE 47 HA PHE 47 -11.104 -1.074 3.414 360 1HB PHE 47 1HB PHE 47 -9.844 -0.715 1.092 361 2HB PHE 47 2HB PHE 47 -10.212 0.947 1.390 362 HD1 PHE 47 HD1 PHE 47 -7.925 -1.720 1.992 363 HD2 PHE 47 HD2 PHE 47 -9.556 1.800 3.852 364 HE1 PHE 47 HE1 PHE 47 -6.056 -1.713 3.615 365 HE2 PHE 47 HE2 PHE 47 -7.663 1.828 5.467 366 HZ PHE 47 HZ PHE 47 -5.918 0.060 5.355 367 H VAL 48 H VAL 48 -13.367 -0.483 4.257 368 HA VAL 48 HA VAL 48 -14.345 2.081 3.649 369 HB VAL 48 HB VAL 48 -15.877 1.857 5.533 370 1HG1 VAL 48 1HG1 VAL 48 -17.167 0.029 4.589 371 2HG1 VAL 48 2HG1 VAL 48 -16.360 0.917 3.291 372 3HG1 VAL 48 3HG1 VAL 48 -15.726 -0.658 3.816 373 1HG2 VAL 48 1HG2 VAL 48 -14.566 0.586 7.173 374 2HG2 VAL 48 2HG2 VAL 48 -16.078 -0.236 6.795 375 3HG2 VAL 48 3HG2 VAL 48 -14.555 -0.833 6.098 376 H CYS 49 H CYS 49 -13.502 3.883 4.042 377 HA CYS 49 HA CYS 49 -11.234 4.352 5.609 378 1HB CYS 49 1HB CYS 49 -11.800 6.787 5.228 379 2HB CYS 49 2HB CYS 49 -11.768 5.789 3.785 380 HA PRO 50 HA PRO 50 -12.582 4.503 9.688 381 1HB PRO 50 1HB PRO 50 -11.172 6.560 10.917 382 2HB PRO 50 2HB PRO 50 -10.504 4.966 10.459 383 1HG PRO 50 1HG PRO 50 -10.369 7.562 8.903 384 2HG PRO 50 2HG PRO 50 -9.049 6.392 9.230 385 1HD PRO 50 1HD PRO 50 -10.362 6.381 6.871 386 2HD PRO 50 2HD PRO 50 -9.926 4.835 7.661 387 H TRP 51 H TRP 51 -12.977 7.598 8.002 388 HA TRP 51 HA TRP 51 -14.882 8.760 9.791 389 1HB TRP 51 1HB TRP 51 -13.826 10.046 7.992 390 2HB TRP 51 2HB TRP 51 -14.577 9.011 6.776 391 HD1 TRP 51 HD1 TRP 51 -15.534 11.626 9.443 392 HE1 TRP 51 HE1 TRP 51 -17.841 12.620 8.887 393 HE3 TRP 51 HE3 TRP 51 -16.678 8.814 5.323 394 HZ2 TRP 51 HZ2 TRP 51 -19.961 12.162 6.992 395 HZ3 TRP 51 HZ3 TRP 51 -18.858 9.100 4.174 396 HH2 TRP 51 HH2 TRP 51 -20.509 10.755 5.009 397 H CYS 52 H CYS 52 -15.260 6.609 6.907 398 HA CYS 52 HA CYS 52 -18.117 6.370 7.131 399 1HB CYS 52 1HB CYS 52 -15.902 4.925 5.663 400 2HB CYS 52 2HB CYS 52 -17.499 4.231 5.730 401 H ALA 53 H ALA 53 -15.375 4.461 8.450 402 HA ALA 53 HA ALA 53 -16.977 2.402 9.608 403 1HB ALA 53 1HB ALA 53 -14.480 2.337 9.402 404 2HB ALA 53 2HB ALA 53 -14.374 3.555 10.698 405 3HB ALA 53 3HB ALA 53 -15.061 1.959 11.038 406 H THR 54 H THR 54 -16.087 5.644 10.808 407 HA THR 54 HA THR 54 -17.265 5.308 13.415 408 HB THR 54 HB THR 54 -16.551 7.859 11.899 409 HG1 THR 54 HG1 THR 54 -14.728 6.595 12.012 410 1HG2 THR 54 1HG2 THR 54 -16.771 7.321 14.891 411 2HG2 THR 54 2HG2 THR 54 -17.884 8.321 13.929 412 3HG2 THR 54 3HG2 THR 54 -16.201 8.827 14.139 413 H ASN 55 H ASN 55 -18.422 6.742 10.341 414 HA ASN 55 HA ASN 55 -20.874 7.757 11.618 415 1HB ASN 55 1HB ASN 55 -19.841 7.871 8.751 416 2HB ASN 55 2HB ASN 55 -21.407 8.506 9.250 417 1HD2 ASN 55 1HD2 ASN 55 -17.905 8.769 10.006 418 2HD2 ASN 55 2HD2 ASN 55 -18.032 10.414 10.605 419 H GLN 56 H GLN 56 -19.932 5.003 9.852 420 HA GLN 56 HA GLN 56 -20.900 3.022 9.369 421 1HB GLN 56 1HB GLN 56 -22.359 3.463 11.455 422 2HB GLN 56 2HB GLN 56 -23.611 3.965 10.311 423 1HG GLN 56 1HG GLN 56 -23.436 1.676 9.234 424 2HG GLN 56 2HG GLN 56 -22.249 1.238 10.467 425 1HE2 GLN 56 1HE2 GLN 56 -25.598 2.625 10.196 426 2HE2 GLN 56 2HE2 GLN 56 -26.207 1.723 11.585 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 12.280 12.970 -8.509 2 1HA GLY 1 1HA GLY 1 13.352 12.587 -6.381 3 2HA GLY 1 2HA GLY 1 12.951 11.068 -7.218 4 H SER 2 H SER 2 14.914 10.899 -5.312 5 HA SER 2 HA SER 2 17.383 10.531 -6.907 6 1HB SER 2 1HB SER 2 17.527 12.719 -5.758 7 2HB SER 2 2HB SER 2 17.236 11.911 -4.199 8 HG SER 2 HG SER 2 19.087 10.574 -4.796 9 H HIS 3 H HIS 3 15.218 8.653 -5.787 10 HA HIS 3 HA HIS 3 17.151 6.756 -4.845 11 1HB HIS 3 1HB HIS 3 15.932 7.731 -2.747 12 2HB HIS 3 2HB HIS 3 14.517 6.850 -3.331 13 HD1 HIS 3 HD1 HIS 3 14.449 4.367 -2.105 14 HD2 HIS 3 HD2 HIS 3 18.317 6.025 -2.773 15 HE1 HIS 3 HE1 HIS 3 16.107 2.725 -1.255 16 H MET 4 H MET 4 15.924 4.546 -4.836 17 HA MET 4 HA MET 4 15.063 4.101 -7.532 18 1HB MET 4 1HB MET 4 16.468 2.595 -6.205 19 2HB MET 4 2HB MET 4 15.191 2.374 -5.021 20 1HG MET 4 1HG MET 4 13.815 1.234 -6.730 21 2HG MET 4 2HG MET 4 15.100 1.452 -7.922 22 1HE MET 4 1HE MET 4 17.308 0.089 -7.971 23 2HE MET 4 2HE MET 4 17.793 0.698 -6.368 24 3HE MET 4 3HE MET 4 17.831 -1.044 -6.705 25 H ALA 5 H ALA 5 12.993 2.980 -8.141 26 HA ALA 5 HA ALA 5 10.673 3.609 -6.532 27 1HB ALA 5 1HB ALA 5 10.956 2.473 -9.336 28 2HB ALA 5 2HB ALA 5 9.421 2.743 -8.481 29 3HB ALA 5 3HB ALA 5 10.454 4.130 -8.908 30 H GLU 6 H GLU 6 10.908 2.160 -4.819 31 HA GLU 6 HA GLU 6 12.436 -0.200 -5.272 32 1HB GLU 6 1HB GLU 6 11.092 0.901 -2.781 33 2HB GLU 6 2HB GLU 6 12.268 -0.431 -2.801 34 1HG GLU 6 1HG GLU 6 14.012 0.988 -3.647 35 2HG GLU 6 2HG GLU 6 12.917 2.303 -3.987 36 HA PRO 7 HA PRO 7 9.095 -3.101 -5.716 37 1HB PRO 7 1HB PRO 7 10.408 -5.460 -5.534 38 2HB PRO 7 2HB PRO 7 10.827 -4.266 -6.793 39 1HG PRO 7 1HG PRO 7 12.194 -4.662 -4.104 40 2HG PRO 7 2HG PRO 7 12.953 -4.608 -5.730 41 1HD PRO 7 1HD PRO 7 12.763 -2.396 -4.089 42 2HD PRO 7 2HD PRO 7 12.696 -2.273 -5.874 43 H GLN 8 H GLN 8 8.828 -1.879 -3.336 44 HA GLN 8 HA GLN 8 7.778 -3.937 -1.598 45 1HB GLN 8 1HB GLN 8 10.351 -3.624 -1.015 46 2HB GLN 8 2HB GLN 8 9.810 -2.153 -0.231 47 1HG GLN 8 1HG GLN 8 9.841 -3.830 1.429 48 2HG GLN 8 2HG GLN 8 8.146 -3.567 1.064 49 1HE2 GLN 8 1HE2 GLN 8 9.357 -5.539 -1.579 50 2HE2 GLN 8 2HE2 GLN 8 8.908 -7.043 -0.761 51 H ARG 9 H ARG 9 8.851 -0.537 -1.120 52 HA ARG 9 HA ARG 9 6.510 0.590 -0.125 53 1HB ARG 9 1HB ARG 9 8.827 1.533 -0.130 54 2HB ARG 9 2HB ARG 9 8.672 1.816 -1.857 55 1HG ARG 9 1HG ARG 9 6.425 3.027 -0.539 56 2HG ARG 9 2HG ARG 9 7.892 3.490 0.329 57 1HD ARG 9 1HD ARG 9 7.306 3.838 -2.621 58 2HD ARG 9 2HD ARG 9 7.360 5.120 -1.394 59 HE ARG 9 HE ARG 9 9.841 4.067 -1.149 60 1HH1 ARG 9 1HH1 ARG 9 8.152 5.094 -4.070 61 2HH1 ARG 9 2HH1 ARG 9 9.609 5.359 -4.985 62 1HH2 ARG 9 1HH2 ARG 9 11.791 4.188 -2.435 63 2HH2 ARG 9 2HH2 ARG 9 11.698 4.756 -4.047 64 H HIS 10 H HIS 10 4.696 -0.016 -1.047 65 HA HIS 10 HA HIS 10 4.226 0.625 -3.961 66 1HB HIS 10 1HB HIS 10 3.284 -1.721 -2.268 67 2HB HIS 10 2HB HIS 10 2.683 -1.340 -3.883 68 HD1 HIS 10 HD1 HIS 10 4.459 -4.082 -3.050 69 HD2 HIS 10 HD2 HIS 10 5.905 -0.583 -4.756 70 HE1 HIS 10 HE1 HIS 10 6.348 -4.785 -4.515 71 H LYS 11 H LYS 11 2.210 1.539 -4.556 72 HA LYS 11 HA LYS 11 0.538 2.429 -2.260 73 1HB LYS 11 1HB LYS 11 0.698 3.958 -4.843 74 2HB LYS 11 2HB LYS 11 0.130 4.439 -3.241 75 1HG LYS 11 1HG LYS 11 2.670 4.004 -2.561 76 2HG LYS 11 2HG LYS 11 2.944 4.115 -4.292 77 1HD LYS 11 1HD LYS 11 2.290 6.207 -2.279 78 2HD LYS 11 2HD LYS 11 3.371 6.296 -3.643 79 1HE LYS 11 1HE LYS 11 1.668 6.944 -5.129 80 2HE LYS 11 2HE LYS 11 0.395 6.207 -4.154 81 1HZ LYS 11 1HZ LYS 11 0.675 7.846 -2.473 82 2HZ LYS 11 2HZ LYS 11 0.218 8.514 -3.852 83 3HZ LYS 11 3HZ LYS 11 1.811 8.668 -3.372 84 H ILE 12 H ILE 12 -0.739 0.614 -2.277 85 HA ILE 12 HA ILE 12 -2.152 -0.129 -4.772 86 HB ILE 12 HB ILE 12 -2.399 -1.373 -2.014 87 1HG1 ILE 12 1HG1 ILE 12 -0.785 -2.408 -4.365 88 2HG1 ILE 12 2HG1 ILE 12 -0.087 -1.573 -2.973 89 1HG2 ILE 12 1HG2 ILE 12 -3.346 -2.261 -4.780 90 2HG2 ILE 12 2HG2 ILE 12 -3.499 -3.225 -3.290 91 3HG2 ILE 12 3HG2 ILE 12 -4.379 -1.718 -3.453 92 1HD1 ILE 12 1HD1 ILE 12 -1.485 -4.254 -2.931 93 2HD1 ILE 12 2HD1 ILE 12 0.189 -3.872 -2.510 94 3HD1 ILE 12 3HD1 ILE 12 -1.118 -3.311 -1.462 95 H LEU 13 H LEU 13 -3.629 1.413 -5.251 96 HA LEU 13 HA LEU 13 -5.249 2.775 -3.321 97 1HB LEU 13 1HB LEU 13 -4.473 3.711 -5.476 98 2HB LEU 13 2HB LEU 13 -5.568 2.643 -6.345 99 HG LEU 13 HG LEU 13 -6.781 4.306 -4.135 100 1HD1 LEU 13 1HD1 LEU 13 -6.870 6.309 -5.591 101 2HD1 LEU 13 2HD1 LEU 13 -5.783 5.498 -6.739 102 3HD1 LEU 13 3HD1 LEU 13 -5.214 5.874 -5.097 103 1HD2 LEU 13 1HD2 LEU 13 -8.241 2.890 -5.567 104 2HD2 LEU 13 2HD2 LEU 13 -7.659 3.739 -7.010 105 3HD2 LEU 13 3HD2 LEU 13 -8.613 4.597 -5.779 106 H CYS 14 H CYS 14 -6.534 1.479 -2.152 107 HA CYS 14 HA CYS 14 -8.547 -0.225 -3.535 108 1HB CYS 14 1HB CYS 14 -7.373 -1.031 -1.419 109 2HB CYS 14 2HB CYS 14 -8.193 0.268 -0.541 110 HG CYS 14 HG CYS 14 -9.442 -2.265 -2.281 111 H VAL 15 H VAL 15 -10.833 0.366 -2.075 112 HA VAL 15 HA VAL 15 -11.160 3.265 -1.934 113 HB VAL 15 HB VAL 15 -13.336 3.150 -3.142 114 1HG1 VAL 15 1HG1 VAL 15 -10.932 2.527 -4.902 115 2HG1 VAL 15 2HG1 VAL 15 -12.441 3.325 -5.392 116 3HG1 VAL 15 3HG1 VAL 15 -11.368 4.121 -4.244 117 1HG2 VAL 15 1HG2 VAL 15 -12.338 0.481 -4.233 118 2HG2 VAL 15 2HG2 VAL 15 -13.690 0.691 -3.094 119 3HG2 VAL 15 3HG2 VAL 15 -13.797 1.361 -4.725 120 H CYS 16 H CYS 16 -13.008 3.868 -0.782 121 HA CYS 16 HA CYS 16 -13.677 2.273 1.506 122 1HB CYS 16 1HB CYS 16 -13.526 4.790 1.500 123 2HB CYS 16 2HB CYS 16 -14.967 4.816 0.459 124 H CYS 17 H CYS 17 -14.973 0.656 1.329 125 HA CYS 17 HA CYS 17 -16.592 -0.125 -0.782 126 1HB CYS 17 1HB CYS 17 -15.656 -1.420 1.293 127 2HB CYS 17 2HB CYS 17 -17.182 -0.980 2.070 128 HG CYS 17 HG CYS 17 -16.617 -2.665 -0.736 129 H LYS 18 H LYS 18 -17.497 2.215 1.654 130 HA LYS 18 HA LYS 18 -20.355 2.005 0.826 131 1HB LYS 18 1HB LYS 18 -20.699 3.351 3.004 132 2HB LYS 18 2HB LYS 18 -20.449 1.599 3.047 133 1HG LYS 18 1HG LYS 18 -18.204 1.834 3.818 134 2HG LYS 18 2HG LYS 18 -18.198 3.568 3.480 135 1HD LYS 18 1HD LYS 18 -18.350 2.925 5.864 136 2HD LYS 18 2HD LYS 18 -19.568 4.075 5.334 137 1HE LYS 18 1HE LYS 18 -20.347 1.161 5.329 138 2HE LYS 18 2HE LYS 18 -20.003 1.905 6.897 139 1HZ LYS 18 1HZ LYS 18 -22.193 2.375 6.688 140 2HZ LYS 18 2HZ LYS 18 -22.117 2.797 5.048 141 3HZ LYS 18 3HZ LYS 18 -21.505 3.705 6.324 142 H CYS 19 H CYS 19 -17.637 4.324 0.625 143 HA CYS 19 HA CYS 19 -19.613 6.182 -0.540 144 1HB CYS 19 1HB CYS 19 -18.419 7.922 0.349 145 2HB CYS 19 2HB CYS 19 -18.704 6.834 1.689 146 H ASP 20 H ASP 20 -17.123 4.102 -1.425 147 HA ASP 20 HA ASP 20 -15.663 3.920 -3.025 148 1HB ASP 20 1HB ASP 20 -17.764 4.228 -4.335 149 2HB ASP 20 2HB ASP 20 -17.307 5.913 -4.588 150 H GLY 21 H GLY 21 -15.132 5.954 -0.992 151 1HA GLY 21 1HA GLY 21 -13.540 8.037 -2.412 152 2HA GLY 21 2HA GLY 21 -13.623 7.859 -0.655 153 H ARG 22 H ARG 22 -11.288 8.097 -2.325 154 HA ARG 22 HA ARG 22 -10.358 5.406 -2.841 155 1HB ARG 22 1HB ARG 22 -8.574 6.306 -3.972 156 2HB ARG 22 2HB ARG 22 -9.942 7.363 -4.292 157 1HG ARG 22 1HG ARG 22 -8.323 8.937 -4.005 158 2HG ARG 22 2HG ARG 22 -8.875 8.823 -2.324 159 1HD ARG 22 1HD ARG 22 -6.995 7.254 -1.845 160 2HD ARG 22 2HD ARG 22 -6.534 7.283 -3.537 161 HE ARG 22 HE ARG 22 -6.446 9.686 -1.767 162 1HH1 ARG 22 1HH1 ARG 22 -4.786 7.785 -4.327 163 2HH1 ARG 22 2HH1 ARG 22 -3.201 8.197 -3.641 164 1HH2 ARG 22 1HH2 ARG 22 -4.188 10.333 -1.187 165 2HH2 ARG 22 2HH2 ARG 22 -2.915 9.519 -2.095 166 H ILE 23 H ILE 23 -8.807 4.178 -1.880 167 HA ILE 23 HA ILE 23 -7.813 5.168 0.717 168 HB ILE 23 HB ILE 23 -8.682 2.354 -0.022 169 1HG1 ILE 23 1HG1 ILE 23 -10.577 3.877 0.278 170 2HG1 ILE 23 2HG1 ILE 23 -10.511 2.555 1.437 171 1HG2 ILE 23 1HG2 ILE 23 -6.821 2.277 1.517 172 2HG2 ILE 23 2HG2 ILE 23 -7.588 3.444 2.600 173 3HG2 ILE 23 3HG2 ILE 23 -8.299 1.824 2.374 174 1HD1 ILE 23 1HD1 ILE 23 -11.269 4.650 2.427 175 2HD1 ILE 23 2HD1 ILE 23 -9.774 4.101 3.198 176 3HD1 ILE 23 3HD1 ILE 23 -9.735 5.441 2.020 177 H GLU 24 H GLU 24 -5.918 5.759 0.095 178 HA GLU 24 HA GLU 24 -4.248 4.270 -1.815 179 1HB GLU 24 1HB GLU 24 -4.255 6.796 -1.512 180 2HB GLU 24 2HB GLU 24 -3.319 6.567 -0.041 181 1HG GLU 24 1HG GLU 24 -1.707 5.155 -1.490 182 2HG GLU 24 2HG GLU 24 -2.588 5.747 -2.889 183 H LEU 25 H LEU 25 -3.839 2.168 -0.952 184 HA LEU 25 HA LEU 25 -2.731 1.969 1.750 185 1HB LEU 25 1HB LEU 25 -2.715 -0.194 -0.336 186 2HB LEU 25 2HB LEU 25 -2.561 -0.373 1.388 187 HG LEU 25 HG LEU 25 -5.102 0.574 -0.036 188 1HD1 LEU 25 1HD1 LEU 25 -4.332 -2.199 0.952 189 2HD1 LEU 25 2HD1 LEU 25 -4.514 -1.684 -0.737 190 3HD1 LEU 25 3HD1 LEU 25 -5.926 -1.711 0.318 191 1HD2 LEU 25 1HD2 LEU 25 -4.901 1.230 2.387 192 2HD2 LEU 25 2HD2 LEU 25 -4.624 -0.469 2.811 193 3HD2 LEU 25 3HD2 LEU 25 -6.181 0.038 2.128 194 H THR 26 H THR 26 -1.119 3.656 1.173 195 HA THR 26 HA THR 26 1.230 2.740 -0.345 196 HB THR 26 HB THR 26 0.817 5.210 1.345 197 HG1 THR 26 HG1 THR 26 0.343 6.009 -0.705 198 1HG2 THR 26 1HG2 THR 26 3.241 4.294 -0.279 199 2HG2 THR 26 2HG2 THR 26 3.204 4.564 1.472 200 3HG2 THR 26 3HG2 THR 26 2.995 5.935 0.370 201 H VAL 27 H VAL 27 1.959 0.886 0.373 202 HA VAL 27 HA VAL 27 2.765 0.585 3.202 203 HB VAL 27 HB VAL 27 1.785 -1.664 3.254 204 1HG1 VAL 27 1HG1 VAL 27 -0.389 0.341 2.555 205 2HG1 VAL 27 2HG1 VAL 27 -0.543 -1.110 3.562 206 3HG1 VAL 27 3HG1 VAL 27 0.453 0.249 4.113 207 1HG2 VAL 27 1HG2 VAL 27 0.505 -1.047 0.554 208 2HG2 VAL 27 2HG2 VAL 27 1.745 -2.272 0.875 209 3HG2 VAL 27 3HG2 VAL 27 0.137 -2.444 1.582 210 H GLU 28 H GLU 28 4.443 -1.034 3.437 211 HA GLU 28 HA GLU 28 5.945 -1.449 0.949 212 1HB GLU 28 1HB GLU 28 6.707 -1.410 3.846 213 2HB GLU 28 2HB GLU 28 7.806 -1.938 2.586 214 1HG GLU 28 1HG GLU 28 8.196 0.392 3.159 215 2HG GLU 28 2HG GLU 28 7.738 0.213 1.515 216 H SER 29 H SER 29 5.319 -3.374 -0.071 217 HA SER 29 HA SER 29 5.904 -5.802 1.421 218 1HB SER 29 1HB SER 29 3.370 -5.300 1.822 219 2HB SER 29 2HB SER 29 3.177 -5.741 0.111 220 HG SER 29 HG SER 29 2.876 -7.590 1.292 221 H SER 30 H SER 30 6.036 -7.643 -0.024 222 HA SER 30 HA SER 30 7.338 -6.882 -2.468 223 1HB SER 30 1HB SER 30 6.540 -9.662 -1.505 224 2HB SER 30 2HB SER 30 7.721 -9.285 -2.779 225 HG SER 30 HG SER 30 8.688 -9.652 -0.747 226 H ALA 31 H ALA 31 6.922 -7.979 -4.611 227 HA ALA 31 HA ALA 31 4.450 -6.984 -5.627 228 1HB ALA 31 1HB ALA 31 6.497 -8.867 -6.878 229 2HB ALA 31 2HB ALA 31 5.222 -7.983 -7.744 230 3HB ALA 31 3HB ALA 31 6.531 -7.088 -6.946 231 H GLU 32 H GLU 32 5.584 -10.206 -4.742 232 HA GLU 32 HA GLU 32 3.487 -11.805 -5.692 233 1HB GLU 32 1HB GLU 32 5.025 -12.234 -3.088 234 2HB GLU 32 2HB GLU 32 4.241 -13.449 -4.091 235 1HG GLU 32 1HG GLU 32 6.415 -13.770 -4.757 236 2HG GLU 32 2HG GLU 32 5.950 -12.563 -5.951 237 H ASP 33 H ASP 33 3.829 -10.194 -2.507 238 HA ASP 33 HA ASP 33 1.313 -11.109 -1.473 239 1HB ASP 33 1HB ASP 33 3.107 -10.542 0.042 240 2HB ASP 33 2HB ASP 33 3.217 -8.909 -0.631 241 H LEU 34 H LEU 34 2.515 -8.018 -2.844 242 HA LEU 34 HA LEU 34 0.124 -6.548 -2.880 243 1HB LEU 34 1HB LEU 34 2.184 -5.547 -3.535 244 2HB LEU 34 2HB LEU 34 2.392 -6.631 -4.899 245 HG LEU 34 HG LEU 34 -0.105 -4.928 -4.870 246 1HD1 LEU 34 1HD1 LEU 34 1.708 -3.367 -4.225 247 2HD1 LEU 34 2HD1 LEU 34 1.121 -3.026 -5.859 248 3HD1 LEU 34 3HD1 LEU 34 2.664 -3.876 -5.629 249 1HD2 LEU 34 1HD2 LEU 34 1.818 -5.795 -7.086 250 2HD2 LEU 34 2HD2 LEU 34 0.386 -4.771 -7.318 251 3HD2 LEU 34 3HD2 LEU 34 0.189 -6.434 -6.802 252 H ARG 35 H ARG 35 1.223 -8.974 -5.294 253 HA ARG 35 HA ARG 35 -1.058 -8.724 -7.005 254 1HB ARG 35 1HB ARG 35 1.132 -9.792 -7.627 255 2HB ARG 35 2HB ARG 35 0.737 -11.158 -6.589 256 1HG ARG 35 1HG ARG 35 -1.291 -11.625 -7.930 257 2HG ARG 35 2HG ARG 35 -0.897 -10.262 -9.001 258 1HD ARG 35 1HD ARG 35 1.179 -11.382 -9.681 259 2HD ARG 35 2HD ARG 35 0.888 -12.682 -8.501 260 HE ARG 35 HE ARG 35 -1.355 -12.429 -10.234 261 1HH1 ARG 35 1HH1 ARG 35 1.963 -13.631 -10.276 262 2HH1 ARG 35 2HH1 ARG 35 1.689 -14.842 -11.481 263 1HH2 ARG 35 1HH2 ARG 35 -1.760 -14.033 -11.844 264 2HH2 ARG 35 2HH2 ARG 35 -0.488 -15.060 -12.394 265 H THR 36 H THR 36 -0.227 -11.063 -4.456 266 HA THR 36 HA THR 36 -2.540 -12.675 -4.645 267 HB THR 36 HB THR 36 -0.875 -12.077 -2.167 268 HG1 THR 36 HG1 THR 36 0.503 -12.751 -3.751 269 1HG2 THR 36 1HG2 THR 36 -1.469 -14.398 -1.517 270 2HG2 THR 36 2HG2 THR 36 -2.547 -14.519 -2.924 271 3HG2 THR 36 3HG2 THR 36 -2.907 -13.369 -1.616 272 H LEU 37 H LEU 37 -1.908 -9.895 -2.401 273 HA LEU 37 HA LEU 37 -4.579 -9.948 -1.375 274 1HB LEU 37 1HB LEU 37 -4.039 -8.163 -0.066 275 2HB LEU 37 2HB LEU 37 -2.504 -8.963 -0.299 276 HG LEU 37 HG LEU 37 -2.197 -7.144 -2.235 277 1HD1 LEU 37 1HD1 LEU 37 -4.194 -5.804 -0.340 278 2HD1 LEU 37 2HD1 LEU 37 -4.448 -6.097 -2.071 279 3HD1 LEU 37 3HD1 LEU 37 -3.216 -4.957 -1.542 280 1HD2 LEU 37 1HD2 LEU 37 -1.970 -6.495 0.734 281 2HD2 LEU 37 2HD2 LEU 37 -1.089 -5.685 -0.580 282 3HD2 LEU 37 3HD2 LEU 37 -0.779 -7.387 -0.229 283 H GLN 38 H GLN 38 -3.124 -8.406 -4.264 284 HA GLN 38 HA GLN 38 -5.271 -6.740 -4.958 285 1HB GLN 38 1HB GLN 38 -2.985 -7.616 -6.357 286 2HB GLN 38 2HB GLN 38 -4.279 -8.362 -7.234 287 1HG GLN 38 1HG GLN 38 -3.984 -6.353 -8.266 288 2HG GLN 38 2HG GLN 38 -5.451 -6.168 -7.317 289 1HE2 GLN 38 1HE2 GLN 38 -2.417 -6.005 -5.373 290 2HE2 GLN 38 2HE2 GLN 38 -2.487 -4.252 -5.267 291 H GLN 39 H GLN 39 -4.739 -10.242 -5.571 292 HA GLN 39 HA GLN 39 -7.090 -10.680 -7.030 293 1HB GLN 39 1HB GLN 39 -5.916 -12.792 -5.265 294 2HB GLN 39 2HB GLN 39 -6.885 -12.954 -6.738 295 1HG GLN 39 1HG GLN 39 -4.013 -12.197 -6.431 296 2HG GLN 39 2HG GLN 39 -4.710 -13.551 -7.303 297 1HE2 GLN 39 1HE2 GLN 39 -3.462 -10.424 -7.590 298 2HE2 GLN 39 2HE2 GLN 39 -3.908 -10.145 -9.281 299 H LEU 40 H LEU 40 -6.429 -10.979 -3.498 300 HA LEU 40 HA LEU 40 -9.038 -11.837 -2.699 301 1HB LEU 40 1HB LEU 40 -7.048 -10.124 -1.160 302 2HB LEU 40 2HB LEU 40 -8.464 -10.902 -0.471 303 HG LEU 40 HG LEU 40 -6.118 -12.384 -1.733 304 1HD1 LEU 40 1HD1 LEU 40 -5.547 -13.004 0.571 305 2HD1 LEU 40 2HD1 LEU 40 -6.894 -12.023 1.192 306 3HD1 LEU 40 3HD1 LEU 40 -5.520 -11.248 0.375 307 1HD2 LEU 40 1HD2 LEU 40 -7.145 -14.393 -0.672 308 2HD2 LEU 40 2HD2 LEU 40 -8.155 -13.717 -1.947 309 3HD2 LEU 40 3HD2 LEU 40 -8.569 -13.421 -0.241 310 H PHE 41 H PHE 41 -7.772 -8.489 -3.014 311 HA PHE 41 HA PHE 41 -10.308 -7.313 -2.225 312 1HB PHE 41 1HB PHE 41 -7.704 -6.232 -3.306 313 2HB PHE 41 2HB PHE 41 -9.140 -5.222 -3.251 314 HD1 PHE 41 HD1 PHE 41 -6.738 -7.107 -1.051 315 HD2 PHE 41 HD2 PHE 41 -10.051 -4.362 -1.200 316 HE1 PHE 41 HE1 PHE 41 -6.469 -6.691 1.337 317 HE2 PHE 41 HE2 PHE 41 -9.743 -3.924 1.229 318 HZ PHE 41 HZ PHE 41 -8.010 -5.131 2.507 319 H LEU 42 H LEU 42 -8.979 -8.320 -5.375 320 HA LEU 42 HA LEU 42 -11.177 -7.207 -6.902 321 1HB LEU 42 1HB LEU 42 -9.036 -9.266 -7.363 322 2HB LEU 42 2HB LEU 42 -10.493 -9.430 -8.311 323 HG LEU 42 HG LEU 42 -8.878 -8.244 -9.565 324 1HD1 LEU 42 1HD1 LEU 42 -10.987 -6.207 -8.785 325 2HD1 LEU 42 2HD1 LEU 42 -11.282 -7.621 -9.819 326 3HD1 LEU 42 3HD1 LEU 42 -10.141 -6.368 -10.327 327 1HD2 LEU 42 1HD2 LEU 42 -8.780 -6.152 -7.367 328 2HD2 LEU 42 2HD2 LEU 42 -8.057 -5.981 -8.981 329 3HD2 LEU 42 3HD2 LEU 42 -7.477 -7.243 -7.893 330 H SER 43 H SER 43 -10.622 -10.328 -5.262 331 HA SER 43 HA SER 43 -12.906 -11.650 -6.225 332 1HB SER 43 1HB SER 43 -10.838 -12.628 -5.147 333 2HB SER 43 2HB SER 43 -11.471 -12.139 -3.575 334 HG SER 43 HG SER 43 -12.005 -14.300 -4.112 335 H THR 44 H THR 44 -12.419 -10.059 -3.049 336 HA THR 44 HA THR 44 -15.213 -9.373 -2.854 337 HB THR 44 HB THR 44 -14.122 -11.610 -1.090 338 HG1 THR 44 HG1 THR 44 -15.373 -11.676 -3.376 339 1HG2 THR 44 1HG2 THR 44 -16.824 -10.220 -0.873 340 2HG2 THR 44 2HG2 THR 44 -15.552 -10.277 0.372 341 3HG2 THR 44 3HG2 THR 44 -16.401 -11.757 -0.085 342 H LEU 45 H LEU 45 -11.942 -9.246 -1.444 343 HA LEU 45 HA LEU 45 -12.845 -8.007 0.981 344 1HB LEU 45 1HB LEU 45 -10.417 -9.072 -0.023 345 2HB LEU 45 2HB LEU 45 -10.057 -7.397 0.311 346 HG LEU 45 HG LEU 45 -11.301 -9.385 2.267 347 1HD1 LEU 45 1HD1 LEU 45 -8.970 -9.945 1.714 348 2HD1 LEU 45 2HD1 LEU 45 -9.104 -9.372 3.380 349 3HD1 LEU 45 3HD1 LEU 45 -8.461 -8.294 2.125 350 1HD2 LEU 45 1HD2 LEU 45 -10.339 -6.525 2.722 351 2HD2 LEU 45 2HD2 LEU 45 -10.709 -7.680 4.015 352 3HD2 LEU 45 3HD2 LEU 45 -11.992 -7.155 2.936 353 H SER 46 H SER 46 -12.321 -5.715 1.689 354 HA SER 46 HA SER 46 -11.848 -3.625 -0.191 355 1HB SER 46 1HB SER 46 -14.718 -4.169 0.688 356 2HB SER 46 2HB SER 46 -14.149 -2.593 0.096 357 HG SER 46 HG SER 46 -13.547 -4.852 -1.449 358 H PHE 47 H PHE 47 -12.378 -1.453 1.009 359 HA PHE 47 HA PHE 47 -11.763 -1.772 3.876 360 1HB PHE 47 1HB PHE 47 -10.202 -0.434 1.658 361 2HB PHE 47 2HB PHE 47 -10.222 0.334 3.216 362 HD1 PHE 47 HD1 PHE 47 -9.986 -1.618 5.259 363 HD2 PHE 47 HD2 PHE 47 -8.164 -1.643 1.342 364 HE1 PHE 47 HE1 PHE 47 -8.112 -2.956 6.140 365 HE2 PHE 47 HE2 PHE 47 -6.276 -2.964 2.258 366 HZ PHE 47 HZ PHE 47 -6.238 -3.616 4.644 367 H VAL 48 H VAL 48 -11.720 0.737 4.727 368 HA VAL 48 HA VAL 48 -13.936 2.243 3.696 369 HB VAL 48 HB VAL 48 -15.132 0.650 5.035 370 1HG1 VAL 48 1HG1 VAL 48 -13.365 1.358 7.403 371 2HG1 VAL 48 2HG1 VAL 48 -14.807 0.316 7.429 372 3HG1 VAL 48 3HG1 VAL 48 -13.381 -0.192 6.522 373 1HG2 VAL 48 1HG2 VAL 48 -16.258 2.066 6.669 374 2HG2 VAL 48 2HG2 VAL 48 -14.939 3.245 6.598 375 3HG2 VAL 48 3HG2 VAL 48 -15.952 2.940 5.164 376 H CYS 49 H CYS 49 -13.623 4.448 4.181 377 HA CYS 49 HA CYS 49 -10.989 5.169 5.201 378 1HB CYS 49 1HB CYS 49 -11.860 7.517 4.835 379 2HB CYS 49 2HB CYS 49 -11.811 6.507 3.410 380 HA PRO 50 HA PRO 50 -12.065 5.599 9.415 381 1HB PRO 50 1HB PRO 50 -10.710 7.844 10.304 382 2HB PRO 50 2HB PRO 50 -9.963 6.255 9.960 383 1HG PRO 50 1HG PRO 50 -10.121 8.676 8.142 384 2HG PRO 50 2HG PRO 50 -8.698 7.640 8.488 385 1HD PRO 50 1HD PRO 50 -10.168 7.286 6.247 386 2HD PRO 50 2HD PRO 50 -9.553 5.872 7.153 387 H TRP 51 H TRP 51 -12.655 8.479 7.429 388 HA TRP 51 HA TRP 51 -14.536 9.798 9.119 389 1HB TRP 51 1HB TRP 51 -13.659 10.884 7.133 390 2HB TRP 51 2HB TRP 51 -14.305 9.615 6.093 391 HD1 TRP 51 HD1 TRP 51 -15.646 12.328 8.513 392 HE1 TRP 51 HE1 TRP 51 -17.981 13.067 7.745 393 HE3 TRP 51 HE3 TRP 51 -16.203 9.239 4.461 394 HZ2 TRP 51 HZ2 TRP 51 -19.863 12.387 5.671 395 HZ3 TRP 51 HZ3 TRP 51 -18.277 9.306 3.116 396 HH2 TRP 51 HH2 TRP 51 -20.116 10.865 3.715 397 H CYS 52 H CYS 52 -15.081 7.386 6.461 398 HA CYS 52 HA CYS 52 -17.846 7.004 7.038 399 1HB CYS 52 1HB CYS 52 -15.746 5.368 5.609 400 2HB CYS 52 2HB CYS 52 -17.348 4.739 5.929 401 H ALA 53 H ALA 53 -14.909 5.305 8.306 402 HA ALA 53 HA ALA 53 -16.340 3.352 9.792 403 1HB ALA 53 1HB ALA 53 -14.320 3.095 11.111 404 2HB ALA 53 2HB ALA 53 -13.867 3.340 9.412 405 3HB ALA 53 3HB ALA 53 -13.713 4.672 10.588 406 H THR 54 H THR 54 -15.609 6.744 10.564 407 HA THR 54 HA THR 54 -16.672 6.638 13.258 408 HB THR 54 HB THR 54 -16.152 9.055 11.471 409 HG1 THR 54 HG1 THR 54 -14.252 7.868 11.585 410 1HG2 THR 54 1HG2 THR 54 -16.183 8.752 14.503 411 2HG2 THR 54 2HG2 THR 54 -17.378 9.635 13.527 412 3HG2 THR 54 3HG2 THR 54 -15.708 10.214 13.614 413 H ASN 55 H ASN 55 -18.044 7.330 10.051 414 HA ASN 55 HA ASN 55 -20.565 8.375 11.231 415 1HB ASN 55 1HB ASN 55 -19.529 8.255 8.370 416 2HB ASN 55 2HB ASN 55 -21.163 8.765 8.795 417 1HD2 ASN 55 1HD2 ASN 55 -17.720 9.502 9.544 418 2HD2 ASN 55 2HD2 ASN 55 -18.059 11.147 10.050 419 H GLN 56 H GLN 56 -19.339 5.506 10.255 420 HA GLN 56 HA GLN 56 -19.954 3.477 9.765 421 1HB GLN 56 1HB GLN 56 -21.714 2.329 10.872 422 2HB GLN 56 2HB GLN 56 -20.729 3.318 11.964 423 1HG GLN 56 1HG GLN 56 -22.357 4.994 12.109 424 2HG GLN 56 2HG GLN 56 -23.285 4.327 10.741 425 1HE2 GLN 56 1HE2 GLN 56 -24.896 2.806 11.168 426 2HE2 GLN 56 2HE2 GLN 56 -25.200 2.164 12.785 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 12.161 3.306 13.109 2 1HA GLY 1 1HA GLY 1 11.802 4.441 11.030 3 2HA GLY 1 2HA GLY 1 12.165 5.589 12.341 4 H SER 2 H SER 2 12.656 6.719 10.021 5 HA SER 2 HA SER 2 14.114 7.679 8.655 6 1HB SER 2 1HB SER 2 15.061 8.370 10.840 7 2HB SER 2 2HB SER 2 16.192 7.001 10.760 8 HG SER 2 HG SER 2 16.775 7.885 8.652 9 H HIS 3 H HIS 3 13.892 4.570 8.470 10 HA HIS 3 HA HIS 3 16.348 3.969 6.932 11 1HB HIS 3 1HB HIS 3 15.573 2.204 8.421 12 2HB HIS 3 2HB HIS 3 13.928 2.324 7.788 13 HD1 HIS 3 HD1 HIS 3 17.440 1.405 6.315 14 HD2 HIS 3 HD2 HIS 3 13.306 0.669 5.896 15 HE1 HIS 3 HE1 HIS 3 17.181 -0.315 4.456 16 H MET 4 H MET 4 16.133 3.345 4.670 17 HA MET 4 HA MET 4 13.611 3.556 3.340 18 1HB MET 4 1HB MET 4 14.620 5.926 3.305 19 2HB MET 4 2HB MET 4 15.945 5.256 2.342 20 1HG MET 4 1HG MET 4 14.271 4.535 0.629 21 2HG MET 4 2HG MET 4 12.984 5.219 1.636 22 1HE MET 4 1HE MET 4 12.934 7.728 -1.301 23 2HE MET 4 2HE MET 4 13.187 5.969 -1.391 24 3HE MET 4 3HE MET 4 11.994 6.642 -0.251 25 H ALA 5 H ALA 5 13.768 2.348 1.452 26 HA ALA 5 HA ALA 5 14.992 1.012 -0.236 27 1HB ALA 5 1HB ALA 5 17.158 0.876 0.962 28 2HB ALA 5 2HB ALA 5 16.380 -0.155 2.200 29 3HB ALA 5 3HB ALA 5 16.546 -0.734 0.534 30 H GLU 6 H GLU 6 12.516 1.129 1.206 31 HA GLU 6 HA GLU 6 12.182 -1.290 2.677 32 1HB GLU 6 1HB GLU 6 9.866 0.526 2.084 33 2HB GLU 6 2HB GLU 6 10.286 -0.329 3.558 34 1HG GLU 6 1HG GLU 6 10.852 1.809 4.213 35 2HG GLU 6 2HG GLU 6 12.381 1.365 3.541 36 HA PRO 7 HA PRO 7 11.015 -3.969 -0.375 37 1HB PRO 7 1HB PRO 7 9.468 -5.886 0.846 38 2HB PRO 7 2HB PRO 7 11.206 -5.627 1.184 39 1HG PRO 7 1HG PRO 7 8.829 -4.568 2.744 40 2HG PRO 7 2HG PRO 7 10.302 -5.376 3.374 41 1HD PRO 7 1HD PRO 7 10.051 -2.668 3.350 42 2HD PRO 7 2HD PRO 7 11.624 -3.453 3.014 43 H GLN 8 H GLN 8 9.894 -3.091 -2.011 44 HA GLN 8 HA GLN 8 8.280 -2.121 -3.215 45 1HB GLN 8 1HB GLN 8 7.055 -4.725 -2.343 46 2HB GLN 8 2HB GLN 8 6.439 -3.729 -3.672 47 1HG GLN 8 1HG GLN 8 8.915 -5.404 -3.521 48 2HG GLN 8 2HG GLN 8 7.701 -5.179 -4.779 49 1HE2 GLN 8 1HE2 GLN 8 7.703 -2.718 -5.752 50 2HE2 GLN 8 2HE2 GLN 8 9.348 -2.277 -6.208 51 H ARG 9 H ARG 9 8.362 -0.837 -1.466 52 HA ARG 9 HA ARG 9 5.952 0.057 0.007 53 1HB ARG 9 1HB ARG 9 8.177 0.630 0.766 54 2HB ARG 9 2HB ARG 9 8.469 1.500 -0.728 55 1HG ARG 9 1HG ARG 9 6.051 2.425 0.557 56 2HG ARG 9 2HG ARG 9 7.414 2.535 1.674 57 1HD ARG 9 1HD ARG 9 7.177 3.793 -1.086 58 2HD ARG 9 2HD ARG 9 7.153 4.634 0.463 59 HE ARG 9 HE ARG 9 9.466 3.883 0.869 60 1HH1 ARG 9 1HH1 ARG 9 8.382 3.560 -2.495 61 2HH1 ARG 9 2HH1 ARG 9 9.981 3.558 -3.167 62 1HH2 ARG 9 1HH2 ARG 9 11.519 3.536 0.049 63 2HH2 ARG 9 2HH2 ARG 9 11.842 3.562 -1.661 64 H HIS 10 H HIS 10 4.381 -0.084 -1.373 65 HA HIS 10 HA HIS 10 4.394 1.483 -3.938 66 1HB HIS 10 1HB HIS 10 2.750 -0.907 -3.030 67 2HB HIS 10 2HB HIS 10 2.455 -0.007 -4.514 68 HD1 HIS 10 HD1 HIS 10 2.916 -2.838 -5.133 69 HD2 HIS 10 HD2 HIS 10 6.095 -0.131 -4.578 70 HE1 HIS 10 HE1 HIS 10 4.918 -3.780 -6.406 71 H LYS 11 H LYS 11 2.060 2.170 -4.553 72 HA LYS 11 HA LYS 11 0.513 3.202 -2.243 73 1HB LYS 11 1HB LYS 11 1.340 4.765 -4.706 74 2HB LYS 11 2HB LYS 11 0.073 5.247 -3.600 75 1HG LYS 11 1HG LYS 11 1.536 6.254 -2.245 76 2HG LYS 11 2HG LYS 11 2.294 4.718 -1.916 77 1HD LYS 11 1HD LYS 11 3.995 6.241 -2.654 78 2HD LYS 11 2HD LYS 11 3.778 5.002 -3.887 79 1HE LYS 11 1HE LYS 11 4.057 7.190 -4.929 80 2HE LYS 11 2HE LYS 11 2.433 6.569 -5.257 81 1HZ LYS 11 1HZ LYS 11 1.523 8.022 -3.647 82 2HZ LYS 11 2HZ LYS 11 2.474 8.923 -4.609 83 3HZ LYS 11 3HZ LYS 11 3.004 8.502 -3.098 84 H ILE 12 H ILE 12 -1.052 1.655 -2.430 85 HA ILE 12 HA ILE 12 -2.102 0.971 -5.116 86 HB ILE 12 HB ILE 12 -2.682 -0.386 -2.459 87 1HG1 ILE 12 1HG1 ILE 12 -0.638 -1.219 -4.564 88 2HG1 ILE 12 2HG1 ILE 12 -0.240 -0.497 -3.000 89 1HG2 ILE 12 1HG2 ILE 12 -3.106 -1.257 -5.354 90 2HG2 ILE 12 2HG2 ILE 12 -3.530 -2.198 -3.903 91 3HG2 ILE 12 3HG2 ILE 12 -4.377 -0.699 -4.249 92 1HD1 ILE 12 1HD1 ILE 12 -1.514 -3.192 -3.455 93 2HD1 ILE 12 2HD1 ILE 12 0.054 -2.809 -2.716 94 3HD1 ILE 12 3HD1 ILE 12 -1.442 -2.398 -1.861 95 H LEU 13 H LEU 13 -3.541 2.519 -5.677 96 HA LEU 13 HA LEU 13 -5.294 3.877 -3.877 97 1HB LEU 13 1HB LEU 13 -4.441 4.779 -6.011 98 2HB LEU 13 2HB LEU 13 -5.443 3.638 -6.908 99 HG LEU 13 HG LEU 13 -6.797 5.371 -4.822 100 1HD1 LEU 13 1HD1 LEU 13 -5.771 6.367 -7.492 101 2HD1 LEU 13 2HD1 LEU 13 -5.324 6.938 -5.864 102 3HD1 LEU 13 3HD1 LEU 13 -6.971 7.211 -6.490 103 1HD2 LEU 13 1HD2 LEU 13 -8.182 3.777 -6.133 104 2HD2 LEU 13 2HD2 LEU 13 -7.622 4.521 -7.643 105 3HD2 LEU 13 3HD2 LEU 13 -8.620 5.443 -6.493 106 H CYS 14 H CYS 14 -6.812 2.824 -2.806 107 HA CYS 14 HA CYS 14 -8.708 1.211 -4.443 108 1HB CYS 14 1HB CYS 14 -9.404 -0.002 -2.586 109 2HB CYS 14 2HB CYS 14 -7.628 0.047 -2.454 110 HG CYS 14 HG CYS 14 -10.019 1.547 -0.755 111 H VAL 15 H VAL 15 -10.989 1.473 -2.894 112 HA VAL 15 HA VAL 15 -11.258 4.313 -2.275 113 HB VAL 15 HB VAL 15 -13.585 4.328 -3.081 114 1HG1 VAL 15 1HG1 VAL 15 -13.120 4.637 -5.444 115 2HG1 VAL 15 2HG1 VAL 15 -11.797 5.285 -4.469 116 3HG1 VAL 15 3HG1 VAL 15 -11.598 3.729 -5.306 117 1HG2 VAL 15 1HG2 VAL 15 -14.430 2.664 -4.652 118 2HG2 VAL 15 2HG2 VAL 15 -12.951 1.697 -4.487 119 3HG2 VAL 15 3HG2 VAL 15 -14.059 1.894 -3.107 120 H CYS 16 H CYS 16 -13.014 4.689 -0.789 121 HA CYS 16 HA CYS 16 -13.494 2.711 1.306 122 1HB CYS 16 1HB CYS 16 -13.565 5.204 1.693 123 2HB CYS 16 2HB CYS 16 -14.941 5.298 0.579 124 H CYS 17 H CYS 17 -14.888 1.091 1.045 125 HA CYS 17 HA CYS 17 -16.243 0.518 -1.315 126 1HB CYS 17 1HB CYS 17 -15.448 -1.012 0.621 127 2HB CYS 17 2HB CYS 17 -17.011 -0.666 1.379 128 HG CYS 17 HG CYS 17 -18.346 -1.252 -0.896 129 H LYS 18 H LYS 18 -17.457 2.755 1.002 130 HA LYS 18 HA LYS 18 -20.239 2.341 0.078 131 1HB LYS 18 1HB LYS 18 -20.882 2.676 2.368 132 2HB LYS 18 2HB LYS 18 -19.850 1.255 2.204 133 1HG LYS 18 1HG LYS 18 -17.949 2.508 3.187 134 2HG LYS 18 2HG LYS 18 -18.913 3.994 3.185 135 1HD LYS 18 1HD LYS 18 -19.111 3.217 5.400 136 2HD LYS 18 2HD LYS 18 -20.608 2.768 4.599 137 1HE LYS 18 1HE LYS 18 -19.532 0.441 4.208 138 2HE LYS 18 2HE LYS 18 -18.196 0.998 5.229 139 1HZ LYS 18 1HZ LYS 18 -20.943 0.375 6.006 140 2HZ LYS 18 2HZ LYS 18 -20.096 1.489 6.874 141 3HZ LYS 18 3HZ LYS 18 -19.516 -0.018 6.763 142 H CYS 19 H CYS 19 -17.746 4.799 0.386 143 HA CYS 19 HA CYS 19 -19.795 6.759 -0.276 144 1HB CYS 19 1HB CYS 19 -18.548 8.379 0.832 145 2HB CYS 19 2HB CYS 19 -18.897 7.150 2.034 146 H ASP 20 H ASP 20 -17.539 4.751 -1.472 147 HA ASP 20 HA ASP 20 -15.884 4.638 -2.866 148 1HB ASP 20 1HB ASP 20 -17.953 6.405 -4.158 149 2HB ASP 20 2HB ASP 20 -16.618 5.557 -4.941 150 H GLY 21 H GLY 21 -15.245 6.533 -0.877 151 1HA GLY 21 1HA GLY 21 -13.947 8.816 -2.172 152 2HA GLY 21 2HA GLY 21 -13.798 8.392 -0.464 153 H ARG 22 H ARG 22 -11.831 9.055 -2.465 154 HA ARG 22 HA ARG 22 -10.397 6.769 -3.474 155 1HB ARG 22 1HB ARG 22 -10.523 8.963 -4.541 156 2HB ARG 22 2HB ARG 22 -9.720 9.735 -3.180 157 1HG ARG 22 1HG ARG 22 -8.218 7.532 -4.555 158 2HG ARG 22 2HG ARG 22 -8.525 9.004 -5.490 159 1HD ARG 22 1HD ARG 22 -7.562 10.334 -3.523 160 2HD ARG 22 2HD ARG 22 -7.000 8.779 -2.879 161 HE ARG 22 HE ARG 22 -6.281 9.171 -5.651 162 1HH1 ARG 22 1HH1 ARG 22 -5.185 10.156 -2.360 163 2HH1 ARG 22 2HH1 ARG 22 -3.497 9.878 -2.849 164 1HH2 ARG 22 1HH2 ARG 22 -3.945 9.153 -6.139 165 2HH2 ARG 22 2HH2 ARG 22 -2.894 9.405 -4.737 166 H ILE 23 H ILE 23 -8.964 5.339 -2.242 167 HA ILE 23 HA ILE 23 -7.547 6.723 -0.019 168 HB ILE 23 HB ILE 23 -8.495 3.858 -0.092 169 1HG1 ILE 23 1HG1 ILE 23 -9.599 6.079 1.675 170 2HG1 ILE 23 2HG1 ILE 23 -10.402 5.452 0.237 171 1HG2 ILE 23 1HG2 ILE 23 -7.635 3.758 2.203 172 2HG2 ILE 23 2HG2 ILE 23 -6.358 4.306 1.130 173 3HG2 ILE 23 3HG2 ILE 23 -7.205 5.488 2.138 174 1HD1 ILE 23 1HD1 ILE 23 -9.835 3.884 2.768 175 2HD1 ILE 23 2HD1 ILE 23 -11.398 4.363 2.093 176 3HD1 ILE 23 3HD1 ILE 23 -10.418 3.160 1.248 177 H GLU 24 H GLU 24 -5.518 7.011 -0.765 178 HA GLU 24 HA GLU 24 -4.215 5.108 -2.584 179 1HB GLU 24 1HB GLU 24 -3.985 7.453 -2.910 180 2HB GLU 24 2HB GLU 24 -3.337 7.710 -1.280 181 1HG GLU 24 1HG GLU 24 -1.353 6.325 -1.917 182 2HG GLU 24 2HG GLU 24 -2.058 6.098 -3.526 183 H LEU 25 H LEU 25 -4.057 3.154 -1.415 184 HA LEU 25 HA LEU 25 -3.194 3.062 1.302 185 1HB LEU 25 1HB LEU 25 -3.084 0.793 -0.699 186 2HB LEU 25 2HB LEU 25 -3.072 0.663 1.039 187 HG LEU 25 HG LEU 25 -5.428 1.728 -0.590 188 1HD1 LEU 25 1HD1 LEU 25 -5.009 -0.622 -1.129 189 2HD1 LEU 25 2HD1 LEU 25 -6.451 -0.481 -0.117 190 3HD1 LEU 25 3HD1 LEU 25 -4.926 -1.043 0.598 191 1HD2 LEU 25 1HD2 LEU 25 -5.295 2.463 1.840 192 2HD2 LEU 25 2HD2 LEU 25 -5.243 0.761 2.316 193 3HD2 LEU 25 3HD2 LEU 25 -6.682 1.421 1.499 194 H THR 26 H THR 26 -1.237 4.215 1.437 195 HA THR 26 HA THR 26 1.106 3.426 -0.133 196 HB THR 26 HB THR 26 0.892 5.155 2.358 197 HG1 THR 26 HG1 THR 26 -0.252 5.853 0.439 198 1HG2 THR 26 1HG2 THR 26 3.087 6.052 1.555 199 2HG2 THR 26 2HG2 THR 26 3.128 4.793 0.299 200 3HG2 THR 26 3HG2 THR 26 3.195 4.344 2.015 201 H VAL 27 H VAL 27 1.730 1.306 0.163 202 HA VAL 27 HA VAL 27 2.169 0.295 2.894 203 HB VAL 27 HB VAL 27 0.977 -1.804 2.429 204 1HG1 VAL 27 1HG1 VAL 27 -0.918 0.561 2.193 205 2HG1 VAL 27 2HG1 VAL 27 -1.289 -1.056 2.827 206 3HG1 VAL 27 3HG1 VAL 27 -0.156 -0.003 3.694 207 1HG2 VAL 27 1HG2 VAL 27 0.947 -1.843 -0.027 208 2HG2 VAL 27 2HG2 VAL 27 -0.683 -2.009 0.623 209 3HG2 VAL 27 3HG2 VAL 27 -0.161 -0.456 -0.060 210 H GLU 28 H GLU 28 3.592 -1.497 2.936 211 HA GLU 28 HA GLU 28 5.292 -1.720 0.545 212 1HB GLU 28 1HB GLU 28 6.192 -2.347 3.291 213 2HB GLU 28 2HB GLU 28 7.133 -1.860 1.904 214 1HG GLU 28 1HG GLU 28 7.284 0.056 3.066 215 2HG GLU 28 2HG GLU 28 5.775 0.445 2.257 216 H SER 29 H SER 29 4.897 -3.566 -0.546 217 HA SER 29 HA SER 29 4.179 -6.022 0.912 218 1HB SER 29 1HB SER 29 2.502 -4.379 -0.986 219 2HB SER 29 2HB SER 29 2.142 -6.016 -0.395 220 HG SER 29 HG SER 29 2.709 -4.483 1.690 221 H SER 30 H SER 30 5.064 -7.512 -0.061 222 HA SER 30 HA SER 30 6.950 -7.038 -2.306 223 1HB SER 30 1HB SER 30 6.461 -9.462 -0.519 224 2HB SER 30 2HB SER 30 7.722 -9.368 -1.760 225 HG SER 30 HG SER 30 7.449 -7.462 0.326 226 H ALA 31 H ALA 31 7.025 -8.470 -4.225 227 HA ALA 31 HA ALA 31 4.702 -8.245 -5.599 228 1HB ALA 31 1HB ALA 31 5.721 -9.640 -7.348 229 2HB ALA 31 2HB ALA 31 6.904 -8.521 -6.643 230 3HB ALA 31 3HB ALA 31 6.921 -10.245 -6.187 231 H GLU 32 H GLU 32 5.676 -11.250 -3.912 232 HA GLU 32 HA GLU 32 3.583 -12.911 -4.937 233 1HB GLU 32 1HB GLU 32 5.318 -13.063 -2.437 234 2HB GLU 32 2HB GLU 32 4.230 -14.356 -2.971 235 1HG GLU 32 1HG GLU 32 5.467 -14.624 -5.058 236 2HG GLU 32 2HG GLU 32 6.495 -13.236 -4.687 237 H ASP 33 H ASP 33 3.985 -11.277 -1.784 238 HA ASP 33 HA ASP 33 1.426 -11.758 -0.648 239 1HB ASP 33 1HB ASP 33 3.159 -11.114 0.790 240 2HB ASP 33 2HB ASP 33 3.726 -9.837 -0.279 241 H LEU 34 H LEU 34 2.639 -9.221 -2.785 242 HA LEU 34 HA LEU 34 0.337 -7.532 -2.771 243 1HB LEU 34 1HB LEU 34 2.570 -6.803 -3.544 244 2HB LEU 34 2HB LEU 34 2.488 -7.954 -4.876 245 HG LEU 34 HG LEU 34 0.486 -6.712 -5.788 246 1HD1 LEU 34 1HD1 LEU 34 1.216 -4.725 -3.589 247 2HD1 LEU 34 2HD1 LEU 34 -0.318 -5.605 -3.754 248 3HD1 LEU 34 3HD1 LEU 34 0.121 -4.389 -4.954 249 1HD2 LEU 34 1HD2 LEU 34 2.719 -6.330 -6.681 250 2HD2 LEU 34 2HD2 LEU 34 3.076 -5.165 -5.391 251 3HD2 LEU 34 3HD2 LEU 34 1.835 -4.798 -6.624 252 H ARG 35 H ARG 35 1.366 -10.305 -4.802 253 HA ARG 35 HA ARG 35 -0.916 -10.290 -6.544 254 1HB ARG 35 1HB ARG 35 1.457 -11.901 -6.123 255 2HB ARG 35 2HB ARG 35 0.126 -12.975 -5.881 256 1HG ARG 35 1HG ARG 35 0.700 -13.138 -8.171 257 2HG ARG 35 2HG ARG 35 -0.775 -12.150 -8.167 258 1HD ARG 35 1HD ARG 35 0.600 -10.095 -8.332 259 2HD ARG 35 2HD ARG 35 2.080 -11.069 -8.221 260 HE ARG 35 HE ARG 35 0.441 -11.968 -10.383 261 1HH1 ARG 35 1HH1 ARG 35 2.664 -9.382 -9.504 262 2HH1 ARG 35 2HH1 ARG 35 3.172 -9.025 -11.121 263 1HH2 ARG 35 1HH2 ARG 35 1.090 -11.532 -12.564 264 2HH2 ARG 35 2HH2 ARG 35 2.242 -10.295 -12.901 265 H THR 36 H THR 36 -0.290 -11.930 -3.354 266 HA THR 36 HA THR 36 -2.823 -13.201 -3.229 267 HB THR 36 HB THR 36 -1.273 -12.113 -0.843 268 HG1 THR 36 HG1 THR 36 -0.826 -14.396 -2.452 269 1HG2 THR 36 1HG2 THR 36 -3.063 -14.563 -1.193 270 2HG2 THR 36 2HG2 THR 36 -3.483 -13.081 -0.307 271 3HG2 THR 36 3HG2 THR 36 -2.176 -14.120 0.283 272 H LEU 37 H LEU 37 -1.838 -9.973 -1.855 273 HA LEU 37 HA LEU 37 -4.516 -9.500 -0.952 274 1HB LEU 37 1HB LEU 37 -3.809 -7.487 -0.092 275 2HB LEU 37 2HB LEU 37 -2.413 -8.534 -0.011 276 HG LEU 37 HG LEU 37 -1.810 -7.333 -2.339 277 1HD1 LEU 37 1HD1 LEU 37 -3.847 -5.928 -2.474 278 2HD1 LEU 37 2HD1 LEU 37 -2.412 -4.934 -2.262 279 3HD1 LEU 37 3HD1 LEU 37 -3.479 -5.236 -0.880 280 1HD2 LEU 37 1HD2 LEU 37 -1.402 -6.051 0.395 281 2HD2 LEU 37 2HD2 LEU 37 -0.444 -5.712 -1.061 282 3HD2 LEU 37 3HD2 LEU 37 -0.393 -7.319 -0.324 283 H GLN 38 H GLN 38 -2.968 -8.811 -4.082 284 HA GLN 38 HA GLN 38 -4.927 -7.167 -5.276 285 1HB GLN 38 1HB GLN 38 -2.748 -7.638 -6.285 286 2HB GLN 38 2HB GLN 38 -3.020 -9.355 -6.211 287 1HG GLN 38 1HG GLN 38 -3.186 -8.789 -8.461 288 2HG GLN 38 2HG GLN 38 -4.813 -9.187 -7.942 289 1HE2 GLN 38 1HE2 GLN 38 -2.617 -6.320 -7.831 290 2HE2 GLN 38 2HE2 GLN 38 -3.799 -5.191 -8.489 291 H GLN 39 H GLN 39 -4.549 -10.731 -4.987 292 HA GLN 39 HA GLN 39 -6.888 -11.318 -6.457 293 1HB GLN 39 1HB GLN 39 -5.050 -12.907 -4.758 294 2HB GLN 39 2HB GLN 39 -6.499 -13.633 -5.517 295 1HG GLN 39 1HG GLN 39 -5.897 -12.831 -7.701 296 2HG GLN 39 2HG GLN 39 -4.631 -11.786 -7.078 297 1HE2 GLN 39 1HE2 GLN 39 -3.283 -12.596 -8.628 298 2HE2 GLN 39 2HE2 GLN 39 -2.555 -14.160 -8.302 299 H LEU 40 H LEU 40 -6.253 -10.944 -2.956 300 HA LEU 40 HA LEU 40 -8.880 -11.629 -2.025 301 1HB LEU 40 1HB LEU 40 -6.831 -9.693 -0.872 302 2HB LEU 40 2HB LEU 40 -8.325 -10.147 -0.070 303 HG LEU 40 HG LEU 40 -6.087 -12.086 -0.778 304 1HD1 LEU 40 1HD1 LEU 40 -6.962 -10.946 1.910 305 2HD1 LEU 40 2HD1 LEU 40 -5.493 -10.489 1.019 306 3HD1 LEU 40 3HD1 LEU 40 -5.670 -12.136 1.636 307 1HD2 LEU 40 1HD2 LEU 40 -8.195 -13.296 -0.782 308 2HD2 LEU 40 2HD2 LEU 40 -8.696 -12.519 0.740 309 3HD2 LEU 40 3HD2 LEU 40 -7.335 -13.663 0.711 310 H PHE 41 H PHE 41 -7.510 -8.383 -2.977 311 HA PHE 41 HA PHE 41 -10.020 -7.031 -2.653 312 1HB PHE 41 1HB PHE 41 -7.416 -6.405 -4.015 313 2HB PHE 41 2HB PHE 41 -8.827 -5.486 -4.473 314 HD1 PHE 41 HD1 PHE 41 -10.194 -4.224 -2.671 315 HD2 PHE 41 HD2 PHE 41 -6.207 -5.748 -1.980 316 HE1 PHE 41 HE1 PHE 41 -9.836 -2.541 -0.911 317 HE2 PHE 41 HE2 PHE 41 -5.876 -4.066 -0.222 318 HZ PHE 41 HZ PHE 41 -7.662 -2.432 0.292 319 H LEU 42 H LEU 42 -8.629 -8.814 -5.412 320 HA LEU 42 HA LEU 42 -10.677 -8.101 -7.287 321 1HB LEU 42 1HB LEU 42 -8.447 -8.949 -7.823 322 2HB LEU 42 2HB LEU 42 -8.819 -10.514 -7.114 323 HG LEU 42 HG LEU 42 -10.560 -9.495 -9.365 324 1HD1 LEU 42 1HD1 LEU 42 -8.261 -9.077 -10.140 325 2HD1 LEU 42 2HD1 LEU 42 -8.971 -10.439 -11.015 326 3HD1 LEU 42 3HD1 LEU 42 -7.793 -10.738 -9.715 327 1HD2 LEU 42 1HD2 LEU 42 -11.146 -11.678 -8.307 328 2HD2 LEU 42 2HD2 LEU 42 -9.504 -12.275 -8.614 329 3HD2 LEU 42 3HD2 LEU 42 -10.601 -11.914 -9.964 330 H SER 43 H SER 43 -10.371 -10.735 -4.918 331 HA SER 43 HA SER 43 -12.714 -12.180 -5.655 332 1HB SER 43 1HB SER 43 -10.921 -13.241 -4.423 333 2HB SER 43 2HB SER 43 -10.997 -12.042 -3.140 334 HG SER 43 HG SER 43 -12.879 -14.063 -3.724 335 H THR 44 H THR 44 -12.137 -10.234 -2.703 336 HA THR 44 HA THR 44 -14.960 -9.650 -2.434 337 HB THR 44 HB THR 44 -14.666 -10.864 -0.062 338 HG1 THR 44 HG1 THR 44 -12.960 -12.473 -1.684 339 1HG2 THR 44 1HG2 THR 44 -15.612 -12.899 -0.904 340 2HG2 THR 44 2HG2 THR 44 -15.085 -12.526 -2.560 341 3HG2 THR 44 3HG2 THR 44 -16.312 -11.508 -1.769 342 H LEU 45 H LEU 45 -11.711 -9.299 -1.217 343 HA LEU 45 HA LEU 45 -12.322 -7.790 1.132 344 1HB LEU 45 1HB LEU 45 -10.166 -8.907 0.754 345 2HB LEU 45 2HB LEU 45 -9.830 -7.828 -0.599 346 HG LEU 45 HG LEU 45 -9.716 -5.886 0.921 347 1HD1 LEU 45 1HD1 LEU 45 -10.107 -7.982 3.112 348 2HD1 LEU 45 2HD1 LEU 45 -11.164 -6.594 2.766 349 3HD1 LEU 45 3HD1 LEU 45 -9.540 -6.323 3.389 350 1HD2 LEU 45 1HD2 LEU 45 -7.551 -6.519 1.919 351 2HD2 LEU 45 2HD2 LEU 45 -7.704 -7.180 0.289 352 3HD2 LEU 45 3HD2 LEU 45 -7.931 -8.238 1.700 353 H SER 46 H SER 46 -12.896 -5.699 1.411 354 HA SER 46 HA SER 46 -12.155 -3.689 -0.579 355 1HB SER 46 1HB SER 46 -14.947 -3.952 0.626 356 2HB SER 46 2HB SER 46 -14.333 -2.569 -0.305 357 HG SER 46 HG SER 46 -15.562 -4.073 -1.551 358 H PHE 47 H PHE 47 -12.436 -1.450 0.577 359 HA PHE 47 HA PHE 47 -11.582 -1.692 3.395 360 1HB PHE 47 1HB PHE 47 -10.236 -0.548 0.966 361 2HB PHE 47 2HB PHE 47 -10.205 0.438 2.403 362 HD1 PHE 47 HD1 PHE 47 -9.815 -3.369 2.051 363 HD2 PHE 47 HD2 PHE 47 -8.022 0.412 3.128 364 HE1 PHE 47 HE1 PHE 47 -7.873 -4.538 2.981 365 HE2 PHE 47 HE2 PHE 47 -6.060 -0.790 4.039 366 HZ PHE 47 HZ PHE 47 -5.981 -3.273 3.969 367 H VAL 48 H VAL 48 -11.709 0.590 4.381 368 HA VAL 48 HA VAL 48 -13.992 2.107 3.478 369 HB VAL 48 HB VAL 48 -13.798 0.850 6.254 370 1HG1 VAL 48 1HG1 VAL 48 -14.888 3.067 6.273 371 2HG1 VAL 48 2HG1 VAL 48 -16.028 2.525 5.020 372 3HG1 VAL 48 3HG1 VAL 48 -16.039 1.785 6.639 373 1HG2 VAL 48 1HG2 VAL 48 -15.722 0.210 3.969 374 2HG2 VAL 48 2HG2 VAL 48 -14.512 -0.883 4.677 375 3HG2 VAL 48 3HG2 VAL 48 -15.891 -0.376 5.643 376 H CYS 49 H CYS 49 -13.653 4.305 3.939 377 HA CYS 49 HA CYS 49 -11.015 5.068 4.886 378 1HB CYS 49 1HB CYS 49 -11.839 7.365 4.552 379 2HB CYS 49 2HB CYS 49 -12.123 6.361 3.146 380 HA PRO 50 HA PRO 50 -11.791 5.107 9.127 381 1HB PRO 50 1HB PRO 50 -10.549 7.375 10.149 382 2HB PRO 50 2HB PRO 50 -9.722 5.877 9.625 383 1HG PRO 50 1HG PRO 50 -10.153 8.427 8.048 384 2HG PRO 50 2HG PRO 50 -8.653 7.455 8.203 385 1HD PRO 50 1HD PRO 50 -10.246 7.212 6.036 386 2HD PRO 50 2HD PRO 50 -9.503 5.759 6.768 387 H TRP 51 H TRP 51 -12.776 8.152 7.555 388 HA TRP 51 HA TRP 51 -14.568 9.049 9.588 389 1HB TRP 51 1HB TRP 51 -13.969 10.506 7.742 390 2HB TRP 51 2HB TRP 51 -14.661 9.382 6.569 391 HD1 TRP 51 HD1 TRP 51 -15.837 11.541 9.564 392 HE1 TRP 51 HE1 TRP 51 -18.303 12.155 9.264 393 HE3 TRP 51 HE3 TRP 51 -16.757 9.107 5.146 394 HZ2 TRP 51 HZ2 TRP 51 -20.418 11.645 7.369 395 HZ3 TRP 51 HZ3 TRP 51 -19.015 9.177 4.133 396 HH2 TRP 51 HH2 TRP 51 -20.852 10.430 5.237 397 H CYS 52 H CYS 52 -15.261 7.111 6.599 398 HA CYS 52 HA CYS 52 -17.915 6.445 7.296 399 1HB CYS 52 1HB CYS 52 -15.855 5.122 5.509 400 2HB CYS 52 2HB CYS 52 -17.412 4.383 5.821 401 H ALA 53 H ALA 53 -14.841 4.735 8.073 402 HA ALA 53 HA ALA 53 -16.037 2.502 9.360 403 1HB ALA 53 1HB ALA 53 -13.630 2.686 8.709 404 2HB ALA 53 2HB ALA 53 -13.390 3.835 10.050 405 3HB ALA 53 3HB ALA 53 -13.859 2.161 10.391 406 H THR 54 H THR 54 -15.316 5.760 10.625 407 HA THR 54 HA THR 54 -16.061 5.093 13.359 408 HB THR 54 HB THR 54 -15.663 7.815 12.042 409 HG1 THR 54 HG1 THR 54 -13.802 6.692 11.719 410 1HG2 THR 54 1HG2 THR 54 -15.414 6.931 14.950 411 2HG2 THR 54 2HG2 THR 54 -16.644 8.031 14.286 412 3HG2 THR 54 3HG2 THR 54 -14.946 8.524 14.317 413 H ASN 55 H ASN 55 -17.788 6.226 10.498 414 HA ASN 55 HA ASN 55 -20.088 7.165 12.161 415 1HB ASN 55 1HB ASN 55 -19.319 7.678 9.261 416 2HB ASN 55 2HB ASN 55 -20.873 8.144 9.956 417 1HD2 ASN 55 1HD2 ASN 55 -17.356 8.481 10.529 418 2HD2 ASN 55 2HD2 ASN 55 -17.514 9.941 11.500 419 H GLN 56 H GLN 56 -19.179 4.521 10.320 420 HA GLN 56 HA GLN 56 -21.912 3.599 9.812 421 1HB GLN 56 1HB GLN 56 -21.248 1.706 8.813 422 2HB GLN 56 2HB GLN 56 -20.269 3.048 8.203 423 1HG GLN 56 1HG GLN 56 -18.440 2.131 8.894 424 2HG GLN 56 2HG GLN 56 -19.035 1.972 10.563 425 1HE2 GLN 56 1HE2 GLN 56 -20.677 0.131 10.832 426 2HE2 GLN 56 2HE2 GLN 56 -20.224 -1.449 10.139 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 14.122 15.999 -11.689 2 1HA GLY 1 1HA GLY 1 14.035 15.427 -9.334 3 2HA GLY 1 2HA GLY 1 12.608 16.340 -9.885 4 H SER 2 H SER 2 12.084 15.000 -7.643 5 HA SER 2 HA SER 2 10.907 13.384 -6.617 6 1HB SER 2 1HB SER 2 9.162 14.365 -8.039 7 2HB SER 2 2HB SER 2 9.528 13.187 -9.319 8 HG SER 2 HG SER 2 9.081 11.553 -7.777 9 H HIS 3 H HIS 3 13.424 12.463 -7.535 10 HA HIS 3 HA HIS 3 13.235 9.911 -8.846 11 1HB HIS 3 1HB HIS 3 15.509 11.019 -7.160 12 2HB HIS 3 2HB HIS 3 15.601 9.740 -8.365 13 HD1 HIS 3 HD1 HIS 3 17.310 12.492 -8.406 14 HD2 HIS 3 HD2 HIS 3 13.861 11.562 -10.636 15 HE1 HIS 3 HE1 HIS 3 17.321 14.037 -10.442 16 H MET 4 H MET 4 11.463 9.060 -7.448 17 HA MET 4 HA MET 4 12.612 7.535 -5.169 18 1HB MET 4 1HB MET 4 11.386 9.424 -4.201 19 2HB MET 4 2HB MET 4 9.964 9.044 -5.178 20 1HG MET 4 1HG MET 4 9.713 8.200 -2.872 21 2HG MET 4 2HG MET 4 9.679 6.898 -4.047 22 1HE MET 4 1HE MET 4 13.219 7.707 -1.155 23 2HE MET 4 2HE MET 4 12.954 8.751 -2.568 24 3HE MET 4 3HE MET 4 11.751 8.706 -1.251 25 H ALA 5 H ALA 5 12.522 5.465 -5.760 26 HA ALA 5 HA ALA 5 9.929 4.321 -6.004 27 1HB ALA 5 1HB ALA 5 10.482 4.442 -8.425 28 2HB ALA 5 2HB ALA 5 12.058 3.677 -8.111 29 3HB ALA 5 3HB ALA 5 10.557 2.764 -7.846 30 H GLU 6 H GLU 6 10.031 2.396 -4.746 31 HA GLU 6 HA GLU 6 12.722 1.397 -3.985 32 1HB GLU 6 1HB GLU 6 10.312 1.836 -2.190 33 2HB GLU 6 2HB GLU 6 11.772 0.984 -1.699 34 1HG GLU 6 1HG GLU 6 13.101 3.037 -2.035 35 2HG GLU 6 2HG GLU 6 11.630 3.901 -2.482 36 HA PRO 7 HA PRO 7 10.424 -2.572 -4.436 37 1HB PRO 7 1HB PRO 7 11.999 -4.235 -3.018 38 2HB PRO 7 2HB PRO 7 12.549 -3.575 -4.583 39 1HG PRO 7 1HG PRO 7 13.249 -2.593 -1.802 40 2HG PRO 7 2HG PRO 7 14.353 -2.890 -3.184 41 1HD PRO 7 1HD PRO 7 13.299 -0.413 -2.515 42 2HD PRO 7 2HD PRO 7 13.773 -0.833 -4.180 43 H GLN 8 H GLN 8 9.308 -4.016 -2.688 44 HA GLN 8 HA GLN 8 7.739 -4.144 -1.329 45 1HB GLN 8 1HB GLN 8 9.898 -3.012 0.416 46 2HB GLN 8 2HB GLN 8 8.314 -3.510 1.042 47 1HG GLN 8 1HG GLN 8 9.883 -5.318 1.355 48 2HG GLN 8 2HG GLN 8 8.667 -5.795 0.171 49 1HE2 GLN 8 1HE2 GLN 8 9.552 -6.866 -1.649 50 2HE2 GLN 8 2HE2 GLN 8 11.143 -6.453 -2.286 51 H ARG 9 H ARG 9 8.914 -0.714 -0.682 52 HA ARG 9 HA ARG 9 6.337 0.175 -0.002 53 1HB ARG 9 1HB ARG 9 8.399 1.510 0.380 54 2HB ARG 9 2HB ARG 9 8.364 1.957 -1.314 55 1HG ARG 9 1HG ARG 9 6.249 2.806 -1.080 56 2HG ARG 9 2HG ARG 9 6.242 2.410 0.617 57 1HD ARG 9 1HD ARG 9 8.480 4.102 -0.334 58 2HD ARG 9 2HD ARG 9 6.870 4.815 -0.496 59 HE ARG 9 HE ARG 9 6.729 5.152 1.725 60 1HH1 ARG 9 1HH1 ARG 9 9.636 3.084 1.403 61 2HH1 ARG 9 2HH1 ARG 9 9.249 2.195 2.885 62 1HH2 ARG 9 1HH2 ARG 9 6.601 4.360 3.873 63 2HH2 ARG 9 2HH2 ARG 9 7.565 2.999 4.320 64 H HIS 10 H HIS 10 4.665 0.099 -1.041 65 HA HIS 10 HA HIS 10 4.560 0.780 -3.966 66 1HB HIS 10 1HB HIS 10 3.371 -1.780 -2.844 67 2HB HIS 10 2HB HIS 10 3.171 -1.185 -4.484 68 HD1 HIS 10 HD1 HIS 10 6.703 -0.657 -4.255 69 HD2 HIS 10 HD2 HIS 10 4.240 -4.047 -4.018 70 HE1 HIS 10 HE1 HIS 10 8.161 -2.672 -4.865 71 H LYS 11 H LYS 11 2.196 0.985 -4.691 72 HA LYS 11 HA LYS 11 0.460 1.956 -2.485 73 1HB LYS 11 1HB LYS 11 1.295 3.607 -4.887 74 2HB LYS 11 2HB LYS 11 -0.136 3.928 -3.915 75 1HG LYS 11 1HG LYS 11 1.089 5.147 -2.507 76 2HG LYS 11 2HG LYS 11 1.862 3.679 -1.975 77 1HD LYS 11 1HD LYS 11 3.611 5.180 -2.508 78 2HD LYS 11 2HD LYS 11 3.590 3.963 -3.781 79 1HE LYS 11 1HE LYS 11 3.931 6.137 -4.780 80 2HE LYS 11 2HE LYS 11 2.330 5.551 -5.254 81 1HZ LYS 11 1HZ LYS 11 2.765 7.447 -3.028 82 2HZ LYS 11 2HZ LYS 11 1.317 7.017 -3.682 83 3HZ LYS 11 3HZ LYS 11 2.360 7.897 -4.564 84 H ILE 12 H ILE 12 -1.354 0.864 -2.640 85 HA ILE 12 HA ILE 12 -2.291 -0.035 -5.328 86 HB ILE 12 HB ILE 12 -2.763 -1.299 -2.616 87 1HG1 ILE 12 1HG1 ILE 12 -1.109 -2.557 -4.818 88 2HG1 ILE 12 2HG1 ILE 12 -0.344 -1.471 -3.660 89 1HG2 ILE 12 1HG2 ILE 12 -4.616 -1.668 -4.190 90 2HG2 ILE 12 2HG2 ILE 12 -3.468 -2.195 -5.433 91 3HG2 ILE 12 3HG2 ILE 12 -3.718 -3.168 -3.964 92 1HD1 ILE 12 1HD1 ILE 12 -1.194 -2.810 -1.776 93 2HD1 ILE 12 2HD1 ILE 12 -1.825 -4.012 -2.939 94 3HD1 ILE 12 3HD1 ILE 12 -0.085 -3.697 -2.817 95 H LEU 13 H LEU 13 -3.618 1.502 -5.916 96 HA LEU 13 HA LEU 13 -5.324 3.069 -4.244 97 1HB LEU 13 1HB LEU 13 -4.195 3.651 -6.530 98 2HB LEU 13 2HB LEU 13 -5.538 2.799 -7.259 99 HG LEU 13 HG LEU 13 -7.036 4.436 -5.733 100 1HD1 LEU 13 1HD1 LEU 13 -5.235 5.329 -4.389 101 2HD1 LEU 13 2HD1 LEU 13 -5.899 6.596 -5.416 102 3HD1 LEU 13 3HD1 LEU 13 -4.344 5.866 -5.835 103 1HD2 LEU 13 1HD2 LEU 13 -5.466 5.438 -8.154 104 2HD2 LEU 13 2HD2 LEU 13 -6.992 6.118 -7.531 105 3HD2 LEU 13 3HD2 LEU 13 -6.964 4.482 -8.203 106 H CYS 14 H CYS 14 -6.620 1.613 -3.115 107 HA CYS 14 HA CYS 14 -8.685 0.093 -4.658 108 1HB CYS 14 1HB CYS 14 -7.920 0.105 -1.702 109 2HB CYS 14 2HB CYS 14 -9.323 -0.764 -2.363 110 HG CYS 14 HG CYS 14 -7.429 -2.483 -1.960 111 H VAL 15 H VAL 15 -10.913 0.362 -3.068 112 HA VAL 15 HA VAL 15 -11.247 3.215 -2.495 113 HB VAL 15 HB VAL 15 -13.578 3.119 -3.395 114 1HG1 VAL 15 1HG1 VAL 15 -12.973 3.599 -5.699 115 2HG1 VAL 15 2HG1 VAL 15 -11.785 4.293 -4.591 116 3HG1 VAL 15 3HG1 VAL 15 -11.393 2.809 -5.492 117 1HG2 VAL 15 1HG2 VAL 15 -14.184 1.498 -5.104 118 2HG2 VAL 15 2HG2 VAL 15 -12.645 0.641 -4.911 119 3HG2 VAL 15 3HG2 VAL 15 -13.839 0.652 -3.590 120 H CYS 16 H CYS 16 -12.774 3.681 -0.958 121 HA CYS 16 HA CYS 16 -13.523 1.702 1.062 122 1HB CYS 16 1HB CYS 16 -13.233 4.174 1.544 123 2HB CYS 16 2HB CYS 16 -14.632 4.474 0.493 124 H CYS 17 H CYS 17 -14.868 0.115 0.309 125 HA CYS 17 HA CYS 17 -16.494 0.255 -1.945 126 1HB CYS 17 1HB CYS 17 -15.541 -1.748 -1.000 127 2HB CYS 17 2HB CYS 17 -16.555 -1.633 0.444 128 HG CYS 17 HG CYS 17 -18.766 -1.560 -1.338 129 H LYS 18 H LYS 18 -17.344 1.959 0.904 130 HA LYS 18 HA LYS 18 -20.204 1.795 0.139 131 1HB LYS 18 1HB LYS 18 -20.645 2.562 2.416 132 2HB LYS 18 2HB LYS 18 -20.073 0.891 2.241 133 1HG LYS 18 1HG LYS 18 -18.001 1.384 3.273 134 2HG LYS 18 2HG LYS 18 -18.211 3.126 3.072 135 1HD LYS 18 1HD LYS 18 -18.602 2.203 5.414 136 2HD LYS 18 2HD LYS 18 -19.850 3.275 4.768 137 1HE LYS 18 1HE LYS 18 -21.244 1.316 4.178 138 2HE LYS 18 2HE LYS 18 -20.014 0.225 4.840 139 1HZ LYS 18 1HZ LYS 18 -21.370 2.337 6.451 140 2HZ LYS 18 2HZ LYS 18 -20.441 1.131 7.006 141 3HZ LYS 18 3HZ LYS 18 -21.918 0.810 6.377 142 H CYS 19 H CYS 19 -17.482 4.101 0.408 143 HA CYS 19 HA CYS 19 -19.465 6.131 -0.452 144 1HB CYS 19 1HB CYS 19 -18.000 7.751 0.445 145 2HB CYS 19 2HB CYS 19 -18.474 6.629 1.713 146 H ASP 20 H ASP 20 -17.254 4.007 -1.683 147 HA ASP 20 HA ASP 20 -15.943 3.791 -3.400 148 1HB ASP 20 1HB ASP 20 -18.029 4.485 -4.581 149 2HB ASP 20 2HB ASP 20 -17.375 6.122 -4.668 150 H GLY 21 H GLY 21 -15.211 5.667 -1.178 151 1HA GLY 21 1HA GLY 21 -13.774 7.855 -2.326 152 2HA GLY 21 2HA GLY 21 -13.561 7.315 -0.678 153 H ARG 22 H ARG 22 -11.983 7.974 -3.009 154 HA ARG 22 HA ARG 22 -10.249 5.961 -4.044 155 1HB ARG 22 1HB ARG 22 -10.547 8.184 -4.979 156 2HB ARG 22 2HB ARG 22 -9.878 8.948 -3.540 157 1HG ARG 22 1HG ARG 22 -8.216 7.106 -5.300 158 2HG ARG 22 2HG ARG 22 -8.466 8.815 -5.673 159 1HD ARG 22 1HD ARG 22 -7.664 9.274 -3.242 160 2HD ARG 22 2HD ARG 22 -7.018 7.635 -3.299 161 HE ARG 22 HE ARG 22 -6.217 9.129 -5.612 162 1HH1 ARG 22 1HH1 ARG 22 -5.442 9.013 -2.104 163 2HH1 ARG 22 2HH1 ARG 22 -3.706 8.879 -2.478 164 1HH2 ARG 22 1HH2 ARG 22 -3.814 9.172 -5.859 165 2HH2 ARG 22 2HH2 ARG 22 -2.910 8.986 -4.349 166 H ILE 23 H ILE 23 -8.976 4.570 -2.783 167 HA ILE 23 HA ILE 23 -7.728 5.816 -0.430 168 HB ILE 23 HB ILE 23 -9.891 4.138 -0.308 169 1HG1 ILE 23 1HG1 ILE 23 -7.737 4.488 1.800 170 2HG1 ILE 23 2HG1 ILE 23 -9.000 5.665 1.395 171 1HG2 ILE 23 1HG2 ILE 23 -9.261 1.979 0.555 172 2HG2 ILE 23 2HG2 ILE 23 -8.608 2.185 -1.064 173 3HG2 ILE 23 3HG2 ILE 23 -7.538 2.371 0.331 174 1HD1 ILE 23 1HD1 ILE 23 -10.737 3.994 2.028 175 2HD1 ILE 23 2HD1 ILE 23 -9.434 2.924 2.606 176 3HD1 ILE 23 3HD1 ILE 23 -9.654 4.503 3.348 177 H GLU 24 H GLU 24 -5.651 5.939 -0.716 178 HA GLU 24 HA GLU 24 -4.273 4.176 -2.622 179 1HB GLU 24 1HB GLU 24 -4.085 6.557 -2.784 180 2HB GLU 24 2HB GLU 24 -3.506 6.692 -1.116 181 1HG GLU 24 1HG GLU 24 -1.435 5.489 -1.756 182 2HG GLU 24 2HG GLU 24 -2.084 5.217 -3.379 183 H LEU 25 H LEU 25 -4.042 2.178 -1.617 184 HA LEU 25 HA LEU 25 -3.222 2.011 1.155 185 1HB LEU 25 1HB LEU 25 -3.195 -0.205 -0.900 186 2HB LEU 25 2HB LEU 25 -3.135 -0.368 0.841 187 HG LEU 25 HG LEU 25 -5.492 0.616 -0.835 188 1HD1 LEU 25 1HD1 LEU 25 -5.084 -1.904 0.851 189 2HD1 LEU 25 2HD1 LEU 25 -5.098 -1.817 -0.923 190 3HD1 LEU 25 3HD1 LEU 25 -6.572 -1.456 -0.007 191 1HD2 LEU 25 1HD2 LEU 25 -6.716 0.542 1.386 192 2HD2 LEU 25 2HD2 LEU 25 -5.501 1.822 1.310 193 3HD2 LEU 25 3HD2 LEU 25 -5.155 0.329 2.200 194 H THR 26 H THR 26 -1.355 3.254 1.197 195 HA THR 26 HA THR 26 1.036 2.500 -0.295 196 HB THR 26 HB THR 26 0.811 4.195 2.219 197 HG1 THR 26 HG1 THR 26 -0.371 4.945 0.351 198 1HG2 THR 26 1HG2 THR 26 3.017 3.952 0.123 199 2HG2 THR 26 2HG2 THR 26 3.111 3.407 1.811 200 3HG2 THR 26 3HG2 THR 26 2.967 5.136 1.450 201 H VAL 27 H VAL 27 1.700 0.480 -0.032 202 HA VAL 27 HA VAL 27 1.839 -0.713 2.700 203 HB VAL 27 HB VAL 27 1.795 -2.905 1.601 204 1HG1 VAL 27 1HG1 VAL 27 -0.326 -1.885 2.395 205 2HG1 VAL 27 2HG1 VAL 27 -0.621 -1.254 0.761 206 3HG1 VAL 27 3HG1 VAL 27 -0.561 -3.005 1.042 207 1HG2 VAL 27 1HG2 VAL 27 1.185 -1.459 -1.017 208 2HG2 VAL 27 2HG2 VAL 27 2.705 -2.300 -0.627 209 3HG2 VAL 27 3HG2 VAL 27 1.200 -3.214 -0.741 210 H GLU 28 H GLU 28 3.757 -2.307 2.818 211 HA GLU 28 HA GLU 28 5.967 -1.688 0.980 212 1HB GLU 28 1HB GLU 28 6.155 -1.654 3.950 213 2HB GLU 28 2HB GLU 28 7.564 -1.759 2.883 214 1HG GLU 28 1HG GLU 28 6.843 0.486 1.967 215 2HG GLU 28 2HG GLU 28 5.596 0.550 3.205 216 H SER 29 H SER 29 5.308 -3.642 -0.050 217 HA SER 29 HA SER 29 6.291 -6.022 1.237 218 1HB SER 29 1HB SER 29 3.805 -5.734 2.002 219 2HB SER 29 2HB SER 29 3.406 -6.148 0.321 220 HG SER 29 HG SER 29 3.410 -8.006 1.528 221 H SER 30 H SER 30 6.333 -7.789 -0.326 222 HA SER 30 HA SER 30 7.276 -6.759 -2.865 223 1HB SER 30 1HB SER 30 6.966 -9.609 -1.804 224 2HB SER 30 2HB SER 30 7.871 -9.157 -3.263 225 HG SER 30 HG SER 30 9.106 -9.346 -1.254 226 H ALA 31 H ALA 31 6.732 -7.799 -4.952 227 HA ALA 31 HA ALA 31 4.247 -7.126 -5.785 228 1HB ALA 31 1HB ALA 31 6.188 -7.411 -7.250 229 2HB ALA 31 2HB ALA 31 6.095 -9.181 -7.061 230 3HB ALA 31 3HB ALA 31 4.787 -8.299 -7.877 231 H GLU 32 H GLU 32 5.187 -10.467 -4.821 232 HA GLU 32 HA GLU 32 2.822 -11.759 -5.732 233 1HB GLU 32 1HB GLU 32 4.816 -12.439 -3.534 234 2HB GLU 32 2HB GLU 32 3.581 -13.557 -4.134 235 1HG GLU 32 1HG GLU 32 4.560 -13.578 -6.355 236 2HG GLU 32 2HG GLU 32 5.697 -12.293 -5.939 237 H ASP 33 H ASP 33 3.671 -10.279 -2.580 238 HA ASP 33 HA ASP 33 1.218 -11.066 -1.298 239 1HB ASP 33 1HB ASP 33 3.279 -10.790 -0.028 240 2HB ASP 33 2HB ASP 33 3.378 -9.097 -0.528 241 H LEU 34 H LEU 34 2.552 -8.065 -2.777 242 HA LEU 34 HA LEU 34 0.290 -6.385 -2.549 243 1HB LEU 34 1HB LEU 34 2.260 -5.484 -3.435 244 2HB LEU 34 2HB LEU 34 2.386 -6.674 -4.711 245 HG LEU 34 HG LEU 34 -0.069 -4.933 -4.765 246 1HD1 LEU 34 1HD1 LEU 34 1.774 -3.333 -4.234 247 2HD1 LEU 34 2HD1 LEU 34 1.083 -3.083 -5.842 248 3HD1 LEU 34 3HD1 LEU 34 2.646 -3.903 -5.680 249 1HD2 LEU 34 1HD2 LEU 34 0.203 -6.551 -6.594 250 2HD2 LEU 34 2HD2 LEU 34 1.835 -5.945 -6.928 251 3HD2 LEU 34 3HD2 LEU 34 0.411 -4.925 -7.220 252 H ARG 35 H ARG 35 0.943 -8.843 -5.086 253 HA ARG 35 HA ARG 35 -1.482 -8.463 -6.518 254 1HB ARG 35 1HB ARG 35 0.638 -9.626 -7.234 255 2HB ARG 35 2HB ARG 35 0.240 -10.991 -6.212 256 1HG ARG 35 1HG ARG 35 -1.710 -11.518 -7.551 257 2HG ARG 35 2HG ARG 35 -1.503 -10.030 -8.514 258 1HD ARG 35 1HD ARG 35 0.706 -10.845 -9.287 259 2HD ARG 35 2HD ARG 35 0.515 -12.322 -8.349 260 HE ARG 35 HE ARG 35 -0.787 -11.557 -10.862 261 1HH1 ARG 35 1HH1 ARG 35 -0.751 -13.922 -8.227 262 2HH1 ARG 35 2HH1 ARG 35 -1.509 -15.182 -9.130 263 1HH2 ARG 35 1HH2 ARG 35 -1.807 -13.222 -12.089 264 2HH2 ARG 35 2HH2 ARG 35 -2.127 -14.758 -11.376 265 H THR 36 H THR 36 -0.620 -10.714 -3.948 266 HA THR 36 HA THR 36 -3.132 -12.080 -3.811 267 HB THR 36 HB THR 36 -1.148 -11.527 -1.559 268 HG1 THR 36 HG1 THR 36 -0.055 -12.524 -3.220 269 1HG2 THR 36 1HG2 THR 36 -3.269 -12.424 -0.695 270 2HG2 THR 36 2HG2 THR 36 -2.008 -13.660 -0.612 271 3HG2 THR 36 3HG2 THR 36 -3.235 -13.727 -1.901 272 H LEU 37 H LEU 37 -1.918 -9.293 -1.831 273 HA LEU 37 HA LEU 37 -4.353 -9.083 -0.404 274 1HB LEU 37 1HB LEU 37 -3.438 -7.414 0.832 275 2HB LEU 37 2HB LEU 37 -2.111 -8.457 0.399 276 HG LEU 37 HG LEU 37 -1.715 -6.653 -1.534 277 1HD1 LEU 37 1HD1 LEU 37 -2.213 -4.345 -0.543 278 2HD1 LEU 37 2HD1 LEU 37 -3.309 -5.136 0.576 279 3HD1 LEU 37 3HD1 LEU 37 -3.616 -5.201 -1.179 280 1HD2 LEU 37 1HD2 LEU 37 -0.163 -5.472 -0.039 281 2HD2 LEU 37 2HD2 LEU 37 -0.131 -7.207 0.293 282 3HD2 LEU 37 3HD2 LEU 37 -1.011 -6.124 1.385 283 H GLN 38 H GLN 38 -3.262 -7.583 -3.467 284 HA GLN 38 HA GLN 38 -5.391 -5.797 -3.910 285 1HB GLN 38 1HB GLN 38 -3.395 -5.893 -5.327 286 2HB GLN 38 2HB GLN 38 -3.547 -7.607 -5.537 287 1HG GLN 38 1HG GLN 38 -4.064 -6.730 -7.607 288 2HG GLN 38 2HG GLN 38 -5.599 -7.283 -6.968 289 1HE2 GLN 38 1HE2 GLN 38 -3.425 -4.422 -6.889 290 2HE2 GLN 38 2HE2 GLN 38 -4.713 -3.230 -6.980 291 H GLN 39 H GLN 39 -4.976 -9.286 -4.756 292 HA GLN 39 HA GLN 39 -7.407 -9.485 -6.004 293 1HB GLN 39 1HB GLN 39 -5.493 -11.488 -4.937 294 2HB GLN 39 2HB GLN 39 -7.028 -11.985 -5.714 295 1HG GLN 39 1HG GLN 39 -6.609 -10.582 -7.647 296 2HG GLN 39 2HG GLN 39 -5.200 -9.850 -6.915 297 1HE2 GLN 39 1HE2 GLN 39 -4.218 -10.257 -8.847 298 2HE2 GLN 39 2HE2 GLN 39 -3.653 -11.873 -9.228 299 H LEU 40 H LEU 40 -6.710 -10.062 -2.496 300 HA LEU 40 HA LEU 40 -9.484 -10.739 -2.021 301 1HB LEU 40 1HB LEU 40 -9.031 -9.987 0.346 302 2HB LEU 40 2HB LEU 40 -8.291 -11.442 -0.318 303 HG LEU 40 HG LEU 40 -6.281 -9.673 -0.725 304 1HD1 LEU 40 1HD1 LEU 40 -7.546 -8.854 1.931 305 2HD1 LEU 40 2HD1 LEU 40 -7.554 -7.822 0.492 306 3HD1 LEU 40 3HD1 LEU 40 -6.028 -8.247 1.254 307 1HD2 LEU 40 1HD2 LEU 40 -6.056 -11.848 0.284 308 2HD2 LEU 40 2HD2 LEU 40 -6.832 -11.274 1.780 309 3HD2 LEU 40 3HD2 LEU 40 -5.250 -10.635 1.286 310 H PHE 41 H PHE 41 -7.727 -7.676 -1.772 311 HA PHE 41 HA PHE 41 -10.128 -6.121 -1.141 312 1HB PHE 41 1HB PHE 41 -7.408 -5.254 -2.173 313 2HB PHE 41 2HB PHE 41 -8.718 -4.135 -1.853 314 HD1 PHE 41 HD1 PHE 41 -9.921 -4.810 0.641 315 HD2 PHE 41 HD2 PHE 41 -5.774 -4.951 -0.486 316 HE1 PHE 41 HE1 PHE 41 -9.264 -4.558 3.019 317 HE2 PHE 41 HE2 PHE 41 -5.124 -4.707 1.898 318 HZ PHE 41 HZ PHE 41 -6.868 -4.528 3.651 319 H LEU 42 H LEU 42 -9.351 -7.723 -3.984 320 HA LEU 42 HA LEU 42 -10.855 -5.853 -5.740 321 1HB LEU 42 1HB LEU 42 -8.579 -6.328 -6.256 322 2HB LEU 42 2HB LEU 42 -8.856 -8.055 -6.151 323 HG LEU 42 HG LEU 42 -8.538 -6.975 -8.374 324 1HD1 LEU 42 1HD1 LEU 42 -10.964 -8.775 -8.109 325 2HD1 LEU 42 2HD1 LEU 42 -9.271 -9.310 -8.071 326 3HD1 LEU 42 3HD1 LEU 42 -9.939 -8.568 -9.535 327 1HD2 LEU 42 1HD2 LEU 42 -10.041 -5.074 -8.114 328 2HD2 LEU 42 2HD2 LEU 42 -11.440 -6.170 -8.152 329 3HD2 LEU 42 3HD2 LEU 42 -10.389 -6.025 -9.568 330 H SER 43 H SER 43 -10.807 -9.128 -4.222 331 HA SER 43 HA SER 43 -12.848 -10.183 -5.927 332 1HB SER 43 1HB SER 43 -12.751 -12.024 -4.369 333 2HB SER 43 2HB SER 43 -11.143 -11.517 -4.796 334 HG SER 43 HG SER 43 -12.504 -11.138 -2.304 335 H THR 44 H THR 44 -12.759 -9.033 -2.618 336 HA THR 44 HA THR 44 -15.630 -8.708 -2.430 337 HB THR 44 HB THR 44 -15.338 -10.267 -0.275 338 HG1 THR 44 HG1 THR 44 -13.797 -11.794 -0.497 339 1HG2 THR 44 1HG2 THR 44 -16.801 -10.790 -2.227 340 2HG2 THR 44 2HG2 THR 44 -16.054 -12.215 -1.477 341 3HG2 THR 44 3HG2 THR 44 -15.417 -11.588 -3.008 342 H LEU 45 H LEU 45 -12.441 -8.413 -0.870 343 HA LEU 45 HA LEU 45 -13.594 -7.111 1.461 344 1HB LEU 45 1HB LEU 45 -11.467 -8.699 1.193 345 2HB LEU 45 2HB LEU 45 -10.643 -7.205 0.785 346 HG LEU 45 HG LEU 45 -11.414 -6.274 3.031 347 1HD1 LEU 45 1HD1 LEU 45 -12.116 -7.948 4.749 348 2HD1 LEU 45 2HD1 LEU 45 -12.250 -9.182 3.479 349 3HD1 LEU 45 3HD1 LEU 45 -13.334 -7.776 3.486 350 1HD2 LEU 45 1HD2 LEU 45 -9.771 -8.843 3.137 351 2HD2 LEU 45 2HD2 LEU 45 -9.745 -7.521 4.327 352 3HD2 LEU 45 3HD2 LEU 45 -9.150 -7.243 2.685 353 H SER 46 H SER 46 -12.698 -4.938 2.206 354 HA SER 46 HA SER 46 -11.629 -3.149 0.206 355 1HB SER 46 1HB SER 46 -14.022 -2.783 -0.087 356 2HB SER 46 2HB SER 46 -14.228 -2.594 1.673 357 HG SER 46 HG SER 46 -12.954 -0.753 -0.137 358 H PHE 47 H PHE 47 -11.209 -1.057 1.471 359 HA PHE 47 HA PHE 47 -9.871 -1.977 3.932 360 1HB PHE 47 1HB PHE 47 -8.722 -0.707 1.930 361 2HB PHE 47 2HB PHE 47 -9.411 0.722 2.661 362 HD1 PHE 47 HD1 PHE 47 -6.924 -1.965 2.988 363 HD2 PHE 47 HD2 PHE 47 -8.631 1.487 4.927 364 HE1 PHE 47 HE1 PHE 47 -5.010 -1.906 4.567 365 HE2 PHE 47 HE2 PHE 47 -6.708 1.553 6.492 366 HZ PHE 47 HZ PHE 47 -4.893 -0.139 6.313 367 H VAL 48 H VAL 48 -12.353 0.190 2.875 368 HA VAL 48 HA VAL 48 -13.731 1.665 3.787 369 HB VAL 48 HB VAL 48 -13.427 0.066 6.343 370 1HG1 VAL 48 1HG1 VAL 48 -15.688 1.839 5.310 371 2HG1 VAL 48 2HG1 VAL 48 -15.728 0.855 6.791 372 3HG1 VAL 48 3HG1 VAL 48 -14.610 2.216 6.676 373 1HG2 VAL 48 1HG2 VAL 48 -15.432 -1.158 5.486 374 2HG2 VAL 48 2HG2 VAL 48 -15.283 -0.297 3.938 375 3HG2 VAL 48 3HG2 VAL 48 -14.015 -1.424 4.473 376 H CYS 49 H CYS 49 -13.031 3.721 3.778 377 HA CYS 49 HA CYS 49 -10.751 4.681 5.156 378 1HB CYS 49 1HB CYS 49 -11.678 6.925 4.618 379 2HB CYS 49 2HB CYS 49 -11.684 5.846 3.234 380 HA PRO 50 HA PRO 50 -11.967 4.901 9.266 381 1HB PRO 50 1HB PRO 50 -10.772 7.182 10.298 382 2HB PRO 50 2HB PRO 50 -9.932 5.651 9.911 383 1HG PRO 50 1HG PRO 50 -10.170 8.136 8.193 384 2HG PRO 50 2HG PRO 50 -8.706 7.157 8.533 385 1HD PRO 50 1HD PRO 50 -10.098 6.829 6.238 386 2HD PRO 50 2HD PRO 50 -9.440 5.407 7.102 387 H TRP 51 H TRP 51 -12.758 7.795 7.386 388 HA TRP 51 HA TRP 51 -14.706 8.893 9.163 389 1HB TRP 51 1HB TRP 51 -13.862 10.112 7.211 390 2HB TRP 51 2HB TRP 51 -14.573 8.916 6.126 391 HD1 TRP 51 HD1 TRP 51 -15.581 11.727 8.543 392 HE1 TRP 51 HE1 TRP 51 -18.013 12.427 8.101 393 HE3 TRP 51 HE3 TRP 51 -16.803 8.261 4.985 394 HZ2 TRP 51 HZ2 TRP 51 -20.231 11.542 6.487 395 HZ3 TRP 51 HZ3 TRP 51 -19.094 8.190 4.036 396 HH2 TRP 51 HH2 TRP 51 -20.813 9.817 4.786 397 H CYS 52 H CYS 52 -14.950 6.389 6.552 398 HA CYS 52 HA CYS 52 -17.747 5.832 7.093 399 1HB CYS 52 1HB CYS 52 -15.574 4.426 5.509 400 2HB CYS 52 2HB CYS 52 -17.152 3.717 5.795 401 H ALA 53 H ALA 53 -14.612 4.468 8.267 402 HA ALA 53 HA ALA 53 -15.830 2.325 9.713 403 1HB ALA 53 1HB ALA 53 -13.321 3.817 10.550 404 2HB ALA 53 2HB ALA 53 -13.770 2.151 10.931 405 3HB ALA 53 3HB ALA 53 -13.359 2.582 9.258 406 H THR 54 H THR 54 -15.601 5.750 10.428 407 HA THR 54 HA THR 54 -16.545 5.492 13.179 408 HB THR 54 HB THR 54 -16.274 7.974 11.429 409 HG1 THR 54 HG1 THR 54 -14.279 6.960 11.533 410 1HG2 THR 54 1HG2 THR 54 -16.281 7.621 14.458 411 2HG2 THR 54 2HG2 THR 54 -17.576 8.366 13.492 412 3HG2 THR 54 3HG2 THR 54 -15.985 9.141 13.588 413 H ASN 55 H ASN 55 -17.943 6.750 10.091 414 HA ASN 55 HA ASN 55 -20.516 7.311 11.376 415 1HB ASN 55 1HB ASN 55 -19.559 7.598 8.489 416 2HB ASN 55 2HB ASN 55 -21.157 8.070 9.063 417 1HD2 ASN 55 1HD2 ASN 55 -17.662 8.739 9.492 418 2HD2 ASN 55 2HD2 ASN 55 -17.928 10.325 10.205 419 H GLN 56 H GLN 56 -19.153 4.702 9.677 420 HA GLN 56 HA GLN 56 -19.775 2.743 8.918 421 1HB GLN 56 1HB GLN 56 -21.390 3.057 11.439 422 2HB GLN 56 2HB GLN 56 -21.176 1.500 10.591 423 1HG GLN 56 1HG GLN 56 -18.733 1.705 10.749 424 2HG GLN 56 2HG GLN 56 -18.897 3.276 11.537 425 1HE2 GLN 56 1HE2 GLN 56 -17.489 2.320 13.124 426 2HE2 GLN 56 2HE2 GLN 56 -18.227 1.362 14.432 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 13.628 4.716 -3.834 2 1HA GLY 1 1HA GLY 1 11.265 4.872 -5.582 3 2HA GLY 1 2HA GLY 1 11.372 5.508 -3.929 4 H SER 2 H SER 2 13.036 5.713 -7.120 5 HA SER 2 HA SER 2 13.015 8.551 -7.293 6 1HB SER 2 1HB SER 2 14.889 8.241 -5.625 7 2HB SER 2 2HB SER 2 15.687 7.142 -6.762 8 HG SER 2 HG SER 2 15.453 9.908 -6.792 9 H HIS 3 H HIS 3 15.523 8.109 -9.029 10 HA HIS 3 HA HIS 3 14.452 6.922 -11.439 11 1HB HIS 3 1HB HIS 3 16.647 7.224 -12.336 12 2HB HIS 3 2HB HIS 3 16.280 8.635 -11.351 13 HD1 HIS 3 HD1 HIS 3 18.372 5.405 -11.217 14 HD2 HIS 3 HD2 HIS 3 17.936 9.121 -9.283 15 HE1 HIS 3 HE1 HIS 3 20.360 5.640 -9.594 16 H MET 4 H MET 4 15.117 5.367 -8.611 17 HA MET 4 HA MET 4 15.235 2.772 -9.934 18 1HB MET 4 1HB MET 4 17.511 3.024 -9.093 19 2HB MET 4 2HB MET 4 16.929 3.621 -7.534 20 1HG MET 4 1HG MET 4 15.909 1.448 -7.030 21 2HG MET 4 2HG MET 4 16.401 0.813 -8.598 22 1HE MET 4 1HE MET 4 20.253 0.361 -8.202 23 2HE MET 4 2HE MET 4 18.819 0.069 -9.210 24 3HE MET 4 3HE MET 4 19.433 1.727 -8.985 25 H ALA 5 H ALA 5 13.815 1.299 -8.775 26 HA ALA 5 HA ALA 5 12.529 2.280 -6.391 27 1HB ALA 5 1HB ALA 5 10.924 2.808 -8.201 28 2HB ALA 5 2HB ALA 5 11.002 1.111 -8.747 29 3HB ALA 5 3HB ALA 5 10.327 1.508 -7.151 30 H GLU 6 H GLU 6 11.535 0.536 -5.255 31 HA GLU 6 HA GLU 6 13.172 -1.929 -5.440 32 1HB GLU 6 1HB GLU 6 13.176 -1.778 -2.944 33 2HB GLU 6 2HB GLU 6 14.016 -0.467 -3.749 34 1HG GLU 6 1HG GLU 6 11.143 -0.181 -2.747 35 2HG GLU 6 2HG GLU 6 12.548 0.068 -1.729 36 HA PRO 7 HA PRO 7 9.449 -4.187 -5.322 37 1HB PRO 7 1HB PRO 7 10.244 -6.672 -4.615 38 2HB PRO 7 2HB PRO 7 10.968 -5.839 -6.019 39 1HG PRO 7 1HG PRO 7 12.077 -5.994 -3.193 40 2HG PRO 7 2HG PRO 7 12.920 -6.368 -4.732 41 1HD PRO 7 1HD PRO 7 13.063 -3.924 -3.467 42 2HD PRO 7 2HD PRO 7 13.184 -4.084 -5.236 43 H GLN 8 H GLN 8 9.219 -2.495 -3.268 44 HA GLN 8 HA GLN 8 7.817 -4.056 -1.240 45 1HB GLN 8 1HB GLN 8 10.366 -3.793 -0.550 46 2HB GLN 8 2HB GLN 8 9.891 -2.159 -0.124 47 1HG GLN 8 1HG GLN 8 9.688 -3.441 1.845 48 2HG GLN 8 2HG GLN 8 8.045 -3.177 1.294 49 1HE2 GLN 8 1HE2 GLN 8 9.193 -5.715 -0.799 50 2HE2 GLN 8 2HE2 GLN 8 8.657 -6.996 0.292 51 H ARG 9 H ARG 9 9.047 -0.661 -1.302 52 HA ARG 9 HA ARG 9 6.686 0.663 -0.713 53 1HB ARG 9 1HB ARG 9 8.960 1.645 -0.813 54 2HB ARG 9 2HB ARG 9 8.842 1.685 -2.570 55 1HG ARG 9 1HG ARG 9 8.275 3.800 -1.793 56 2HG ARG 9 2HG ARG 9 6.731 2.999 -2.085 57 1HD ARG 9 1HD ARG 9 6.365 2.669 0.269 58 2HD ARG 9 2HD ARG 9 8.024 3.212 0.635 59 HE ARG 9 HE ARG 9 6.289 5.124 -0.725 60 1HH1 ARG 9 1HH1 ARG 9 7.501 4.025 2.511 61 2HH1 ARG 9 2HH1 ARG 9 7.064 5.497 3.275 62 1HH2 ARG 9 1HH2 ARG 9 5.751 7.073 0.372 63 2HH2 ARG 9 2HH2 ARG 9 6.066 7.238 2.062 64 H HIS 10 H HIS 10 4.787 0.150 -1.623 65 HA HIS 10 HA HIS 10 4.522 0.241 -4.607 66 1HB HIS 10 1HB HIS 10 3.334 -1.794 -2.682 67 2HB HIS 10 2HB HIS 10 2.928 -1.653 -4.388 68 HD1 HIS 10 HD1 HIS 10 4.526 -4.244 -2.793 69 HD2 HIS 10 HD2 HIS 10 6.179 -1.283 -5.226 70 HE1 HIS 10 HE1 HIS 10 6.495 -5.277 -3.881 71 H LYS 11 H LYS 11 2.381 0.895 -5.363 72 HA LYS 11 HA LYS 11 0.697 2.247 -3.303 73 1HB LYS 11 1HB LYS 11 1.520 3.164 -6.061 74 2HB LYS 11 2HB LYS 11 0.128 3.830 -5.201 75 1HG LYS 11 1HG LYS 11 1.374 5.143 -3.879 76 2HG LYS 11 2HG LYS 11 2.492 3.845 -3.471 77 1HD LYS 11 1HD LYS 11 3.720 5.624 -4.554 78 2HD LYS 11 2HD LYS 11 3.720 4.183 -5.565 79 1HE LYS 11 1HE LYS 11 3.386 6.001 -7.026 80 2HE LYS 11 2HE LYS 11 1.822 5.196 -6.910 81 1HZ LYS 11 1HZ LYS 11 1.002 6.927 -5.510 82 2HZ LYS 11 2HZ LYS 11 1.720 7.649 -6.757 83 3HZ LYS 11 3HZ LYS 11 2.499 7.585 -5.304 84 H ILE 12 H ILE 12 -1.165 1.213 -3.121 85 HA ILE 12 HA ILE 12 -2.443 0.073 -5.580 86 HB ILE 12 HB ILE 12 -2.623 -0.858 -2.692 87 1HG1 ILE 12 1HG1 ILE 12 -1.583 -2.354 -5.141 88 2HG1 ILE 12 2HG1 ILE 12 -0.550 -1.549 -3.960 89 1HG2 ILE 12 1HG2 ILE 12 -4.839 -0.989 -3.841 90 2HG2 ILE 12 2HG2 ILE 12 -4.091 -1.851 -5.196 91 3HG2 ILE 12 3HG2 ILE 12 -4.193 -2.595 -3.584 92 1HD1 ILE 12 1HD1 ILE 12 -1.510 -2.950 -2.144 93 2HD1 ILE 12 2HD1 ILE 12 -2.392 -3.894 -3.383 94 3HD1 ILE 12 3HD1 ILE 12 -0.632 -3.867 -3.363 95 H LEU 13 H LEU 13 -3.727 1.798 -6.189 96 HA LEU 13 HA LEU 13 -5.173 3.349 -4.252 97 1HB LEU 13 1HB LEU 13 -4.381 4.207 -6.453 98 2HB LEU 13 2HB LEU 13 -5.638 3.260 -7.248 99 HG LEU 13 HG LEU 13 -6.469 5.040 -4.936 100 1HD1 LEU 13 1HD1 LEU 13 -5.669 6.094 -7.664 101 2HD1 LEU 13 2HD1 LEU 13 -4.902 6.463 -6.102 102 3HD1 LEU 13 3HD1 LEU 13 -6.557 7.012 -6.430 103 1HD2 LEU 13 1HD2 LEU 13 -8.451 5.446 -6.359 104 2HD2 LEU 13 2HD2 LEU 13 -8.194 3.718 -6.132 105 3HD2 LEU 13 3HD2 LEU 13 -7.730 4.482 -7.664 106 H CYS 14 H CYS 14 -6.635 2.427 -3.058 107 HA CYS 14 HA CYS 14 -8.625 0.589 -4.300 108 1HB CYS 14 1HB CYS 14 -7.186 -0.197 -2.287 109 2HB CYS 14 2HB CYS 14 -8.105 0.975 -1.325 110 HG CYS 14 HG CYS 14 -9.182 -1.582 -3.160 111 H VAL 15 H VAL 15 -10.791 0.969 -2.816 112 HA VAL 15 HA VAL 15 -11.176 3.822 -2.327 113 HB VAL 15 HB VAL 15 -13.445 3.766 -3.324 114 1HG1 VAL 15 1HG1 VAL 15 -12.765 4.156 -5.620 115 2HG1 VAL 15 2HG1 VAL 15 -11.569 4.829 -4.509 116 3HG1 VAL 15 3HG1 VAL 15 -11.227 3.304 -5.358 117 1HG2 VAL 15 1HG2 VAL 15 -12.562 1.205 -4.727 118 2HG2 VAL 15 2HG2 VAL 15 -13.798 1.309 -3.450 119 3HG2 VAL 15 3HG2 VAL 15 -14.061 2.115 -5.001 120 H CYS 16 H CYS 16 -12.834 4.248 -0.870 121 HA CYS 16 HA CYS 16 -13.522 2.112 1.029 122 1HB CYS 16 1HB CYS 16 -13.324 4.535 1.738 123 2HB CYS 16 2HB CYS 16 -14.694 4.903 0.680 124 H CYS 17 H CYS 17 -14.671 0.564 -0.119 125 HA CYS 17 HA CYS 17 -16.367 0.903 -2.251 126 1HB CYS 17 1HB CYS 17 -15.273 -1.199 -1.360 127 2HB CYS 17 2HB CYS 17 -16.620 -1.338 -0.208 128 HG CYS 17 HG CYS 17 -18.424 -1.074 -2.225 129 H LYS 18 H LYS 18 -17.285 2.150 0.758 130 HA LYS 18 HA LYS 18 -20.158 1.908 0.089 131 1HB LYS 18 1HB LYS 18 -20.507 2.371 2.520 132 2HB LYS 18 2HB LYS 18 -19.918 0.767 2.063 133 1HG LYS 18 1HG LYS 18 -17.671 1.330 2.842 134 2HG LYS 18 2HG LYS 18 -18.170 3.003 3.148 135 1HD LYS 18 1HD LYS 18 -18.004 1.613 5.184 136 2HD LYS 18 2HD LYS 18 -19.614 2.322 4.965 137 1HE LYS 18 1HE LYS 18 -20.475 0.184 4.143 138 2HE LYS 18 2HE LYS 18 -18.854 -0.538 4.206 139 1HZ LYS 18 1HZ LYS 18 -18.900 -0.263 6.600 140 2HZ LYS 18 2HZ LYS 18 -20.261 -1.082 6.143 141 3HZ LYS 18 3HZ LYS 18 -20.333 0.503 6.565 142 H CYS 19 H CYS 19 -17.520 4.316 0.454 143 HA CYS 19 HA CYS 19 -19.625 6.289 -0.189 144 1HB CYS 19 1HB CYS 19 -18.306 7.896 0.894 145 2HB CYS 19 2HB CYS 19 -18.687 6.626 2.044 146 H ASP 20 H ASP 20 -17.212 4.484 -1.559 147 HA ASP 20 HA ASP 20 -15.835 4.530 -3.213 148 1HB ASP 20 1HB ASP 20 -17.983 5.045 -4.396 149 2HB ASP 20 2HB ASP 20 -17.483 6.736 -4.436 150 H GLY 21 H GLY 21 -15.216 6.251 -0.930 151 1HA GLY 21 1HA GLY 21 -13.792 8.572 -1.971 152 2HA GLY 21 2HA GLY 21 -13.584 7.927 -0.350 153 H ARG 22 H ARG 22 -11.780 8.743 -2.451 154 HA ARG 22 HA ARG 22 -10.321 6.491 -3.573 155 1HB ARG 22 1HB ARG 22 -10.422 8.644 -4.687 156 2HB ARG 22 2HB ARG 22 -9.694 9.474 -3.320 157 1HG ARG 22 1HG ARG 22 -8.177 7.296 -4.794 158 2HG ARG 22 2HG ARG 22 -8.307 8.926 -5.458 159 1HD ARG 22 1HD ARG 22 -7.399 9.769 -3.183 160 2HD ARG 22 2HD ARG 22 -6.956 8.095 -2.875 161 HE ARG 22 HE ARG 22 -5.249 8.218 -4.427 162 1HH1 ARG 22 1HH1 ARG 22 -7.200 11.136 -4.772 163 2HH1 ARG 22 2HH1 ARG 22 -6.010 11.991 -5.698 164 1HH2 ARG 22 1HH2 ARG 22 -3.637 9.310 -5.578 165 2HH2 ARG 22 2HH2 ARG 22 -3.946 10.901 -6.200 166 H ILE 23 H ILE 23 -8.880 5.167 -2.465 167 HA ILE 23 HA ILE 23 -7.330 6.457 -0.286 168 HB ILE 23 HB ILE 23 -8.059 3.537 -0.117 169 1HG1 ILE 23 1HG1 ILE 23 -9.779 5.787 1.022 170 2HG1 ILE 23 2HG1 ILE 23 -10.245 4.641 -0.244 171 1HG2 ILE 23 1HG2 ILE 23 -7.400 3.885 2.189 172 2HG2 ILE 23 2HG2 ILE 23 -6.198 4.715 1.198 173 3HG2 ILE 23 3HG2 ILE 23 -7.461 5.655 2.001 174 1HD1 ILE 23 1HD1 ILE 23 -9.676 3.940 2.644 175 2HD1 ILE 23 2HD1 ILE 23 -11.223 3.888 1.789 176 3HD1 ILE 23 3HD1 ILE 23 -9.944 2.757 1.335 177 H GLU 24 H GLU 24 -5.439 6.803 -1.371 178 HA GLU 24 HA GLU 24 -4.358 4.742 -3.144 179 1HB GLU 24 1HB GLU 24 -4.212 7.140 -3.660 180 2HB GLU 24 2HB GLU 24 -3.067 7.355 -2.326 181 1HG GLU 24 1HG GLU 24 -1.523 5.740 -3.372 182 2HG GLU 24 2HG GLU 24 -2.718 5.348 -4.615 183 H LEU 25 H LEU 25 -3.871 2.926 -1.974 184 HA LEU 25 HA LEU 25 -2.689 3.115 0.658 185 1HB LEU 25 1HB LEU 25 -2.907 0.619 -1.039 186 2HB LEU 25 2HB LEU 25 -2.754 0.738 0.698 187 HG LEU 25 HG LEU 25 -5.198 1.625 -0.916 188 1HD1 LEU 25 1HD1 LEU 25 -4.884 -0.797 -0.978 189 2HD1 LEU 25 2HD1 LEU 25 -6.265 -0.372 0.051 190 3HD1 LEU 25 3HD1 LEU 25 -4.717 -0.842 0.794 191 1HD2 LEU 25 1HD2 LEU 25 -4.781 1.354 2.101 192 2HD2 LEU 25 2HD2 LEU 25 -6.304 1.777 1.287 193 3HD2 LEU 25 3HD2 LEU 25 -4.921 2.880 1.215 194 H THR 26 H THR 26 -0.915 4.428 0.062 195 HA THR 26 HA THR 26 1.393 3.263 -1.331 196 HB THR 26 HB THR 26 1.260 5.545 0.686 197 HG1 THR 26 HG1 THR 26 0.099 5.886 -1.265 198 1HG2 THR 26 1HG2 THR 26 3.456 6.170 -0.318 199 2HG2 THR 26 2HG2 THR 26 3.443 4.664 -1.270 200 3HG2 THR 26 3HG2 THR 26 3.536 4.601 0.503 201 H VAL 27 H VAL 27 1.921 1.306 -0.556 202 HA VAL 27 HA VAL 27 2.300 0.951 2.379 203 HB VAL 27 HB VAL 27 1.888 -1.449 1.988 204 1HG1 VAL 27 1HG1 VAL 27 -0.532 -1.343 1.775 205 2HG1 VAL 27 2HG1 VAL 27 0.048 0.034 2.729 206 3HG1 VAL 27 3HG1 VAL 27 -0.436 0.266 1.036 207 1HG2 VAL 27 1HG2 VAL 27 1.001 -0.689 -0.835 208 2HG2 VAL 27 2HG2 VAL 27 2.468 -1.608 -0.424 209 3HG2 VAL 27 3HG2 VAL 27 0.872 -2.285 -0.072 210 H GLU 28 H GLU 28 3.983 -0.865 2.746 211 HA GLU 28 HA GLU 28 5.994 -1.029 0.606 212 1HB GLU 28 1HB GLU 28 6.474 -0.550 3.535 213 2HB GLU 28 2HB GLU 28 7.678 -1.382 2.551 214 1HG GLU 28 1HG GLU 28 7.898 0.513 1.094 215 2HG GLU 28 2HG GLU 28 6.504 1.313 1.849 216 H SER 29 H SER 29 5.400 -3.159 -0.129 217 HA SER 29 HA SER 29 5.647 -5.242 1.887 218 1HB SER 29 1HB SER 29 3.159 -4.527 2.024 219 2HB SER 29 2HB SER 29 2.999 -5.248 0.406 220 HG SER 29 HG SER 29 2.517 -6.848 1.907 221 H SER 30 H SER 30 5.716 -7.344 0.957 222 HA SER 30 HA SER 30 7.148 -7.334 -1.552 223 1HB SER 30 1HB SER 30 6.210 -9.607 0.247 224 2HB SER 30 2HB SER 30 7.323 -9.798 -1.126 225 HG SER 30 HG SER 30 8.312 -9.471 1.007 226 H ALA 31 H ALA 31 6.714 -8.734 -3.367 227 HA ALA 31 HA ALA 31 4.433 -8.041 -4.710 228 1HB ALA 31 1HB ALA 31 6.133 -10.547 -5.140 229 2HB ALA 31 2HB ALA 31 5.053 -9.812 -6.335 230 3HB ALA 31 3HB ALA 31 6.492 -8.923 -5.783 231 H GLU 32 H GLU 32 4.928 -11.098 -2.911 232 HA GLU 32 HA GLU 32 2.615 -12.347 -3.974 233 1HB GLU 32 1HB GLU 32 4.829 -13.196 -2.679 234 2HB GLU 32 2HB GLU 32 3.715 -13.178 -1.302 235 1HG GLU 32 1HG GLU 32 2.107 -14.525 -2.725 236 2HG GLU 32 2HG GLU 32 3.334 -14.605 -3.983 237 H ASP 33 H ASP 33 3.176 -10.552 -0.931 238 HA ASP 33 HA ASP 33 0.529 -10.835 0.138 239 1HB ASP 33 1HB ASP 33 2.316 -10.227 1.615 240 2HB ASP 33 2HB ASP 33 2.776 -8.856 0.598 241 H LEU 34 H LEU 34 2.199 -8.291 -1.821 242 HA LEU 34 HA LEU 34 -0.069 -6.625 -2.190 243 1HB LEU 34 1HB LEU 34 2.000 -5.772 -2.783 244 2HB LEU 34 2HB LEU 34 2.430 -7.126 -3.801 245 HG LEU 34 HG LEU 34 -0.004 -5.607 -4.718 246 1HD1 LEU 34 1HD1 LEU 34 1.551 -3.772 -3.906 247 2HD1 LEU 34 2HD1 LEU 34 1.243 -3.753 -5.651 248 3HD1 LEU 34 3HD1 LEU 34 2.777 -4.387 -5.028 249 1HD2 LEU 34 1HD2 LEU 34 2.584 -6.554 -6.086 250 2HD2 LEU 34 2HD2 LEU 34 1.167 -5.904 -6.913 251 3HD2 LEU 34 3HD2 LEU 34 1.072 -7.461 -6.054 252 H ARG 35 H ARG 35 0.857 -9.561 -4.050 253 HA ARG 35 HA ARG 35 -1.305 -9.334 -5.905 254 1HB ARG 35 1HB ARG 35 0.853 -10.707 -6.061 255 2HB ARG 35 2HB ARG 35 0.073 -11.923 -5.056 256 1HG ARG 35 1HG ARG 35 -1.674 -12.251 -6.735 257 2HG ARG 35 2HG ARG 35 -1.075 -10.879 -7.685 258 1HD ARG 35 1HD ARG 35 1.068 -12.088 -8.074 259 2HD ARG 35 2HD ARG 35 0.480 -13.437 -7.099 260 HE ARG 35 HE ARG 35 -0.718 -14.210 -8.846 261 1HH1 ARG 35 1HH1 ARG 35 0.082 -10.851 -9.602 262 2HH1 ARG 35 2HH1 ARG 35 -0.515 -10.897 -11.223 263 1HH2 ARG 35 1HH2 ARG 35 -1.526 -14.304 -11.005 264 2HH2 ARG 35 2HH2 ARG 35 -1.442 -12.921 -12.031 265 H THR 36 H THR 36 -0.950 -11.052 -2.874 266 HA THR 36 HA THR 36 -3.502 -12.372 -2.851 267 HB THR 36 HB THR 36 -1.862 -11.362 -0.540 268 HG1 THR 36 HG1 THR 36 -0.505 -12.640 -1.788 269 1HG2 THR 36 1HG2 THR 36 -3.791 -13.721 -0.731 270 2HG2 THR 36 2HG2 THR 36 -4.052 -12.225 0.196 271 3HG2 THR 36 3HG2 THR 36 -2.774 -13.349 0.678 272 H LEU 37 H LEU 37 -2.448 -9.113 -1.550 273 HA LEU 37 HA LEU 37 -5.052 -8.800 -0.292 274 1HB LEU 37 1HB LEU 37 -4.204 -6.984 0.793 275 2HB LEU 37 2HB LEU 37 -2.793 -7.986 0.591 276 HG LEU 37 HG LEU 37 -2.428 -6.441 -1.593 277 1HD1 LEU 37 1HD1 LEU 37 -4.553 -5.137 -1.293 278 2HD1 LEU 37 2HD1 LEU 37 -3.144 -4.097 -1.087 279 3HD1 LEU 37 3HD1 LEU 37 -4.018 -4.672 0.331 280 1HD2 LEU 37 1HD2 LEU 37 -0.854 -6.646 0.295 281 2HD2 LEU 37 2HD2 LEU 37 -1.825 -5.515 1.247 282 3HD2 LEU 37 3HD2 LEU 37 -1.005 -4.965 -0.235 283 H GLN 38 H GLN 38 -3.401 -7.767 -3.325 284 HA GLN 38 HA GLN 38 -5.437 -5.945 -4.029 285 1HB GLN 38 1HB GLN 38 -4.599 -5.819 -6.125 286 2HB GLN 38 2HB GLN 38 -3.227 -6.072 -5.057 287 1HG GLN 38 1HG GLN 38 -3.218 -8.447 -5.753 288 2HG GLN 38 2HG GLN 38 -4.489 -8.187 -6.925 289 1HE2 GLN 38 1HE2 GLN 38 -1.371 -6.799 -5.872 290 2HE2 GLN 38 2HE2 GLN 38 -0.737 -6.516 -7.508 291 H GLN 39 H GLN 39 -5.068 -9.609 -4.636 292 HA GLN 39 HA GLN 39 -7.415 -9.593 -6.239 293 1HB GLN 39 1HB GLN 39 -7.464 -11.831 -6.328 294 2HB GLN 39 2HB GLN 39 -5.860 -11.184 -6.521 295 1HG GLN 39 1HG GLN 39 -5.498 -11.693 -4.099 296 2HG GLN 39 2HG GLN 39 -7.004 -12.655 -4.193 297 1HE2 GLN 39 1HE2 GLN 39 -3.836 -12.063 -5.661 298 2HE2 GLN 39 2HE2 GLN 39 -3.684 -13.593 -6.527 299 H LEU 40 H LEU 40 -6.888 -9.997 -2.741 300 HA LEU 40 HA LEU 40 -9.506 -10.904 -2.411 301 1HB LEU 40 1HB LEU 40 -7.623 -9.519 -0.459 302 2HB LEU 40 2HB LEU 40 -9.211 -10.092 0.048 303 HG LEU 40 HG LEU 40 -7.099 -11.926 -1.168 304 1HD1 LEU 40 1HD1 LEU 40 -6.317 -10.985 0.976 305 2HD1 LEU 40 2HD1 LEU 40 -6.697 -12.705 1.127 306 3HD1 LEU 40 3HD1 LEU 40 -7.832 -11.490 1.759 307 1HD2 LEU 40 1HD2 LEU 40 -8.491 -13.721 -0.189 308 2HD2 LEU 40 2HD2 LEU 40 -9.344 -12.827 -1.442 309 3HD2 LEU 40 3HD2 LEU 40 -9.714 -12.512 0.271 310 H PHE 41 H PHE 41 -8.151 -7.601 -2.360 311 HA PHE 41 HA PHE 41 -10.623 -6.252 -1.788 312 1HB PHE 41 1HB PHE 41 -8.096 -5.259 -3.142 313 2HB PHE 41 2HB PHE 41 -9.435 -4.244 -2.637 314 HD1 PHE 41 HD1 PHE 41 -9.138 -6.581 0.017 315 HD2 PHE 41 HD2 PHE 41 -7.134 -3.168 -1.718 316 HE1 PHE 41 HE1 PHE 41 -7.975 -6.195 2.134 317 HE2 PHE 41 HE2 PHE 41 -5.931 -2.840 0.401 318 HZ PHE 41 HZ PHE 41 -6.345 -4.332 2.342 319 H LEU 42 H LEU 42 -9.174 -7.415 -4.822 320 HA LEU 42 HA LEU 42 -11.130 -6.131 -6.543 321 1HB LEU 42 1HB LEU 42 -9.035 -8.262 -6.826 322 2HB LEU 42 2HB LEU 42 -10.358 -8.313 -7.961 323 HG LEU 42 HG LEU 42 -8.526 -7.153 -8.921 324 1HD1 LEU 42 1HD1 LEU 42 -10.672 -5.083 -8.368 325 2HD1 LEU 42 2HD1 LEU 42 -10.846 -6.449 -9.492 326 3HD1 LEU 42 3HD1 LEU 42 -9.612 -5.213 -9.778 327 1HD2 LEU 42 1HD2 LEU 42 -7.784 -4.896 -8.142 328 2HD2 LEU 42 2HD2 LEU 42 -7.306 -6.228 -7.096 329 3HD2 LEU 42 3HD2 LEU 42 -8.662 -5.174 -6.623 330 H SER 43 H SER 43 -10.929 -9.267 -4.902 331 HA SER 43 HA SER 43 -13.142 -10.511 -6.162 332 1HB SER 43 1HB SER 43 -11.382 -11.801 -5.171 333 2HB SER 43 2HB SER 43 -11.560 -11.016 -3.606 334 HG SER 43 HG SER 43 -13.346 -12.136 -3.165 335 H THR 44 H THR 44 -12.881 -9.483 -2.750 336 HA THR 44 HA THR 44 -15.749 -9.133 -2.565 337 HB THR 44 HB THR 44 -15.473 -10.941 -0.573 338 HG1 THR 44 HG1 THR 44 -13.991 -12.439 -0.966 339 1HG2 THR 44 1HG2 THR 44 -15.752 -11.813 -3.469 340 2HG2 THR 44 2HG2 THR 44 -17.049 -11.124 -2.467 341 3HG2 THR 44 3HG2 THR 44 -16.315 -12.681 -2.024 342 H LEU 45 H LEU 45 -12.616 -9.002 -1.021 343 HA LEU 45 HA LEU 45 -13.600 -7.574 1.361 344 1HB LEU 45 1HB LEU 45 -10.950 -8.484 0.275 345 2HB LEU 45 2HB LEU 45 -10.908 -7.003 1.167 346 HG LEU 45 HG LEU 45 -10.342 -8.906 2.538 347 1HD1 LEU 45 1HD1 LEU 45 -11.400 -6.900 3.561 348 2HD1 LEU 45 2HD1 LEU 45 -11.693 -8.391 4.470 349 3HD1 LEU 45 3HD1 LEU 45 -12.983 -7.706 3.468 350 1HD2 LEU 45 1HD2 LEU 45 -11.946 -10.611 3.193 351 2HD2 LEU 45 2HD2 LEU 45 -11.733 -10.625 1.433 352 3HD2 LEU 45 3HD2 LEU 45 -13.192 -9.902 2.146 353 H SER 46 H SER 46 -12.863 -5.199 1.734 354 HA SER 46 HA SER 46 -11.772 -3.834 -0.488 355 1HB SER 46 1HB SER 46 -13.377 -1.959 -0.180 356 2HB SER 46 2HB SER 46 -14.073 -3.420 -0.928 357 HG SER 46 HG SER 46 -15.003 -3.920 1.048 358 H PHE 47 H PHE 47 -11.221 -1.563 0.452 359 HA PHE 47 HA PHE 47 -9.755 -2.151 2.897 360 1HB PHE 47 1HB PHE 47 -8.919 -0.841 0.865 361 2HB PHE 47 2HB PHE 47 -9.853 0.514 1.457 362 HD1 PHE 47 HD1 PHE 47 -7.055 -1.822 2.228 363 HD2 PHE 47 HD2 PHE 47 -9.135 1.731 3.455 364 HE1 PHE 47 HE1 PHE 47 -5.220 -1.303 3.824 365 HE2 PHE 47 HE2 PHE 47 -7.300 2.266 5.046 366 HZ PHE 47 HZ PHE 47 -5.338 0.745 5.231 367 H VAL 48 H VAL 48 -12.234 0.227 2.018 368 HA VAL 48 HA VAL 48 -13.666 1.539 3.110 369 HB VAL 48 HB VAL 48 -13.300 -0.296 5.486 370 1HG1 VAL 48 1HG1 VAL 48 -14.258 1.845 6.216 371 2HG1 VAL 48 2HG1 VAL 48 -15.465 1.770 4.911 372 3HG1 VAL 48 3HG1 VAL 48 -15.487 0.584 6.233 373 1HG2 VAL 48 1HG2 VAL 48 -14.175 -1.479 3.501 374 2HG2 VAL 48 2HG2 VAL 48 -15.449 -1.268 4.699 375 3HG2 VAL 48 3HG2 VAL 48 -15.403 -0.214 3.268 376 H CYS 49 H CYS 49 -13.403 3.619 3.761 377 HA CYS 49 HA CYS 49 -10.782 4.413 4.746 378 1HB CYS 49 1HB CYS 49 -11.668 6.687 4.599 379 2HB CYS 49 2HB CYS 49 -11.970 5.800 3.119 380 HA PRO 50 HA PRO 50 -11.629 4.159 9.009 381 1HB PRO 50 1HB PRO 50 -10.335 6.322 10.153 382 2HB PRO 50 2HB PRO 50 -9.533 4.851 9.525 383 1HG PRO 50 1HG PRO 50 -9.939 7.501 8.109 384 2HG PRO 50 2HG PRO 50 -8.442 6.518 8.219 385 1HD PRO 50 1HD PRO 50 -10.026 6.399 6.034 386 2HD PRO 50 2HD PRO 50 -9.283 4.909 6.686 387 H TRP 51 H TRP 51 -12.566 7.217 7.472 388 HA TRP 51 HA TRP 51 -14.325 8.154 9.513 389 1HB TRP 51 1HB TRP 51 -13.667 9.569 7.637 390 2HB TRP 51 2HB TRP 51 -14.450 8.482 6.493 391 HD1 TRP 51 HD1 TRP 51 -15.366 10.848 9.405 392 HE1 TRP 51 HE1 TRP 51 -17.802 11.622 9.145 393 HE3 TRP 51 HE3 TRP 51 -16.637 8.194 5.214 394 HZ2 TRP 51 HZ2 TRP 51 -20.035 11.100 7.402 395 HZ3 TRP 51 HZ3 TRP 51 -18.932 8.336 4.291 396 HH2 TRP 51 HH2 TRP 51 -20.638 9.774 5.380 397 H CYS 52 H CYS 52 -15.018 6.082 6.594 398 HA CYS 52 HA CYS 52 -17.695 5.468 7.432 399 1HB CYS 52 1HB CYS 52 -15.768 4.099 5.532 400 2HB CYS 52 2HB CYS 52 -17.407 3.537 5.855 401 H ALA 53 H ALA 53 -14.521 3.843 8.070 402 HA ALA 53 HA ALA 53 -15.643 1.575 9.370 403 1HB ALA 53 1HB ALA 53 -13.215 1.863 8.761 404 2HB ALA 53 2HB ALA 53 -13.058 2.970 10.153 405 3HB ALA 53 3HB ALA 53 -13.492 1.277 10.414 406 H THR 54 H THR 54 -15.125 4.880 10.559 407 HA THR 54 HA THR 54 -15.850 4.257 13.305 408 HB THR 54 HB THR 54 -15.648 6.958 11.901 409 HG1 THR 54 HG1 THR 54 -13.692 5.912 11.651 410 1HG2 THR 54 1HG2 THR 54 -16.710 7.104 14.124 411 2HG2 THR 54 2HG2 THR 54 -15.081 7.799 14.156 412 3HG2 THR 54 3HG2 THR 54 -15.365 6.183 14.836 413 H ASN 55 H ASN 55 -17.526 5.702 10.476 414 HA ASN 55 HA ASN 55 -19.913 6.345 12.076 415 1HB ASN 55 1HB ASN 55 -19.247 6.703 9.120 416 2HB ASN 55 2HB ASN 55 -20.804 7.124 9.830 417 1HD2 ASN 55 1HD2 ASN 55 -17.285 7.796 10.175 418 2HD2 ASN 55 2HD2 ASN 55 -17.541 9.371 10.911 419 H GLN 56 H GLN 56 -18.866 3.801 10.099 420 HA GLN 56 HA GLN 56 -19.557 1.677 9.866 421 1HB GLN 56 1HB GLN 56 -21.245 2.112 11.735 422 2HB GLN 56 2HB GLN 56 -22.427 2.402 10.444 423 1HG GLN 56 1HG GLN 56 -22.054 0.105 9.587 424 2HG GLN 56 2HG GLN 56 -20.798 -0.160 10.804 425 1HE2 GLN 56 1HE2 GLN 56 -21.783 0.566 13.203 426 2HE2 GLN 56 2HE2 GLN 56 -23.305 -0.267 13.513 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 14.041 8.231 -7.291 2 1HA GLY 1 1HA GLY 1 14.095 11.147 -6.900 3 2HA GLY 1 2HA GLY 1 13.942 10.296 -8.455 4 H SER 2 H SER 2 11.888 11.803 -8.422 5 HA SER 2 HA SER 2 9.654 10.916 -6.808 6 1HB SER 2 1HB SER 2 9.841 13.210 -7.754 7 2HB SER 2 2HB SER 2 9.727 12.540 -9.391 8 HG SER 2 HG SER 2 7.756 12.490 -7.346 9 H HIS 3 H HIS 3 10.429 10.545 -10.334 10 HA HIS 3 HA HIS 3 8.574 8.345 -10.690 11 1HB HIS 3 1HB HIS 3 10.860 9.344 -12.437 12 2HB HIS 3 2HB HIS 3 9.622 8.185 -12.914 13 HD1 HIS 3 HD1 HIS 3 10.008 10.899 -14.502 14 HD2 HIS 3 HD2 HIS 3 7.251 10.214 -11.387 15 HE1 HIS 3 HE1 HIS 3 8.126 12.606 -14.785 16 H MET 4 H MET 4 9.300 7.073 -8.849 17 HA MET 4 HA MET 4 11.627 5.337 -9.498 18 1HB MET 4 1HB MET 4 12.179 7.287 -7.946 19 2HB MET 4 2HB MET 4 11.113 6.548 -6.755 20 1HG MET 4 1HG MET 4 12.976 5.509 -6.058 21 2HG MET 4 2HG MET 4 12.743 4.420 -7.421 22 1HE MET 4 1HE MET 4 13.703 6.077 -10.026 23 2HE MET 4 2HE MET 4 15.407 5.585 -9.995 24 3HE MET 4 3HE MET 4 14.143 4.409 -9.575 25 H ALA 5 H ALA 5 10.628 3.408 -9.828 26 HA ALA 5 HA ALA 5 8.732 2.327 -7.941 27 1HB ALA 5 1HB ALA 5 8.398 1.752 -10.328 28 2HB ALA 5 2HB ALA 5 10.078 1.170 -10.428 29 3HB ALA 5 3HB ALA 5 8.904 0.324 -9.401 30 H GLU 6 H GLU 6 9.540 1.084 -6.280 31 HA GLU 6 HA GLU 6 12.268 0.017 -6.372 32 1HB GLU 6 1HB GLU 6 11.045 1.671 -4.113 33 2HB GLU 6 2HB GLU 6 12.414 0.592 -3.868 34 1HG GLU 6 1HG GLU 6 13.766 1.845 -5.498 35 2HG GLU 6 2HG GLU 6 12.399 2.914 -5.830 36 HA PRO 7 HA PRO 7 9.853 -3.473 -4.718 37 1HB PRO 7 1HB PRO 7 11.595 -4.704 -3.008 38 2HB PRO 7 2HB PRO 7 11.778 -4.768 -4.787 39 1HG PRO 7 1HG PRO 7 13.161 -2.895 -2.840 40 2HG PRO 7 2HG PRO 7 13.904 -3.882 -4.140 41 1HD PRO 7 1HD PRO 7 13.305 -1.261 -4.508 42 2HD PRO 7 2HD PRO 7 13.074 -2.438 -5.827 43 H GLN 8 H GLN 8 9.134 -4.339 -2.491 44 HA GLN 8 HA GLN 8 7.723 -4.042 -0.980 45 1HB GLN 8 1HB GLN 8 9.800 -2.194 0.080 46 2HB GLN 8 2HB GLN 8 8.415 -2.895 0.977 47 1HG GLN 8 1HG GLN 8 10.783 -4.388 -0.203 48 2HG GLN 8 2HG GLN 8 10.439 -4.087 1.497 49 1HE2 GLN 8 1HE2 GLN 8 10.364 -6.586 -0.684 50 2HE2 GLN 8 2HE2 GLN 8 9.000 -7.463 0.024 51 H ARG 9 H ARG 9 8.876 -0.667 -1.453 52 HA ARG 9 HA ARG 9 6.551 0.621 -0.719 53 1HB ARG 9 1HB ARG 9 9.012 1.344 -0.841 54 2HB ARG 9 2HB ARG 9 8.717 1.708 -2.518 55 1HG ARG 9 1HG ARG 9 6.931 2.805 -0.512 56 2HG ARG 9 2HG ARG 9 8.512 3.524 -0.610 57 1HD ARG 9 1HD ARG 9 6.343 3.374 -2.716 58 2HD ARG 9 2HD ARG 9 6.965 4.828 -1.923 59 HE ARG 9 HE ARG 9 7.732 3.941 -4.368 60 1HH1 ARG 9 1HH1 ARG 9 9.904 4.189 -1.471 61 2HH1 ARG 9 2HH1 ARG 9 11.279 4.389 -2.570 62 1HH2 ARG 9 1HH2 ARG 9 9.678 4.504 -5.570 63 2HH2 ARG 9 2HH2 ARG 9 11.147 4.520 -4.572 64 H HIS 10 H HIS 10 4.782 -0.210 -1.705 65 HA HIS 10 HA HIS 10 4.461 0.221 -4.663 66 1HB HIS 10 1HB HIS 10 3.277 -1.989 -2.941 67 2HB HIS 10 2HB HIS 10 3.045 -1.764 -4.672 68 HD1 HIS 10 HD1 HIS 10 4.433 -4.391 -3.149 69 HD2 HIS 10 HD2 HIS 10 6.435 -1.242 -5.045 70 HE1 HIS 10 HE1 HIS 10 6.588 -5.338 -3.990 71 H LYS 11 H LYS 11 2.268 0.784 -5.362 72 HA LYS 11 HA LYS 11 0.658 2.049 -3.198 73 1HB LYS 11 1HB LYS 11 1.237 3.308 -5.896 74 2HB LYS 11 2HB LYS 11 0.306 3.971 -4.553 75 1HG LYS 11 1HG LYS 11 2.237 5.040 -4.054 76 2HG LYS 11 2HG LYS 11 2.611 3.548 -3.222 77 1HD LYS 11 1HD LYS 11 4.539 3.657 -4.395 78 2HD LYS 11 2HD LYS 11 3.613 2.934 -5.705 79 1HE LYS 11 1HE LYS 11 4.182 5.892 -5.230 80 2HE LYS 11 2HE LYS 11 4.900 4.880 -6.491 81 1HZ LYS 11 1HZ LYS 11 2.699 4.671 -7.468 82 2HZ LYS 11 2HZ LYS 11 3.129 6.255 -7.347 83 3HZ LYS 11 3HZ LYS 11 2.050 5.614 -6.284 84 H ILE 12 H ILE 12 -1.044 0.782 -3.073 85 HA ILE 12 HA ILE 12 -2.371 -0.163 -5.586 86 HB ILE 12 HB ILE 12 -2.473 -1.258 -2.753 87 1HG1 ILE 12 1HG1 ILE 12 -1.296 -2.609 -5.217 88 2HG1 ILE 12 2HG1 ILE 12 -0.328 -1.690 -4.063 89 1HG2 ILE 12 1HG2 ILE 12 -3.850 -3.093 -3.798 90 2HG2 ILE 12 2HG2 ILE 12 -4.645 -1.532 -3.900 91 3HG2 ILE 12 3HG2 ILE 12 -3.836 -2.191 -5.334 92 1HD1 ILE 12 1HD1 ILE 12 -0.152 -3.969 -3.405 93 2HD1 ILE 12 2HD1 ILE 12 -1.152 -3.155 -2.212 94 3HD1 ILE 12 3HD1 ILE 12 -1.902 -4.207 -3.447 95 H LEU 13 H LEU 13 -3.823 1.460 -6.080 96 HA LEU 13 HA LEU 13 -5.254 2.885 -4.038 97 1HB LEU 13 1HB LEU 13 -4.500 3.787 -6.252 98 2HB LEU 13 2HB LEU 13 -5.806 2.894 -7.023 99 HG LEU 13 HG LEU 13 -6.493 4.667 -4.650 100 1HD1 LEU 13 1HD1 LEU 13 -4.949 6.047 -5.867 101 2HD1 LEU 13 2HD1 LEU 13 -6.598 6.632 -6.164 102 3HD1 LEU 13 3HD1 LEU 13 -5.760 5.682 -7.411 103 1HD2 LEU 13 1HD2 LEU 13 -8.529 5.123 -5.962 104 2HD2 LEU 13 2HD2 LEU 13 -8.300 3.382 -5.794 105 3HD2 LEU 13 3HD2 LEU 13 -7.892 4.178 -7.325 106 H CYS 14 H CYS 14 -6.647 1.820 -2.846 107 HA CYS 14 HA CYS 14 -8.665 0.018 -4.078 108 1HB CYS 14 1HB CYS 14 -7.228 -0.785 -2.104 109 2HB CYS 14 2HB CYS 14 -8.032 0.452 -1.122 110 HG CYS 14 HG CYS 14 -9.332 -2.105 -2.813 111 H VAL 15 H VAL 15 -10.807 0.425 -2.485 112 HA VAL 15 HA VAL 15 -11.203 3.290 -2.128 113 HB VAL 15 HB VAL 15 -13.477 3.185 -3.138 114 1HG1 VAL 15 1HG1 VAL 15 -11.248 2.663 -5.142 115 2HG1 VAL 15 2HG1 VAL 15 -12.782 3.513 -5.430 116 3HG1 VAL 15 3HG1 VAL 15 -11.582 4.214 -4.337 117 1HG2 VAL 15 1HG2 VAL 15 -12.557 0.578 -4.428 118 2HG2 VAL 15 2HG2 VAL 15 -13.808 0.724 -3.171 119 3HG2 VAL 15 3HG2 VAL 15 -14.058 1.463 -4.758 120 H CYS 16 H CYS 16 -12.952 3.799 -0.785 121 HA CYS 16 HA CYS 16 -13.626 1.847 1.308 122 1HB CYS 16 1HB CYS 16 -13.425 4.361 1.753 123 2HB CYS 16 2HB CYS 16 -14.783 4.591 0.658 124 H CYS 17 H CYS 17 -14.819 0.195 0.280 125 HA CYS 17 HA CYS 17 -16.439 0.444 -1.944 126 1HB CYS 17 1HB CYS 17 -15.459 -1.612 -1.006 127 2HB CYS 17 2HB CYS 17 -16.684 -1.627 0.277 128 HG CYS 17 HG CYS 17 -17.145 -3.467 -1.561 129 H LYS 18 H LYS 18 -17.401 1.642 1.194 130 HA LYS 18 HA LYS 18 -20.257 1.490 0.443 131 1HB LYS 18 1HB LYS 18 -20.663 2.285 2.742 132 2HB LYS 18 2HB LYS 18 -19.950 0.676 2.597 133 1HG LYS 18 1HG LYS 18 -17.804 1.468 3.344 134 2HG LYS 18 2HG LYS 18 -18.322 3.156 3.236 135 1HD LYS 18 1HD LYS 18 -18.283 2.328 5.570 136 2HD LYS 18 2HD LYS 18 -19.890 2.867 5.073 137 1HE LYS 18 1HE LYS 18 -20.571 0.520 4.743 138 2HE LYS 18 2HE LYS 18 -18.942 -0.036 5.174 139 1HZ LYS 18 1HZ LYS 18 -20.674 1.570 6.962 140 2HZ LYS 18 2HZ LYS 18 -19.273 0.864 7.371 141 3HZ LYS 18 3HZ LYS 18 -20.593 -0.076 7.029 142 H CYS 19 H CYS 19 -17.588 3.897 0.416 143 HA CYS 19 HA CYS 19 -19.668 5.839 -0.375 144 1HB CYS 19 1HB CYS 19 -18.453 7.475 0.687 145 2HB CYS 19 2HB CYS 19 -18.669 6.195 1.869 146 H ASP 20 H ASP 20 -17.261 3.940 -1.612 147 HA ASP 20 HA ASP 20 -15.859 3.879 -3.257 148 1HB ASP 20 1HB ASP 20 -17.972 4.377 -4.504 149 2HB ASP 20 2HB ASP 20 -17.450 6.060 -4.594 150 H GLY 21 H GLY 21 -15.362 5.784 -1.033 151 1HA GLY 21 1HA GLY 21 -13.897 8.033 -2.099 152 2HA GLY 21 2HA GLY 21 -13.760 7.434 -0.442 153 H ARG 22 H ARG 22 -11.779 8.286 -2.349 154 HA ARG 22 HA ARG 22 -10.297 6.110 -3.517 155 1HB ARG 22 1HB ARG 22 -10.360 8.372 -4.426 156 2HB ARG 22 2HB ARG 22 -9.667 9.048 -2.959 157 1HG ARG 22 1HG ARG 22 -7.969 6.972 -4.254 158 2HG ARG 22 2HG ARG 22 -8.320 8.373 -5.271 159 1HD ARG 22 1HD ARG 22 -7.561 9.854 -3.334 160 2HD ARG 22 2HD ARG 22 -6.962 8.377 -2.557 161 HE ARG 22 HE ARG 22 -6.103 8.861 -5.325 162 1HH1 ARG 22 1HH1 ARG 22 -5.101 9.424 -1.897 163 2HH1 ARG 22 2HH1 ARG 22 -3.405 9.172 -2.361 164 1HH2 ARG 22 1HH2 ARG 22 -3.758 8.801 -5.718 165 2HH2 ARG 22 2HH2 ARG 22 -2.750 8.865 -4.264 166 H ILE 23 H ILE 23 -9.006 4.632 -2.364 167 HA ILE 23 HA ILE 23 -7.530 5.748 -0.048 168 HB ILE 23 HB ILE 23 -8.567 2.904 -0.136 169 1HG1 ILE 23 1HG1 ILE 23 -9.763 5.300 1.342 170 2HG1 ILE 23 2HG1 ILE 23 -10.511 4.420 0.006 171 1HG2 ILE 23 1HG2 ILE 23 -6.474 3.571 1.207 172 2HG2 ILE 23 2HG2 ILE 23 -7.518 4.617 2.172 173 3HG2 ILE 23 3HG2 ILE 23 -7.769 2.854 2.155 174 1HD1 ILE 23 1HD1 ILE 23 -10.560 2.355 1.348 175 2HD1 ILE 23 2HD1 ILE 23 -9.913 3.277 2.741 176 3HD1 ILE 23 3HD1 ILE 23 -11.489 3.665 2.069 177 H GLU 24 H GLU 24 -5.735 6.160 -1.188 178 HA GLU 24 HA GLU 24 -4.296 4.282 -2.862 179 1HB GLU 24 1HB GLU 24 -4.114 6.667 -3.086 180 2HB GLU 24 2HB GLU 24 -3.580 6.836 -1.406 181 1HG GLU 24 1HG GLU 24 -1.604 5.243 -2.250 182 2HG GLU 24 2HG GLU 24 -2.077 5.859 -3.833 183 H LEU 25 H LEU 25 -3.894 2.309 -1.802 184 HA LEU 25 HA LEU 25 -2.684 2.324 0.868 185 1HB LEU 25 1HB LEU 25 -2.856 -0.041 -1.004 186 2HB LEU 25 2HB LEU 25 -2.680 -0.035 0.735 187 HG LEU 25 HG LEU 25 -5.179 0.801 -0.815 188 1HD1 LEU 25 1HD1 LEU 25 -4.584 -1.691 0.826 189 2HD1 LEU 25 2HD1 LEU 25 -4.737 -1.601 -0.944 190 3HD1 LEU 25 3HD1 LEU 25 -6.144 -1.271 0.081 191 1HD2 LEU 25 1HD2 LEU 25 -4.906 2.007 1.369 192 2HD2 LEU 25 2HD2 LEU 25 -4.778 0.448 2.193 193 3HD2 LEU 25 3HD2 LEU 25 -6.283 0.904 1.355 194 H THR 26 H THR 26 -1.098 3.911 0.068 195 HA THR 26 HA THR 26 1.263 2.809 -1.303 196 HB THR 26 HB THR 26 0.850 5.333 0.333 197 HG1 THR 26 HG1 THR 26 0.529 6.123 -1.675 198 1HG2 THR 26 1HG2 THR 26 3.403 4.231 -0.978 199 2HG2 THR 26 2HG2 THR 26 3.175 4.551 0.751 200 3HG2 THR 26 3HG2 THR 26 3.199 5.896 -0.396 201 H VAL 27 H VAL 27 1.957 0.983 -0.461 202 HA VAL 27 HA VAL 27 2.407 0.776 2.476 203 HB VAL 27 HB VAL 27 1.888 -1.639 2.261 204 1HG1 VAL 27 1HG1 VAL 27 0.175 -0.062 3.072 205 2HG1 VAL 27 2HG1 VAL 27 -0.428 0.139 1.417 206 3HG1 VAL 27 3HG1 VAL 27 -0.542 -1.441 2.218 207 1HG2 VAL 27 1HG2 VAL 27 2.270 -1.954 -0.175 208 2HG2 VAL 27 2HG2 VAL 27 0.682 -2.542 0.335 209 3HG2 VAL 27 3HG2 VAL 27 0.816 -0.999 -0.527 210 H GLU 28 H GLU 28 4.078 -1.062 2.892 211 HA GLU 28 HA GLU 28 6.014 -1.275 0.688 212 1HB GLU 28 1HB GLU 28 6.505 -0.456 3.486 213 2HB GLU 28 2HB GLU 28 7.692 -1.526 2.723 214 1HG GLU 28 1HG GLU 28 8.057 0.026 0.955 215 2HG GLU 28 2HG GLU 28 6.703 1.056 1.460 216 H SER 29 H SER 29 5.441 -3.301 -0.066 217 HA SER 29 HA SER 29 5.744 -5.507 1.810 218 1HB SER 29 1HB SER 29 3.225 -4.779 1.874 219 2HB SER 29 2HB SER 29 3.151 -5.490 0.252 220 HG SER 29 HG SER 29 2.626 -7.090 1.729 221 H SER 30 H SER 30 5.866 -7.535 0.702 222 HA SER 30 HA SER 30 7.350 -7.336 -1.756 223 1HB SER 30 1HB SER 30 6.218 -9.756 -0.262 224 2HB SER 30 2HB SER 30 7.396 -9.851 -1.585 225 HG SER 30 HG SER 30 8.222 -9.821 0.659 226 H ALA 31 H ALA 31 6.946 -8.575 -3.711 227 HA ALA 31 HA ALA 31 4.711 -7.758 -5.099 228 1HB ALA 31 1HB ALA 31 6.433 -10.236 -5.602 229 2HB ALA 31 2HB ALA 31 5.398 -9.439 -6.795 230 3HB ALA 31 3HB ALA 31 6.813 -8.581 -6.142 231 H GLU 32 H GLU 32 5.180 -10.916 -3.482 232 HA GLU 32 HA GLU 32 2.872 -12.095 -4.633 233 1HB GLU 32 1HB GLU 32 5.110 -13.009 -3.429 234 2HB GLU 32 2HB GLU 32 4.012 -13.106 -2.042 235 1HG GLU 32 1HG GLU 32 2.413 -14.388 -3.524 236 2HG GLU 32 2HG GLU 32 3.607 -14.335 -4.816 237 H ASP 33 H ASP 33 3.413 -10.409 -1.535 238 HA ASP 33 HA ASP 33 0.784 -10.874 -0.467 239 1HB ASP 33 1HB ASP 33 2.593 -10.330 1.032 240 2HB ASP 33 2HB ASP 33 2.939 -8.838 0.148 241 H LEU 34 H LEU 34 2.395 -8.217 -2.303 242 HA LEU 34 HA LEU 34 0.110 -6.549 -2.629 243 1HB LEU 34 1HB LEU 34 2.130 -5.659 -3.307 244 2HB LEU 34 2HB LEU 34 2.583 -7.022 -4.298 245 HG LEU 34 HG LEU 34 0.118 -5.482 -5.153 246 1HD1 LEU 34 1HD1 LEU 34 1.785 -3.723 -4.563 247 2HD1 LEU 34 2HD1 LEU 34 1.464 -3.793 -6.299 248 3HD1 LEU 34 3HD1 LEU 34 2.964 -4.489 -5.646 249 1HD2 LEU 34 1HD2 LEU 34 2.467 -6.773 -6.643 250 2HD2 LEU 34 2HD2 LEU 34 1.142 -5.895 -7.425 251 3HD2 LEU 34 3HD2 LEU 34 0.809 -7.389 -6.558 252 H ARG 35 H ARG 35 1.122 -9.379 -4.554 253 HA ARG 35 HA ARG 35 -1.031 -9.264 -6.392 254 1HB ARG 35 1HB ARG 35 1.221 -10.787 -6.265 255 2HB ARG 35 2HB ARG 35 0.107 -11.946 -5.580 256 1HG ARG 35 1HG ARG 35 0.169 -12.390 -7.907 257 2HG ARG 35 2HG ARG 35 -1.343 -11.512 -7.675 258 1HD ARG 35 1HD ARG 35 0.795 -9.599 -8.159 259 2HD ARG 35 2HD ARG 35 0.916 -10.861 -9.369 260 HE ARG 35 HE ARG 35 -1.234 -8.874 -9.013 261 1HH1 ARG 35 1HH1 ARG 35 -0.284 -11.782 -10.804 262 2HH1 ARG 35 2HH1 ARG 35 -1.439 -11.521 -12.070 263 1HH2 ARG 35 1HH2 ARG 35 -2.667 -8.536 -10.520 264 2HH2 ARG 35 2HH2 ARG 35 -2.886 -9.571 -11.923 265 H THR 36 H THR 36 -0.688 -11.115 -3.377 266 HA THR 36 HA THR 36 -3.220 -12.376 -3.414 267 HB THR 36 HB THR 36 -1.550 -11.484 -1.017 268 HG1 THR 36 HG1 THR 36 -0.219 -12.682 -2.356 269 1HG2 THR 36 1HG2 THR 36 -3.763 -12.357 -0.350 270 2HG2 THR 36 2HG2 THR 36 -2.482 -13.496 0.087 271 3HG2 THR 36 3HG2 THR 36 -3.497 -13.814 -1.337 272 H LEU 37 H LEU 37 -2.222 -9.137 -2.061 273 HA LEU 37 HA LEU 37 -4.841 -8.901 -0.820 274 1HB LEU 37 1HB LEU 37 -4.026 -7.151 0.369 275 2HB LEU 37 2HB LEU 37 -2.584 -8.093 0.109 276 HG LEU 37 HG LEU 37 -2.268 -6.417 -1.978 277 1HD1 LEU 37 1HD1 LEU 37 -3.061 -4.117 -1.326 278 2HD1 LEU 37 2HD1 LEU 37 -3.979 -4.826 0.003 279 3HD1 LEU 37 3HD1 LEU 37 -4.415 -5.190 -1.673 280 1HD2 LEU 37 1HD2 LEU 37 -1.701 -5.641 0.909 281 2HD2 LEU 37 2HD2 LEU 37 -0.896 -4.978 -0.532 282 3HD2 LEU 37 3HD2 LEU 37 -0.693 -6.682 -0.107 283 H GLN 38 H GLN 38 -3.189 -7.749 -3.839 284 HA GLN 38 HA GLN 38 -5.288 -5.883 -4.391 285 1HB GLN 38 1HB GLN 38 -4.363 -5.547 -6.431 286 2HB GLN 38 2HB GLN 38 -2.992 -5.922 -5.388 287 1HG GLN 38 1HG GLN 38 -2.894 -8.182 -6.343 288 2HG GLN 38 2HG GLN 38 -4.303 -7.879 -7.348 289 1HE2 GLN 38 1HE2 GLN 38 -1.677 -5.472 -6.844 290 2HE2 GLN 38 2HE2 GLN 38 -1.117 -5.558 -8.507 291 H GLN 39 H GLN 39 -4.833 -9.435 -4.877 292 HA GLN 39 HA GLN 39 -7.097 -9.788 -6.556 293 1HB GLN 39 1HB GLN 39 -5.417 -11.570 -4.886 294 2HB GLN 39 2HB GLN 39 -6.901 -12.180 -5.679 295 1HG GLN 39 1HG GLN 39 -6.227 -11.267 -7.826 296 2HG GLN 39 2HG GLN 39 -4.834 -10.451 -7.121 297 1HE2 GLN 39 1HE2 GLN 39 -3.598 -11.394 -8.752 298 2HE2 GLN 39 2HE2 GLN 39 -3.170 -13.089 -8.539 299 H LEU 40 H LEU 40 -6.684 -10.200 -2.961 300 HA LEU 40 HA LEU 40 -9.411 -10.887 -2.462 301 1HB LEU 40 1HB LEU 40 -7.400 -9.502 -0.636 302 2HB LEU 40 2HB LEU 40 -8.953 -10.129 -0.109 303 HG LEU 40 HG LEU 40 -6.736 -11.851 -1.302 304 1HD1 LEU 40 1HD1 LEU 40 -7.649 -11.499 1.582 305 2HD1 LEU 40 2HD1 LEU 40 -6.123 -10.908 0.886 306 3HD1 LEU 40 3HD1 LEU 40 -6.421 -12.647 1.002 307 1HD2 LEU 40 1HD2 LEU 40 -8.089 -13.739 -0.426 308 2HD2 LEU 40 2HD2 LEU 40 -8.883 -12.879 -1.740 309 3HD2 LEU 40 3HD2 LEU 40 -9.407 -12.601 -0.061 310 H PHE 41 H PHE 41 -7.829 -7.675 -2.587 311 HA PHE 41 HA PHE 41 -10.307 -6.366 -1.764 312 1HB PHE 41 1HB PHE 41 -7.541 -5.342 -2.436 313 2HB PHE 41 2HB PHE 41 -8.901 -4.287 -2.165 314 HD1 PHE 41 HD1 PHE 41 -9.462 -3.550 -0.017 315 HD2 PHE 41 HD2 PHE 41 -7.001 -7.066 -0.367 316 HE1 PHE 41 HE1 PHE 41 -9.018 -3.524 2.427 317 HE2 PHE 41 HE2 PHE 41 -6.477 -6.952 2.015 318 HZ PHE 41 HZ PHE 41 -7.490 -5.179 3.436 319 H LEU 42 H LEU 42 -8.946 -7.379 -4.835 320 HA LEU 42 HA LEU 42 -10.873 -5.677 -6.308 321 1HB LEU 42 1HB LEU 42 -9.012 -7.961 -7.035 322 2HB LEU 42 2HB LEU 42 -10.257 -7.427 -8.150 323 HG LEU 42 HG LEU 42 -8.191 -5.490 -7.027 324 1HD1 LEU 42 1HD1 LEU 42 -7.040 -7.305 -8.254 325 2HD1 LEU 42 2HD1 LEU 42 -6.968 -5.779 -9.147 326 3HD1 LEU 42 3HD1 LEU 42 -8.108 -7.050 -9.651 327 1HD2 LEU 42 1HD2 LEU 42 -10.020 -5.353 -9.467 328 2HD2 LEU 42 2HD2 LEU 42 -8.804 -4.141 -9.005 329 3HD2 LEU 42 3HD2 LEU 42 -10.205 -4.418 -7.970 330 H SER 43 H SER 43 -10.660 -8.973 -4.970 331 HA SER 43 HA SER 43 -12.931 -10.069 -6.241 332 1HB SER 43 1HB SER 43 -11.268 -11.476 -5.191 333 2HB SER 43 2HB SER 43 -11.463 -10.677 -3.641 334 HG SER 43 HG SER 43 -13.276 -12.422 -4.913 335 H THR 44 H THR 44 -12.650 -9.018 -2.837 336 HA THR 44 HA THR 44 -15.491 -8.486 -2.686 337 HB THR 44 HB THR 44 -15.349 -10.241 -0.658 338 HG1 THR 44 HG1 THR 44 -13.547 -11.421 -2.528 339 1HG2 THR 44 1HG2 THR 44 -16.251 -12.001 -2.036 340 2HG2 THR 44 2HG2 THR 44 -15.636 -11.233 -3.514 341 3HG2 THR 44 3HG2 THR 44 -16.906 -10.436 -2.561 342 H LEU 45 H LEU 45 -12.359 -8.612 -1.025 343 HA LEU 45 HA LEU 45 -13.360 -7.332 1.372 344 1HB LEU 45 1HB LEU 45 -11.424 -8.936 1.188 345 2HB LEU 45 2HB LEU 45 -10.510 -7.688 0.346 346 HG LEU 45 HG LEU 45 -10.438 -6.308 2.339 347 1HD1 LEU 45 1HD1 LEU 45 -12.619 -6.737 3.384 348 2HD1 LEU 45 2HD1 LEU 45 -11.331 -7.128 4.520 349 3HD1 LEU 45 3HD1 LEU 45 -12.177 -8.438 3.665 350 1HD2 LEU 45 1HD2 LEU 45 -9.857 -9.214 3.095 351 2HD2 LEU 45 2HD2 LEU 45 -9.063 -7.759 3.736 352 3HD2 LEU 45 3HD2 LEU 45 -8.824 -8.235 2.046 353 H SER 46 H SER 46 -12.646 -5.031 2.099 354 HA SER 46 HA SER 46 -11.632 -3.317 0.014 355 1HB SER 46 1HB SER 46 -13.425 -1.687 0.386 356 2HB SER 46 2HB SER 46 -13.977 -3.191 -0.383 357 HG SER 46 HG SER 46 -14.821 -3.836 1.587 358 H PHE 47 H PHE 47 -11.305 -1.109 1.034 359 HA PHE 47 HA PHE 47 -10.014 -1.613 3.677 360 1HB PHE 47 1HB PHE 47 -8.873 -0.858 1.346 361 2HB PHE 47 2HB PHE 47 -9.197 0.716 2.002 362 HD1 PHE 47 HD1 PHE 47 -8.209 1.347 4.324 363 HD2 PHE 47 HD2 PHE 47 -7.058 -2.224 2.189 364 HE1 PHE 47 HE1 PHE 47 -6.233 1.104 5.777 365 HE2 PHE 47 HE2 PHE 47 -5.096 -2.468 3.661 366 HZ PHE 47 HZ PHE 47 -4.671 -0.805 5.463 367 H VAL 48 H VAL 48 -12.782 -0.965 3.519 368 HA VAL 48 HA VAL 48 -13.842 1.374 3.452 369 HB VAL 48 HB VAL 48 -15.175 -0.427 4.047 370 1HG1 VAL 48 1HG1 VAL 48 -13.766 -0.657 6.734 371 2HG1 VAL 48 2HG1 VAL 48 -15.198 -1.578 6.233 372 3HG1 VAL 48 3HG1 VAL 48 -13.668 -1.809 5.386 373 1HG2 VAL 48 1HG2 VAL 48 -15.994 1.772 4.886 374 2HG2 VAL 48 2HG2 VAL 48 -16.618 0.387 5.803 375 3HG2 VAL 48 3HG2 VAL 48 -15.326 1.392 6.484 376 H CYS 49 H CYS 49 -13.266 3.348 3.891 377 HA CYS 49 HA CYS 49 -10.980 3.846 5.343 378 1HB CYS 49 1HB CYS 49 -11.533 6.271 5.009 379 2HB CYS 49 2HB CYS 49 -11.619 5.302 3.556 380 HA PRO 50 HA PRO 50 -12.101 4.065 9.505 381 1HB PRO 50 1HB PRO 50 -10.519 6.077 10.592 382 2HB PRO 50 2HB PRO 50 -9.968 4.431 10.160 383 1HG PRO 50 1HG PRO 50 -9.763 6.964 8.511 384 2HG PRO 50 2HG PRO 50 -8.497 5.729 8.810 385 1HD PRO 50 1HD PRO 50 -9.930 5.722 6.521 386 2HD PRO 50 2HD PRO 50 -9.546 4.179 7.340 387 H TRP 51 H TRP 51 -12.386 7.119 7.733 388 HA TRP 51 HA TRP 51 -14.104 8.455 9.584 389 1HB TRP 51 1HB TRP 51 -13.025 9.608 7.695 390 2HB TRP 51 2HB TRP 51 -13.992 8.671 6.555 391 HD1 TRP 51 HD1 TRP 51 -14.349 11.414 9.231 392 HE1 TRP 51 HE1 TRP 51 -16.603 12.624 8.943 393 HE3 TRP 51 HE3 TRP 51 -16.317 8.618 5.429 394 HZ2 TRP 51 HZ2 TRP 51 -18.980 12.356 7.350 395 HZ3 TRP 51 HZ3 TRP 51 -18.593 9.092 4.566 396 HH2 TRP 51 HH2 TRP 51 -19.934 10.950 5.527 397 H CYS 52 H CYS 52 -14.904 6.342 6.703 398 HA CYS 52 HA CYS 52 -17.720 6.329 7.313 399 1HB CYS 52 1HB CYS 52 -16.010 4.453 5.623 400 2HB CYS 52 2HB CYS 52 -17.753 4.325 5.853 401 H ALA 53 H ALA 53 -14.993 4.172 8.252 402 HA ALA 53 HA ALA 53 -16.593 2.215 9.555 403 1HB ALA 53 1HB ALA 53 -14.594 1.586 10.762 404 2HB ALA 53 2HB ALA 53 -14.133 2.004 9.098 405 3HB ALA 53 3HB ALA 53 -13.837 3.150 10.434 406 H THR 54 H THR 54 -15.519 5.415 10.682 407 HA THR 54 HA THR 54 -16.542 5.054 13.381 408 HB THR 54 HB THR 54 -15.711 7.602 11.922 409 HG1 THR 54 HG1 THR 54 -13.983 6.224 11.881 410 1HG2 THR 54 1HG2 THR 54 -16.907 8.064 14.033 411 2HG2 THR 54 2HG2 THR 54 -15.181 8.429 14.194 412 3HG2 THR 54 3HG2 THR 54 -15.837 6.934 14.896 413 H ASN 55 H ASN 55 -17.667 6.779 10.429 414 HA ASN 55 HA ASN 55 -19.947 7.947 11.851 415 1HB ASN 55 1HB ASN 55 -19.054 8.065 8.934 416 2HB ASN 55 2HB ASN 55 -20.508 8.850 9.541 417 1HD2 ASN 55 1HD2 ASN 55 -16.960 8.736 10.024 418 2HD2 ASN 55 2HD2 ASN 55 -16.875 10.370 10.674 419 H GLN 56 H GLN 56 -19.408 5.252 9.781 420 HA GLN 56 HA GLN 56 -20.496 3.263 9.867 421 1HB GLN 56 1HB GLN 56 -22.285 4.168 11.330 422 2HB GLN 56 2HB GLN 56 -23.139 4.723 9.869 423 1HG GLN 56 1HG GLN 56 -23.386 2.421 9.087 424 2HG GLN 56 2HG GLN 56 -22.338 1.818 10.377 425 1HE2 GLN 56 1HE2 GLN 56 -23.220 2.694 12.728 426 2HE2 GLN 56 2HE2 GLN 56 -24.935 2.340 12.925 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 14.861 13.836 4.216 2 1HA GLY 1 1HA GLY 1 13.873 13.722 2.029 3 2HA GLY 1 2HA GLY 1 14.894 12.306 2.368 4 H SER 2 H SER 2 13.186 11.711 0.415 5 HA SER 2 HA SER 2 11.723 9.561 1.459 6 1HB SER 2 1HB SER 2 10.141 11.908 0.294 7 2HB SER 2 2HB SER 2 9.513 10.251 0.383 8 HG SER 2 HG SER 2 10.598 11.359 2.722 9 H HIS 3 H HIS 3 10.751 8.380 -0.581 10 HA HIS 3 HA HIS 3 11.927 9.252 -3.110 11 1HB HIS 3 1HB HIS 3 12.139 6.349 -2.470 12 2HB HIS 3 2HB HIS 3 13.092 7.303 -3.580 13 HD1 HIS 3 HD1 HIS 3 13.555 5.340 -0.716 14 HD2 HIS 3 HD2 HIS 3 14.795 9.206 -1.883 15 HE1 HIS 3 HE1 HIS 3 15.612 5.953 0.737 16 H MET 4 H MET 4 11.105 7.283 -4.733 17 HA MET 4 HA MET 4 8.726 5.978 -3.990 18 1HB MET 4 1HB MET 4 7.894 8.294 -4.747 19 2HB MET 4 2HB MET 4 8.538 7.920 -6.349 20 1HG MET 4 1HG MET 4 6.965 6.054 -6.567 21 2HG MET 4 2HG MET 4 6.489 6.219 -4.873 22 1HE MET 4 1HE MET 4 6.290 7.694 -8.498 23 2HE MET 4 2HE MET 4 5.323 9.168 -8.264 24 3HE MET 4 3HE MET 4 6.981 9.091 -7.637 25 H ALA 5 H ALA 5 8.172 4.568 -6.065 26 HA ALA 5 HA ALA 5 8.804 2.924 -7.436 27 1HB ALA 5 1HB ALA 5 9.206 4.730 -9.051 28 2HB ALA 5 2HB ALA 5 10.895 4.847 -8.504 29 3HB ALA 5 3HB ALA 5 10.319 3.364 -9.280 30 H GLU 6 H GLU 6 9.329 1.903 -5.361 31 HA GLU 6 HA GLU 6 12.166 1.119 -5.103 32 1HB GLU 6 1HB GLU 6 10.169 1.979 -2.958 33 2HB GLU 6 2HB GLU 6 11.682 1.165 -2.586 34 1HG GLU 6 1HG GLU 6 12.999 3.015 -3.358 35 2HG GLU 6 2HG GLU 6 11.581 3.837 -4.013 36 HA PRO 7 HA PRO 7 9.902 -2.862 -4.191 37 1HB PRO 7 1HB PRO 7 11.617 -4.062 -2.467 38 2HB PRO 7 2HB PRO 7 11.992 -3.940 -4.214 39 1HG PRO 7 1HG PRO 7 12.980 -2.162 -1.964 40 2HG PRO 7 2HG PRO 7 13.938 -2.920 -3.275 41 1HD PRO 7 1HD PRO 7 13.046 -0.328 -3.372 42 2HD PRO 7 2HD PRO 7 13.202 -1.311 -4.848 43 H GLN 8 H GLN 8 9.031 -3.790 -2.092 44 HA GLN 8 HA GLN 8 7.713 -3.522 -0.367 45 1HB GLN 8 1HB GLN 8 10.209 -2.399 0.463 46 2HB GLN 8 2HB GLN 8 8.870 -1.569 1.251 47 1HG GLN 8 1HG GLN 8 9.579 -3.400 2.630 48 2HG GLN 8 2HG GLN 8 7.988 -3.791 2.006 49 1HE2 GLN 8 1HE2 GLN 8 7.985 -5.319 -0.054 50 2HE2 GLN 8 2HE2 GLN 8 9.084 -6.660 0.164 51 H ARG 9 H ARG 9 8.618 -0.121 -0.712 52 HA ARG 9 HA ARG 9 6.120 0.913 -0.034 53 1HB ARG 9 1HB ARG 9 8.368 2.066 -0.132 54 2HB ARG 9 2HB ARG 9 8.125 2.275 -1.864 55 1HG ARG 9 1HG ARG 9 7.069 4.184 -1.343 56 2HG ARG 9 2HG ARG 9 5.763 3.179 -0.685 57 1HD ARG 9 1HD ARG 9 6.725 3.212 1.510 58 2HD ARG 9 2HD ARG 9 8.153 4.105 0.944 59 HE ARG 9 HE ARG 9 6.382 5.846 0.228 60 1HH1 ARG 9 1HH1 ARG 9 6.426 4.055 3.366 61 2HH1 ARG 9 2HH1 ARG 9 5.451 5.224 4.164 62 1HH2 ARG 9 1HH2 ARG 9 5.136 7.398 1.362 63 2HH2 ARG 9 2HH2 ARG 9 4.754 7.171 3.032 64 H HIS 10 H HIS 10 4.289 0.224 -0.989 65 HA HIS 10 HA HIS 10 3.944 0.701 -3.937 66 1HB HIS 10 1HB HIS 10 2.724 -1.553 -2.301 67 2HB HIS 10 2HB HIS 10 2.475 -1.249 -4.014 68 HD1 HIS 10 HD1 HIS 10 3.789 -3.938 -2.551 69 HD2 HIS 10 HD2 HIS 10 5.732 -0.898 -4.713 70 HE1 HIS 10 HE1 HIS 10 5.887 -4.971 -3.534 71 H LYS 11 H LYS 11 2.077 1.892 -4.462 72 HA LYS 11 HA LYS 11 0.141 2.442 -2.265 73 1HB LYS 11 1HB LYS 11 0.714 4.061 -4.770 74 2HB LYS 11 2HB LYS 11 -0.483 4.409 -3.540 75 1HG LYS 11 1HG LYS 11 1.063 5.638 -2.455 76 2HG LYS 11 2HG LYS 11 1.830 4.122 -2.018 77 1HD LYS 11 1HD LYS 11 3.628 5.117 -2.983 78 2HD LYS 11 2HD LYS 11 2.977 4.394 -4.447 79 1HE LYS 11 1HE LYS 11 2.632 7.239 -3.432 80 2HE LYS 11 2HE LYS 11 3.610 6.733 -4.815 81 1HZ LYS 11 1HZ LYS 11 1.416 6.018 -5.817 82 2HZ LYS 11 2HZ LYS 11 1.620 7.645 -5.631 83 3HZ LYS 11 3HZ LYS 11 0.659 6.856 -4.598 84 H ILE 12 H ILE 12 -1.352 0.834 -2.414 85 HA ILE 12 HA ILE 12 -2.355 0.052 -5.098 86 HB ILE 12 HB ILE 12 -2.829 -1.213 -2.381 87 1HG1 ILE 12 1HG1 ILE 12 -1.086 -2.200 -4.687 88 2HG1 ILE 12 2HG1 ILE 12 -0.453 -1.370 -3.266 89 1HG2 ILE 12 1HG2 ILE 12 -3.830 -3.074 -3.661 90 2HG2 ILE 12 2HG2 ILE 12 -4.715 -1.585 -3.952 91 3HG2 ILE 12 3HG2 ILE 12 -3.577 -2.184 -5.178 92 1HD1 ILE 12 1HD1 ILE 12 -0.141 -3.683 -2.867 93 2HD1 ILE 12 2HD1 ILE 12 -1.442 -3.138 -1.805 94 3HD1 ILE 12 3HD1 ILE 12 -1.813 -4.073 -3.284 95 H LEU 13 H LEU 13 -3.753 1.514 -5.780 96 HA LEU 13 HA LEU 13 -5.421 3.184 -4.193 97 1HB LEU 13 1HB LEU 13 -4.388 3.491 -6.617 98 2HB LEU 13 2HB LEU 13 -5.846 2.694 -7.160 99 HG LEU 13 HG LEU 13 -6.143 5.098 -7.310 100 1HD1 LEU 13 1HD1 LEU 13 -8.136 5.468 -6.190 101 2HD1 LEU 13 2HD1 LEU 13 -7.744 4.320 -4.880 102 3HD1 LEU 13 3HD1 LEU 13 -8.096 3.736 -6.522 103 1HD2 LEU 13 1HD2 LEU 13 -4.336 5.579 -5.579 104 2HD2 LEU 13 2HD2 LEU 13 -5.622 5.435 -4.360 105 3HD2 LEU 13 3HD2 LEU 13 -5.720 6.655 -5.654 106 H CYS 14 H CYS 14 -6.947 2.236 -2.963 107 HA CYS 14 HA CYS 14 -8.842 0.300 -4.183 108 1HB CYS 14 1HB CYS 14 -7.381 -0.422 -2.239 109 2HB CYS 14 2HB CYS 14 -8.203 0.791 -1.240 110 HG CYS 14 HG CYS 14 -9.138 -1.547 -0.638 111 H VAL 15 H VAL 15 -11.026 0.579 -2.521 112 HA VAL 15 HA VAL 15 -11.667 3.435 -2.270 113 HB VAL 15 HB VAL 15 -13.932 3.046 -3.212 114 1HG1 VAL 15 1HG1 VAL 15 -12.211 4.202 -4.532 115 2HG1 VAL 15 2HG1 VAL 15 -11.685 2.651 -5.229 116 3HG1 VAL 15 3HG1 VAL 15 -13.316 3.279 -5.551 117 1HG2 VAL 15 1HG2 VAL 15 -14.374 1.188 -4.720 118 2HG2 VAL 15 2HG2 VAL 15 -12.780 0.479 -4.398 119 3HG2 VAL 15 3HG2 VAL 15 -14.005 0.560 -3.110 120 H CYS 16 H CYS 16 -13.248 3.912 -0.822 121 HA CYS 16 HA CYS 16 -13.700 2.142 1.415 122 1HB CYS 16 1HB CYS 16 -13.479 4.643 1.607 123 2HB CYS 16 2HB CYS 16 -14.938 4.805 0.621 124 H CYS 17 H CYS 17 -14.949 0.476 1.007 125 HA CYS 17 HA CYS 17 -16.790 0.046 -1.016 126 1HB CYS 17 1HB CYS 17 -15.608 -1.612 0.542 127 2HB CYS 17 2HB CYS 17 -16.906 -1.306 1.709 128 HG CYS 17 HG CYS 17 -18.794 -1.723 -0.225 129 H LYS 18 H LYS 18 -17.438 2.055 1.700 130 HA LYS 18 HA LYS 18 -20.368 1.776 1.318 131 1HB LYS 18 1HB LYS 18 -20.502 2.744 3.610 132 2HB LYS 18 2HB LYS 18 -19.880 1.091 3.485 133 1HG LYS 18 1HG LYS 18 -17.615 1.838 3.911 134 2HG LYS 18 2HG LYS 18 -18.112 3.537 3.776 135 1HD LYS 18 1HD LYS 18 -17.768 2.875 6.093 136 2HD LYS 18 2HD LYS 18 -19.434 3.390 5.793 137 1HE LYS 18 1HE LYS 18 -20.117 1.005 5.754 138 2HE LYS 18 2HE LYS 18 -18.445 0.510 6.057 139 1HZ LYS 18 1HZ LYS 18 -19.947 2.341 7.835 140 2HZ LYS 18 2HZ LYS 18 -18.531 1.621 8.164 141 3HZ LYS 18 3HZ LYS 18 -19.907 0.702 8.080 142 H CYS 19 H CYS 19 -17.740 4.135 0.779 143 HA CYS 19 HA CYS 19 -19.893 5.990 0.027 144 1HB CYS 19 1HB CYS 19 -18.581 7.734 0.756 145 2HB CYS 19 2HB CYS 19 -18.706 6.638 2.114 146 H ASP 20 H ASP 20 -17.516 3.989 -1.221 147 HA ASP 20 HA ASP 20 -16.240 3.821 -2.947 148 1HB ASP 20 1HB ASP 20 -18.465 4.070 -4.055 149 2HB ASP 20 2HB ASP 20 -18.055 5.758 -4.382 150 H GLY 21 H GLY 21 -15.525 5.871 -0.997 151 1HA GLY 21 1HA GLY 21 -14.164 7.956 -2.652 152 2HA GLY 21 2HA GLY 21 -14.144 7.943 -0.905 153 H ARG 22 H ARG 22 -12.031 8.006 -2.882 154 HA ARG 22 HA ARG 22 -10.991 5.307 -2.912 155 1HB ARG 22 1HB ARG 22 -9.630 5.796 -4.578 156 2HB ARG 22 2HB ARG 22 -11.039 6.764 -4.889 157 1HG ARG 22 1HG ARG 22 -9.290 8.056 -5.584 158 2HG ARG 22 2HG ARG 22 -9.673 8.779 -4.015 159 1HD ARG 22 1HD ARG 22 -7.563 6.665 -4.047 160 2HD ARG 22 2HD ARG 22 -7.222 8.112 -5.005 161 HE ARG 22 HE ARG 22 -8.032 8.372 -2.169 162 1HH1 ARG 22 1HH1 ARG 22 -5.472 8.759 -4.633 163 2HH1 ARG 22 2HH1 ARG 22 -4.184 8.977 -3.500 164 1HH2 ARG 22 1HH2 ARG 22 -6.418 9.246 -0.712 165 2HH2 ARG 22 2HH2 ARG 22 -4.815 9.575 -1.307 166 H ILE 23 H ILE 23 -9.157 4.443 -2.182 167 HA ILE 23 HA ILE 23 -7.840 5.964 -0.033 168 HB ILE 23 HB ILE 23 -8.498 3.001 0.084 169 1HG1 ILE 23 1HG1 ILE 23 -10.114 5.183 1.464 170 2HG1 ILE 23 2HG1 ILE 23 -10.647 4.269 0.049 171 1HG2 ILE 23 1HG2 ILE 23 -7.855 3.204 2.439 172 2HG2 ILE 23 2HG2 ILE 23 -6.593 3.975 1.486 173 3HG2 ILE 23 3HG2 ILE 23 -7.792 4.975 2.318 174 1HD1 ILE 23 1HD1 ILE 23 -10.082 3.074 2.778 175 2HD1 ILE 23 2HD1 ILE 23 -11.642 3.266 1.972 176 3HD1 ILE 23 3HD1 ILE 23 -10.451 2.147 1.301 177 H GLU 24 H GLU 24 -5.792 6.241 -0.734 178 HA GLU 24 HA GLU 24 -4.500 4.392 -2.591 179 1HB GLU 24 1HB GLU 24 -4.393 6.790 -2.752 180 2HB GLU 24 2HB GLU 24 -3.593 6.942 -1.181 181 1HG GLU 24 1HG GLU 24 -1.638 5.779 -2.067 182 2HG GLU 24 2HG GLU 24 -2.505 5.408 -3.572 183 H LEU 25 H LEU 25 -4.241 2.405 -1.523 184 HA LEU 25 HA LEU 25 -3.481 2.301 1.261 185 1HB LEU 25 1HB LEU 25 -3.385 0.031 -0.735 186 2HB LEU 25 2HB LEU 25 -3.384 -0.093 1.007 187 HG LEU 25 HG LEU 25 -5.713 0.902 -0.699 188 1HD1 LEU 25 1HD1 LEU 25 -5.237 -1.757 0.728 189 2HD1 LEU 25 2HD1 LEU 25 -5.276 -1.488 -1.027 190 3HD1 LEU 25 3HD1 LEU 25 -6.747 -1.273 -0.064 191 1HD2 LEU 25 1HD2 LEU 25 -5.704 1.858 1.615 192 2HD2 LEU 25 2HD2 LEU 25 -5.612 0.217 2.283 193 3HD2 LEU 25 3HD2 LEU 25 -7.043 0.732 1.360 194 H THR 26 H THR 26 -1.658 3.614 1.195 195 HA THR 26 HA THR 26 0.792 2.873 -0.185 196 HB THR 26 HB THR 26 0.340 4.796 2.135 197 HG1 THR 26 HG1 THR 26 -0.865 5.273 0.230 198 1HG2 THR 26 1HG2 THR 26 2.442 5.844 1.266 199 2HG2 THR 26 2HG2 THR 26 2.636 4.490 0.132 200 3HG2 THR 26 3HG2 THR 26 2.720 4.204 1.878 201 H VAL 27 H VAL 27 1.364 0.835 0.292 202 HA VAL 27 HA VAL 27 1.810 0.095 3.143 203 HB VAL 27 HB VAL 27 1.588 -2.244 2.424 204 1HG1 VAL 27 1HG1 VAL 27 -0.883 -0.631 1.672 205 2HG1 VAL 27 2HG1 VAL 27 -0.831 -2.320 2.215 206 3HG1 VAL 27 3HG1 VAL 27 -0.374 -1.018 3.330 207 1HG2 VAL 27 1HG2 VAL 27 0.638 -2.885 0.264 208 2HG2 VAL 27 2HG2 VAL 27 0.639 -1.198 -0.282 209 3HG2 VAL 27 3HG2 VAL 27 2.174 -2.042 0.021 210 H GLU 28 H GLU 28 3.706 -1.461 3.324 211 HA GLU 28 HA GLU 28 5.685 -1.117 1.174 212 1HB GLU 28 1HB GLU 28 6.068 -0.745 4.099 213 2HB GLU 28 2HB GLU 28 7.400 -1.378 3.128 214 1HG GLU 28 1HG GLU 28 7.505 0.597 1.811 215 2HG GLU 28 2HG GLU 28 5.919 1.155 2.356 216 H SER 29 H SER 29 5.284 -3.179 0.236 217 HA SER 29 HA SER 29 5.570 -5.524 2.004 218 1HB SER 29 1HB SER 29 3.055 -4.869 1.846 219 2HB SER 29 2HB SER 29 3.166 -5.419 0.161 220 HG SER 29 HG SER 29 2.538 -7.155 1.503 221 H SER 30 H SER 30 5.478 -7.594 0.563 222 HA SER 30 HA SER 30 7.347 -7.022 -1.702 223 1HB SER 30 1HB SER 30 6.653 -9.551 -0.145 224 2HB SER 30 2HB SER 30 7.702 -9.537 -1.577 225 HG SER 30 HG SER 30 8.782 -9.292 0.517 226 H ALA 31 H ALA 31 7.130 -8.475 -3.622 227 HA ALA 31 HA ALA 31 4.958 -7.681 -5.100 228 1HB ALA 31 1HB ALA 31 6.680 -10.208 -5.473 229 2HB ALA 31 2HB ALA 31 5.708 -9.453 -6.736 230 3HB ALA 31 3HB ALA 31 7.111 -8.585 -6.058 231 H GLU 32 H GLU 32 5.384 -10.879 -3.592 232 HA GLU 32 HA GLU 32 3.112 -12.036 -4.813 233 1HB GLU 32 1HB GLU 32 5.072 -13.201 -3.858 234 2HB GLU 32 2HB GLU 32 4.562 -12.770 -2.223 235 1HG GLU 32 1HG GLU 32 2.709 -14.270 -4.129 236 2HG GLU 32 2HG GLU 32 4.004 -15.084 -3.266 237 H ASP 33 H ASP 33 3.528 -10.688 -1.468 238 HA ASP 33 HA ASP 33 0.811 -10.964 -0.699 239 1HB ASP 33 1HB ASP 33 2.477 -10.478 0.951 240 2HB ASP 33 2HB ASP 33 2.967 -9.002 0.110 241 H LEU 34 H LEU 34 2.502 -8.238 -2.426 242 HA LEU 34 HA LEU 34 0.138 -6.663 -2.734 243 1HB LEU 34 1HB LEU 34 2.116 -5.597 -3.193 244 2HB LEU 34 2HB LEU 34 2.721 -6.845 -4.259 245 HG LEU 34 HG LEU 34 0.190 -5.453 -5.173 246 1HD1 LEU 34 1HD1 LEU 34 1.596 -3.568 -4.300 247 2HD1 LEU 34 2HD1 LEU 34 1.380 -3.527 -6.053 248 3HD1 LEU 34 3HD1 LEU 34 2.916 -4.088 -5.366 249 1HD2 LEU 34 1HD2 LEU 34 1.454 -5.602 -7.365 250 2HD2 LEU 34 2HD2 LEU 34 1.365 -7.196 -6.582 251 3HD2 LEU 34 3HD2 LEU 34 2.854 -6.254 -6.512 252 H ARG 35 H ARG 35 1.259 -9.472 -4.643 253 HA ARG 35 HA ARG 35 -0.768 -9.213 -6.656 254 1HB ARG 35 1HB ARG 35 1.549 -10.603 -6.558 255 2HB ARG 35 2HB ARG 35 0.520 -11.868 -5.917 256 1HG ARG 35 1HG ARG 35 0.671 -12.275 -8.214 257 2HG ARG 35 2HG ARG 35 -0.938 -11.582 -8.009 258 1HD ARG 35 1HD ARG 35 1.142 -9.519 -8.484 259 2HD ARG 35 2HD ARG 35 1.140 -10.734 -9.745 260 HE ARG 35 HE ARG 35 -0.839 -8.663 -9.251 261 1HH1 ARG 35 1HH1 ARG 35 -0.487 -11.850 -10.744 262 2HH1 ARG 35 2HH1 ARG 35 -1.853 -11.652 -11.794 263 1HH2 ARG 35 1HH2 ARG 35 -2.567 -8.396 -10.493 264 2HH2 ARG 35 2HH2 ARG 35 -3.096 -9.574 -11.680 265 H THR 36 H THR 36 -0.515 -11.257 -3.738 266 HA THR 36 HA THR 36 -3.003 -12.598 -4.079 267 HB THR 36 HB THR 36 -1.140 -12.048 -1.803 268 HG1 THR 36 HG1 THR 36 -0.078 -13.863 -2.579 269 1HG2 THR 36 1HG2 THR 36 -3.403 -14.099 -1.905 270 2HG2 THR 36 2HG2 THR 36 -3.262 -12.734 -0.770 271 3HG2 THR 36 3HG2 THR 36 -2.113 -14.076 -0.681 272 H LEU 37 H LEU 37 -2.079 -9.496 -2.362 273 HA LEU 37 HA LEU 37 -4.704 -9.430 -1.107 274 1HB LEU 37 1HB LEU 37 -4.002 -7.692 0.142 275 2HB LEU 37 2HB LEU 37 -2.489 -8.499 -0.155 276 HG LEU 37 HG LEU 37 -2.284 -6.719 -2.153 277 1HD1 LEU 37 1HD1 LEU 37 -4.570 -5.716 -1.864 278 2HD1 LEU 37 2HD1 LEU 37 -3.322 -4.534 -1.494 279 3HD1 LEU 37 3HD1 LEU 37 -4.186 -5.339 -0.181 280 1HD2 LEU 37 1HD2 LEU 37 -1.912 -5.980 0.779 281 2HD2 LEU 37 2HD2 LEU 37 -1.118 -5.197 -0.607 282 3HD2 LEU 37 3HD2 LEU 37 -0.766 -6.883 -0.221 283 H GLN 38 H GLN 38 -3.029 -8.011 -4.014 284 HA GLN 38 HA GLN 38 -5.197 -6.305 -4.575 285 1HB GLN 38 1HB GLN 38 -4.335 -5.868 -6.617 286 2HB GLN 38 2HB GLN 38 -2.968 -6.127 -5.541 287 1HG GLN 38 1HG GLN 38 -2.746 -8.401 -6.504 288 2HG GLN 38 2HG GLN 38 -4.034 -8.118 -7.654 289 1HE2 GLN 38 1HE2 GLN 38 -1.128 -6.425 -6.438 290 2HE2 GLN 38 2HE2 GLN 38 -0.483 -5.985 -8.028 291 H GLN 39 H GLN 39 -4.593 -9.871 -5.474 292 HA GLN 39 HA GLN 39 -6.886 -9.837 -7.171 293 1HB GLN 39 1HB GLN 39 -6.818 -12.073 -7.416 294 2HB GLN 39 2HB GLN 39 -5.278 -11.295 -7.611 295 1HG GLN 39 1HG GLN 39 -4.837 -11.952 -5.207 296 2HG GLN 39 2HG GLN 39 -6.233 -13.055 -5.414 297 1HE2 GLN 39 1HE2 GLN 39 -3.118 -12.024 -6.778 298 2HE2 GLN 39 2HE2 GLN 39 -2.812 -13.454 -7.768 299 H LEU 40 H LEU 40 -6.378 -10.568 -3.714 300 HA LEU 40 HA LEU 40 -8.937 -11.636 -3.521 301 1HB LEU 40 1HB LEU 40 -7.111 -10.372 -1.433 302 2HB LEU 40 2HB LEU 40 -8.676 -11.042 -0.973 303 HG LEU 40 HG LEU 40 -6.513 -12.684 -2.364 304 1HD1 LEU 40 1HD1 LEU 40 -7.226 -12.517 0.596 305 2HD1 LEU 40 2HD1 LEU 40 -5.743 -11.889 -0.158 306 3HD1 LEU 40 3HD1 LEU 40 -6.049 -13.629 -0.142 307 1HD2 LEU 40 1HD2 LEU 40 -9.088 -13.492 -0.959 308 2HD2 LEU 40 2HD2 LEU 40 -7.826 -14.609 -1.528 309 3HD2 LEU 40 3HD2 LEU 40 -8.727 -13.644 -2.694 310 H PHE 41 H PHE 41 -7.762 -8.286 -3.163 311 HA PHE 41 HA PHE 41 -10.296 -7.145 -2.307 312 1HB PHE 41 1HB PHE 41 -7.676 -6.001 -3.332 313 2HB PHE 41 2HB PHE 41 -9.089 -5.002 -3.099 314 HD1 PHE 41 HD1 PHE 41 -8.628 -3.557 -1.340 315 HD2 PHE 41 HD2 PHE 41 -7.683 -7.735 -0.822 316 HE1 PHE 41 HE1 PHE 41 -7.944 -3.134 0.990 317 HE2 PHE 41 HE2 PHE 41 -7.031 -7.302 1.494 318 HZ PHE 41 HZ PHE 41 -7.151 -4.999 2.422 319 H LEU 42 H LEU 42 -8.790 -7.774 -5.489 320 HA LEU 42 HA LEU 42 -10.874 -6.411 -6.985 321 1HB LEU 42 1HB LEU 42 -8.826 -8.564 -7.614 322 2HB LEU 42 2HB LEU 42 -10.008 -8.060 -8.813 323 HG LEU 42 HG LEU 42 -8.146 -6.059 -7.465 324 1HD1 LEU 42 1HD1 LEU 42 -6.720 -6.224 -9.472 325 2HD1 LEU 42 2HD1 LEU 42 -7.723 -7.558 -10.089 326 3HD1 LEU 42 3HD1 LEU 42 -6.773 -7.761 -8.599 327 1HD2 LEU 42 1HD2 LEU 42 -10.121 -5.074 -8.576 328 2HD2 LEU 42 2HD2 LEU 42 -9.738 -5.956 -10.068 329 3HD2 LEU 42 3HD2 LEU 42 -8.644 -4.692 -9.465 330 H SER 43 H SER 43 -10.459 -9.708 -5.734 331 HA SER 43 HA SER 43 -12.697 -10.894 -7.025 332 1HB SER 43 1HB SER 43 -10.883 -12.241 -6.248 333 2HB SER 43 2HB SER 43 -10.979 -11.598 -4.615 334 HG SER 43 HG SER 43 -12.720 -12.782 -4.167 335 H THR 44 H THR 44 -12.317 -10.228 -3.537 336 HA THR 44 HA THR 44 -15.181 -9.938 -3.222 337 HB THR 44 HB THR 44 -14.765 -11.886 -1.396 338 HG1 THR 44 HG1 THR 44 -13.219 -13.261 -1.934 339 1HG2 THR 44 1HG2 THR 44 -16.382 -11.957 -3.252 340 2HG2 THR 44 2HG2 THR 44 -15.573 -13.521 -2.983 341 3HG2 THR 44 3HG2 THR 44 -15.090 -12.491 -4.351 342 H LEU 45 H LEU 45 -12.025 -9.669 -1.860 343 HA LEU 45 HA LEU 45 -12.928 -8.550 0.704 344 1HB LEU 45 1HB LEU 45 -10.394 -9.331 -0.427 345 2HB LEU 45 2HB LEU 45 -10.283 -7.624 -0.085 346 HG LEU 45 HG LEU 45 -9.428 -8.948 1.735 347 1HD1 LEU 45 1HD1 LEU 45 -10.608 -7.989 3.620 348 2HD1 LEU 45 2HD1 LEU 45 -12.041 -7.664 2.636 349 3HD1 LEU 45 3HD1 LEU 45 -10.509 -6.804 2.314 350 1HD2 LEU 45 1HD2 LEU 45 -12.198 -10.179 2.053 351 2HD2 LEU 45 2HD2 LEU 45 -10.777 -10.463 3.076 352 3HD2 LEU 45 3HD2 LEU 45 -10.767 -10.992 1.386 353 H SER 46 H SER 46 -12.317 -6.159 1.218 354 HA SER 46 HA SER 46 -12.075 -4.226 -0.798 355 1HB SER 46 1HB SER 46 -14.879 -4.672 0.331 356 2HB SER 46 2HB SER 46 -14.346 -3.125 -0.359 357 HG SER 46 HG SER 46 -13.903 -5.470 -1.841 358 H PHE 47 H PHE 47 -12.798 -1.924 0.577 359 HA PHE 47 HA PHE 47 -11.738 -2.284 3.290 360 1HB PHE 47 1HB PHE 47 -10.095 -1.750 1.110 361 2HB PHE 47 2HB PHE 47 -10.482 -0.138 1.663 362 HD1 PHE 47 HD1 PHE 47 -9.502 -3.529 3.056 363 HD2 PHE 47 HD2 PHE 47 -8.941 0.748 3.204 364 HE1 PHE 47 HE1 PHE 47 -7.775 -3.808 4.813 365 HE2 PHE 47 HE2 PHE 47 -7.212 0.459 4.966 366 HZ PHE 47 HZ PHE 47 -6.629 -1.821 5.771 367 H VAL 48 H VAL 48 -11.573 0.140 4.231 368 HA VAL 48 HA VAL 48 -13.814 1.780 3.473 369 HB VAL 48 HB VAL 48 -14.995 0.258 4.841 370 1HG1 VAL 48 1HG1 VAL 48 -13.207 -0.892 6.039 371 2HG1 VAL 48 2HG1 VAL 48 -12.893 0.567 7.013 372 3HG1 VAL 48 3HG1 VAL 48 -14.434 -0.307 7.162 373 1HG2 VAL 48 1HG2 VAL 48 -15.511 2.634 5.258 374 2HG2 VAL 48 2HG2 VAL 48 -15.806 1.619 6.677 375 3HG2 VAL 48 3HG2 VAL 48 -14.366 2.646 6.617 376 H CYS 49 H CYS 49 -13.464 3.941 4.075 377 HA CYS 49 HA CYS 49 -10.689 4.541 4.773 378 1HB CYS 49 1HB CYS 49 -11.342 6.857 4.262 379 2HB CYS 49 2HB CYS 49 -11.766 5.757 2.965 380 HA PRO 50 HA PRO 50 -11.317 5.104 9.043 381 1HB PRO 50 1HB PRO 50 -9.795 7.307 9.748 382 2HB PRO 50 2HB PRO 50 -9.142 5.690 9.350 383 1HG PRO 50 1HG PRO 50 -9.428 8.090 7.521 384 2HG PRO 50 2HG PRO 50 -8.002 7.022 7.735 385 1HD PRO 50 1HD PRO 50 -9.698 6.666 5.667 386 2HD PRO 50 2HD PRO 50 -9.047 5.249 6.541 387 H TRP 51 H TRP 51 -12.027 7.943 7.069 388 HA TRP 51 HA TRP 51 -13.580 9.465 8.900 389 1HB TRP 51 1HB TRP 51 -12.984 10.469 6.826 390 2HB TRP 51 2HB TRP 51 -13.582 9.103 5.891 391 HD1 TRP 51 HD1 TRP 51 -15.671 10.893 8.577 392 HE1 TRP 51 HE1 TRP 51 -17.842 11.653 7.557 393 HE3 TRP 51 HE3 TRP 51 -14.603 9.872 3.669 394 HZ2 TRP 51 HZ2 TRP 51 -18.927 12.038 4.857 395 HZ3 TRP 51 HZ3 TRP 51 -16.234 10.447 1.896 396 HH2 TRP 51 HH2 TRP 51 -18.391 11.532 2.475 397 H CYS 52 H CYS 52 -14.716 7.081 6.424 398 HA CYS 52 HA CYS 52 -17.360 6.890 7.500 399 1HB CYS 52 1HB CYS 52 -15.756 5.006 5.736 400 2HB CYS 52 2HB CYS 52 -17.480 4.901 6.103 401 H ALA 53 H ALA 53 -14.410 4.931 8.119 402 HA ALA 53 HA ALA 53 -15.659 3.008 9.790 403 1HB ALA 53 1HB ALA 53 -12.903 4.211 10.232 404 2HB ALA 53 2HB ALA 53 -13.481 2.627 10.763 405 3HB ALA 53 3HB ALA 53 -13.262 2.943 9.029 406 H THR 54 H THR 54 -14.665 6.359 10.528 407 HA THR 54 HA THR 54 -15.342 6.151 13.350 408 HB THR 54 HB THR 54 -14.828 8.631 11.651 409 HG1 THR 54 HG1 THR 54 -13.049 7.332 11.447 410 1HG2 THR 54 1HG2 THR 54 -14.501 8.137 14.642 411 2HG2 THR 54 2HG2 THR 54 -15.758 9.144 13.890 412 3HG2 THR 54 3HG2 THR 54 -14.056 9.621 13.775 413 H ASN 55 H ASN 55 -16.901 7.561 10.427 414 HA ASN 55 HA ASN 55 -19.138 8.711 11.928 415 1HB ASN 55 1HB ASN 55 -18.594 8.318 8.947 416 2HB ASN 55 2HB ASN 55 -20.092 9.004 9.565 417 1HD2 ASN 55 1HD2 ASN 55 -17.085 9.662 11.243 418 2HD2 ASN 55 2HD2 ASN 55 -17.000 11.349 10.783 419 H GLN 56 H GLN 56 -18.493 5.769 10.424 420 HA GLN 56 HA GLN 56 -19.384 3.726 10.405 421 1HB GLN 56 1HB GLN 56 -20.365 4.020 12.604 422 2HB GLN 56 2HB GLN 56 -21.786 4.808 11.922 423 1HG GLN 56 1HG GLN 56 -21.279 2.216 10.615 424 2HG GLN 56 2HG GLN 56 -21.367 2.049 12.359 425 1HE2 GLN 56 1HE2 GLN 56 -23.179 4.189 10.014 426 2HE2 GLN 56 2HE2 GLN 56 -24.770 3.599 10.545 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 11.681 5.052 -6.772 2 1HA GLY 1 1HA GLY 1 10.982 7.795 -5.991 3 2HA GLY 1 2HA GLY 1 11.512 6.477 -4.911 4 H SER 2 H SER 2 13.405 7.742 -4.233 5 HA SER 2 HA SER 2 15.613 7.584 -6.198 6 1HB SER 2 1HB SER 2 16.452 9.758 -5.276 7 2HB SER 2 2HB SER 2 14.962 9.894 -6.226 8 HG SER 2 HG SER 2 14.768 11.087 -4.325 9 H HIS 3 H HIS 3 15.702 8.871 -2.932 10 HA HIS 3 HA HIS 3 17.378 6.651 -1.950 11 1HB HIS 3 1HB HIS 3 17.856 8.931 -1.196 12 2HB HIS 3 2HB HIS 3 16.223 9.093 -0.546 13 HD1 HIS 3 HD1 HIS 3 15.676 7.081 1.398 14 HD2 HIS 3 HD2 HIS 3 19.660 8.120 0.539 15 HE1 HIS 3 HE1 HIS 3 17.110 6.282 3.406 16 H MET 4 H MET 4 15.992 4.867 -2.273 17 HA MET 4 HA MET 4 13.920 4.563 -0.199 18 1HB MET 4 1HB MET 4 12.399 3.465 -1.759 19 2HB MET 4 2HB MET 4 12.706 5.128 -2.261 20 1HG MET 4 1HG MET 4 14.415 4.233 -3.908 21 2HG MET 4 2HG MET 4 13.910 2.604 -3.454 22 1HE MET 4 1HE MET 4 13.341 1.785 -5.775 23 2HE MET 4 2HE MET 4 12.452 2.721 -6.993 24 3HE MET 4 3HE MET 4 14.027 3.303 -6.397 25 H ALA 5 H ALA 5 13.779 2.456 0.567 26 HA ALA 5 HA ALA 5 15.625 0.430 -0.332 27 1HB ALA 5 1HB ALA 5 16.789 0.381 1.898 28 2HB ALA 5 2HB ALA 5 16.980 1.977 1.135 29 3HB ALA 5 3HB ALA 5 15.781 1.743 2.431 30 H GLU 6 H GLU 6 12.790 0.800 0.063 31 HA GLU 6 HA GLU 6 12.052 -0.793 2.426 32 1HB GLU 6 1HB GLU 6 10.269 0.395 0.257 33 2HB GLU 6 2HB GLU 6 9.730 -0.286 1.788 34 1HG GLU 6 1HG GLU 6 9.769 1.884 2.465 35 2HG GLU 6 2HG GLU 6 11.448 1.530 2.802 36 HA PRO 7 HA PRO 7 11.390 -4.667 0.177 37 1HB PRO 7 1HB PRO 7 9.549 -5.936 1.701 38 2HB PRO 7 2HB PRO 7 11.208 -5.621 2.282 39 1HG PRO 7 1HG PRO 7 8.716 -3.979 2.842 40 2HG PRO 7 2HG PRO 7 9.918 -4.601 4.019 41 1HD PRO 7 1HD PRO 7 10.036 -2.065 3.043 42 2HD PRO 7 2HD PRO 7 11.522 -2.999 3.373 43 H GLN 8 H GLN 8 10.597 -3.083 -1.498 44 HA GLN 8 HA GLN 8 9.270 -2.733 -3.240 45 1HB GLN 8 1HB GLN 8 9.554 -5.072 -3.447 46 2HB GLN 8 2HB GLN 8 8.249 -5.438 -2.336 47 1HG GLN 8 1HG GLN 8 6.608 -4.584 -3.917 48 2HG GLN 8 2HG GLN 8 7.912 -3.972 -4.965 49 1HE2 GLN 8 1HE2 GLN 8 6.534 -5.133 -6.486 50 2HE2 GLN 8 2HE2 GLN 8 6.912 -6.842 -6.805 51 H ARG 9 H ARG 9 8.717 -0.891 -1.826 52 HA ARG 9 HA ARG 9 6.049 -0.543 -0.790 53 1HB ARG 9 1HB ARG 9 8.019 0.833 -0.111 54 2HB ARG 9 2HB ARG 9 8.049 1.545 -1.719 55 1HG ARG 9 1HG ARG 9 5.386 1.786 -0.725 56 2HG ARG 9 2HG ARG 9 6.477 2.242 0.580 57 1HD ARG 9 1HD ARG 9 6.609 3.405 -2.219 58 2HD ARG 9 2HD ARG 9 5.773 4.146 -0.838 59 HE ARG 9 HE ARG 9 8.634 3.449 -0.435 60 1HH1 ARG 9 1HH1 ARG 9 6.367 6.105 -1.001 61 2HH1 ARG 9 2HH1 ARG 9 7.509 7.324 -0.514 62 1HH2 ARG 9 1HH2 ARG 9 9.992 4.826 0.133 63 2HH2 ARG 9 2HH2 ARG 9 9.757 6.579 0.186 64 H HIS 10 H HIS 10 4.451 -0.992 -2.116 65 HA HIS 10 HA HIS 10 4.479 0.230 -4.892 66 1HB HIS 10 1HB HIS 10 2.900 -2.059 -3.756 67 2HB HIS 10 2HB HIS 10 2.355 -1.180 -5.161 68 HD1 HIS 10 HD1 HIS 10 2.845 -2.466 -7.254 69 HD2 HIS 10 HD2 HIS 10 6.037 -2.469 -4.484 70 HE1 HIS 10 HE1 HIS 10 4.781 -3.699 -8.367 71 H LYS 11 H LYS 11 2.266 1.069 -5.603 72 HA LYS 11 HA LYS 11 0.752 2.273 -3.368 73 1HB LYS 11 1HB LYS 11 1.135 3.510 -6.109 74 2HB LYS 11 2HB LYS 11 0.177 4.138 -4.761 75 1HG LYS 11 1HG LYS 11 2.689 3.728 -3.605 76 2HG LYS 11 2HG LYS 11 3.115 4.231 -5.217 77 1HD LYS 11 1HD LYS 11 1.232 5.775 -3.362 78 2HD LYS 11 2HD LYS 11 2.987 6.046 -3.477 79 1HE LYS 11 1HE LYS 11 2.764 6.493 -5.892 80 2HE LYS 11 2HE LYS 11 1.007 6.235 -5.756 81 1HZ LYS 11 1HZ LYS 11 1.685 8.594 -5.723 82 2HZ LYS 11 2HZ LYS 11 2.384 8.352 -4.240 83 3HZ LYS 11 3HZ LYS 11 0.756 8.133 -4.481 84 H ILE 12 H ILE 12 -1.194 1.545 -3.223 85 HA ILE 12 HA ILE 12 -2.534 0.248 -5.554 86 HB ILE 12 HB ILE 12 -2.674 -0.783 -2.699 87 1HG1 ILE 12 1HG1 ILE 12 -1.198 -2.018 -5.073 88 2HG1 ILE 12 2HG1 ILE 12 -0.426 -1.239 -3.686 89 1HG2 ILE 12 1HG2 ILE 12 -3.696 -2.025 -5.304 90 2HG2 ILE 12 2HG2 ILE 12 -4.002 -2.596 -3.647 91 3HG2 ILE 12 3HG2 ILE 12 -4.718 -1.096 -4.197 92 1HD1 ILE 12 1HD1 ILE 12 -0.361 -3.608 -3.339 93 2HD1 ILE 12 2HD1 ILE 12 -1.483 -2.888 -2.162 94 3HD1 ILE 12 3HD1 ILE 12 -2.103 -3.764 -3.577 95 H LEU 13 H LEU 13 -3.999 1.772 -6.017 96 HA LEU 13 HA LEU 13 -5.523 3.263 -4.096 97 1HB LEU 13 1HB LEU 13 -4.994 3.998 -6.408 98 2HB LEU 13 2HB LEU 13 -6.081 2.769 -7.047 99 HG LEU 13 HG LEU 13 -7.050 4.843 -5.027 100 1HD1 LEU 13 1HD1 LEU 13 -5.958 6.100 -6.784 101 2HD1 LEU 13 2HD1 LEU 13 -7.715 6.241 -6.992 102 3HD1 LEU 13 3HD1 LEU 13 -6.792 5.157 -8.044 103 1HD2 LEU 13 1HD2 LEU 13 -9.226 4.546 -6.229 104 2HD2 LEU 13 2HD2 LEU 13 -8.669 3.043 -5.512 105 3HD2 LEU 13 3HD2 LEU 13 -8.476 3.303 -7.253 106 H CYS 14 H CYS 14 -6.798 2.295 -2.726 107 HA CYS 14 HA CYS 14 -8.657 0.161 -3.719 108 1HB CYS 14 1HB CYS 14 -7.775 0.807 -0.869 109 2HB CYS 14 2HB CYS 14 -8.942 -0.452 -1.341 110 HG CYS 14 HG CYS 14 -5.811 -0.120 -2.320 111 H VAL 15 H VAL 15 -10.870 0.396 -2.281 112 HA VAL 15 HA VAL 15 -11.489 3.241 -1.979 113 HB VAL 15 HB VAL 15 -13.650 2.986 -3.142 114 1HG1 VAL 15 1HG1 VAL 15 -11.720 4.013 -4.285 115 2HG1 VAL 15 2HG1 VAL 15 -11.298 2.434 -4.989 116 3HG1 VAL 15 3HG1 VAL 15 -12.840 3.216 -5.399 117 1HG2 VAL 15 1HG2 VAL 15 -12.553 0.348 -4.219 118 2HG2 VAL 15 2HG2 VAL 15 -13.893 0.513 -3.059 119 3HG2 VAL 15 3HG2 VAL 15 -14.061 1.154 -4.698 120 H CYS 16 H CYS 16 -13.262 3.738 -0.778 121 HA CYS 16 HA CYS 16 -13.956 1.917 1.421 122 1HB CYS 16 1HB CYS 16 -13.748 4.429 1.680 123 2HB CYS 16 2HB CYS 16 -15.162 4.594 0.625 124 H CYS 17 H CYS 17 -15.376 0.223 0.927 125 HA CYS 17 HA CYS 17 -17.053 0.215 -1.328 126 1HB CYS 17 1HB CYS 17 -16.235 -1.773 -0.105 127 2HB CYS 17 2HB CYS 17 -17.362 -1.435 1.215 128 HG CYS 17 HG CYS 17 -19.393 -1.294 -0.728 129 H LYS 18 H LYS 18 -17.735 2.022 1.601 130 HA LYS 18 HA LYS 18 -20.651 1.826 1.224 131 1HB LYS 18 1HB LYS 18 -19.550 4.144 2.771 132 2HB LYS 18 2HB LYS 18 -20.927 3.113 3.034 133 1HG LYS 18 1HG LYS 18 -18.854 1.363 3.573 134 2HG LYS 18 2HG LYS 18 -18.116 2.921 3.979 135 1HD LYS 18 1HD LYS 18 -20.078 3.446 5.450 136 2HD LYS 18 2HD LYS 18 -20.831 1.929 4.937 137 1HE LYS 18 1HE LYS 18 -18.924 0.666 5.975 138 2HE LYS 18 2HE LYS 18 -18.263 2.208 6.550 139 1HZ LYS 18 1HZ LYS 18 -19.514 1.315 8.305 140 2HZ LYS 18 2HZ LYS 18 -20.831 1.005 7.351 141 3HZ LYS 18 3HZ LYS 18 -20.440 2.536 7.713 142 H CYS 19 H CYS 19 -18.048 4.157 0.774 143 HA CYS 19 HA CYS 19 -19.946 6.023 -0.560 144 1HB CYS 19 1HB CYS 19 -18.630 7.760 0.403 145 2HB CYS 19 2HB CYS 19 -19.112 6.621 1.662 146 H ASP 20 H ASP 20 -17.525 3.948 -1.448 147 HA ASP 20 HA ASP 20 -16.054 3.705 -3.057 148 1HB ASP 20 1HB ASP 20 -18.089 3.958 -4.382 149 2HB ASP 20 2HB ASP 20 -17.789 5.685 -4.493 150 H GLY 21 H GLY 21 -15.566 5.653 -0.990 151 1HA GLY 21 1HA GLY 21 -14.247 7.961 -2.018 152 2HA GLY 21 2HA GLY 21 -13.930 7.296 -0.422 153 H ARG 22 H ARG 22 -12.394 8.267 -2.667 154 HA ARG 22 HA ARG 22 -10.831 6.177 -3.924 155 1HB ARG 22 1HB ARG 22 -11.492 8.322 -4.956 156 2HB ARG 22 2HB ARG 22 -10.468 9.212 -3.830 157 1HG ARG 22 1HG ARG 22 -9.179 7.078 -5.512 158 2HG ARG 22 2HG ARG 22 -9.746 8.534 -6.339 159 1HD ARG 22 1HD ARG 22 -8.424 9.945 -4.751 160 2HD ARG 22 2HD ARG 22 -7.763 8.460 -4.037 161 HE ARG 22 HE ARG 22 -7.423 8.536 -6.896 162 1HH1 ARG 22 1HH1 ARG 22 -5.962 9.907 -3.899 163 2HH1 ARG 22 2HH1 ARG 22 -4.334 9.593 -4.545 164 1HH2 ARG 22 1HH2 ARG 22 -5.135 8.424 -7.630 165 2HH2 ARG 22 2HH2 ARG 22 -3.937 8.848 -6.393 166 H ILE 23 H ILE 23 -9.457 4.970 -2.517 167 HA ILE 23 HA ILE 23 -7.801 6.614 -0.693 168 HB ILE 23 HB ILE 23 -8.941 3.834 -0.294 169 1HG1 ILE 23 1HG1 ILE 23 -9.520 6.295 1.427 170 2HG1 ILE 23 2HG1 ILE 23 -10.484 5.968 -0.003 171 1HG2 ILE 23 1HG2 ILE 23 -7.950 3.993 1.982 172 2HG2 ILE 23 2HG2 ILE 23 -6.717 4.060 0.731 173 3HG2 ILE 23 3HG2 ILE 23 -7.206 5.552 1.549 174 1HD1 ILE 23 1HD1 ILE 23 -10.223 4.171 2.399 175 2HD1 ILE 23 2HD1 ILE 23 -11.646 5.048 1.805 176 3HD1 ILE 23 3HD1 ILE 23 -10.998 3.699 0.861 177 H GLU 24 H GLU 24 -6.128 6.911 -2.027 178 HA GLU 24 HA GLU 24 -4.611 4.864 -3.418 179 1HB GLU 24 1HB GLU 24 -4.707 7.144 -4.166 180 2HB GLU 24 2HB GLU 24 -4.028 7.735 -2.638 181 1HG GLU 24 1HG GLU 24 -1.950 6.355 -3.170 182 2HG GLU 24 2HG GLU 24 -2.663 6.013 -4.752 183 H LEU 25 H LEU 25 -3.885 3.176 -2.007 184 HA LEU 25 HA LEU 25 -2.685 3.907 0.519 185 1HB LEU 25 1HB LEU 25 -2.583 1.215 -0.881 186 2HB LEU 25 2HB LEU 25 -2.330 1.558 0.815 187 HG LEU 25 HG LEU 25 -5.006 1.746 -0.630 188 1HD1 LEU 25 1HD1 LEU 25 -3.879 -0.354 1.293 189 2HD1 LEU 25 2HD1 LEU 25 -4.129 -0.564 -0.452 190 3HD1 LEU 25 3HD1 LEU 25 -5.519 -0.330 0.615 191 1HD2 LEU 25 1HD2 LEU 25 -4.756 3.258 1.395 192 2HD2 LEU 25 2HD2 LEU 25 -4.324 1.842 2.367 193 3HD2 LEU 25 3HD2 LEU 25 -5.942 1.965 1.645 194 H THR 26 H THR 26 -0.553 3.158 0.852 195 HA THR 26 HA THR 26 0.953 2.154 -1.336 196 HB THR 26 HB THR 26 1.662 4.504 -1.494 197 HG1 THR 26 HG1 THR 26 3.065 2.460 -1.749 198 1HG2 THR 26 1HG2 THR 26 3.071 4.075 1.154 199 2HG2 THR 26 2HG2 THR 26 1.684 5.175 0.891 200 3HG2 THR 26 3HG2 THR 26 3.234 5.466 0.062 201 H VAL 27 H VAL 27 2.031 0.397 -0.705 202 HA VAL 27 HA VAL 27 2.372 -0.189 2.134 203 HB VAL 27 HB VAL 27 1.133 -2.360 1.852 204 1HG1 VAL 27 1HG1 VAL 27 -1.064 -1.482 2.385 205 2HG1 VAL 27 2HG1 VAL 27 0.181 -0.464 3.130 206 3HG1 VAL 27 3HG1 VAL 27 -0.659 0.090 1.669 207 1HG2 VAL 27 1HG2 VAL 27 0.905 -2.438 -0.614 208 2HG2 VAL 27 2HG2 VAL 27 -0.657 -2.572 0.201 209 3HG2 VAL 27 3HG2 VAL 27 -0.192 -1.039 -0.562 210 H GLU 28 H GLU 28 4.031 -1.525 2.397 211 HA GLU 28 HA GLU 28 5.524 -2.284 0.017 212 1HB GLU 28 1HB GLU 28 6.710 -2.324 2.709 213 2HB GLU 28 2HB GLU 28 7.428 -1.935 1.167 214 1HG GLU 28 1HG GLU 28 7.391 0.139 2.053 215 2HG GLU 28 2HG GLU 28 5.798 0.182 1.332 216 H SER 29 H SER 29 5.506 -4.301 -0.642 217 HA SER 29 HA SER 29 5.841 -6.423 1.300 218 1HB SER 29 1HB SER 29 3.437 -6.466 1.358 219 2HB SER 29 2HB SER 29 3.334 -6.381 -0.417 220 HG SER 29 HG SER 29 4.158 -8.470 -0.554 221 H SER 30 H SER 30 6.510 -8.272 0.394 222 HA SER 30 HA SER 30 7.984 -8.315 -2.070 223 1HB SER 30 1HB SER 30 6.814 -10.604 -0.412 224 2HB SER 30 2HB SER 30 8.070 -10.749 -1.655 225 HG SER 30 HG SER 30 8.932 -10.650 0.471 226 H ALA 31 H ALA 31 7.263 -8.904 -4.049 227 HA ALA 31 HA ALA 31 4.894 -8.361 -5.013 228 1HB ALA 31 1HB ALA 31 6.629 -10.618 -6.107 229 2HB ALA 31 2HB ALA 31 5.462 -9.648 -7.026 230 3HB ALA 31 3HB ALA 31 6.922 -8.887 -6.360 231 H GLU 32 H GLU 32 5.590 -11.588 -3.677 232 HA GLU 32 HA GLU 32 3.379 -12.992 -4.748 233 1HB GLU 32 1HB GLU 32 5.019 -13.414 -2.213 234 2HB GLU 32 2HB GLU 32 3.871 -14.590 -2.871 235 1HG GLU 32 1HG GLU 32 5.171 -14.825 -4.917 236 2HG GLU 32 2HG GLU 32 6.265 -13.522 -4.438 237 H ASP 33 H ASP 33 3.758 -11.707 -1.348 238 HA ASP 33 HA ASP 33 0.963 -12.134 -0.850 239 1HB ASP 33 1HB ASP 33 2.723 -12.176 0.922 240 2HB ASP 33 2HB ASP 33 2.916 -10.441 0.736 241 H LEU 34 H LEU 34 2.786 -9.580 -2.314 242 HA LEU 34 HA LEU 34 0.869 -7.436 -1.855 243 1HB LEU 34 1HB LEU 34 3.316 -7.135 -2.636 244 2HB LEU 34 2HB LEU 34 2.757 -7.687 -4.212 245 HG LEU 34 HG LEU 34 0.882 -5.776 -3.837 246 1HD1 LEU 34 1HD1 LEU 34 3.235 -4.763 -2.170 247 2HD1 LEU 34 2HD1 LEU 34 1.627 -5.191 -1.543 248 3HD1 LEU 34 3HD1 LEU 34 1.814 -3.824 -2.647 249 1HD2 LEU 34 1HD2 LEU 34 3.745 -5.104 -4.616 250 2HD2 LEU 34 2HD2 LEU 34 2.256 -4.251 -5.097 251 3HD2 LEU 34 3HD2 LEU 34 2.564 -5.895 -5.679 252 H ARG 35 H ARG 35 1.444 -9.945 -4.351 253 HA ARG 35 HA ARG 35 -0.783 -9.309 -6.031 254 1HB ARG 35 1HB ARG 35 1.225 -11.457 -5.750 255 2HB ARG 35 2HB ARG 35 -0.337 -12.119 -6.036 256 1HG ARG 35 1HG ARG 35 0.904 -11.764 -8.119 257 2HG ARG 35 2HG ARG 35 -0.552 -10.775 -8.105 258 1HD ARG 35 1HD ARG 35 1.684 -9.270 -6.971 259 2HD ARG 35 2HD ARG 35 2.158 -9.944 -8.517 260 HE ARG 35 HE ARG 35 0.107 -7.911 -7.964 261 1HH1 ARG 35 1HH1 ARG 35 1.471 -10.039 -10.443 262 2HH1 ARG 35 2HH1 ARG 35 0.739 -9.206 -11.773 263 1HH2 ARG 35 1HH2 ARG 35 -0.924 -6.866 -9.643 264 2HH2 ARG 35 2HH2 ARG 35 -0.646 -7.300 -11.312 265 H THR 36 H THR 36 -0.495 -11.620 -3.224 266 HA THR 36 HA THR 36 -3.172 -12.414 -3.304 267 HB THR 36 HB THR 36 -1.453 -11.963 -0.833 268 HG1 THR 36 HG1 THR 36 -1.577 -14.228 -2.543 269 1HG2 THR 36 1HG2 THR 36 -3.761 -12.603 -0.257 270 2HG2 THR 36 2HG2 THR 36 -2.638 -13.924 0.092 271 3HG2 THR 36 3HG2 THR 36 -3.670 -13.996 -1.358 272 H LEU 37 H LEU 37 -1.786 -9.500 -1.547 273 HA LEU 37 HA LEU 37 -4.378 -9.101 -0.331 274 1HB LEU 37 1HB LEU 37 -3.422 -7.296 0.853 275 2HB LEU 37 2HB LEU 37 -2.282 -8.623 0.826 276 HG LEU 37 HG LEU 37 -1.247 -7.259 -1.239 277 1HD1 LEU 37 1HD1 LEU 37 -2.931 -5.423 -1.250 278 2HD1 LEU 37 2HD1 LEU 37 -1.321 -4.831 -0.834 279 3HD1 LEU 37 3HD1 LEU 37 -2.533 -5.059 0.440 280 1HD2 LEU 37 1HD2 LEU 37 0.304 -6.172 0.357 281 2HD2 LEU 37 2HD2 LEU 37 -0.051 -7.833 0.840 282 3HD2 LEU 37 3HD2 LEU 37 -0.838 -6.488 1.684 283 H GLN 38 H GLN 38 -2.695 -7.877 -3.246 284 HA GLN 38 HA GLN 38 -4.583 -5.724 -3.566 285 1HB GLN 38 1HB GLN 38 -3.496 -5.178 -5.457 286 2HB GLN 38 2HB GLN 38 -2.239 -5.913 -4.481 287 1HG GLN 38 1HG GLN 38 -2.611 -8.036 -5.856 288 2HG GLN 38 2HG GLN 38 -3.636 -7.109 -6.934 289 1HE2 GLN 38 1HE2 GLN 38 -0.470 -6.841 -5.306 290 2HE2 GLN 38 2HE2 GLN 38 0.404 -6.092 -6.650 291 H GLN 39 H GLN 39 -4.367 -9.187 -4.536 292 HA GLN 39 HA GLN 39 -6.563 -9.190 -6.310 293 1HB GLN 39 1HB GLN 39 -5.089 -11.294 -4.818 294 2HB GLN 39 2HB GLN 39 -6.573 -11.681 -5.730 295 1HG GLN 39 1HG GLN 39 -5.760 -10.716 -7.747 296 2HG GLN 39 2HG GLN 39 -4.444 -9.876 -6.930 297 1HE2 GLN 39 1HE2 GLN 39 -3.039 -10.619 -8.458 298 2HE2 GLN 39 2HE2 GLN 39 -2.473 -12.271 -8.314 299 H LEU 40 H LEU 40 -6.300 -9.761 -2.750 300 HA LEU 40 HA LEU 40 -9.059 -10.291 -2.296 301 1HB LEU 40 1HB LEU 40 -6.998 -8.942 -0.508 302 2HB LEU 40 2HB LEU 40 -8.621 -9.372 0.019 303 HG LEU 40 HG LEU 40 -6.538 -11.370 -0.960 304 1HD1 LEU 40 1HD1 LEU 40 -7.559 -10.772 1.846 305 2HD1 LEU 40 2HD1 LEU 40 -5.959 -10.334 1.207 306 3HD1 LEU 40 3HD1 LEU 40 -6.394 -12.037 1.395 307 1HD2 LEU 40 1HD2 LEU 40 -9.323 -11.792 0.187 308 2HD2 LEU 40 2HD2 LEU 40 -8.097 -13.065 -0.020 309 3HD2 LEU 40 3HD2 LEU 40 -8.743 -12.246 -1.436 310 H PHE 41 H PHE 41 -7.327 -7.108 -2.308 311 HA PHE 41 HA PHE 41 -9.752 -5.614 -1.868 312 1HB PHE 41 1HB PHE 41 -7.031 -4.817 -2.944 313 2HB PHE 41 2HB PHE 41 -8.356 -3.679 -2.766 314 HD1 PHE 41 HD1 PHE 41 -9.582 -3.784 -0.321 315 HD2 PHE 41 HD2 PHE 41 -5.457 -4.716 -1.172 316 HE1 PHE 41 HE1 PHE 41 -8.983 -3.367 2.047 317 HE2 PHE 41 HE2 PHE 41 -4.875 -4.299 1.189 318 HZ PHE 41 HZ PHE 41 -6.640 -3.638 2.812 319 H LEU 42 H LEU 42 -8.234 -6.824 -4.850 320 HA LEU 42 HA LEU 42 -10.006 -5.365 -6.613 321 1HB LEU 42 1HB LEU 42 -8.009 -7.579 -6.843 322 2HB LEU 42 2HB LEU 42 -9.302 -7.629 -8.010 323 HG LEU 42 HG LEU 42 -7.405 -6.512 -8.929 324 1HD1 LEU 42 1HD1 LEU 42 -9.687 -5.802 -9.619 325 2HD1 LEU 42 2HD1 LEU 42 -8.441 -4.568 -9.861 326 3HD1 LEU 42 3HD1 LEU 42 -9.569 -4.424 -8.505 327 1HD2 LEU 42 1HD2 LEU 42 -6.660 -4.259 -8.166 328 2HD2 LEU 42 2HD2 LEU 42 -6.267 -5.563 -7.048 329 3HD2 LEU 42 3HD2 LEU 42 -7.624 -4.470 -6.691 330 H SER 43 H SER 43 -10.183 -8.497 -4.959 331 HA SER 43 HA SER 43 -12.448 -9.454 -6.425 332 1HB SER 43 1HB SER 43 -10.802 -10.974 -5.550 333 2HB SER 43 2HB SER 43 -10.983 -10.355 -3.909 334 HG SER 43 HG SER 43 -12.103 -12.402 -4.580 335 H THR 44 H THR 44 -12.124 -8.774 -2.928 336 HA THR 44 HA THR 44 -14.965 -8.247 -2.749 337 HB THR 44 HB THR 44 -13.622 -10.595 -1.344 338 HG1 THR 44 HG1 THR 44 -13.877 -11.062 -3.572 339 1HG2 THR 44 1HG2 THR 44 -15.939 -11.347 -0.846 340 2HG2 THR 44 2HG2 THR 44 -16.570 -9.838 -1.540 341 3HG2 THR 44 3HG2 THR 44 -15.572 -9.803 -0.068 342 H LEU 45 H LEU 45 -11.760 -8.122 -1.250 343 HA LEU 45 HA LEU 45 -12.764 -7.070 1.286 344 1HB LEU 45 1HB LEU 45 -10.610 -8.380 1.028 345 2HB LEU 45 2HB LEU 45 -9.979 -7.049 0.056 346 HG LEU 45 HG LEU 45 -10.177 -5.531 2.018 347 1HD1 LEU 45 1HD1 LEU 45 -10.944 -8.069 3.529 348 2HD1 LEU 45 2HD1 LEU 45 -11.963 -6.628 3.310 349 3HD1 LEU 45 3HD1 LEU 45 -10.492 -6.521 4.275 350 1HD2 LEU 45 1HD2 LEU 45 -8.571 -8.078 2.510 351 2HD2 LEU 45 2HD2 LEU 45 -8.262 -6.482 3.232 352 3HD2 LEU 45 3HD2 LEU 45 -8.069 -6.711 1.490 353 H SER 46 H SER 46 -12.460 -4.723 1.851 354 HA SER 46 HA SER 46 -11.856 -2.914 -0.348 355 1HB SER 46 1HB SER 46 -13.898 -1.605 0.187 356 2HB SER 46 2HB SER 46 -14.234 -3.179 -0.562 357 HG SER 46 HG SER 46 -14.849 -3.979 1.389 358 H PHE 47 H PHE 47 -11.993 -0.579 0.709 359 HA PHE 47 HA PHE 47 -10.470 -0.826 3.272 360 1HB PHE 47 1HB PHE 47 -9.312 -0.303 0.968 361 2HB PHE 47 2HB PHE 47 -9.891 1.328 1.262 362 HD1 PHE 47 HD1 PHE 47 -9.299 2.362 3.597 363 HD2 PHE 47 HD2 PHE 47 -7.367 -1.146 2.014 364 HE1 PHE 47 HE1 PHE 47 -7.427 2.664 5.209 365 HE2 PHE 47 HE2 PHE 47 -5.515 -0.859 3.637 366 HZ PHE 47 HZ PHE 47 -5.539 1.046 5.234 367 H VAL 48 H VAL 48 -12.609 -0.572 4.263 368 HA VAL 48 HA VAL 48 -14.093 1.767 3.707 369 HB VAL 48 HB VAL 48 -15.276 -0.091 4.548 370 1HG1 VAL 48 1HG1 VAL 48 -15.035 -1.085 6.769 371 2HG1 VAL 48 2HG1 VAL 48 -13.561 -1.291 5.824 372 3HG1 VAL 48 3HG1 VAL 48 -13.629 -0.056 7.103 373 1HG2 VAL 48 1HG2 VAL 48 -16.513 0.808 6.450 374 2HG2 VAL 48 2HG2 VAL 48 -15.231 1.988 6.771 375 3HG2 VAL 48 3HG2 VAL 48 -16.163 2.077 5.258 376 H CYS 49 H CYS 49 -13.407 3.718 4.017 377 HA CYS 49 HA CYS 49 -11.173 4.451 5.538 378 1HB CYS 49 1HB CYS 49 -12.050 6.814 5.264 379 2HB CYS 49 2HB CYS 49 -11.853 5.886 3.797 380 HA PRO 50 HA PRO 50 -12.475 4.519 9.682 381 1HB PRO 50 1HB PRO 50 -11.098 6.623 10.841 382 2HB PRO 50 2HB PRO 50 -10.376 5.053 10.375 383 1HG PRO 50 1HG PRO 50 -10.403 7.638 8.790 384 2HG PRO 50 2HG PRO 50 -9.017 6.543 9.104 385 1HD PRO 50 1HD PRO 50 -10.385 6.423 6.775 386 2HD PRO 50 2HD PRO 50 -9.846 4.918 7.579 387 H TRP 51 H TRP 51 -12.955 7.504 7.871 388 HA TRP 51 HA TRP 51 -14.866 8.811 9.541 389 1HB TRP 51 1HB TRP 51 -13.811 9.834 7.575 390 2HB TRP 51 2HB TRP 51 -14.666 8.706 6.516 391 HD1 TRP 51 HD1 TRP 51 -16.943 9.508 5.685 392 HE1 TRP 51 HE1 TRP 51 -18.719 11.167 6.439 393 HE3 TRP 51 HE3 TRP 51 -14.734 11.200 9.989 394 HZ2 TRP 51 HZ2 TRP 51 -19.167 13.010 8.626 395 HZ3 TRP 51 HZ3 TRP 51 -15.901 12.848 11.426 396 HH2 TRP 51 HH2 TRP 51 -18.113 13.756 10.755 397 H CYS 52 H CYS 52 -15.342 6.391 6.909 398 HA CYS 52 HA CYS 52 -18.181 6.085 7.430 399 1HB CYS 52 1HB CYS 52 -16.115 4.538 5.820 400 2HB CYS 52 2HB CYS 52 -17.798 4.062 5.958 401 H ALA 53 H ALA 53 -15.250 4.372 8.574 402 HA ALA 53 HA ALA 53 -16.682 2.306 9.935 403 1HB ALA 53 1HB ALA 53 -14.099 3.619 10.859 404 2HB ALA 53 2HB ALA 53 -14.697 2.009 11.277 405 3HB ALA 53 3HB ALA 53 -14.195 2.349 9.609 406 H THR 54 H THR 54 -15.768 5.615 10.977 407 HA THR 54 HA THR 54 -16.828 5.377 13.624 408 HB THR 54 HB THR 54 -16.257 7.898 12.002 409 HG1 THR 54 HG1 THR 54 -14.422 6.676 12.016 410 1HG2 THR 54 1HG2 THR 54 -15.773 8.913 14.206 411 2HG2 THR 54 2HG2 THR 54 -16.273 7.413 15.015 412 3HG2 THR 54 3HG2 THR 54 -17.460 8.382 14.110 413 H ASN 55 H ASN 55 -18.157 6.837 10.620 414 HA ASN 55 HA ASN 55 -20.664 7.644 11.893 415 1HB ASN 55 1HB ASN 55 -19.834 7.403 8.966 416 2HB ASN 55 2HB ASN 55 -21.440 7.906 9.491 417 1HD2 ASN 55 1HD2 ASN 55 -17.953 8.767 9.847 418 2HD2 ASN 55 2HD2 ASN 55 -18.293 10.468 10.139 419 H GLN 56 H GLN 56 -19.448 4.806 10.333 420 HA GLN 56 HA GLN 56 -20.089 2.709 10.216 421 1HB GLN 56 1HB GLN 56 -20.584 3.077 12.652 422 2HB GLN 56 2HB GLN 56 -22.280 3.291 12.224 423 1HG GLN 56 1HG GLN 56 -21.350 0.872 10.940 424 2HG GLN 56 2HG GLN 56 -20.728 0.857 12.584 425 1HE2 GLN 56 1HE2 GLN 56 -23.751 1.803 10.898 426 2HE2 GLN 56 2HE2 GLN 56 -24.862 0.953 12.015 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 12.295 8.977 1.216 2 1HA GLY 1 1HA GLY 1 11.489 11.672 0.325 3 2HA GLY 1 2HA GLY 1 12.211 11.290 1.908 4 H SER 2 H SER 2 14.336 12.235 1.733 5 HA SER 2 HA SER 2 16.077 11.985 -0.429 6 1HB SER 2 1HB SER 2 16.857 11.916 2.503 7 2HB SER 2 2HB SER 2 17.712 12.679 1.150 8 HG SER 2 HG SER 2 16.618 14.255 2.319 9 H HIS 3 H HIS 3 14.772 9.468 1.391 10 HA HIS 3 HA HIS 3 16.698 7.463 0.510 11 1HB HIS 3 1HB HIS 3 17.446 7.976 2.768 12 2HB HIS 3 2HB HIS 3 15.792 8.049 3.369 13 HD1 HIS 3 HD1 HIS 3 14.522 5.650 3.759 14 HD2 HIS 3 HD2 HIS 3 18.622 5.585 2.749 15 HE1 HIS 3 HE1 HIS 3 15.382 3.331 4.337 16 H MET 4 H MET 4 15.579 5.453 0.185 17 HA MET 4 HA MET 4 13.059 4.896 1.364 18 1HB MET 4 1HB MET 4 12.466 6.089 -0.866 19 2HB MET 4 2HB MET 4 13.199 4.720 -1.687 20 1HG MET 4 1HG MET 4 10.843 4.660 0.242 21 2HG MET 4 2HG MET 4 10.736 4.574 -1.509 22 1HE MET 4 1HE MET 4 12.134 0.910 -2.193 23 2HE MET 4 2HE MET 4 11.543 2.403 -2.958 24 3HE MET 4 3HE MET 4 13.141 2.371 -2.166 25 H ALA 5 H ALA 5 13.319 2.701 1.882 26 HA ALA 5 HA ALA 5 14.918 0.988 0.208 27 1HB ALA 5 1HB ALA 5 15.740 1.389 3.124 28 2HB ALA 5 2HB ALA 5 16.530 0.311 1.962 29 3HB ALA 5 3HB ALA 5 16.635 2.069 1.738 30 H GLU 6 H GLU 6 12.229 1.213 1.233 31 HA GLU 6 HA GLU 6 11.926 -1.044 3.105 32 1HB GLU 6 1HB GLU 6 9.742 0.655 1.833 33 2HB GLU 6 2HB GLU 6 9.602 -0.440 3.210 34 1HG GLU 6 1HG GLU 6 9.863 1.440 4.443 35 2HG GLU 6 2HG GLU 6 11.563 1.148 4.196 36 HA PRO 7 HA PRO 7 11.264 -4.139 0.037 37 1HB PRO 7 1HB PRO 7 9.457 -5.858 1.185 38 2HB PRO 7 2HB PRO 7 11.164 -5.710 1.702 39 1HG PRO 7 1HG PRO 7 8.728 -4.382 2.926 40 2HG PRO 7 2HG PRO 7 10.048 -5.260 3.762 41 1HD PRO 7 1HD PRO 7 10.039 -2.562 3.596 42 2HD PRO 7 2HD PRO 7 11.569 -3.471 3.428 43 H GLN 8 H GLN 8 10.366 -3.343 -1.749 44 HA GLN 8 HA GLN 8 8.922 -2.431 -3.219 45 1HB GLN 8 1HB GLN 8 7.588 -4.893 -2.119 46 2HB GLN 8 2HB GLN 8 6.829 -3.952 -3.417 47 1HG GLN 8 1HG GLN 8 8.972 -4.162 -4.712 48 2HG GLN 8 2HG GLN 8 9.523 -5.306 -3.466 49 1HE2 GLN 8 1HE2 GLN 8 6.668 -4.691 -5.649 50 2HE2 GLN 8 2HE2 GLN 8 6.443 -6.402 -6.017 51 H ARG 9 H ARG 9 8.859 -0.540 -1.611 52 HA ARG 9 HA ARG 9 6.409 0.322 -0.528 53 1HB ARG 9 1HB ARG 9 8.585 1.544 -0.476 54 2HB ARG 9 2HB ARG 9 8.322 2.037 -2.148 55 1HG ARG 9 1HG ARG 9 7.077 3.771 -1.366 56 2HG ARG 9 2HG ARG 9 5.914 2.593 -0.759 57 1HD ARG 9 1HD ARG 9 7.803 2.509 1.210 58 2HD ARG 9 2HD ARG 9 7.944 4.197 0.707 59 HE ARG 9 HE ARG 9 5.212 3.726 0.994 60 1HH1 ARG 9 1HH1 ARG 9 8.069 3.394 3.174 61 2HH1 ARG 9 2HH1 ARG 9 7.014 2.642 4.379 62 1HH2 ARG 9 1HH2 ARG 9 3.916 3.158 2.972 63 2HH2 ARG 9 2HH2 ARG 9 4.910 2.666 4.320 64 H HIS 10 H HIS 10 4.539 0.004 -1.463 65 HA HIS 10 HA HIS 10 4.094 0.625 -4.379 66 1HB HIS 10 1HB HIS 10 3.433 -1.869 -2.866 67 2HB HIS 10 2HB HIS 10 2.358 -1.290 -4.138 68 HD1 HIS 10 HD1 HIS 10 2.729 -2.810 -6.127 69 HD2 HIS 10 HD2 HIS 10 6.288 -1.631 -4.237 70 HE1 HIS 10 HE1 HIS 10 4.641 -3.839 -7.465 71 H LYS 11 H LYS 11 2.388 2.015 -4.724 72 HA LYS 11 HA LYS 11 0.657 2.709 -2.484 73 1HB LYS 11 1HB LYS 11 1.486 3.938 -5.121 74 2HB LYS 11 2HB LYS 11 0.301 4.653 -4.026 75 1HG LYS 11 1HG LYS 11 1.945 4.966 -2.286 76 2HG LYS 11 2HG LYS 11 3.121 3.917 -3.068 77 1HD LYS 11 1HD LYS 11 3.699 6.308 -3.340 78 2HD LYS 11 2HD LYS 11 3.459 5.465 -4.874 79 1HE LYS 11 1HE LYS 11 2.350 7.493 -5.129 80 2HE LYS 11 2HE LYS 11 1.084 6.322 -4.910 81 1HZ LYS 11 1HZ LYS 11 0.425 8.003 -3.487 82 2HZ LYS 11 2HZ LYS 11 1.964 8.254 -2.853 83 3HZ LYS 11 3HZ LYS 11 1.006 6.919 -2.536 84 H ILE 12 H ILE 12 -1.023 1.228 -2.473 85 HA ILE 12 HA ILE 12 -2.273 0.529 -5.068 86 HB ILE 12 HB ILE 12 -2.988 -0.726 -2.419 87 1HG1 ILE 12 1HG1 ILE 12 -0.767 -1.679 -4.283 88 2HG1 ILE 12 2HG1 ILE 12 -0.500 -0.902 -2.718 89 1HG2 ILE 12 1HG2 ILE 12 -3.124 -1.701 -5.305 90 2HG2 ILE 12 2HG2 ILE 12 -3.761 -2.541 -3.870 91 3HG2 ILE 12 3HG2 ILE 12 -4.486 -1.026 -4.393 92 1HD1 ILE 12 1HD1 ILE 12 -1.886 -2.700 -1.633 93 2HD1 ILE 12 2HD1 ILE 12 -1.774 -3.591 -3.181 94 3HD1 ILE 12 3HD1 ILE 12 -0.311 -3.174 -2.268 95 H LEU 13 H LEU 13 -3.586 2.137 -5.626 96 HA LEU 13 HA LEU 13 -5.212 3.711 -3.910 97 1HB LEU 13 1HB LEU 13 -4.388 4.332 -6.177 98 2HB LEU 13 2HB LEU 13 -5.634 3.301 -6.875 99 HG LEU 13 HG LEU 13 -6.671 5.125 -4.758 100 1HD1 LEU 13 1HD1 LEU 13 -5.412 6.335 -7.210 101 2HD1 LEU 13 2HD1 LEU 13 -4.920 6.558 -5.512 102 3HD1 LEU 13 3HD1 LEU 13 -6.499 7.170 -6.079 103 1HD2 LEU 13 1HD2 LEU 13 -8.162 3.878 -6.264 104 2HD2 LEU 13 2HD2 LEU 13 -7.502 4.773 -7.650 105 3HD2 LEU 13 3HD2 LEU 13 -8.405 5.625 -6.377 106 H CYS 14 H CYS 14 -6.650 2.720 -2.591 107 HA CYS 14 HA CYS 14 -8.550 0.751 -3.861 108 1HB CYS 14 1HB CYS 14 -7.784 1.095 -0.936 109 2HB CYS 14 2HB CYS 14 -8.985 -0.054 -1.566 110 HG CYS 14 HG CYS 14 -5.799 0.250 -2.418 111 H VAL 15 H VAL 15 -10.834 0.862 -2.373 112 HA VAL 15 HA VAL 15 -11.508 3.703 -2.087 113 HB VAL 15 HB VAL 15 -13.656 3.429 -3.183 114 1HG1 VAL 15 1HG1 VAL 15 -11.342 2.867 -5.074 115 2HG1 VAL 15 2HG1 VAL 15 -12.895 3.637 -5.466 116 3HG1 VAL 15 3HG1 VAL 15 -11.765 4.450 -4.377 117 1HG2 VAL 15 1HG2 VAL 15 -14.111 1.576 -4.715 118 2HG2 VAL 15 2HG2 VAL 15 -12.594 0.773 -4.259 119 3HG2 VAL 15 3HG2 VAL 15 -13.909 0.956 -3.073 120 H CYS 16 H CYS 16 -13.237 4.147 -0.761 121 HA CYS 16 HA CYS 16 -13.765 2.353 1.448 122 1HB CYS 16 1HB CYS 16 -13.795 4.864 1.631 123 2HB CYS 16 2HB CYS 16 -15.221 4.876 0.575 124 H CYS 17 H CYS 17 -15.098 0.686 1.313 125 HA CYS 17 HA CYS 17 -16.621 -0.092 -0.856 126 1HB CYS 17 1HB CYS 17 -15.752 -1.423 1.158 127 2HB CYS 17 2HB CYS 17 -17.223 -0.920 2.011 128 HG CYS 17 HG CYS 17 -17.441 -3.397 1.148 129 H LYS 18 H LYS 18 -17.703 2.148 1.660 130 HA LYS 18 HA LYS 18 -20.544 1.752 0.944 131 1HB LYS 18 1HB LYS 18 -19.962 4.021 2.749 132 2HB LYS 18 2HB LYS 18 -21.104 2.696 2.884 133 1HG LYS 18 1HG LYS 18 -19.115 1.242 3.592 134 2HG LYS 18 2HG LYS 18 -18.171 2.750 3.669 135 1HD LYS 18 1HD LYS 18 -19.707 3.672 5.344 136 2HD LYS 18 2HD LYS 18 -20.781 2.276 5.181 137 1HE LYS 18 1HE LYS 18 -19.083 0.764 6.056 138 2HE LYS 18 2HE LYS 18 -17.881 2.061 6.051 139 1HZ LYS 18 1HZ LYS 18 -20.273 1.930 7.823 140 2HZ LYS 18 2HZ LYS 18 -19.380 3.224 7.712 141 3HZ LYS 18 3HZ LYS 18 -18.690 1.837 8.264 142 H CYS 19 H CYS 19 -18.070 4.296 0.876 143 HA CYS 19 HA CYS 19 -19.950 6.069 -0.578 144 1HB CYS 19 1HB CYS 19 -18.874 7.857 0.488 145 2HB CYS 19 2HB CYS 19 -19.228 6.662 1.730 146 H ASP 20 H ASP 20 -17.369 4.109 -1.358 147 HA ASP 20 HA ASP 20 -15.923 3.948 -2.998 148 1HB ASP 20 1HB ASP 20 -17.992 4.271 -4.256 149 2HB ASP 20 2HB ASP 20 -17.674 5.997 -4.324 150 H GLY 21 H GLY 21 -15.509 6.016 -0.881 151 1HA GLY 21 1HA GLY 21 -14.106 8.240 -2.080 152 2HA GLY 21 2HA GLY 21 -14.011 7.804 -0.374 153 H ARG 22 H ARG 22 -12.025 8.571 -2.317 154 HA ARG 22 HA ARG 22 -10.382 6.429 -3.258 155 1HB ARG 22 1HB ARG 22 -10.447 8.659 -4.260 156 2HB ARG 22 2HB ARG 22 -9.777 9.393 -2.807 157 1HG ARG 22 1HG ARG 22 -8.198 7.229 -4.222 158 2HG ARG 22 2HG ARG 22 -8.319 8.830 -4.955 159 1HD ARG 22 1HD ARG 22 -7.467 9.824 -2.778 160 2HD ARG 22 2HD ARG 22 -7.113 8.166 -2.252 161 HE ARG 22 HE ARG 22 -6.022 8.741 -4.854 162 1HH1 ARG 22 1HH1 ARG 22 -5.341 9.296 -1.437 163 2HH1 ARG 22 2HH1 ARG 22 -3.613 9.178 -1.615 164 1HH2 ARG 22 1HH2 ARG 22 -3.716 8.619 -5.101 165 2HH2 ARG 22 2HH2 ARG 22 -2.707 8.484 -3.697 166 H ILE 23 H ILE 23 -9.381 5.027 -1.914 167 HA ILE 23 HA ILE 23 -7.899 6.173 0.372 168 HB ILE 23 HB ILE 23 -8.066 3.216 -0.268 169 1HG1 ILE 23 1HG1 ILE 23 -10.410 3.753 -0.075 170 2HG1 ILE 23 2HG1 ILE 23 -9.854 2.755 1.247 171 1HG2 ILE 23 1HG2 ILE 23 -7.571 4.744 2.316 172 2HG2 ILE 23 2HG2 ILE 23 -7.601 2.973 2.155 173 3HG2 ILE 23 3HG2 ILE 23 -6.366 3.917 1.319 174 1HD1 ILE 23 1HD1 ILE 23 -9.877 4.694 2.767 175 2HD1 ILE 23 2HD1 ILE 23 -10.381 5.750 1.419 176 3HD1 ILE 23 3HD1 ILE 23 -11.447 4.448 1.990 177 H GLU 24 H GLU 24 -5.484 5.768 0.191 178 HA GLU 24 HA GLU 24 -4.712 4.106 -2.079 179 1HB GLU 24 1HB GLU 24 -4.486 6.358 -2.939 180 2HB GLU 24 2HB GLU 24 -3.475 6.794 -1.540 181 1HG GLU 24 1HG GLU 24 -2.276 4.472 -2.721 182 2HG GLU 24 2HG GLU 24 -2.740 5.518 -4.061 183 H LEU 25 H LEU 25 -3.750 2.480 -1.308 184 HA LEU 25 HA LEU 25 -2.856 2.583 1.386 185 1HB LEU 25 1HB LEU 25 -2.562 0.254 -0.531 186 2HB LEU 25 2HB LEU 25 -2.479 0.209 1.219 187 HG LEU 25 HG LEU 25 -4.931 0.777 -0.482 188 1HD1 LEU 25 1HD1 LEU 25 -4.217 -1.583 -0.413 189 2HD1 LEU 25 2HD1 LEU 25 -5.716 -1.365 0.505 190 3HD1 LEU 25 3HD1 LEU 25 -4.170 -1.542 1.364 191 1HD2 LEU 25 1HD2 LEU 25 -6.211 0.771 1.627 192 2HD2 LEU 25 2HD2 LEU 25 -5.043 2.093 1.636 193 3HD2 LEU 25 3HD2 LEU 25 -4.707 0.623 2.568 194 H THR 26 H THR 26 -1.010 4.158 1.124 195 HA THR 26 HA THR 26 1.260 3.424 -0.552 196 HB THR 26 HB THR 26 1.303 5.259 1.863 197 HG1 THR 26 HG1 THR 26 0.294 5.871 -0.716 198 1HG2 THR 26 1HG2 THR 26 3.247 4.624 -0.374 199 2HG2 THR 26 2HG2 THR 26 3.522 4.744 1.363 200 3HG2 THR 26 3HG2 THR 26 3.280 6.214 0.437 201 H VAL 27 H VAL 27 1.334 1.117 0.033 202 HA VAL 27 HA VAL 27 2.427 0.572 2.761 203 HB VAL 27 HB VAL 27 1.795 -1.774 2.301 204 1HG1 VAL 27 1HG1 VAL 27 -0.632 -1.452 2.603 205 2HG1 VAL 27 2HG1 VAL 27 0.339 -0.359 3.605 206 3HG1 VAL 27 3HG1 VAL 27 -0.452 0.258 2.145 207 1HG2 VAL 27 1HG2 VAL 27 0.331 -2.407 0.492 208 2HG2 VAL 27 2HG2 VAL 27 0.303 -0.756 -0.157 209 3HG2 VAL 27 3HG2 VAL 27 1.799 -1.713 -0.202 210 H GLU 28 H GLU 28 3.997 -1.186 2.759 211 HA GLU 28 HA GLU 28 5.785 -1.412 0.419 212 1HB GLU 28 1HB GLU 28 6.684 -1.964 3.188 213 2HB GLU 28 2HB GLU 28 7.590 -1.406 1.799 214 1HG GLU 28 1HG GLU 28 7.574 0.511 2.995 215 2HG GLU 28 2HG GLU 28 6.149 0.780 2.075 216 H SER 29 H SER 29 5.423 -3.593 -0.557 217 HA SER 29 HA SER 29 4.914 -5.794 1.263 218 1HB SER 29 1HB SER 29 2.952 -4.567 -0.685 219 2HB SER 29 2HB SER 29 2.842 -6.177 0.026 220 HG SER 29 HG SER 29 3.323 -4.275 1.913 221 H SER 30 H SER 30 5.782 -7.451 0.429 222 HA SER 30 HA SER 30 7.361 -7.411 -1.950 223 1HB SER 30 1HB SER 30 6.472 -9.806 -0.280 224 2HB SER 30 2HB SER 30 7.862 -9.745 -1.382 225 HG SER 30 HG SER 30 8.437 -9.390 0.831 226 H ALA 31 H ALA 31 7.079 -8.544 -3.903 227 HA ALA 31 HA ALA 31 4.880 -8.348 -5.272 228 1HB ALA 31 1HB ALA 31 5.690 -10.154 -6.813 229 2HB ALA 31 2HB ALA 31 7.053 -9.156 -6.234 230 3HB ALA 31 3HB ALA 31 6.748 -10.768 -5.540 231 H GLU 32 H GLU 32 5.496 -11.440 -3.565 232 HA GLU 32 HA GLU 32 3.245 -12.625 -4.864 233 1HB GLU 32 1HB GLU 32 5.448 -13.681 -3.991 234 2HB GLU 32 2HB GLU 32 4.681 -13.678 -2.396 235 1HG GLU 32 1HG GLU 32 4.348 -15.846 -3.460 236 2HG GLU 32 2HG GLU 32 2.804 -14.980 -3.345 237 H ASP 33 H ASP 33 3.742 -11.160 -1.691 238 HA ASP 33 HA ASP 33 1.146 -11.706 -0.583 239 1HB ASP 33 1HB ASP 33 2.945 -11.167 0.908 240 2HB ASP 33 2HB ASP 33 3.348 -9.701 0.010 241 H LEU 34 H LEU 34 2.702 -8.987 -2.384 242 HA LEU 34 HA LEU 34 0.414 -7.305 -2.322 243 1HB LEU 34 1HB LEU 34 2.720 -6.567 -2.765 244 2HB LEU 34 2HB LEU 34 2.697 -7.382 -4.321 245 HG LEU 34 HG LEU 34 0.315 -5.666 -4.147 246 1HD1 LEU 34 1HD1 LEU 34 2.960 -4.275 -3.534 247 2HD1 LEU 34 2HD1 LEU 34 1.569 -4.420 -2.448 248 3HD1 LEU 34 3HD1 LEU 34 1.412 -3.481 -3.941 249 1HD2 LEU 34 1HD2 LEU 34 2.862 -5.375 -5.806 250 2HD2 LEU 34 2HD2 LEU 34 1.254 -4.686 -6.168 251 3HD2 LEU 34 3HD2 LEU 34 1.518 -6.442 -6.216 252 H ARG 35 H ARG 35 1.445 -9.795 -4.840 253 HA ARG 35 HA ARG 35 -0.756 -9.423 -6.536 254 1HB ARG 35 1HB ARG 35 1.327 -10.815 -6.924 255 2HB ARG 35 2HB ARG 35 0.733 -11.950 -5.710 256 1HG ARG 35 1HG ARG 35 -1.438 -11.889 -7.287 257 2HG ARG 35 2HG ARG 35 -0.262 -11.351 -8.486 258 1HD ARG 35 1HD ARG 35 0.335 -13.458 -8.779 259 2HD ARG 35 2HD ARG 35 1.001 -13.531 -7.184 260 HE ARG 35 HE ARG 35 -1.781 -14.347 -7.944 261 1HH1 ARG 35 1HH1 ARG 35 0.847 -14.748 -5.534 262 2HH1 ARG 35 2HH1 ARG 35 -0.305 -14.900 -4.219 263 1HH2 ARG 35 1HH2 ARG 35 -3.152 -14.966 -6.344 264 2HH2 ARG 35 2HH2 ARG 35 -2.535 -15.537 -4.795 265 H THR 36 H THR 36 -0.312 -11.757 -3.787 266 HA THR 36 HA THR 36 -2.834 -12.876 -4.039 267 HB THR 36 HB THR 36 -1.329 -12.431 -1.430 268 HG1 THR 36 HG1 THR 36 0.112 -13.388 -2.777 269 1HG2 THR 36 1HG2 THR 36 -3.564 -13.401 -1.051 270 2HG2 THR 36 2HG2 THR 36 -2.312 -14.619 -0.767 271 3HG2 THR 36 3HG2 THR 36 -3.250 -14.650 -2.277 272 H LEU 37 H LEU 37 -1.943 -9.886 -2.163 273 HA LEU 37 HA LEU 37 -4.566 -9.811 -0.956 274 1HB LEU 37 1HB LEU 37 -3.848 -8.026 0.314 275 2HB LEU 37 2HB LEU 37 -2.424 -9.019 0.120 276 HG LEU 37 HG LEU 37 -1.909 -7.318 -1.893 277 1HD1 LEU 37 1HD1 LEU 37 -2.622 -5.016 -1.316 278 2HD1 LEU 37 2HD1 LEU 37 -3.624 -5.634 0.005 279 3HD1 LEU 37 3HD1 LEU 37 -4.038 -5.997 -1.678 280 1HD2 LEU 37 1HD2 LEU 37 -0.484 -7.659 0.086 281 2HD2 LEU 37 2HD2 LEU 37 -1.530 -6.604 1.046 282 3HD2 LEU 37 3HD2 LEU 37 -0.598 -5.943 -0.316 283 H GLN 38 H GLN 38 -2.938 -8.286 -3.819 284 HA GLN 38 HA GLN 38 -5.101 -6.506 -4.251 285 1HB GLN 38 1HB GLN 38 -4.152 -5.860 -6.126 286 2HB GLN 38 2HB GLN 38 -2.793 -6.493 -5.247 287 1HG GLN 38 1HG GLN 38 -3.077 -8.622 -6.745 288 2HG GLN 38 2HG GLN 38 -4.198 -7.719 -7.699 289 1HE2 GLN 38 1HE2 GLN 38 -1.001 -7.130 -6.091 290 2HE2 GLN 38 2HE2 GLN 38 -0.233 -6.488 -7.560 291 H GLN 39 H GLN 39 -4.607 -9.963 -5.053 292 HA GLN 39 HA GLN 39 -6.933 -10.145 -6.703 293 1HB GLN 39 1HB GLN 39 -6.009 -12.630 -5.339 294 2HB GLN 39 2HB GLN 39 -6.561 -12.354 -6.992 295 1HG GLN 39 1HG GLN 39 -4.249 -10.881 -6.986 296 2HG GLN 39 2HG GLN 39 -3.880 -12.137 -5.785 297 1HE2 GLN 39 1HE2 GLN 39 -3.618 -11.224 -8.925 298 2HE2 GLN 39 2HE2 GLN 39 -3.077 -12.767 -9.514 299 H LEU 40 H LEU 40 -6.395 -10.526 -3.178 300 HA LEU 40 HA LEU 40 -9.057 -11.406 -2.571 301 1HB LEU 40 1HB LEU 40 -7.150 -9.691 -0.929 302 2HB LEU 40 2HB LEU 40 -8.684 -10.301 -0.340 303 HG LEU 40 HG LEU 40 -6.371 -12.059 -1.250 304 1HD1 LEU 40 1HD1 LEU 40 -7.388 -11.398 1.545 305 2HD1 LEU 40 2HD1 LEU 40 -5.883 -10.796 0.819 306 3HD1 LEU 40 3HD1 LEU 40 -6.072 -12.523 1.140 307 1HD2 LEU 40 1HD2 LEU 40 -7.663 -13.881 -0.134 308 2HD2 LEU 40 2HD2 LEU 40 -8.474 -13.253 -1.565 309 3HD2 LEU 40 3HD2 LEU 40 -9.035 -12.767 0.054 310 H PHE 41 H PHE 41 -7.724 -8.057 -2.838 311 HA PHE 41 HA PHE 41 -10.263 -6.761 -2.417 312 1HB PHE 41 1HB PHE 41 -7.673 -5.895 -3.703 313 2HB PHE 41 2HB PHE 41 -9.108 -4.907 -3.848 314 HD1 PHE 41 HD1 PHE 41 -9.588 -3.249 -2.227 315 HD2 PHE 41 HD2 PHE 41 -7.003 -6.544 -1.158 316 HE1 PHE 41 HE1 PHE 41 -8.928 -2.095 -0.151 317 HE2 PHE 41 HE2 PHE 41 -6.342 -5.367 0.885 318 HZ PHE 41 HZ PHE 41 -7.251 -3.115 1.369 319 H LEU 42 H LEU 42 -8.627 -7.851 -5.415 320 HA LEU 42 HA LEU 42 -10.554 -6.996 -7.276 321 1HB LEU 42 1HB LEU 42 -8.243 -7.892 -7.712 322 2HB LEU 42 2HB LEU 42 -8.837 -9.496 -7.272 323 HG LEU 42 HG LEU 42 -10.385 -9.437 -9.233 324 1HD1 LEU 42 1HD1 LEU 42 -10.558 -6.996 -9.559 325 2HD1 LEU 42 2HD1 LEU 42 -9.898 -7.756 -11.010 326 3HD1 LEU 42 3HD1 LEU 42 -8.813 -6.894 -9.896 327 1HD2 LEU 42 1HD2 LEU 42 -8.566 -9.849 -10.861 328 2HD2 LEU 42 2HD2 LEU 42 -8.197 -10.573 -9.290 329 3HD2 LEU 42 3HD2 LEU 42 -7.402 -9.057 -9.776 330 H SER 43 H SER 43 -10.421 -10.014 -5.338 331 HA SER 43 HA SER 43 -12.695 -11.248 -6.541 332 1HB SER 43 1HB SER 43 -10.900 -12.456 -5.345 333 2HB SER 43 2HB SER 43 -11.351 -11.693 -3.829 334 HG SER 43 HG SER 43 -13.372 -12.773 -3.928 335 H THR 44 H THR 44 -12.295 -9.746 -3.294 336 HA THR 44 HA THR 44 -15.133 -9.236 -3.102 337 HB THR 44 HB THR 44 -13.974 -11.406 -1.301 338 HG1 THR 44 HG1 THR 44 -15.121 -11.625 -3.851 339 1HG2 THR 44 1HG2 THR 44 -16.344 -12.099 -1.055 340 2HG2 THR 44 2HG2 THR 44 -16.848 -10.739 -2.085 341 3HG2 THR 44 3HG2 THR 44 -16.093 -10.437 -0.503 342 H LEU 45 H LEU 45 -11.927 -9.026 -1.631 343 HA LEU 45 HA LEU 45 -12.887 -7.821 0.839 344 1HB LEU 45 1HB LEU 45 -10.753 -9.048 0.696 345 2HB LEU 45 2HB LEU 45 -10.153 -7.894 -0.489 346 HG LEU 45 HG LEU 45 -10.105 -6.107 1.180 347 1HD1 LEU 45 1HD1 LEU 45 -11.964 -6.820 2.691 348 2HD1 LEU 45 2HD1 LEU 45 -10.459 -6.604 3.580 349 3HD1 LEU 45 3HD1 LEU 45 -11.018 -8.241 3.173 350 1HD2 LEU 45 1HD2 LEU 45 -8.249 -6.981 2.501 351 2HD2 LEU 45 2HD2 LEU 45 -8.157 -7.630 0.857 352 3HD2 LEU 45 3HD2 LEU 45 -8.754 -8.655 2.175 353 H SER 46 H SER 46 -12.508 -5.485 1.371 354 HA SER 46 HA SER 46 -11.721 -3.595 -0.566 355 1HB SER 46 1HB SER 46 -14.697 -3.819 0.090 356 2HB SER 46 2HB SER 46 -13.948 -2.320 -0.501 357 HG SER 46 HG SER 46 -13.429 -4.712 -1.892 358 H PHE 47 H PHE 47 -12.211 -1.294 0.587 359 HA PHE 47 HA PHE 47 -11.551 -1.703 3.446 360 1HB PHE 47 1HB PHE 47 -10.077 -0.400 1.215 361 2HB PHE 47 2HB PHE 47 -10.312 0.640 2.583 362 HD1 PHE 47 HD1 PHE 47 -8.067 0.812 3.291 363 HD2 PHE 47 HD2 PHE 47 -9.789 -3.122 2.819 364 HE1 PHE 47 HE1 PHE 47 -6.169 -0.183 4.534 365 HE2 PHE 47 HE2 PHE 47 -7.922 -4.087 4.088 366 HZ PHE 47 HZ PHE 47 -6.095 -2.633 4.943 367 H VAL 48 H VAL 48 -11.654 0.691 4.443 368 HA VAL 48 HA VAL 48 -14.119 1.992 3.705 369 HB VAL 48 HB VAL 48 -13.611 0.828 6.485 370 1HG1 VAL 48 1HG1 VAL 48 -15.877 1.694 7.017 371 2HG1 VAL 48 2HG1 VAL 48 -14.756 2.989 6.616 372 3HG1 VAL 48 3HG1 VAL 48 -15.944 2.461 5.404 373 1HG2 VAL 48 1HG2 VAL 48 -15.722 0.086 4.403 374 2HG2 VAL 48 2HG2 VAL 48 -14.413 -0.954 5.001 375 3HG2 VAL 48 3HG2 VAL 48 -15.709 -0.479 6.090 376 H CYS 49 H CYS 49 -13.844 4.220 4.017 377 HA CYS 49 HA CYS 49 -11.193 5.143 4.785 378 1HB CYS 49 1HB CYS 49 -12.147 7.392 4.429 379 2HB CYS 49 2HB CYS 49 -12.410 6.331 3.059 380 HA PRO 50 HA PRO 50 -11.837 5.382 9.090 381 1HB PRO 50 1HB PRO 50 -10.561 7.710 9.901 382 2HB PRO 50 2HB PRO 50 -9.745 6.185 9.445 383 1HG PRO 50 1HG PRO 50 -10.254 8.618 7.713 384 2HG PRO 50 2HG PRO 50 -8.737 7.678 7.889 385 1HD PRO 50 1HD PRO 50 -10.396 7.262 5.798 386 2HD PRO 50 2HD PRO 50 -9.606 5.875 6.606 387 H TRP 51 H TRP 51 -12.884 8.218 7.245 388 HA TRP 51 HA TRP 51 -14.655 9.329 9.186 389 1HB TRP 51 1HB TRP 51 -14.044 10.543 7.163 390 2HB TRP 51 2HB TRP 51 -14.793 9.312 6.149 391 HD1 TRP 51 HD1 TRP 51 -15.768 11.973 8.767 392 HE1 TRP 51 HE1 TRP 51 -18.230 12.638 8.438 393 HE3 TRP 51 HE3 TRP 51 -16.986 8.786 4.947 394 HZ2 TRP 51 HZ2 TRP 51 -20.451 11.850 6.788 395 HZ3 TRP 51 HZ3 TRP 51 -19.285 8.761 4.024 396 HH2 TRP 51 HH2 TRP 51 -21.024 10.277 4.943 397 H CYS 52 H CYS 52 -15.357 6.974 6.490 398 HA CYS 52 HA CYS 52 -18.008 6.396 7.370 399 1HB CYS 52 1HB CYS 52 -15.997 4.922 5.652 400 2HB CYS 52 2HB CYS 52 -17.553 4.223 6.066 401 H ALA 53 H ALA 53 -14.844 4.922 8.273 402 HA ALA 53 HA ALA 53 -15.945 2.767 9.778 403 1HB ALA 53 1HB ALA 53 -13.539 2.980 9.141 404 2HB ALA 53 2HB ALA 53 -13.368 4.293 10.335 405 3HB ALA 53 3HB ALA 53 -13.775 2.656 10.871 406 H THR 54 H THR 54 -15.243 6.155 10.685 407 HA THR 54 HA THR 54 -16.019 5.836 13.448 408 HB THR 54 HB THR 54 -15.766 8.391 11.798 409 HG1 THR 54 HG1 THR 54 -13.842 7.314 11.583 410 1HG2 THR 54 1HG2 THR 54 -15.103 9.403 13.963 411 2HG2 THR 54 2HG2 THR 54 -15.421 7.860 14.784 412 3HG2 THR 54 3HG2 THR 54 -16.755 8.765 14.032 413 H ASN 55 H ASN 55 -17.690 6.942 10.498 414 HA ASN 55 HA ASN 55 -20.114 7.759 11.958 415 1HB ASN 55 1HB ASN 55 -19.441 7.636 8.985 416 2HB ASN 55 2HB ASN 55 -21.022 8.100 9.609 417 1HD2 ASN 55 1HD2 ASN 55 -17.549 8.943 9.938 418 2HD2 ASN 55 2HD2 ASN 55 -17.865 10.607 10.395 419 H GLN 56 H GLN 56 -18.880 4.918 10.700 420 HA GLN 56 HA GLN 56 -19.446 2.885 10.436 421 1HB GLN 56 1HB GLN 56 -21.009 1.661 11.632 422 2HB GLN 56 2HB GLN 56 -20.053 2.749 12.658 423 1HG GLN 56 1HG GLN 56 -21.833 4.272 12.869 424 2HG GLN 56 2HG GLN 56 -22.781 3.443 11.599 425 1HE2 GLN 56 1HE2 GLN 56 -24.634 2.870 12.831 426 2HE2 GLN 56 2HE2 GLN 56 -24.523 1.824 14.247 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 10.655 6.918 -11.744 2 1HA GLY 1 1HA GLY 1 12.287 7.890 -13.991 3 2HA GLY 1 2HA GLY 1 10.555 7.478 -14.080 4 H SER 2 H SER 2 9.765 9.669 -14.492 5 HA SER 2 HA SER 2 10.411 11.898 -12.969 6 1HB SER 2 1HB SER 2 7.678 11.296 -14.144 7 2HB SER 2 2HB SER 2 8.501 12.862 -13.999 8 HG SER 2 HG SER 2 8.707 12.127 -16.108 9 H HIS 3 H HIS 3 8.601 9.109 -12.004 10 HA HIS 3 HA HIS 3 8.252 10.249 -9.339 11 1HB HIS 3 1HB HIS 3 6.169 8.554 -10.793 12 2HB HIS 3 2HB HIS 3 6.204 8.795 -9.052 13 HD1 HIS 3 HD1 HIS 3 6.997 12.097 -10.432 14 HD2 HIS 3 HD2 HIS 3 3.575 9.677 -9.955 15 HE1 HIS 3 HE1 HIS 3 4.961 13.656 -10.514 16 H MET 4 H MET 4 8.149 8.271 -7.764 17 HA MET 4 HA MET 4 10.417 6.602 -8.558 18 1HB MET 4 1HB MET 4 10.823 6.264 -6.291 19 2HB MET 4 2HB MET 4 10.365 7.951 -6.417 20 1HG MET 4 1HG MET 4 8.694 5.633 -5.377 21 2HG MET 4 2HG MET 4 9.412 6.917 -4.430 22 1HE MET 4 1HE MET 4 8.703 9.611 -5.898 23 2HE MET 4 2HE MET 4 7.146 10.000 -5.137 24 3HE MET 4 3HE MET 4 8.468 9.328 -4.158 25 H ALA 5 H ALA 5 10.515 4.337 -8.205 26 HA ALA 5 HA ALA 5 8.216 2.907 -7.278 27 1HB ALA 5 1HB ALA 5 8.478 1.149 -9.025 28 2HB ALA 5 2HB ALA 5 7.920 2.678 -9.732 29 3HB ALA 5 3HB ALA 5 9.623 2.187 -9.901 30 H GLU 6 H GLU 6 9.073 1.219 -5.884 31 HA GLU 6 HA GLU 6 11.998 0.988 -5.700 32 1HB GLU 6 1HB GLU 6 9.964 1.868 -3.600 33 2HB GLU 6 2HB GLU 6 11.599 1.370 -3.192 34 1HG GLU 6 1HG GLU 6 12.576 3.257 -4.312 35 2HG GLU 6 2HG GLU 6 11.048 3.706 -5.071 36 HA PRO 7 HA PRO 7 10.515 -3.188 -4.346 37 1HB PRO 7 1HB PRO 7 12.279 -3.782 -2.351 38 2HB PRO 7 2HB PRO 7 12.716 -3.887 -4.086 39 1HG PRO 7 1HG PRO 7 13.315 -1.646 -2.138 40 2HG PRO 7 2HG PRO 7 14.417 -2.408 -3.330 41 1HD PRO 7 1HD PRO 7 13.115 -0.046 -3.793 42 2HD PRO 7 2HD PRO 7 13.455 -1.192 -5.114 43 H GLN 8 H GLN 8 9.178 -3.870 -2.715 44 HA GLN 8 HA GLN 8 7.605 -3.797 -1.410 45 1HB GLN 8 1HB GLN 8 9.417 -2.214 0.323 46 2HB GLN 8 2HB GLN 8 7.965 -3.156 0.789 47 1HG GLN 8 1HG GLN 8 10.603 -4.218 -0.215 48 2HG GLN 8 2HG GLN 8 9.904 -4.403 1.386 49 1HE2 GLN 8 1HE2 GLN 8 7.307 -5.359 1.030 50 2HE2 GLN 8 2HE2 GLN 8 7.489 -6.920 0.232 51 H ARG 9 H ARG 9 8.757 -0.362 -1.207 52 HA ARG 9 HA ARG 9 6.400 0.627 -0.375 53 1HB ARG 9 1HB ARG 9 8.722 1.642 -0.434 54 2HB ARG 9 2HB ARG 9 8.321 2.286 -2.012 55 1HG ARG 9 1HG ARG 9 6.137 2.936 -0.658 56 2HG ARG 9 2HG ARG 9 7.277 2.837 0.633 57 1HD ARG 9 1HD ARG 9 7.522 4.483 -1.773 58 2HD ARG 9 2HD ARG 9 7.116 5.058 -0.121 59 HE ARG 9 HE ARG 9 9.653 4.736 -1.305 60 1HH1 ARG 9 1HH1 ARG 9 8.419 3.381 1.965 61 2HH1 ARG 9 2HH1 ARG 9 9.976 3.532 2.591 62 1HH2 ARG 9 1HH2 ARG 9 11.591 4.381 -0.426 63 2HH2 ARG 9 2HH2 ARG 9 11.843 4.035 1.272 64 H HIS 10 H HIS 10 4.646 0.152 -1.281 65 HA HIS 10 HA HIS 10 4.142 1.045 -4.138 66 1HB HIS 10 1HB HIS 10 2.869 -1.313 -2.756 67 2HB HIS 10 2HB HIS 10 2.568 -0.787 -4.404 68 HD1 HIS 10 HD1 HIS 10 4.123 -3.575 -3.133 69 HD2 HIS 10 HD2 HIS 10 5.794 -0.320 -5.143 70 HE1 HIS 10 HE1 HIS 10 6.229 -4.422 -4.257 71 H LYS 11 H LYS 11 2.067 1.862 -4.649 72 HA LYS 11 HA LYS 11 0.642 3.024 -2.301 73 1HB LYS 11 1HB LYS 11 1.620 4.434 -4.803 74 2HB LYS 11 2HB LYS 11 0.352 5.040 -3.743 75 1HG LYS 11 1HG LYS 11 2.175 6.106 -2.927 76 2HG LYS 11 2HG LYS 11 1.933 4.836 -1.781 77 1HD LYS 11 1HD LYS 11 4.315 5.291 -2.212 78 2HD LYS 11 2HD LYS 11 3.887 3.629 -2.534 79 1HE LYS 11 1HE LYS 11 3.778 4.192 -5.001 80 2HE LYS 11 2HE LYS 11 4.341 5.821 -4.602 81 1HZ LYS 11 1HZ LYS 11 5.869 3.324 -4.037 82 2HZ LYS 11 2HZ LYS 11 6.375 4.867 -3.761 83 3HZ LYS 11 3HZ LYS 11 6.139 4.357 -5.295 84 H ILE 12 H ILE 12 -0.787 1.516 -2.386 85 HA ILE 12 HA ILE 12 -2.106 0.763 -4.961 86 HB ILE 12 HB ILE 12 -2.486 -0.589 -2.266 87 1HG1 ILE 12 1HG1 ILE 12 -0.680 -1.424 -4.578 88 2HG1 ILE 12 2HG1 ILE 12 -0.137 -0.812 -3.012 89 1HG2 ILE 12 1HG2 ILE 12 -4.369 -0.815 -3.880 90 2HG2 ILE 12 2HG2 ILE 12 -3.238 -1.403 -5.113 91 3HG2 ILE 12 3HG2 ILE 12 -3.553 -2.349 -3.638 92 1HD1 ILE 12 1HD1 ILE 12 -1.535 -3.449 -3.540 93 2HD1 ILE 12 2HD1 ILE 12 0.082 -3.160 -2.879 94 3HD1 ILE 12 3HD1 ILE 12 -1.340 -2.756 -1.910 95 H LEU 13 H LEU 13 -3.434 2.449 -5.381 96 HA LEU 13 HA LEU 13 -5.150 3.664 -3.443 97 1HB LEU 13 1HB LEU 13 -4.221 4.689 -5.535 98 2HB LEU 13 2HB LEU 13 -5.416 3.795 -6.468 99 HG LEU 13 HG LEU 13 -6.504 5.309 -4.103 100 1HD1 LEU 13 1HD1 LEU 13 -5.232 6.714 -6.473 101 2HD1 LEU 13 2HD1 LEU 13 -4.785 6.849 -4.757 102 3HD1 LEU 13 3HD1 LEU 13 -6.335 7.492 -5.325 103 1HD2 LEU 13 1HD2 LEU 13 -8.014 4.216 -5.736 104 2HD2 LEU 13 2HD2 LEU 13 -7.334 5.213 -7.040 105 3HD2 LEU 13 3HD2 LEU 13 -8.249 5.966 -5.718 106 H CYS 14 H CYS 14 -6.373 2.241 -2.409 107 HA CYS 14 HA CYS 14 -8.266 0.453 -3.829 108 1HB CYS 14 1HB CYS 14 -7.058 -0.236 -1.717 109 2HB CYS 14 2HB CYS 14 -7.907 1.044 -0.845 110 HG CYS 14 HG CYS 14 -10.333 0.080 -1.155 111 H VAL 15 H VAL 15 -10.625 0.751 -2.999 112 HA VAL 15 HA VAL 15 -11.210 3.535 -2.242 113 HB VAL 15 HB VAL 15 -13.392 3.373 -3.398 114 1HG1 VAL 15 1HG1 VAL 15 -10.972 3.230 -5.242 115 2HG1 VAL 15 2HG1 VAL 15 -12.552 3.961 -5.605 116 3HG1 VAL 15 3HG1 VAL 15 -11.531 4.661 -4.344 117 1HG2 VAL 15 1HG2 VAL 15 -12.189 0.988 -4.881 118 2HG2 VAL 15 2HG2 VAL 15 -13.515 0.898 -3.696 119 3HG2 VAL 15 3HG2 VAL 15 -13.739 1.780 -5.212 120 H CYS 16 H CYS 16 -12.958 3.776 -0.883 121 HA CYS 16 HA CYS 16 -13.524 1.626 1.015 122 1HB CYS 16 1HB CYS 16 -13.390 4.075 1.620 123 2HB CYS 16 2HB CYS 16 -14.792 4.362 0.586 124 H CYS 17 H CYS 17 -14.801 0.005 0.190 125 HA CYS 17 HA CYS 17 -16.443 0.148 -2.027 126 1HB CYS 17 1HB CYS 17 -15.404 -1.875 -0.934 127 2HB CYS 17 2HB CYS 17 -16.740 -1.866 0.235 128 HG CYS 17 HG CYS 17 -18.543 -1.742 -1.832 129 H LYS 18 H LYS 18 -17.391 1.667 0.897 130 HA LYS 18 HA LYS 18 -20.246 1.406 0.140 131 1HB LYS 18 1HB LYS 18 -20.678 2.187 2.463 132 2HB LYS 18 2HB LYS 18 -20.124 0.523 2.238 133 1HG LYS 18 1HG LYS 18 -17.983 0.997 3.157 134 2HG LYS 18 2HG LYS 18 -18.232 2.743 3.055 135 1HD LYS 18 1HD LYS 18 -18.413 1.661 5.366 136 2HD LYS 18 2HD LYS 18 -19.676 2.796 4.929 137 1HE LYS 18 1HE LYS 18 -21.049 0.747 4.151 138 2HE LYS 18 2HE LYS 18 -19.855 -0.242 5.015 139 1HZ LYS 18 1HZ LYS 18 -21.867 0.452 6.344 140 2HZ LYS 18 2HZ LYS 18 -21.277 2.023 6.297 141 3HZ LYS 18 3HZ LYS 18 -20.429 0.958 7.031 142 H CYS 19 H CYS 19 -17.614 3.829 0.406 143 HA CYS 19 HA CYS 19 -19.671 5.766 -0.502 144 1HB CYS 19 1HB CYS 19 -18.364 7.437 0.530 145 2HB CYS 19 2HB CYS 19 -18.808 6.235 1.734 146 H ASP 20 H ASP 20 -17.185 3.877 -1.676 147 HA ASP 20 HA ASP 20 -15.738 3.878 -3.300 148 1HB ASP 20 1HB ASP 20 -17.758 4.511 -4.613 149 2HB ASP 20 2HB ASP 20 -17.239 6.193 -4.512 150 H GLY 21 H GLY 21 -15.368 5.644 -0.911 151 1HA GLY 21 1HA GLY 21 -13.927 7.996 -1.754 152 2HA GLY 21 2HA GLY 21 -13.903 7.344 -0.116 153 H ARG 22 H ARG 22 -11.834 8.365 -1.843 154 HA ARG 22 HA ARG 22 -10.140 6.320 -2.947 155 1HB ARG 22 1HB ARG 22 -10.220 8.595 -3.781 156 2HB ARG 22 2HB ARG 22 -9.717 9.268 -2.238 157 1HG ARG 22 1HG ARG 22 -7.910 7.355 -3.731 158 2HG ARG 22 2HG ARG 22 -8.064 9.035 -4.250 159 1HD ARG 22 1HD ARG 22 -7.534 9.551 -1.683 160 2HD ARG 22 2HD ARG 22 -6.824 7.942 -1.734 161 HE ARG 22 HE ARG 22 -5.064 8.754 -3.089 162 1HH1 ARG 22 1HH1 ARG 22 -7.539 11.288 -2.882 163 2HH1 ARG 22 2HH1 ARG 22 -6.505 12.499 -3.573 164 1HH2 ARG 22 1HH2 ARG 22 -3.803 10.183 -3.906 165 2HH2 ARG 22 2HH2 ARG 22 -4.239 11.866 -4.215 166 H ILE 23 H ILE 23 -8.843 4.895 -1.807 167 HA ILE 23 HA ILE 23 -7.643 5.933 0.694 168 HB ILE 23 HB ILE 23 -8.164 2.982 0.312 169 1HG1 ILE 23 1HG1 ILE 23 -10.108 4.865 1.697 170 2HG1 ILE 23 2HG1 ILE 23 -10.395 4.062 0.148 171 1HG2 ILE 23 1HG2 ILE 23 -7.880 4.750 2.785 172 2HG2 ILE 23 2HG2 ILE 23 -7.775 2.974 2.710 173 3HG2 ILE 23 3HG2 ILE 23 -6.514 3.965 1.982 174 1HD1 ILE 23 1HD1 ILE 23 -10.009 2.607 2.778 175 2HD1 ILE 23 2HD1 ILE 23 -11.509 2.810 1.872 176 3HD1 ILE 23 3HD1 ILE 23 -10.200 1.855 1.169 177 H GLU 24 H GLU 24 -5.632 6.502 -0.023 178 HA GLU 24 HA GLU 24 -4.249 4.882 -2.022 179 1HB GLU 24 1HB GLU 24 -4.387 7.401 -1.898 180 2HB GLU 24 2HB GLU 24 -3.203 7.351 -0.597 181 1HG GLU 24 1HG GLU 24 -1.544 6.346 -2.058 182 2HG GLU 24 2HG GLU 24 -2.755 5.994 -3.300 183 H LEU 25 H LEU 25 -3.789 2.899 -1.072 184 HA LEU 25 HA LEU 25 -2.716 2.747 1.612 185 1HB LEU 25 1HB LEU 25 -2.777 0.532 -0.445 186 2HB LEU 25 2HB LEU 25 -2.685 0.383 1.294 187 HG LEU 25 HG LEU 25 -5.104 1.423 -0.262 188 1HD1 LEU 25 1HD1 LEU 25 -4.718 -0.933 -0.712 189 2HD1 LEU 25 2HD1 LEU 25 -6.112 -0.751 0.372 190 3HD1 LEU 25 3HD1 LEU 25 -4.541 -1.273 1.026 191 1HD2 LEU 25 1HD2 LEU 25 -4.955 2.306 2.079 192 2HD2 LEU 25 2HD2 LEU 25 -4.816 0.644 2.685 193 3HD2 LEU 25 3HD2 LEU 25 -6.303 1.175 1.873 194 H THR 26 H THR 26 -0.822 4.094 1.423 195 HA THR 26 HA THR 26 1.492 3.211 -0.068 196 HB THR 26 HB THR 26 1.343 4.744 2.556 197 HG1 THR 26 HG1 THR 26 1.329 6.533 1.250 198 1HG2 THR 26 1HG2 THR 26 3.624 3.883 2.064 199 2HG2 THR 26 2HG2 THR 26 3.554 5.637 1.850 200 3HG2 THR 26 3HG2 THR 26 3.536 4.569 0.428 201 H VAL 27 H VAL 27 1.880 1.006 0.105 202 HA VAL 27 HA VAL 27 2.368 -0.073 2.811 203 HB VAL 27 HB VAL 27 1.265 -2.199 2.205 204 1HG1 VAL 27 1HG1 VAL 27 0.237 -0.518 3.695 205 2HG1 VAL 27 2HG1 VAL 27 -0.586 0.213 2.308 206 3HG1 VAL 27 3HG1 VAL 27 -0.979 -1.448 2.802 207 1HG2 VAL 27 1HG2 VAL 27 1.049 -2.015 -0.251 208 2HG2 VAL 27 2HG2 VAL 27 -0.518 -2.266 0.521 209 3HG2 VAL 27 3HG2 VAL 27 -0.069 -0.657 -0.063 210 H GLU 28 H GLU 28 4.171 -1.062 3.005 211 HA GLU 28 HA GLU 28 5.873 -1.434 0.708 212 1HB GLU 28 1HB GLU 28 6.304 -1.211 3.630 213 2HB GLU 28 2HB GLU 28 7.423 -2.233 2.750 214 1HG GLU 28 1HG GLU 28 8.430 -0.154 2.687 215 2HG GLU 28 2HG GLU 28 7.738 -0.298 1.132 216 H SER 29 H SER 29 5.198 -3.095 -0.471 217 HA SER 29 HA SER 29 4.323 -5.658 0.775 218 1HB SER 29 1HB SER 29 2.466 -5.423 -0.970 219 2HB SER 29 2HB SER 29 2.396 -4.294 0.394 220 HG SER 29 HG SER 29 3.154 -2.648 -0.895 221 H SER 30 H SER 30 4.702 -7.501 -0.650 222 HA SER 30 HA SER 30 7.246 -6.922 -2.015 223 1HB SER 30 1HB SER 30 5.947 -9.617 -1.470 224 2HB SER 30 2HB SER 30 7.635 -9.301 -1.908 225 HG SER 30 HG SER 30 7.349 -9.525 0.361 226 H ALA 31 H ALA 31 4.902 -9.314 -3.168 227 HA ALA 31 HA ALA 31 4.563 -8.153 -5.783 228 1HB ALA 31 1HB ALA 31 6.868 -8.980 -6.177 229 2HB ALA 31 2HB ALA 31 6.498 -10.531 -5.397 230 3HB ALA 31 3HB ALA 31 5.735 -10.128 -6.940 231 H GLU 32 H GLU 32 5.041 -11.318 -4.248 232 HA GLU 32 HA GLU 32 2.668 -12.521 -5.293 233 1HB GLU 32 1HB GLU 32 4.851 -13.606 -4.685 234 2HB GLU 32 2HB GLU 32 4.510 -13.262 -2.978 235 1HG GLU 32 1HG GLU 32 2.435 -14.558 -3.169 236 2HG GLU 32 2HG GLU 32 2.806 -14.977 -4.848 237 H ASP 33 H ASP 33 3.632 -11.039 -2.179 238 HA ASP 33 HA ASP 33 1.157 -11.330 -0.783 239 1HB ASP 33 1HB ASP 33 2.778 -10.822 0.698 240 2HB ASP 33 2HB ASP 33 3.780 -10.010 -0.487 241 H LEU 34 H LEU 34 2.541 -8.676 -2.776 242 HA LEU 34 HA LEU 34 0.330 -6.913 -2.572 243 1HB LEU 34 1HB LEU 34 2.432 -6.128 -3.405 244 2HB LEU 34 2HB LEU 34 2.407 -7.221 -4.781 245 HG LEU 34 HG LEU 34 0.052 -5.350 -4.522 246 1HD1 LEU 34 1HD1 LEU 34 2.784 -4.384 -5.472 247 2HD1 LEU 34 2HD1 LEU 34 1.978 -3.889 -3.967 248 3HD1 LEU 34 3HD1 LEU 34 1.259 -3.471 -5.525 249 1HD2 LEU 34 1HD2 LEU 34 1.781 -6.227 -6.891 250 2HD2 LEU 34 2HD2 LEU 34 0.363 -5.164 -6.990 251 3HD2 LEU 34 3HD2 LEU 34 0.164 -6.840 -6.495 252 H ARG 35 H ARG 35 1.044 -9.462 -4.976 253 HA ARG 35 HA ARG 35 -1.270 -9.070 -6.567 254 1HB ARG 35 1HB ARG 35 0.731 -10.474 -7.171 255 2HB ARG 35 2HB ARG 35 0.185 -11.718 -6.049 256 1HG ARG 35 1HG ARG 35 -1.907 -11.994 -7.310 257 2HG ARG 35 2HG ARG 35 -1.485 -10.624 -8.354 258 1HD ARG 35 1HD ARG 35 0.493 -11.902 -9.197 259 2HD ARG 35 2HD ARG 35 0.033 -13.258 -8.161 260 HE ARG 35 HE ARG 35 -1.583 -13.869 -9.628 261 1HH1 ARG 35 1HH1 ARG 35 -0.655 -10.564 -10.464 262 2HH1 ARG 35 2HH1 ARG 35 -1.630 -10.471 -11.889 263 1HH2 ARG 35 1HH2 ARG 35 -2.910 -13.769 -11.515 264 2HH2 ARG 35 2HH2 ARG 35 -2.928 -12.352 -12.497 265 H THR 36 H THR 36 -0.653 -11.366 -3.883 266 HA THR 36 HA THR 36 -3.217 -12.492 -3.959 267 HB THR 36 HB THR 36 -1.418 -12.184 -1.501 268 HG1 THR 36 HG1 THR 36 -0.200 -13.102 -3.075 269 1HG2 THR 36 1HG2 THR 36 -3.482 -14.323 -2.210 270 2HG2 THR 36 2HG2 THR 36 -3.651 -13.104 -0.924 271 3HG2 THR 36 3HG2 THR 36 -2.399 -14.353 -0.802 272 H LEU 37 H LEU 37 -2.069 -9.701 -1.919 273 HA LEU 37 HA LEU 37 -4.664 -9.409 -0.733 274 1HB LEU 37 1HB LEU 37 -3.894 -7.573 0.397 275 2HB LEU 37 2HB LEU 37 -2.464 -8.549 0.169 276 HG LEU 37 HG LEU 37 -2.108 -6.939 -1.947 277 1HD1 LEU 37 1HD1 LEU 37 -2.834 -4.633 -1.483 278 2HD1 LEU 37 2HD1 LEU 37 -3.703 -5.170 -0.033 279 3HD1 LEU 37 3HD1 LEU 37 -4.257 -5.660 -1.638 280 1HD2 LEU 37 1HD2 LEU 37 -0.540 -7.167 -0.071 281 2HD2 LEU 37 2HD2 LEU 37 -1.543 -6.088 0.917 282 3HD2 LEU 37 3HD2 LEU 37 -0.724 -5.471 -0.537 283 H GLN 38 H GLN 38 -3.272 -8.168 -3.802 284 HA GLN 38 HA GLN 38 -5.336 -6.288 -4.363 285 1HB GLN 38 1HB GLN 38 -3.306 -6.133 -5.544 286 2HB GLN 38 2HB GLN 38 -3.312 -7.824 -5.980 287 1HG GLN 38 1HG GLN 38 -5.377 -7.315 -7.436 288 2HG GLN 38 2HG GLN 38 -4.913 -5.615 -7.243 289 1HE2 GLN 38 1HE2 GLN 38 -2.463 -5.183 -7.749 290 2HE2 GLN 38 2HE2 GLN 38 -1.742 -6.183 -9.000 291 H GLN 39 H GLN 39 -4.962 -9.861 -4.938 292 HA GLN 39 HA GLN 39 -7.283 -10.125 -6.561 293 1HB GLN 39 1HB GLN 39 -6.260 -12.260 -4.698 294 2HB GLN 39 2HB GLN 39 -7.276 -12.443 -6.117 295 1HG GLN 39 1HG GLN 39 -4.344 -11.976 -5.936 296 2HG GLN 39 2HG GLN 39 -5.224 -13.166 -6.858 297 1HE2 GLN 39 1HE2 GLN 39 -3.803 -10.071 -6.856 298 2HE2 GLN 39 2HE2 GLN 39 -4.128 -9.561 -8.500 299 H LEU 40 H LEU 40 -6.774 -10.502 -3.019 300 HA LEU 40 HA LEU 40 -9.476 -11.148 -2.380 301 1HB LEU 40 1HB LEU 40 -7.334 -9.756 -0.722 302 2HB LEU 40 2HB LEU 40 -8.870 -10.323 -0.074 303 HG LEU 40 HG LEU 40 -6.799 -12.141 -1.386 304 1HD1 LEU 40 1HD1 LEU 40 -5.958 -11.149 0.705 305 2HD1 LEU 40 2HD1 LEU 40 -6.291 -12.874 0.906 306 3HD1 LEU 40 3HD1 LEU 40 -7.428 -11.674 1.559 307 1HD2 LEU 40 1HD2 LEU 40 -9.353 -12.765 0.164 308 2HD2 LEU 40 2HD2 LEU 40 -8.122 -13.959 -0.303 309 3HD2 LEU 40 3HD2 LEU 40 -9.035 -13.115 -1.552 310 H PHE 41 H PHE 41 -7.845 -7.958 -2.607 311 HA PHE 41 HA PHE 41 -10.148 -6.522 -1.621 312 1HB PHE 41 1HB PHE 41 -7.588 -5.623 -2.974 313 2HB PHE 41 2HB PHE 41 -8.856 -4.522 -2.476 314 HD1 PHE 41 HD1 PHE 41 -7.299 -3.217 -1.133 315 HD2 PHE 41 HD2 PHE 41 -8.022 -7.377 -0.173 316 HE1 PHE 41 HE1 PHE 41 -6.098 -2.980 1.004 317 HE2 PHE 41 HE2 PHE 41 -6.795 -7.103 1.921 318 HZ PHE 41 HZ PHE 41 -5.812 -4.911 2.523 319 H LEU 42 H LEU 42 -9.071 -7.573 -4.829 320 HA LEU 42 HA LEU 42 -11.103 -6.009 -6.255 321 1HB LEU 42 1HB LEU 42 -9.298 -8.357 -6.949 322 2HB LEU 42 2HB LEU 42 -10.518 -7.769 -8.069 323 HG LEU 42 HG LEU 42 -8.257 -6.032 -6.986 324 1HD1 LEU 42 1HD1 LEU 42 -7.440 -7.929 -8.379 325 2HD1 LEU 42 2HD1 LEU 42 -7.205 -6.365 -9.180 326 3HD1 LEU 42 3HD1 LEU 42 -8.533 -7.433 -9.684 327 1HD2 LEU 42 1HD2 LEU 42 -10.252 -5.581 -9.252 328 2HD2 LEU 42 2HD2 LEU 42 -8.852 -4.547 -8.890 329 3HD2 LEU 42 3HD2 LEU 42 -10.169 -4.679 -7.723 330 H SER 43 H SER 43 -10.815 -9.283 -4.872 331 HA SER 43 HA SER 43 -13.088 -10.403 -6.112 332 1HB SER 43 1HB SER 43 -11.327 -11.776 -5.173 333 2HB SER 43 2HB SER 43 -11.525 -11.063 -3.579 334 HG SER 43 HG SER 43 -13.286 -12.817 -4.919 335 H THR 44 H THR 44 -12.725 -9.471 -2.679 336 HA THR 44 HA THR 44 -15.580 -9.086 -2.396 337 HB THR 44 HB THR 44 -15.335 -10.970 -0.501 338 HG1 THR 44 HG1 THR 44 -13.547 -11.972 -2.484 339 1HG2 THR 44 1HG2 THR 44 -16.938 -11.088 -2.368 340 2HG2 THR 44 2HG2 THR 44 -16.223 -12.663 -1.965 341 3HG2 THR 44 3HG2 THR 44 -15.676 -11.786 -3.407 342 H LEU 45 H LEU 45 -12.394 -9.249 -0.837 343 HA LEU 45 HA LEU 45 -13.315 -8.019 1.638 344 1HB LEU 45 1HB LEU 45 -11.325 -9.515 1.462 345 2HB LEU 45 2HB LEU 45 -10.535 -8.330 0.419 346 HG LEU 45 HG LEU 45 -10.377 -6.728 2.249 347 1HD1 LEU 45 1HD1 LEU 45 -12.409 -7.211 3.565 348 2HD1 LEU 45 2HD1 LEU 45 -10.985 -7.387 4.582 349 3HD1 LEU 45 3HD1 LEU 45 -11.799 -8.835 3.951 350 1HD2 LEU 45 1HD2 LEU 45 -9.494 -9.503 3.166 351 2HD2 LEU 45 2HD2 LEU 45 -8.768 -7.944 3.617 352 3HD2 LEU 45 3HD2 LEU 45 -8.654 -8.532 1.948 353 H SER 46 H SER 46 -12.978 -5.689 2.228 354 HA SER 46 HA SER 46 -11.699 -4.016 0.281 355 1HB SER 46 1HB SER 46 -13.538 -2.354 0.485 356 2HB SER 46 2HB SER 46 -13.947 -3.816 -0.444 357 HG SER 46 HG SER 46 -15.099 -4.568 1.296 358 H PHE 47 H PHE 47 -11.394 -1.855 1.317 359 HA PHE 47 HA PHE 47 -10.112 -2.586 3.836 360 1HB PHE 47 1HB PHE 47 -9.099 -1.517 1.674 361 2HB PHE 47 2HB PHE 47 -9.679 -0.006 2.340 362 HD1 PHE 47 HD1 PHE 47 -8.479 1.077 4.111 363 HD2 PHE 47 HD2 PHE 47 -7.526 -2.984 3.059 364 HE1 PHE 47 HE1 PHE 47 -6.444 1.191 5.538 365 HE2 PHE 47 HE2 PHE 47 -5.486 -2.872 4.479 366 HZ PHE 47 HZ PHE 47 -4.942 -0.785 5.715 367 H VAL 48 H VAL 48 -12.579 -0.340 2.853 368 HA VAL 48 HA VAL 48 -13.880 1.183 3.814 369 HB VAL 48 HB VAL 48 -13.275 -0.198 6.443 370 1HG1 VAL 48 1HG1 VAL 48 -14.371 1.989 6.775 371 2HG1 VAL 48 2HG1 VAL 48 -15.609 1.571 5.567 372 3HG1 VAL 48 3HG1 VAL 48 -15.506 0.682 7.102 373 1HG2 VAL 48 1HG2 VAL 48 -15.379 -1.444 5.981 374 2HG2 VAL 48 2HG2 VAL 48 -15.453 -0.715 4.361 375 3HG2 VAL 48 3HG2 VAL 48 -14.130 -1.821 4.798 376 H CYS 49 H CYS 49 -13.383 3.296 3.787 377 HA CYS 49 HA CYS 49 -10.833 4.252 4.746 378 1HB CYS 49 1HB CYS 49 -11.671 6.458 4.101 379 2HB CYS 49 2HB CYS 49 -11.965 5.284 2.835 380 HA PRO 50 HA PRO 50 -11.854 5.019 8.955 381 1HB PRO 50 1HB PRO 50 -10.554 7.383 9.580 382 2HB PRO 50 2HB PRO 50 -9.760 5.791 9.389 383 1HG PRO 50 1HG PRO 50 -10.030 8.001 7.333 384 2HG PRO 50 2HG PRO 50 -8.568 7.054 7.759 385 1HD PRO 50 1HD PRO 50 -10.058 6.419 5.596 386 2HD PRO 50 2HD PRO 50 -9.379 5.128 6.631 387 H TRP 51 H TRP 51 -12.618 7.574 6.636 388 HA TRP 51 HA TRP 51 -14.459 9.084 8.209 389 1HB TRP 51 1HB TRP 51 -13.583 9.768 5.996 390 2HB TRP 51 2HB TRP 51 -14.538 8.496 5.232 391 HD1 TRP 51 HD1 TRP 51 -16.916 9.161 4.545 392 HE1 TRP 51 HE1 TRP 51 -18.580 10.997 5.156 393 HE3 TRP 51 HE3 TRP 51 -14.220 11.525 8.188 394 HZ2 TRP 51 HZ2 TRP 51 -18.744 13.230 6.996 395 HZ3 TRP 51 HZ3 TRP 51 -15.173 13.480 9.390 396 HH2 TRP 51 HH2 TRP 51 -17.430 14.335 8.801 397 H CYS 52 H CYS 52 -15.004 6.223 6.068 398 HA CYS 52 HA CYS 52 -17.766 5.919 6.906 399 1HB CYS 52 1HB CYS 52 -15.822 4.170 5.386 400 2HB CYS 52 2HB CYS 52 -17.426 3.611 5.869 401 H ALA 53 H ALA 53 -14.650 4.468 8.058 402 HA ALA 53 HA ALA 53 -15.887 2.737 9.944 403 1HB ALA 53 1HB ALA 53 -13.783 2.715 11.113 404 2HB ALA 53 2HB ALA 53 -13.431 2.782 9.374 405 3HB ALA 53 3HB ALA 53 -13.287 4.247 10.387 406 H THR 54 H THR 54 -15.405 6.241 10.068 407 HA THR 54 HA THR 54 -16.249 6.497 12.846 408 HB THR 54 HB THR 54 -15.962 8.631 10.687 409 HG1 THR 54 HG1 THR 54 -14.003 7.553 10.895 410 1HG2 THR 54 1HG2 THR 54 -15.524 10.141 12.586 411 2HG2 THR 54 2HG2 THR 54 -15.841 8.815 13.725 412 3HG2 THR 54 3HG2 THR 54 -17.147 9.441 12.693 413 H ASN 55 H ASN 55 -17.769 7.016 9.631 414 HA ASN 55 HA ASN 55 -20.211 8.118 10.814 415 1HB ASN 55 1HB ASN 55 -19.405 7.437 7.953 416 2HB ASN 55 2HB ASN 55 -21.028 7.970 8.389 417 1HD2 ASN 55 1HD2 ASN 55 -17.568 8.988 8.699 418 2HD2 ASN 55 2HD2 ASN 55 -17.973 10.702 8.684 419 H GLN 56 H GLN 56 -19.296 5.110 9.277 420 HA GLN 56 HA GLN 56 -19.940 3.128 10.393 421 1HB GLN 56 1HB GLN 56 -22.083 3.817 11.239 422 2HB GLN 56 2HB GLN 56 -22.696 4.036 9.581 423 1HG GLN 56 1HG GLN 56 -23.608 2.011 10.550 424 2HG GLN 56 2HG GLN 56 -22.561 1.590 9.207 425 1HE2 GLN 56 1HE2 GLN 56 -20.220 0.972 9.845 426 2HE2 GLN 56 2HE2 GLN 56 -20.066 0.022 11.344 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 19.305 8.943 -12.322 2 1HA GLY 1 1HA GLY 1 20.929 10.560 -11.862 3 2HA GLY 1 2HA GLY 1 19.720 11.844 -12.145 4 H SER 2 H SER 2 18.450 12.523 -10.397 5 HA SER 2 HA SER 2 17.923 10.947 -8.065 6 1HB SER 2 1HB SER 2 16.048 12.790 -9.609 7 2HB SER 2 2HB SER 2 15.982 12.367 -7.887 8 HG SER 2 HG SER 2 16.922 14.397 -8.131 9 H HIS 3 H HIS 3 15.838 9.647 -7.829 10 HA HIS 3 HA HIS 3 14.541 8.683 -10.230 11 1HB HIS 3 1HB HIS 3 15.062 6.303 -9.648 12 2HB HIS 3 2HB HIS 3 16.468 7.200 -10.206 13 HD1 HIS 3 HD1 HIS 3 15.072 5.531 -6.999 14 HD2 HIS 3 HD2 HIS 3 18.456 7.669 -8.423 15 HE1 HIS 3 HE1 HIS 3 16.883 5.333 -5.238 16 H MET 4 H MET 4 12.670 7.305 -9.593 17 HA MET 4 HA MET 4 12.174 6.656 -6.896 18 1HB MET 4 1HB MET 4 11.267 8.994 -6.913 19 2HB MET 4 2HB MET 4 10.196 8.558 -8.252 20 1HG MET 4 1HG MET 4 9.071 6.896 -6.862 21 2HG MET 4 2HG MET 4 10.219 7.148 -5.548 22 1HE MET 4 1HE MET 4 10.194 9.076 -3.870 23 2HE MET 4 2HE MET 4 10.541 10.234 -5.175 24 3HE MET 4 3HE MET 4 9.222 10.557 -4.033 25 H ALA 5 H ALA 5 10.989 4.810 -7.014 26 HA ALA 5 HA ALA 5 9.193 3.425 -8.204 27 1HB ALA 5 1HB ALA 5 9.576 4.121 -10.488 28 2HB ALA 5 2HB ALA 5 11.305 3.663 -10.372 29 3HB ALA 5 3HB ALA 5 10.052 2.409 -10.304 30 H GLU 6 H GLU 6 9.813 2.180 -6.297 31 HA GLU 6 HA GLU 6 12.224 0.520 -6.688 32 1HB GLU 6 1HB GLU 6 11.550 2.294 -4.284 33 2HB GLU 6 2HB GLU 6 12.746 1.020 -4.257 34 1HG GLU 6 1HG GLU 6 14.102 2.798 -4.759 35 2HG GLU 6 2HG GLU 6 13.818 2.168 -6.340 36 HA PRO 7 HA PRO 7 9.608 -2.730 -4.952 37 1HB PRO 7 1HB PRO 7 11.374 -4.163 -3.422 38 2HB PRO 7 2HB PRO 7 11.377 -4.186 -5.211 39 1HG PRO 7 1HG PRO 7 13.108 -2.514 -3.362 40 2HG PRO 7 2HG PRO 7 13.629 -3.523 -4.755 41 1HD PRO 7 1HD PRO 7 13.273 -0.868 -5.001 42 2HD PRO 7 2HD PRO 7 12.770 -1.960 -6.315 43 H GLN 8 H GLN 8 9.181 -3.736 -2.657 44 HA GLN 8 HA GLN 8 7.989 -3.407 -0.888 45 1HB GLN 8 1HB GLN 8 10.526 -2.087 -0.286 46 2HB GLN 8 2HB GLN 8 9.158 -1.684 0.768 47 1HG GLN 8 1HG GLN 8 10.347 -3.595 1.675 48 2HG GLN 8 2HG GLN 8 8.738 -4.093 1.168 49 1HE2 GLN 8 1HE2 GLN 8 8.552 -5.455 -0.931 50 2HE2 GLN 8 2HE2 GLN 8 10.002 -6.368 -1.315 51 H ARG 9 H ARG 9 8.855 0.024 -1.057 52 HA ARG 9 HA ARG 9 6.288 0.916 -0.455 53 1HB ARG 9 1HB ARG 9 8.547 2.286 -1.918 54 2HB ARG 9 2HB ARG 9 7.015 3.084 -1.686 55 1HG ARG 9 1HG ARG 9 8.484 1.978 0.558 56 2HG ARG 9 2HG ARG 9 8.703 3.621 -0.001 57 1HD ARG 9 1HD ARG 9 6.475 4.262 0.577 58 2HD ARG 9 2HD ARG 9 5.970 2.585 0.819 59 HE ARG 9 HE ARG 9 7.111 2.439 2.857 60 1HH1 ARG 9 1HH1 ARG 9 7.564 5.738 1.646 61 2HH1 ARG 9 2HH1 ARG 9 8.329 6.265 3.113 62 1HH2 ARG 9 1HH2 ARG 9 8.092 2.978 4.513 63 2HH2 ARG 9 2HH2 ARG 9 8.614 4.616 4.926 64 H HIS 10 H HIS 10 4.589 0.268 -1.370 65 HA HIS 10 HA HIS 10 4.193 0.785 -4.325 66 1HB HIS 10 1HB HIS 10 2.992 -1.532 -2.774 67 2HB HIS 10 2HB HIS 10 2.682 -1.140 -4.460 68 HD1 HIS 10 HD1 HIS 10 3.950 -3.915 -3.327 69 HD2 HIS 10 HD2 HIS 10 5.987 -0.730 -5.175 70 HE1 HIS 10 HE1 HIS 10 6.143 -4.864 -4.225 71 H LYS 11 H LYS 11 2.304 1.888 -4.838 72 HA LYS 11 HA LYS 11 0.621 2.753 -2.530 73 1HB LYS 11 1HB LYS 11 1.414 4.455 -4.916 74 2HB LYS 11 2HB LYS 11 0.477 4.931 -3.488 75 1HG LYS 11 1HG LYS 11 2.624 4.184 -2.158 76 2HG LYS 11 2HG LYS 11 3.445 4.325 -3.708 77 1HD LYS 11 1HD LYS 11 1.897 6.528 -2.275 78 2HD LYS 11 2HD LYS 11 3.655 6.371 -2.342 79 1HE LYS 11 1HE LYS 11 3.617 6.706 -4.782 80 2HE LYS 11 2HE LYS 11 1.844 6.749 -4.765 81 1HZ LYS 11 1HZ LYS 11 3.608 8.688 -3.414 82 2HZ LYS 11 2HZ LYS 11 1.964 8.700 -3.361 83 3HZ LYS 11 3HZ LYS 11 2.747 8.962 -4.790 84 H ILE 12 H ILE 12 -0.862 1.107 -2.892 85 HA ILE 12 HA ILE 12 -1.992 0.810 -5.612 86 HB ILE 12 HB ILE 12 -2.589 -0.711 -3.075 87 1HG1 ILE 12 1HG1 ILE 12 -0.798 -1.738 -5.282 88 2HG1 ILE 12 2HG1 ILE 12 -0.160 -0.903 -3.864 89 1HG2 ILE 12 1HG2 ILE 12 -4.408 -0.839 -4.692 90 2HG2 ILE 12 2HG2 ILE 12 -3.273 -1.302 -5.970 91 3HG2 ILE 12 3HG2 ILE 12 -3.603 -2.386 -4.579 92 1HD1 ILE 12 1HD1 ILE 12 -1.728 -3.487 -3.836 93 2HD1 ILE 12 2HD1 ILE 12 -0.058 -3.197 -3.307 94 3HD1 ILE 12 3HD1 ILE 12 -1.384 -2.517 -2.378 95 H LEU 13 H LEU 13 -3.419 2.461 -5.992 96 HA LEU 13 HA LEU 13 -5.085 3.613 -3.964 97 1HB LEU 13 1HB LEU 13 -4.038 4.800 -5.904 98 2HB LEU 13 2HB LEU 13 -5.264 4.100 -6.954 99 HG LEU 13 HG LEU 13 -6.297 5.384 -4.428 100 1HD1 LEU 13 1HD1 LEU 13 -6.002 7.658 -5.309 101 2HD1 LEU 13 2HD1 LEU 13 -5.004 7.015 -6.634 102 3HD1 LEU 13 3HD1 LEU 13 -4.450 6.872 -4.946 103 1HD2 LEU 13 1HD2 LEU 13 -7.869 4.622 -6.197 104 2HD2 LEU 13 2HD2 LEU 13 -7.106 5.740 -7.349 105 3HD2 LEU 13 3HD2 LEU 13 -7.973 6.364 -5.927 106 H CYS 14 H CYS 14 -6.283 1.973 -3.171 107 HA CYS 14 HA CYS 14 -8.470 0.786 -4.753 108 1HB CYS 14 1HB CYS 14 -7.164 -0.460 -2.905 109 2HB CYS 14 2HB CYS 14 -7.933 0.635 -1.744 110 HG CYS 14 HG CYS 14 -9.010 -1.830 -1.849 111 H VAL 15 H VAL 15 -10.578 1.141 -2.943 112 HA VAL 15 HA VAL 15 -10.675 3.949 -2.182 113 HB VAL 15 HB VAL 15 -12.930 4.266 -3.214 114 1HG1 VAL 15 1HG1 VAL 15 -10.742 3.839 -5.281 115 2HG1 VAL 15 2HG1 VAL 15 -12.165 4.895 -5.404 116 3HG1 VAL 15 3HG1 VAL 15 -10.905 5.259 -4.219 117 1HG2 VAL 15 1HG2 VAL 15 -13.516 1.892 -3.634 118 2HG2 VAL 15 2HG2 VAL 15 -13.641 2.882 -5.094 119 3HG2 VAL 15 3HG2 VAL 15 -12.252 1.803 -4.884 120 H CYS 16 H CYS 16 -12.586 4.441 -0.889 121 HA CYS 16 HA CYS 16 -13.312 2.372 1.034 122 1HB CYS 16 1HB CYS 16 -13.289 4.825 1.612 123 2HB CYS 16 2HB CYS 16 -14.644 5.037 0.473 124 H CYS 17 H CYS 17 -14.548 0.760 0.378 125 HA CYS 17 HA CYS 17 -15.867 0.565 -2.038 126 1HB CYS 17 1HB CYS 17 -15.071 -1.256 -0.452 127 2HB CYS 17 2HB CYS 17 -16.603 -1.064 0.430 128 HG CYS 17 HG CYS 17 -16.704 -3.189 -1.075 129 H LYS 18 H LYS 18 -17.188 2.154 0.815 130 HA LYS 18 HA LYS 18 -19.887 2.063 -0.393 131 1HB LYS 18 1HB LYS 18 -20.705 2.614 1.789 132 2HB LYS 18 2HB LYS 18 -19.828 1.075 1.744 133 1HG LYS 18 1HG LYS 18 -18.031 1.944 3.028 134 2HG LYS 18 2HG LYS 18 -18.534 3.621 2.755 135 1HD LYS 18 1HD LYS 18 -19.087 2.845 5.052 136 2HD LYS 18 2HD LYS 18 -20.517 3.334 4.141 137 1HE LYS 18 1HE LYS 18 -21.031 0.972 3.649 138 2HE LYS 18 2HE LYS 18 -19.578 0.452 4.519 139 1HZ LYS 18 1HZ LYS 18 -20.544 1.310 6.538 140 2HZ LYS 18 2HZ LYS 18 -21.656 0.321 5.833 141 3HZ LYS 18 3HZ LYS 18 -21.826 1.955 5.772 142 H CYS 19 H CYS 19 -17.279 4.448 0.171 143 HA CYS 19 HA CYS 19 -19.248 6.467 -0.693 144 1HB CYS 19 1HB CYS 19 -18.175 7.998 0.636 145 2HB CYS 19 2HB CYS 19 -18.526 6.639 1.684 146 H ASP 20 H ASP 20 -16.713 4.666 -1.890 147 HA ASP 20 HA ASP 20 -15.207 4.846 -3.466 148 1HB ASP 20 1HB ASP 20 -17.209 5.629 -4.728 149 2HB ASP 20 2HB ASP 20 -16.683 7.289 -4.450 150 H GLY 21 H GLY 21 -14.875 6.377 -0.891 151 1HA GLY 21 1HA GLY 21 -13.286 8.713 -1.401 152 2HA GLY 21 2HA GLY 21 -13.291 7.786 0.110 153 H ARG 22 H ARG 22 -11.005 8.944 -1.171 154 HA ARG 22 HA ARG 22 -9.539 7.202 -2.876 155 1HB ARG 22 1HB ARG 22 -9.412 9.709 -2.657 156 2HB ARG 22 2HB ARG 22 -8.650 9.533 -1.091 157 1HG ARG 22 1HG ARG 22 -7.480 8.628 -3.752 158 2HG ARG 22 2HG ARG 22 -7.151 10.149 -2.898 159 1HD ARG 22 1HD ARG 22 -6.415 8.588 -0.926 160 2HD ARG 22 2HD ARG 22 -6.274 7.354 -2.175 161 HE ARG 22 HE ARG 22 -4.165 8.639 -1.564 162 1HH1 ARG 22 1HH1 ARG 22 -5.964 9.844 -4.403 163 2HH1 ARG 22 2HH1 ARG 22 -4.548 10.605 -5.054 164 1HH2 ARG 22 1HH2 ARG 22 -2.516 9.495 -2.357 165 2HH2 ARG 22 2HH2 ARG 22 -2.490 10.456 -3.839 166 H ILE 23 H ILE 23 -8.760 5.140 -2.146 167 HA ILE 23 HA ILE 23 -7.283 5.251 0.422 168 HB ILE 23 HB ILE 23 -8.912 2.892 -0.642 169 1HG1 ILE 23 1HG1 ILE 23 -10.328 4.676 0.450 170 2HG1 ILE 23 2HG1 ILE 23 -10.436 3.044 1.101 171 1HG2 ILE 23 1HG2 ILE 23 -8.259 1.803 1.528 172 2HG2 ILE 23 2HG2 ILE 23 -6.932 2.059 0.418 173 3HG2 ILE 23 3HG2 ILE 23 -7.119 3.135 1.810 174 1HD1 ILE 23 1HD1 ILE 23 -9.106 3.649 3.043 175 2HD1 ILE 23 2HD1 ILE 23 -8.818 5.280 2.367 176 3HD1 ILE 23 3HD1 ILE 23 -10.455 4.759 2.834 177 H GLU 24 H GLU 24 -5.587 5.813 -0.448 178 HA GLU 24 HA GLU 24 -4.200 4.017 -2.306 179 1HB GLU 24 1HB GLU 24 -2.415 5.303 -2.136 180 2HB GLU 24 2HB GLU 24 -3.698 6.484 -2.193 181 1HG GLU 24 1HG GLU 24 -3.510 6.606 0.337 182 2HG GLU 24 2HG GLU 24 -2.089 5.535 0.199 183 H LEU 25 H LEU 25 -3.649 2.120 -1.646 184 HA LEU 25 HA LEU 25 -3.006 1.600 1.188 185 1HB LEU 25 1HB LEU 25 -2.644 -0.299 -1.105 186 2HB LEU 25 2HB LEU 25 -2.801 -0.661 0.593 187 HG LEU 25 HG LEU 25 -5.074 0.417 -1.176 188 1HD1 LEU 25 1HD1 LEU 25 -5.917 -1.929 -1.095 189 2HD1 LEU 25 2HD1 LEU 25 -4.396 -2.435 -0.324 190 3HD1 LEU 25 3HD1 LEU 25 -4.388 -1.780 -1.974 191 1HD2 LEU 25 1HD2 LEU 25 -5.284 0.816 1.314 192 2HD2 LEU 25 2HD2 LEU 25 -5.058 -0.916 1.588 193 3HD2 LEU 25 3HD2 LEU 25 -6.494 -0.336 0.713 194 H THR 26 H THR 26 -1.441 3.390 0.995 195 HA THR 26 HA THR 26 1.035 2.803 -0.503 196 HB THR 26 HB THR 26 0.436 4.984 1.506 197 HG1 THR 26 HG1 THR 26 0.157 6.123 -0.377 198 1HG2 THR 26 1HG2 THR 26 3.028 4.159 0.066 199 2HG2 THR 26 2HG2 THR 26 2.794 4.301 1.807 200 3HG2 THR 26 3HG2 THR 26 2.779 5.757 0.800 201 H VAL 27 H VAL 27 1.659 0.876 -0.028 202 HA VAL 27 HA VAL 27 2.182 0.138 2.809 203 HB VAL 27 HB VAL 27 1.775 -2.200 2.136 204 1HG1 VAL 27 1HG1 VAL 27 -0.663 -2.118 2.042 205 2HG1 VAL 27 2HG1 VAL 27 -0.033 -0.908 3.175 206 3HG1 VAL 27 3HG1 VAL 27 -0.613 -0.407 1.575 207 1HG2 VAL 27 1HG2 VAL 27 0.670 -2.810 0.055 208 2HG2 VAL 27 2HG2 VAL 27 0.720 -1.133 -0.520 209 3HG2 VAL 27 3HG2 VAL 27 2.225 -2.050 -0.304 210 H GLU 28 H GLU 28 3.849 -1.716 2.781 211 HA GLU 28 HA GLU 28 5.786 -1.452 0.593 212 1HB GLU 28 1HB GLU 28 6.285 -1.593 3.508 213 2HB GLU 28 2HB GLU 28 7.505 -2.202 2.382 214 1HG GLU 28 1HG GLU 28 7.695 0.012 1.397 215 2HG GLU 28 2HG GLU 28 6.317 0.606 2.322 216 H SER 29 H SER 29 5.784 -3.340 -0.519 217 HA SER 29 HA SER 29 4.909 -5.875 0.793 218 1HB SER 29 1HB SER 29 2.920 -4.750 0.002 219 2HB SER 29 2HB SER 29 3.670 -4.385 -1.555 220 HG SER 29 HG SER 29 3.561 -6.645 -2.060 221 H SER 30 H SER 30 5.142 -7.681 -0.813 222 HA SER 30 HA SER 30 7.296 -7.234 -2.856 223 1HB SER 30 1HB SER 30 6.192 -9.772 -1.546 224 2HB SER 30 2HB SER 30 7.288 -9.767 -2.937 225 HG SER 30 HG SER 30 8.365 -9.932 -0.882 226 H ALA 31 H ALA 31 6.696 -8.668 -4.902 227 HA ALA 31 HA ALA 31 4.311 -7.562 -6.013 228 1HB ALA 31 1HB ALA 31 6.120 -9.804 -7.026 229 2HB ALA 31 2HB ALA 31 4.912 -8.923 -7.983 230 3HB ALA 31 3HB ALA 31 6.325 -8.063 -7.342 231 H GLU 32 H GLU 32 5.118 -10.894 -4.903 232 HA GLU 32 HA GLU 32 2.679 -12.122 -5.698 233 1HB GLU 32 1HB GLU 32 4.731 -12.769 -3.547 234 2HB GLU 32 2HB GLU 32 3.450 -13.883 -4.047 235 1HG GLU 32 1HG GLU 32 4.362 -14.158 -6.232 236 2HG GLU 32 2HG GLU 32 5.412 -12.748 -6.085 237 H ASP 33 H ASP 33 3.742 -10.611 -2.685 238 HA ASP 33 HA ASP 33 1.419 -11.067 -1.082 239 1HB ASP 33 1HB ASP 33 3.618 -10.506 -0.179 240 2HB ASP 33 2HB ASP 33 3.609 -8.957 -1.017 241 H LEU 34 H LEU 34 2.496 -8.301 -3.134 242 HA LEU 34 HA LEU 34 0.214 -6.677 -2.834 243 1HB LEU 34 1HB LEU 34 2.189 -5.823 -3.841 244 2HB LEU 34 2HB LEU 34 2.126 -6.954 -5.180 245 HG LEU 34 HG LEU 34 -0.267 -5.129 -4.795 246 1HD1 LEU 34 1HD1 LEU 34 0.921 -3.311 -6.025 247 2HD1 LEU 34 2HD1 LEU 34 2.420 -4.262 -6.027 248 3HD1 LEU 34 3HD1 LEU 34 1.758 -3.649 -4.506 249 1HD2 LEU 34 1HD2 LEU 34 -0.368 -6.680 -6.682 250 2HD2 LEU 34 2HD2 LEU 34 1.227 -6.157 -7.256 251 3HD2 LEU 34 3HD2 LEU 34 -0.157 -5.045 -7.292 252 H ARG 35 H ARG 35 0.871 -9.284 -5.203 253 HA ARG 35 HA ARG 35 -1.586 -9.011 -6.617 254 1HB ARG 35 1HB ARG 35 0.411 -10.376 -7.356 255 2HB ARG 35 2HB ARG 35 -0.025 -11.609 -6.176 256 1HG ARG 35 1HG ARG 35 -2.187 -11.977 -7.239 257 2HG ARG 35 2HG ARG 35 -1.918 -10.620 -8.352 258 1HD ARG 35 1HD ARG 35 -0.035 -11.823 -9.377 259 2HD ARG 35 2HD ARG 35 -0.274 -13.180 -8.250 260 HE ARG 35 HE ARG 35 -2.743 -12.849 -9.384 261 1HH1 ARG 35 1HH1 ARG 35 0.461 -13.425 -10.737 262 2HH1 ARG 35 2HH1 ARG 35 -0.098 -14.241 -12.157 263 1HH2 ARG 35 1HH2 ARG 35 -3.531 -13.934 -11.258 264 2HH2 ARG 35 2HH2 ARG 35 -2.436 -14.535 -12.447 265 H THR 36 H THR 36 -0.665 -11.135 -3.924 266 HA THR 36 HA THR 36 -3.138 -12.437 -3.590 267 HB THR 36 HB THR 36 -1.080 -11.751 -1.436 268 HG1 THR 36 HG1 THR 36 -0.036 -12.799 -3.063 269 1HG2 THR 36 1HG2 THR 36 -3.178 -13.962 -1.611 270 2HG2 THR 36 2HG2 THR 36 -3.159 -12.612 -0.454 271 3HG2 THR 36 3HG2 THR 36 -1.900 -13.850 -0.377 272 H LEU 37 H LEU 37 -1.933 -9.482 -1.853 273 HA LEU 37 HA LEU 37 -4.378 -9.187 -0.436 274 1HB LEU 37 1HB LEU 37 -3.628 -7.149 0.401 275 2HB LEU 37 2HB LEU 37 -2.324 -8.314 0.383 276 HG LEU 37 HG LEU 37 -1.676 -7.106 -1.883 277 1HD1 LEU 37 1HD1 LEU 37 -2.092 -4.699 -1.826 278 2HD1 LEU 37 2HD1 LEU 37 -3.114 -4.871 -0.396 279 3HD1 LEU 37 3HD1 LEU 37 -3.625 -5.554 -1.957 280 1HD2 LEU 37 1HD2 LEU 37 -0.178 -5.604 -0.609 281 2HD2 LEU 37 2HD2 LEU 37 -0.241 -7.217 0.104 282 3HD2 LEU 37 3HD2 LEU 37 -1.145 -5.889 0.857 283 H GLN 38 H GLN 38 -3.353 -8.157 -3.682 284 HA GLN 38 HA GLN 38 -5.556 -6.437 -4.150 285 1HB GLN 38 1HB GLN 38 -3.437 -6.773 -5.638 286 2HB GLN 38 2HB GLN 38 -4.326 -8.123 -6.347 287 1HG GLN 38 1HG GLN 38 -4.831 -6.348 -7.763 288 2HG GLN 38 2HG GLN 38 -6.243 -6.379 -6.705 289 1HE2 GLN 38 1HE2 GLN 38 -3.087 -4.747 -7.314 290 2HE2 GLN 38 2HE2 GLN 38 -3.549 -3.269 -6.478 291 H GLN 39 H GLN 39 -5.086 -10.007 -4.532 292 HA GLN 39 HA GLN 39 -7.503 -10.589 -5.852 293 1HB GLN 39 1HB GLN 39 -6.198 -12.464 -3.872 294 2HB GLN 39 2HB GLN 39 -7.330 -12.838 -5.154 295 1HG GLN 39 1HG GLN 39 -4.433 -12.165 -5.356 296 2HG GLN 39 2HG GLN 39 -5.285 -13.576 -5.932 297 1HE2 GLN 39 1HE2 GLN 39 -4.261 -10.353 -6.662 298 2HE2 GLN 39 2HE2 GLN 39 -4.855 -10.313 -8.333 299 H LEU 40 H LEU 40 -6.741 -10.513 -2.295 300 HA LEU 40 HA LEU 40 -9.458 -11.213 -1.624 301 1HB LEU 40 1HB LEU 40 -8.950 -10.167 0.618 302 2HB LEU 40 2HB LEU 40 -8.161 -11.640 0.091 303 HG LEU 40 HG LEU 40 -6.240 -9.930 -0.559 304 1HD1 LEU 40 1HD1 LEU 40 -7.499 -7.895 0.290 305 2HD1 LEU 40 2HD1 LEU 40 -5.997 -8.170 1.158 306 3HD1 LEU 40 3HD1 LEU 40 -7.540 -8.635 1.895 307 1HD2 LEU 40 1HD2 LEU 40 -6.757 -11.025 2.220 308 2HD2 LEU 40 2HD2 LEU 40 -5.183 -10.466 1.610 309 3HD2 LEU 40 3HD2 LEU 40 -5.964 -11.868 0.868 310 H PHE 41 H PHE 41 -7.889 -8.051 -1.816 311 HA PHE 41 HA PHE 41 -10.323 -6.607 -1.213 312 1HB PHE 41 1HB PHE 41 -7.865 -5.652 -2.706 313 2HB PHE 41 2HB PHE 41 -9.212 -4.611 -2.274 314 HD1 PHE 41 HD1 PHE 41 -9.940 -5.158 0.468 315 HD2 PHE 41 HD2 PHE 41 -6.012 -5.078 -1.326 316 HE1 PHE 41 HE1 PHE 41 -8.927 -4.807 2.683 317 HE2 PHE 41 HE2 PHE 41 -5.016 -4.738 0.904 318 HZ PHE 41 HZ PHE 41 -6.452 -4.622 2.908 319 H LEU 42 H LEU 42 -9.159 -7.912 -4.253 320 HA LEU 42 HA LEU 42 -11.190 -6.766 -5.943 321 1HB LEU 42 1HB LEU 42 -9.026 -7.576 -6.760 322 2HB LEU 42 2HB LEU 42 -9.350 -9.183 -6.119 323 HG LEU 42 HG LEU 42 -11.179 -9.481 -7.779 324 1HD1 LEU 42 1HD1 LEU 42 -11.261 -7.903 -9.700 325 2HD1 LEU 42 2HD1 LEU 42 -10.122 -6.822 -8.864 326 3HD1 LEU 42 3HD1 LEU 42 -11.744 -7.117 -8.197 327 1HD2 LEU 42 1HD2 LEU 42 -8.903 -10.336 -8.163 328 2HD2 LEU 42 2HD2 LEU 42 -8.423 -8.783 -8.884 329 3HD2 LEU 42 3HD2 LEU 42 -9.642 -9.803 -9.678 330 H SER 43 H SER 43 -10.946 -9.700 -3.920 331 HA SER 43 HA SER 43 -13.134 -11.076 -5.142 332 1HB SER 43 1HB SER 43 -11.381 -12.308 -4.032 333 2HB SER 43 2HB SER 43 -11.585 -11.397 -2.541 334 HG SER 43 HG SER 43 -13.348 -13.310 -3.642 335 H THR 44 H THR 44 -12.814 -9.699 -1.884 336 HA THR 44 HA THR 44 -15.661 -9.300 -1.567 337 HB THR 44 HB THR 44 -15.443 -10.992 0.481 338 HG1 THR 44 HG1 THR 44 -13.620 -12.207 -1.349 339 1HG2 THR 44 1HG2 THR 44 -16.299 -12.847 -0.799 340 2HG2 THR 44 2HG2 THR 44 -15.743 -12.127 -2.320 341 3HG2 THR 44 3HG2 THR 44 -17.021 -11.331 -1.375 342 H LEU 45 H LEU 45 -12.413 -9.352 -0.161 343 HA LEU 45 HA LEU 45 -13.110 -7.913 2.245 344 1HB LEU 45 1HB LEU 45 -10.801 -9.155 1.086 345 2HB LEU 45 2HB LEU 45 -10.366 -7.479 1.296 346 HG LEU 45 HG LEU 45 -9.666 -8.842 3.166 347 1HD1 LEU 45 1HD1 LEU 45 -10.336 -6.491 3.607 348 2HD1 LEU 45 2HD1 LEU 45 -10.499 -7.552 5.012 349 3HD1 LEU 45 3HD1 LEU 45 -11.945 -7.064 4.108 350 1HD2 LEU 45 1HD2 LEU 45 -11.199 -9.978 4.679 351 2HD2 LEU 45 2HD2 LEU 45 -11.377 -10.616 3.037 352 3HD2 LEU 45 3HD2 LEU 45 -12.594 -9.504 3.696 353 H SER 46 H SER 46 -12.666 -5.550 2.648 354 HA SER 46 HA SER 46 -11.900 -3.943 0.392 355 1HB SER 46 1HB SER 46 -13.762 -2.358 0.944 356 2HB SER 46 2HB SER 46 -14.233 -3.859 0.109 357 HG SER 46 HG SER 46 -14.959 -4.667 2.061 358 H PHE 47 H PHE 47 -11.508 -1.696 1.287 359 HA PHE 47 HA PHE 47 -10.020 -2.083 3.816 360 1HB PHE 47 1HB PHE 47 -9.173 -0.959 1.532 361 2HB PHE 47 2HB PHE 47 -9.837 0.483 2.282 362 HD1 PHE 47 HD1 PHE 47 -7.405 -2.310 2.653 363 HD2 PHE 47 HD2 PHE 47 -8.728 1.474 4.207 364 HE1 PHE 47 HE1 PHE 47 -5.373 -2.189 4.086 365 HE2 PHE 47 HE2 PHE 47 -6.669 1.622 5.612 366 HZ PHE 47 HZ PHE 47 -4.995 -0.216 5.548 367 H VAL 48 H VAL 48 -12.157 0.382 2.433 368 HA VAL 48 HA VAL 48 -13.647 1.836 3.212 369 HB VAL 48 HB VAL 48 -13.706 0.183 5.753 370 1HG1 VAL 48 1HG1 VAL 48 -15.928 1.116 6.124 371 2HG1 VAL 48 2HG1 VAL 48 -14.722 2.395 6.107 372 3HG1 VAL 48 3HG1 VAL 48 -15.768 2.144 4.686 373 1HG2 VAL 48 1HG2 VAL 48 -14.312 -1.195 3.800 374 2HG2 VAL 48 2HG2 VAL 48 -15.747 -0.830 4.746 375 3HG2 VAL 48 3HG2 VAL 48 -15.440 0.061 3.239 376 H CYS 49 H CYS 49 -13.462 3.953 3.980 377 HA CYS 49 HA CYS 49 -10.906 4.660 5.205 378 1HB CYS 49 1HB CYS 49 -11.870 6.974 5.187 379 2HB CYS 49 2HB CYS 49 -11.772 6.219 3.613 380 HA PRO 50 HA PRO 50 -12.216 4.146 9.368 381 1HB PRO 50 1HB PRO 50 -10.976 6.209 10.743 382 2HB PRO 50 2HB PRO 50 -10.172 4.718 10.164 383 1HG PRO 50 1HG PRO 50 -10.255 7.442 8.829 384 2HG PRO 50 2HG PRO 50 -8.843 6.360 9.048 385 1HD PRO 50 1HD PRO 50 -10.196 6.465 6.703 386 2HD PRO 50 2HD PRO 50 -9.585 4.906 7.329 387 H TRP 51 H TRP 51 -12.744 7.317 7.929 388 HA TRP 51 HA TRP 51 -14.686 8.241 9.812 389 1HB TRP 51 1HB TRP 51 -13.395 9.596 8.093 390 2HB TRP 51 2HB TRP 51 -14.510 8.973 6.873 391 HD1 TRP 51 HD1 TRP 51 -16.527 10.531 6.507 392 HE1 TRP 51 HE1 TRP 51 -17.825 12.262 7.865 393 HE3 TRP 51 HE3 TRP 51 -13.980 10.165 10.931 394 HZ2 TRP 51 HZ2 TRP 51 -17.759 13.383 10.543 395 HZ3 TRP 51 HZ3 TRP 51 -14.638 11.553 12.877 396 HH2 TRP 51 HH2 TRP 51 -16.517 13.165 12.691 397 H CYS 52 H CYS 52 -14.875 6.141 6.917 398 HA CYS 52 HA CYS 52 -17.793 5.870 7.145 399 1HB CYS 52 1HB CYS 52 -15.687 4.582 5.395 400 2HB CYS 52 2HB CYS 52 -17.275 3.882 5.587 401 H ALA 53 H ALA 53 -14.869 4.130 8.339 402 HA ALA 53 HA ALA 53 -16.349 1.911 9.372 403 1HB ALA 53 1HB ALA 53 -13.857 2.028 9.339 404 2HB ALA 53 2HB ALA 53 -13.919 3.189 10.692 405 3HB ALA 53 3HB ALA 53 -14.525 1.541 10.908 406 H THR 54 H THR 54 -15.881 5.185 10.624 407 HA THR 54 HA THR 54 -17.415 4.752 13.040 408 HB THR 54 HB THR 54 -16.618 7.325 11.605 409 HG1 THR 54 HG1 THR 54 -14.763 6.292 12.120 410 1HG2 THR 54 1HG2 THR 54 -16.857 8.430 13.777 411 2HG2 THR 54 2HG2 THR 54 -17.471 6.931 14.509 412 3HG2 THR 54 3HG2 THR 54 -18.395 7.756 13.238 413 H ASN 55 H ASN 55 -18.228 6.653 10.051 414 HA ASN 55 HA ASN 55 -20.931 7.044 11.074 415 1HB ASN 55 1HB ASN 55 -19.641 7.909 8.447 416 2HB ASN 55 2HB ASN 55 -21.234 8.397 9.018 417 1HD2 ASN 55 1HD2 ASN 55 -17.730 8.666 9.698 418 2HD2 ASN 55 2HD2 ASN 55 -17.912 10.069 10.745 419 H GLN 56 H GLN 56 -19.463 4.832 8.869 420 HA GLN 56 HA GLN 56 -20.109 3.325 7.405 421 1HB GLN 56 1HB GLN 56 -22.084 3.034 9.668 422 2HB GLN 56 2HB GLN 56 -21.882 1.802 8.404 423 1HG GLN 56 1HG GLN 56 -19.533 1.504 8.969 424 2HG GLN 56 2HG GLN 56 -19.596 2.849 10.111 425 1HE2 GLN 56 1HE2 GLN 56 -18.905 1.743 11.893 426 2HE2 GLN 56 2HE2 GLN 56 -19.915 0.507 12.666 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 14.747 4.597 7.133 2 1HA GLY 1 1HA GLY 1 13.335 4.014 5.296 3 2HA GLY 1 2HA GLY 1 12.403 4.238 6.782 4 H SER 2 H SER 2 11.056 4.377 4.585 5 HA SER 2 HA SER 2 9.800 5.468 3.111 6 1HB SER 2 1HB SER 2 8.833 6.134 5.378 7 2HB SER 2 2HB SER 2 9.505 7.745 5.070 8 HG SER 2 HG SER 2 7.313 7.426 4.372 9 H HIS 3 H HIS 3 12.314 5.681 2.355 10 HA HIS 3 HA HIS 3 12.187 8.206 0.809 11 1HB HIS 3 1HB HIS 3 13.915 8.651 2.453 12 2HB HIS 3 2HB HIS 3 14.722 7.125 2.104 13 HD1 HIS 3 HD1 HIS 3 16.601 7.303 0.265 14 HD2 HIS 3 HD2 HIS 3 13.749 10.409 0.179 15 HE1 HIS 3 HE1 HIS 3 17.346 8.942 -1.545 16 H MET 4 H MET 4 14.446 5.432 0.904 17 HA MET 4 HA MET 4 13.277 4.061 -1.326 18 1HB MET 4 1HB MET 4 14.970 5.923 -2.183 19 2HB MET 4 2HB MET 4 16.209 4.855 -1.519 20 1HG MET 4 1HG MET 4 15.158 3.010 -2.987 21 2HG MET 4 2HG MET 4 14.204 4.283 -3.736 22 1HE MET 4 1HE MET 4 16.321 6.739 -3.951 23 2HE MET 4 2HE MET 4 16.958 6.405 -5.574 24 3HE MET 4 3HE MET 4 15.222 6.206 -5.248 25 H ALA 5 H ALA 5 14.994 2.028 -1.549 26 HA ALA 5 HA ALA 5 15.628 0.112 -0.595 27 1HB ALA 5 1HB ALA 5 17.669 1.367 -0.083 28 2HB ALA 5 2HB ALA 5 16.983 1.857 1.485 29 3HB ALA 5 3HB ALA 5 17.307 0.146 1.159 30 H GLU 6 H GLU 6 13.271 -0.131 -0.306 31 HA GLU 6 HA GLU 6 12.505 -0.603 2.486 32 1HB GLU 6 1HB GLU 6 11.032 1.056 0.387 33 2HB GLU 6 2HB GLU 6 10.194 0.360 1.763 34 1HG GLU 6 1HG GLU 6 12.528 2.317 1.982 35 2HG GLU 6 2HG GLU 6 10.844 2.769 2.019 36 HA PRO 7 HA PRO 7 11.153 -4.308 0.461 37 1HB PRO 7 1HB PRO 7 9.235 -5.323 2.099 38 2HB PRO 7 2HB PRO 7 10.940 -5.145 2.598 39 1HG PRO 7 1HG PRO 7 8.629 -3.293 3.207 40 2HG PRO 7 2HG PRO 7 9.871 -3.918 4.328 41 1HD PRO 7 1HD PRO 7 10.043 -1.444 3.146 42 2HD PRO 7 2HD PRO 7 11.487 -2.410 3.552 43 H GLN 8 H GLN 8 10.463 -2.786 -1.286 44 HA GLN 8 HA GLN 8 9.126 -2.261 -2.973 45 1HB GLN 8 1HB GLN 8 9.007 -4.682 -3.098 46 2HB GLN 8 2HB GLN 8 7.537 -4.691 -2.115 47 1HG GLN 8 1HG GLN 8 6.294 -3.558 -3.796 48 2HG GLN 8 2HG GLN 8 7.758 -3.088 -4.686 49 1HE2 GLN 8 1HE2 GLN 8 6.009 -3.945 -6.245 50 2HE2 GLN 8 2HE2 GLN 8 6.252 -5.629 -6.755 51 H ARG 9 H ARG 9 8.921 -0.489 -1.342 52 HA ARG 9 HA ARG 9 6.492 0.484 -0.335 53 1HB ARG 9 1HB ARG 9 8.783 1.484 -0.178 54 2HB ARG 9 2HB ARG 9 8.631 2.005 -1.849 55 1HG ARG 9 1HG ARG 9 7.539 3.819 -1.293 56 2HG ARG 9 2HG ARG 9 6.327 2.918 -0.384 57 1HD ARG 9 1HD ARG 9 7.536 3.079 1.640 58 2HD ARG 9 2HD ARG 9 9.060 3.379 0.832 59 HE ARG 9 HE ARG 9 7.132 5.299 1.694 60 1HH1 ARG 9 1HH1 ARG 9 9.508 4.755 -0.832 61 2HH1 ARG 9 2HH1 ARG 9 10.324 6.272 -0.722 62 1HH2 ARG 9 1HH2 ARG 9 8.176 7.345 1.953 63 2HH2 ARG 9 2HH2 ARG 9 9.271 7.935 0.761 64 H HIS 10 H HIS 10 4.637 0.306 -1.262 65 HA HIS 10 HA HIS 10 4.273 1.268 -4.081 66 1HB HIS 10 1HB HIS 10 3.384 -1.244 -2.779 67 2HB HIS 10 2HB HIS 10 2.258 -0.423 -3.863 68 HD1 HIS 10 HD1 HIS 10 2.359 -1.434 -6.185 69 HD2 HIS 10 HD2 HIS 10 6.093 -1.297 -4.234 70 HE1 HIS 10 HE1 HIS 10 4.063 -2.437 -7.799 71 H LYS 11 H LYS 11 2.007 1.948 -4.512 72 HA LYS 11 HA LYS 11 0.524 2.930 -2.139 73 1HB LYS 11 1HB LYS 11 1.109 4.490 -4.670 74 2HB LYS 11 2HB LYS 11 -0.211 4.859 -3.570 75 1HG LYS 11 1HG LYS 11 1.152 6.087 -2.298 76 2HG LYS 11 2HG LYS 11 2.030 4.637 -1.871 77 1HD LYS 11 1HD LYS 11 3.629 6.220 -2.659 78 2HD LYS 11 2HD LYS 11 3.504 4.937 -3.860 79 1HE LYS 11 1HE LYS 11 3.634 7.091 -4.975 80 2HE LYS 11 2HE LYS 11 2.040 6.381 -5.262 81 1HZ LYS 11 1HZ LYS 11 2.541 8.408 -3.172 82 2HZ LYS 11 2HZ LYS 11 1.075 7.860 -3.686 83 3HZ LYS 11 3HZ LYS 11 1.978 8.757 -4.687 84 H ILE 12 H ILE 12 -0.823 1.156 -2.190 85 HA ILE 12 HA ILE 12 -2.172 0.441 -4.729 86 HB ILE 12 HB ILE 12 -2.725 -0.673 -1.957 87 1HG1 ILE 12 1HG1 ILE 12 -0.966 -1.926 -4.095 88 2HG1 ILE 12 2HG1 ILE 12 -0.397 -1.205 -2.569 89 1HG2 ILE 12 1HG2 ILE 12 -3.477 -1.595 -4.775 90 2HG2 ILE 12 2HG2 ILE 12 -3.952 -2.398 -3.255 91 3HG2 ILE 12 3HG2 ILE 12 -4.576 -0.805 -3.633 92 1HD1 ILE 12 1HD1 ILE 12 -1.828 -2.824 -1.332 93 2HD1 ILE 12 2HD1 ILE 12 -2.101 -3.654 -2.890 94 3HD1 ILE 12 3HD1 ILE 12 -0.464 -3.515 -2.224 95 H LEU 13 H LEU 13 -3.295 2.327 -5.207 96 HA LEU 13 HA LEU 13 -5.049 3.602 -3.335 97 1HB LEU 13 1HB LEU 13 -4.051 4.626 -5.388 98 2HB LEU 13 2HB LEU 13 -5.221 3.737 -6.363 99 HG LEU 13 HG LEU 13 -6.208 5.389 -4.004 100 1HD1 LEU 13 1HD1 LEU 13 -6.267 7.387 -5.484 101 2HD1 LEU 13 2HD1 LEU 13 -5.298 6.490 -6.674 102 3HD1 LEU 13 3HD1 LEU 13 -4.628 6.854 -5.065 103 1HD2 LEU 13 1HD2 LEU 13 -7.896 4.094 -5.267 104 2HD2 LEU 13 2HD2 LEU 13 -7.371 4.856 -6.781 105 3HD2 LEU 13 3HD2 LEU 13 -8.142 5.822 -5.507 106 H CYS 14 H CYS 14 -6.526 2.447 -2.352 107 HA CYS 14 HA CYS 14 -8.361 0.763 -4.000 108 1HB CYS 14 1HB CYS 14 -7.007 -0.256 -1.991 109 2HB CYS 14 2HB CYS 14 -8.177 0.615 -0.979 110 HG CYS 14 HG CYS 14 -8.641 -1.637 -3.378 111 H VAL 15 H VAL 15 -10.667 0.822 -2.642 112 HA VAL 15 HA VAL 15 -11.269 3.652 -2.101 113 HB VAL 15 HB VAL 15 -13.293 3.537 -3.494 114 1HG1 VAL 15 1HG1 VAL 15 -11.245 4.684 -4.258 115 2HG1 VAL 15 2HG1 VAL 15 -10.716 3.196 -5.080 116 3HG1 VAL 15 3HG1 VAL 15 -12.201 4.027 -5.593 117 1HG2 VAL 15 1HG2 VAL 15 -12.042 1.040 -4.740 118 2HG2 VAL 15 2HG2 VAL 15 -13.498 1.059 -3.717 119 3HG2 VAL 15 3HG2 VAL 15 -13.506 1.886 -5.278 120 H CYS 16 H CYS 16 -13.081 4.039 -0.956 121 HA CYS 16 HA CYS 16 -13.732 2.140 1.077 122 1HB CYS 16 1HB CYS 16 -13.636 4.641 1.373 123 2HB CYS 16 2HB CYS 16 -15.072 4.765 0.344 124 H CYS 17 H CYS 17 -15.036 0.485 0.769 125 HA CYS 17 HA CYS 17 -16.724 0.004 -1.384 126 1HB CYS 17 1HB CYS 17 -15.692 -1.627 0.299 127 2HB CYS 17 2HB CYS 17 -17.047 -1.241 1.375 128 HG CYS 17 HG CYS 17 -18.818 -1.666 -0.683 129 H LYS 18 H LYS 18 -17.553 2.081 1.328 130 HA LYS 18 HA LYS 18 -20.400 1.890 0.562 131 1HB LYS 18 1HB LYS 18 -20.884 2.698 2.779 132 2HB LYS 18 2HB LYS 18 -20.150 1.100 2.757 133 1HG LYS 18 1HG LYS 18 -18.091 1.933 3.672 134 2HG LYS 18 2HG LYS 18 -18.545 3.604 3.368 135 1HD LYS 18 1HD LYS 18 -18.905 3.326 5.687 136 2HD LYS 18 2HD LYS 18 -20.512 3.268 4.989 137 1HE LYS 18 1HE LYS 18 -20.443 0.776 5.090 138 2HE LYS 18 2HE LYS 18 -18.807 0.843 5.742 139 1HZ LYS 18 1HZ LYS 18 -20.625 0.591 7.430 140 2HZ LYS 18 2HZ LYS 18 -21.101 2.140 7.143 141 3HZ LYS 18 3HZ LYS 18 -19.612 1.857 7.707 142 H CYS 19 H CYS 19 -17.697 4.216 0.434 143 HA CYS 19 HA CYS 19 -19.711 6.131 -0.516 144 1HB CYS 19 1HB CYS 19 -18.540 7.814 0.523 145 2HB CYS 19 2HB CYS 19 -18.853 6.630 1.773 146 H ASP 20 H ASP 20 -17.232 4.182 -1.611 147 HA ASP 20 HA ASP 20 -15.728 4.148 -3.167 148 1HB ASP 20 1HB ASP 20 -17.738 4.688 -4.529 149 2HB ASP 20 2HB ASP 20 -17.228 6.377 -4.542 150 H GLY 21 H GLY 21 -15.344 6.015 -0.880 151 1HA GLY 21 1HA GLY 21 -13.804 8.270 -1.847 152 2HA GLY 21 2HA GLY 21 -13.818 7.710 -0.177 153 H ARG 22 H ARG 22 -11.691 8.517 -1.946 154 HA ARG 22 HA ARG 22 -10.077 6.300 -2.858 155 1HB ARG 22 1HB ARG 22 -9.992 8.415 -3.961 156 2HB ARG 22 2HB ARG 22 -9.659 9.300 -2.485 157 1HG ARG 22 1HG ARG 22 -7.656 7.288 -3.550 158 2HG ARG 22 2HG ARG 22 -7.804 8.903 -4.251 159 1HD ARG 22 1HD ARG 22 -7.564 9.725 -1.749 160 2HD ARG 22 2HD ARG 22 -6.860 8.138 -1.494 161 HE ARG 22 HE ARG 22 -5.049 8.665 -2.952 162 1HH1 ARG 22 1HH1 ARG 22 -7.171 11.471 -2.553 163 2HH1 ARG 22 2HH1 ARG 22 -5.960 12.611 -3.042 164 1HH2 ARG 22 1HH2 ARG 22 -3.482 10.085 -3.553 165 2HH2 ARG 22 2HH2 ARG 22 -3.791 11.800 -3.661 166 H ILE 23 H ILE 23 -8.856 4.945 -1.573 167 HA ILE 23 HA ILE 23 -7.471 6.253 0.698 168 HB ILE 23 HB ILE 23 -8.094 3.281 0.636 169 1HG1 ILE 23 1HG1 ILE 23 -9.441 4.169 2.840 170 2HG1 ILE 23 2HG1 ILE 23 -9.739 5.532 1.760 171 1HG2 ILE 23 1HG2 ILE 23 -7.060 5.166 2.817 172 2HG2 ILE 23 2HG2 ILE 23 -7.234 3.398 2.937 173 3HG2 ILE 23 3HG2 ILE 23 -6.040 4.101 1.840 174 1HD1 ILE 23 1HD1 ILE 23 -11.515 3.848 1.557 175 2HD1 ILE 23 2HD1 ILE 23 -10.570 3.866 0.051 176 3HD1 ILE 23 3HD1 ILE 23 -10.321 2.579 1.242 177 H GLU 24 H GLU 24 -5.492 6.681 -0.100 178 HA GLU 24 HA GLU 24 -4.235 4.915 -2.076 179 1HB GLU 24 1HB GLU 24 -4.214 7.372 -2.222 180 2HB GLU 24 2HB GLU 24 -3.160 7.451 -0.803 181 1HG GLU 24 1HG GLU 24 -1.456 6.130 -1.992 182 2HG GLU 24 2HG GLU 24 -2.555 5.883 -3.361 183 H LEU 25 H LEU 25 -3.931 2.961 -0.961 184 HA LEU 25 HA LEU 25 -2.863 2.877 1.693 185 1HB LEU 25 1HB LEU 25 -2.838 0.599 -0.290 186 2HB LEU 25 2HB LEU 25 -2.782 0.493 1.446 187 HG LEU 25 HG LEU 25 -5.192 1.526 -0.123 188 1HD1 LEU 25 1HD1 LEU 25 -4.798 -0.801 -0.723 189 2HD1 LEU 25 2HD1 LEU 25 -6.202 -0.691 0.349 190 3HD1 LEU 25 3HD1 LEU 25 -4.644 -1.261 0.988 191 1HD2 LEU 25 1HD2 LEU 25 -4.974 2.210 2.323 192 2HD2 LEU 25 2HD2 LEU 25 -4.934 0.498 2.754 193 3HD2 LEU 25 3HD2 LEU 25 -6.387 1.186 1.993 194 H THR 26 H THR 26 -0.984 4.174 1.546 195 HA THR 26 HA THR 26 1.302 3.361 -0.084 196 HB THR 26 HB THR 26 1.277 5.082 2.420 197 HG1 THR 26 HG1 THR 26 -0.038 5.813 0.616 198 1HG2 THR 26 1HG2 THR 26 3.382 5.985 1.480 199 2HG2 THR 26 2HG2 THR 26 3.310 4.801 0.157 200 3HG2 THR 26 3HG2 THR 26 3.527 4.254 1.832 201 H VAL 27 H VAL 27 1.911 1.263 0.194 202 HA VAL 27 HA VAL 27 2.494 0.321 2.928 203 HB VAL 27 HB VAL 27 1.499 -1.888 2.425 204 1HG1 VAL 27 1HG1 VAL 27 -0.552 0.358 2.395 205 2HG1 VAL 27 2HG1 VAL 27 -0.806 -1.310 2.951 206 3HG1 VAL 27 3HG1 VAL 27 0.306 -0.241 3.826 207 1HG2 VAL 27 1HG2 VAL 27 0.065 -0.559 0.086 208 2HG2 VAL 27 2HG2 VAL 27 1.335 -1.787 -0.049 209 3HG2 VAL 27 3HG2 VAL 27 -0.206 -2.197 0.708 210 H GLU 28 H GLU 28 4.309 -0.837 3.046 211 HA GLU 28 HA GLU 28 5.908 -1.201 0.619 212 1HB GLU 28 1HB GLU 28 6.627 -1.474 3.522 213 2HB GLU 28 2HB GLU 28 7.722 -1.521 2.136 214 1HG GLU 28 1HG GLU 28 7.908 0.627 3.110 215 2HG GLU 28 2HG GLU 28 7.142 0.803 1.578 216 H SER 29 H SER 29 4.969 -2.937 -0.414 217 HA SER 29 HA SER 29 4.588 -5.450 1.114 218 1HB SER 29 1HB SER 29 2.585 -5.731 -0.245 219 2HB SER 29 2HB SER 29 2.463 -4.368 0.903 220 HG SER 29 HG SER 29 3.346 -4.074 -1.769 221 H SER 30 H SER 30 5.614 -6.972 0.239 222 HA SER 30 HA SER 30 7.150 -6.933 -2.172 223 1HB SER 30 1HB SER 30 6.099 -9.346 -0.630 224 2HB SER 30 2HB SER 30 7.478 -9.323 -1.750 225 HG SER 30 HG SER 30 8.118 -9.154 0.452 226 H ALA 31 H ALA 31 6.681 -7.753 -4.243 227 HA ALA 31 HA ALA 31 4.289 -7.435 -5.343 228 1HB ALA 31 1HB ALA 31 6.289 -9.549 -6.257 229 2HB ALA 31 2HB ALA 31 5.052 -8.771 -7.266 230 3HB ALA 31 3HB ALA 31 6.389 -7.810 -6.604 231 H GLU 32 H GLU 32 5.287 -10.602 -3.997 232 HA GLU 32 HA GLU 32 3.000 -12.084 -4.834 233 1HB GLU 32 1HB GLU 32 4.964 -12.422 -2.536 234 2HB GLU 32 2HB GLU 32 3.746 -13.630 -2.985 235 1HG GLU 32 1HG GLU 32 4.726 -13.835 -5.240 236 2HG GLU 32 2HG GLU 32 5.928 -12.597 -4.861 237 H ASP 33 H ASP 33 3.696 -10.252 -1.815 238 HA ASP 33 HA ASP 33 1.271 -10.945 -0.447 239 1HB ASP 33 1HB ASP 33 3.110 -10.065 0.841 240 2HB ASP 33 2HB ASP 33 3.186 -8.600 -0.143 241 H LEU 34 H LEU 34 2.332 -8.121 -2.354 242 HA LEU 34 HA LEU 34 -0.084 -6.674 -2.363 243 1HB LEU 34 1HB LEU 34 1.977 -5.725 -3.118 244 2HB LEU 34 2HB LEU 34 2.081 -6.812 -4.493 245 HG LEU 34 HG LEU 34 -0.423 -5.114 -4.283 246 1HD1 LEU 34 1HD1 LEU 34 0.750 -3.189 -5.328 247 2HD1 LEU 34 2HD1 LEU 34 2.309 -4.035 -5.148 248 3HD1 LEU 34 3HD1 LEU 34 1.402 -3.520 -3.716 249 1HD2 LEU 34 1HD2 LEU 34 -0.092 -4.936 -6.745 250 2HD2 LEU 34 2HD2 LEU 34 -0.185 -6.617 -6.230 251 3HD2 LEU 34 3HD2 LEU 34 1.391 -5.903 -6.617 252 H ARG 35 H ARG 35 1.016 -9.147 -4.715 253 HA ARG 35 HA ARG 35 -1.257 -9.124 -6.385 254 1HB ARG 35 1HB ARG 35 0.933 -10.323 -6.773 255 2HB ARG 35 2HB ARG 35 0.454 -11.551 -5.615 256 1HG ARG 35 1HG ARG 35 -1.467 -12.186 -6.997 257 2HG ARG 35 2HG ARG 35 -1.125 -10.858 -8.131 258 1HD ARG 35 1HD ARG 35 1.047 -11.882 -8.683 259 2HD ARG 35 2HD ARG 35 0.722 -13.212 -7.547 260 HE ARG 35 HE ARG 35 -1.469 -13.189 -9.208 261 1HH1 ARG 35 1HH1 ARG 35 2.003 -13.554 -9.720 262 2HH1 ARG 35 2HH1 ARG 35 1.867 -14.498 -11.162 263 1HH2 ARG 35 1HH2 ARG 35 -1.697 -14.456 -11.125 264 2HH2 ARG 35 2HH2 ARG 35 -0.305 -15.026 -11.969 265 H THR 36 H THR 36 -0.556 -11.023 -3.477 266 HA THR 36 HA THR 36 -2.928 -12.578 -3.439 267 HB THR 36 HB THR 36 -1.512 -11.457 -0.978 268 HG1 THR 36 HG1 THR 36 0.071 -12.497 -2.348 269 1HG2 THR 36 1HG2 THR 36 -3.019 -14.075 -1.405 270 2HG2 THR 36 2HG2 THR 36 -3.553 -12.690 -0.422 271 3HG2 THR 36 3HG2 THR 36 -2.134 -13.626 0.067 272 H LEU 37 H LEU 37 -2.237 -9.410 -1.825 273 HA LEU 37 HA LEU 37 -4.787 -8.988 -0.677 274 1HB LEU 37 1HB LEU 37 -3.437 -6.741 -2.189 275 2HB LEU 37 2HB LEU 37 -4.419 -6.690 -0.716 276 HG LEU 37 HG LEU 37 -1.624 -7.631 -1.042 277 1HD1 LEU 37 1HD1 LEU 37 -1.791 -5.338 -1.446 278 2HD1 LEU 37 2HD1 LEU 37 -1.039 -5.543 0.136 279 3HD1 LEU 37 3HD1 LEU 37 -2.750 -5.043 0.034 280 1HD2 LEU 37 1HD2 LEU 37 -2.755 -8.804 0.815 281 2HD2 LEU 37 2HD2 LEU 37 -3.326 -7.247 1.461 282 3HD2 LEU 37 3HD2 LEU 37 -1.593 -7.649 1.455 283 H GLN 38 H GLN 38 -3.499 -8.385 -3.907 284 HA GLN 38 HA GLN 38 -5.609 -6.824 -4.725 285 1HB GLN 38 1HB GLN 38 -3.350 -6.807 -5.658 286 2HB GLN 38 2HB GLN 38 -3.610 -8.383 -6.392 287 1HG GLN 38 1HG GLN 38 -4.024 -6.988 -8.193 288 2HG GLN 38 2HG GLN 38 -5.658 -7.220 -7.603 289 1HE2 GLN 38 1HE2 GLN 38 -2.811 -4.996 -7.323 290 2HE2 GLN 38 2HE2 GLN 38 -3.810 -3.572 -7.035 291 H GLN 39 H GLN 39 -4.968 -10.341 -4.875 292 HA GLN 39 HA GLN 39 -7.137 -11.164 -6.515 293 1HB GLN 39 1HB GLN 39 -6.029 -12.794 -4.219 294 2HB GLN 39 2HB GLN 39 -6.954 -13.334 -5.605 295 1HG GLN 39 1HG GLN 39 -4.089 -12.553 -5.438 296 2HG GLN 39 2HG GLN 39 -4.815 -14.018 -6.067 297 1HE2 GLN 39 1HE2 GLN 39 -3.710 -10.846 -6.793 298 2HE2 GLN 39 2HE2 GLN 39 -4.055 -10.881 -8.529 299 H LEU 40 H LEU 40 -6.739 -10.731 -2.954 300 HA LEU 40 HA LEU 40 -9.368 -11.588 -2.240 301 1HB LEU 40 1HB LEU 40 -7.451 -9.711 -0.802 302 2HB LEU 40 2HB LEU 40 -8.950 -10.313 -0.111 303 HG LEU 40 HG LEU 40 -6.652 -12.103 -1.012 304 1HD1 LEU 40 1HD1 LEU 40 -6.188 -12.363 1.390 305 2HD1 LEU 40 2HD1 LEU 40 -7.473 -11.197 1.780 306 3HD1 LEU 40 3HD1 LEU 40 -6.023 -10.673 0.895 307 1HD2 LEU 40 1HD2 LEU 40 -9.211 -12.709 0.537 308 2HD2 LEU 40 2HD2 LEU 40 -7.845 -13.830 0.348 309 3HD2 LEU 40 3HD2 LEU 40 -8.765 -13.329 -1.069 310 H PHE 41 H PHE 41 -8.087 -8.214 -2.679 311 HA PHE 41 HA PHE 41 -10.694 -7.036 -2.400 312 1HB PHE 41 1HB PHE 41 -8.268 -5.964 -3.873 313 2HB PHE 41 2HB PHE 41 -9.693 -5.028 -3.442 314 HD1 PHE 41 HD1 PHE 41 -10.266 -5.651 -0.623 315 HD2 PHE 41 HD2 PHE 41 -6.477 -5.049 -2.611 316 HE1 PHE 41 HE1 PHE 41 -9.206 -5.136 1.532 317 HE2 PHE 41 HE2 PHE 41 -5.435 -4.526 -0.442 318 HZ PHE 41 HZ PHE 41 -6.775 -4.643 1.646 319 H LEU 42 H LEU 42 -9.124 -8.445 -5.292 320 HA LEU 42 HA LEU 42 -11.142 -7.563 -7.144 321 1HB LEU 42 1HB LEU 42 -8.954 -8.238 -7.835 322 2HB LEU 42 2HB LEU 42 -9.120 -9.844 -7.146 323 HG LEU 42 HG LEU 42 -10.981 -8.976 -9.372 324 1HD1 LEU 42 1HD1 LEU 42 -9.325 -9.837 -11.003 325 2HD1 LEU 42 2HD1 LEU 42 -8.140 -10.051 -9.693 326 3HD1 LEU 42 3HD1 LEU 42 -8.703 -8.425 -10.140 327 1HD2 LEU 42 1HD2 LEU 42 -10.805 -11.412 -9.968 328 2HD2 LEU 42 2HD2 LEU 42 -11.460 -11.190 -8.355 329 3HD2 LEU 42 3HD2 LEU 42 -9.763 -11.672 -8.554 330 H SER 43 H SER 43 -10.771 -10.465 -5.110 331 HA SER 43 HA SER 43 -12.887 -11.982 -6.233 332 1HB SER 43 1HB SER 43 -11.077 -13.029 -5.052 333 2HB SER 43 2HB SER 43 -11.332 -12.054 -3.612 334 HG SER 43 HG SER 43 -12.244 -14.407 -3.986 335 H THR 44 H THR 44 -12.730 -10.460 -3.015 336 HA THR 44 HA THR 44 -15.611 -10.230 -2.859 337 HB THR 44 HB THR 44 -15.331 -11.758 -0.678 338 HG1 THR 44 HG1 THR 44 -13.376 -12.907 -2.402 339 1HG2 THR 44 1HG2 THR 44 -16.795 -12.301 -2.589 340 2HG2 THR 44 2HG2 THR 44 -16.005 -13.727 -1.876 341 3HG2 THR 44 3HG2 THR 44 -15.417 -13.065 -3.415 342 H LEU 45 H LEU 45 -12.471 -9.800 -1.371 343 HA LEU 45 HA LEU 45 -13.494 -8.346 0.931 344 1HB LEU 45 1HB LEU 45 -11.297 -9.641 0.779 345 2HB LEU 45 2HB LEU 45 -10.686 -8.341 -0.244 346 HG LEU 45 HG LEU 45 -10.898 -6.745 1.620 347 1HD1 LEU 45 1HD1 LEU 45 -11.869 -9.138 3.241 348 2HD1 LEU 45 2HD1 LEU 45 -12.785 -7.655 2.892 349 3HD1 LEU 45 3HD1 LEU 45 -11.361 -7.578 3.924 350 1HD2 LEU 45 1HD2 LEU 45 -9.092 -7.652 3.002 351 2HD2 LEU 45 2HD2 LEU 45 -8.812 -8.031 1.296 352 3HD2 LEU 45 3HD2 LEU 45 -9.418 -9.290 2.395 353 H SER 46 H SER 46 -12.772 -5.937 1.242 354 HA SER 46 HA SER 46 -12.148 -4.342 -1.004 355 1HB SER 46 1HB SER 46 -15.003 -4.214 0.067 356 2HB SER 46 2HB SER 46 -14.232 -2.899 -0.848 357 HG SER 46 HG SER 46 -14.048 -5.465 -1.942 358 H PHE 47 H PHE 47 -12.661 -1.810 0.099 359 HA PHE 47 HA PHE 47 -11.409 -2.013 2.760 360 1HB PHE 47 1HB PHE 47 -10.256 -1.120 0.355 361 2HB PHE 47 2HB PHE 47 -10.784 0.357 1.121 362 HD1 PHE 47 HD1 PHE 47 -8.464 -2.492 1.230 363 HD2 PHE 47 HD2 PHE 47 -9.847 0.996 3.341 364 HE1 PHE 47 HE1 PHE 47 -6.524 -2.647 2.790 365 HE2 PHE 47 HE2 PHE 47 -7.932 0.819 4.914 366 HZ PHE 47 HZ PHE 47 -6.274 -1.019 4.641 367 H VAL 48 H VAL 48 -11.696 0.155 3.892 368 HA VAL 48 HA VAL 48 -13.957 1.753 3.128 369 HB VAL 48 HB VAL 48 -15.161 0.104 4.350 370 1HG1 VAL 48 1HG1 VAL 48 -13.339 0.538 6.735 371 2HG1 VAL 48 2HG1 VAL 48 -14.817 -0.452 6.689 372 3HG1 VAL 48 3HG1 VAL 48 -13.422 -0.929 5.717 373 1HG2 VAL 48 1HG2 VAL 48 -16.181 1.405 6.160 374 2HG2 VAL 48 2HG2 VAL 48 -14.824 2.547 6.123 375 3HG2 VAL 48 3HG2 VAL 48 -15.912 2.382 4.721 376 H CYS 49 H CYS 49 -13.549 3.890 3.672 377 HA CYS 49 HA CYS 49 -10.841 4.477 4.529 378 1HB CYS 49 1HB CYS 49 -11.563 6.836 4.213 379 2HB CYS 49 2HB CYS 49 -11.875 5.829 2.813 380 HA PRO 50 HA PRO 50 -11.463 4.702 8.813 381 1HB PRO 50 1HB PRO 50 -10.020 6.904 9.700 382 2HB PRO 50 2HB PRO 50 -9.321 5.335 9.201 383 1HG PRO 50 1HG PRO 50 -9.634 7.851 7.544 384 2HG PRO 50 2HG PRO 50 -8.197 6.788 7.689 385 1HD PRO 50 1HD PRO 50 -9.877 6.573 5.585 386 2HD PRO 50 2HD PRO 50 -9.203 5.102 6.348 387 H TRP 51 H TRP 51 -12.146 7.789 7.196 388 HA TRP 51 HA TRP 51 -13.894 8.943 9.087 389 1HB TRP 51 1HB TRP 51 -13.093 10.127 7.100 390 2HB TRP 51 2HB TRP 51 -13.999 9.038 6.052 391 HD1 TRP 51 HD1 TRP 51 -14.535 11.834 8.629 392 HE1 TRP 51 HE1 TRP 51 -16.884 12.830 8.357 393 HE3 TRP 51 HE3 TRP 51 -16.354 8.675 5.034 394 HZ2 TRP 51 HZ2 TRP 51 -19.279 12.276 6.841 395 HZ3 TRP 51 HZ3 TRP 51 -18.678 8.924 4.208 396 HH2 TRP 51 HH2 TRP 51 -20.147 10.710 5.109 397 H CYS 52 H CYS 52 -14.592 6.567 6.439 398 HA CYS 52 HA CYS 52 -17.369 6.265 7.222 399 1HB CYS 52 1HB CYS 52 -15.482 4.829 5.356 400 2HB CYS 52 2HB CYS 52 -17.006 4.107 5.812 401 H ALA 53 H ALA 53 -14.305 4.589 8.124 402 HA ALA 53 HA ALA 53 -15.606 2.502 9.577 403 1HB ALA 53 1HB ALA 53 -12.916 3.762 10.228 404 2HB ALA 53 2HB ALA 53 -13.481 2.143 10.658 405 3HB ALA 53 3HB ALA 53 -13.173 2.539 8.955 406 H THR 54 H THR 54 -14.856 5.872 10.450 407 HA THR 54 HA THR 54 -15.743 5.394 13.192 408 HB THR 54 HB THR 54 -13.644 6.694 12.352 409 HG1 THR 54 HG1 THR 54 -15.392 7.506 14.432 410 1HG2 THR 54 1HG2 THR 54 -13.836 9.098 12.362 411 2HG2 THR 54 2HG2 THR 54 -15.605 9.017 12.474 412 3HG2 THR 54 3HG2 THR 54 -14.766 8.425 11.021 413 H ASN 55 H ASN 55 -17.243 6.700 10.336 414 HA ASN 55 HA ASN 55 -19.467 7.845 11.995 415 1HB ASN 55 1HB ASN 55 -18.820 8.197 9.035 416 2HB ASN 55 2HB ASN 55 -20.257 8.818 9.838 417 1HD2 ASN 55 1HD2 ASN 55 -16.715 9.057 9.750 418 2HD2 ASN 55 2HD2 ASN 55 -16.660 10.663 10.494 419 H GLN 56 H GLN 56 -18.688 5.322 9.681 420 HA GLN 56 HA GLN 56 -19.616 3.640 8.778 421 1HB GLN 56 1HB GLN 56 -20.971 3.738 11.445 422 2HB GLN 56 2HB GLN 56 -21.137 2.351 10.334 423 1HG GLN 56 1HG GLN 56 -18.751 1.962 10.331 424 2HG GLN 56 2HG GLN 56 -18.447 3.476 11.181 425 1HE2 GLN 56 1HE2 GLN 56 -17.283 2.546 12.854 426 2HE2 GLN 56 2HE2 GLN 56 -18.097 1.564 14.093
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