NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549707 | 2lv2 | 18551 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 3.034 1.172 -0.028 2 H2 MET 1 H2 MET 1 3.324 -0.043 1.110 3 H3 MET 1 H3 MET 1 1.760 0.218 0.532 4 HA MET 1 HA MET 1 2.775 -1.736 -0.435 5 HB2 MET 1 HB2 MET 1 1.041 -0.369 -1.648 6 HB3 MET 1 HB3 MET 1 2.324 0.536 -2.436 7 HG2 MET 1 HG2 MET 1 1.943 -2.451 -2.752 8 HG3 MET 1 HG3 MET 1 1.247 -1.251 -3.843 9 HE1 MET 1 HE1 MET 1 2.492 -2.623 -5.874 10 HE2 MET 1 HE2 MET 1 3.208 -3.720 -4.692 11 HE3 MET 1 HE3 MET 1 4.230 -2.921 -5.884 12 H GLY 2 H GLY 2 4.495 -2.681 -1.563 13 HA2 GLY 2 HA2 GLY 2 6.516 -2.797 -2.714 14 HA3 GLY 2 HA3 GLY 2 6.730 -1.066 -2.528 15 H HIS 3 H HIS 3 5.991 -3.227 0.158 16 HA HIS 3 HA HIS 3 8.443 -2.559 1.534 17 HB2 HIS 3 HB2 HIS 3 7.636 -4.013 3.336 18 HB3 HIS 3 HB3 HIS 3 6.366 -2.921 2.825 19 HD1 HIS 3 HD1 HIS 3 7.220 -6.510 3.127 20 HD2 HIS 3 HD2 HIS 3 4.158 -4.211 1.514 21 HE1 HIS 3 HE1 HIS 3 5.365 -8.116 2.627 22 HE2 HIS 3 HE2 HIS 3 3.499 -6.690 1.735 23 H HIS 4 H HIS 4 10.321 -3.386 0.816 24 HA HIS 4 HA HIS 4 10.595 -6.264 0.339 25 HB2 HIS 4 HB2 HIS 4 11.793 -5.891 -1.847 26 HB3 HIS 4 HB3 HIS 4 10.078 -5.525 -1.903 27 HD1 HIS 4 HD1 HIS 4 9.445 -3.258 -2.772 28 HD2 HIS 4 HD2 HIS 4 13.483 -3.476 -1.826 29 HE1 HIS 4 HE1 HIS 4 10.453 -1.123 -3.618 30 HE2 HIS 4 HE2 HIS 4 12.919 -1.361 -3.186 31 H HIS 5 H HIS 5 12.656 -7.068 0.594 32 HA HIS 5 HA HIS 5 14.629 -5.263 1.863 33 HB2 HIS 5 HB2 HIS 5 14.282 -8.289 2.134 34 HB3 HIS 5 HB3 HIS 5 15.581 -7.361 2.874 35 HD1 HIS 5 HD1 HIS 5 15.131 -6.466 5.159 36 HD2 HIS 5 HD2 HIS 5 11.628 -7.534 3.200 37 HE1 HIS 5 HE1 HIS 5 13.306 -6.239 6.864 38 HE2 HIS 5 HE2 HIS 5 11.201 -6.898 5.661 39 H HIS 6 H HIS 6 16.786 -5.359 1.264 40 HA HIS 6 HA HIS 6 17.368 -6.452 -1.424 41 HB2 HIS 6 HB2 HIS 6 19.232 -4.803 -1.458 42 HB3 HIS 6 HB3 HIS 6 17.683 -4.023 -1.183 43 HD1 HIS 6 HD1 HIS 6 17.337 -2.842 1.096 44 HD2 HIS 6 HD2 HIS 6 21.070 -4.628 0.710 45 HE1 HIS 6 HE1 HIS 6 18.734 -1.905 2.953 46 HE2 HIS 6 HE2 HIS 6 21.029 -2.853 2.576 47 H HIS 7 H HIS 7 17.264 -8.352 0.526 48 HA HIS 7 HA HIS 7 19.625 -8.745 2.059 49 HB2 HIS 7 HB2 HIS 7 17.437 -9.693 2.717 50 HB3 HIS 7 HB3 HIS 7 17.451 -10.742 1.305 51 HD1 HIS 7 HD1 HIS 7 19.275 -12.708 1.331 52 HD2 HIS 7 HD2 HIS 7 18.774 -10.687 4.928 53 HE1 HIS 7 HE1 HIS 7 20.306 -14.175 3.079 54 HE2 HIS 7 HE2 HIS 7 19.924 -12.967 5.255 55 H HIS 8 H HIS 8 21.364 -8.617 0.657 56 HA HIS 8 HA HIS 8 21.868 -10.902 -1.177 57 HB2 HIS 8 HB2 HIS 8 21.903 -8.459 -2.037 58 HB3 HIS 8 HB3 HIS 8 23.340 -8.224 -1.061 59 HD1 HIS 8 HD1 HIS 8 22.105 -10.028 -4.126 60 HD2 HIS 8 HD2 HIS 8 25.709 -9.181 -2.226 61 HE1 HIS 8 HE1 HIS 8 23.900 -10.679 -5.756 62 HE2 HIS 8 HE2 HIS 8 26.063 -10.265 -4.536 63 H SER 9 H SER 9 22.016 -10.726 1.817 64 HA SER 9 HA SER 9 24.700 -10.637 2.732 65 HB2 SER 9 HB2 SER 9 22.247 -11.927 4.010 66 HB3 SER 9 HB3 SER 9 23.760 -11.539 4.834 67 HG SER 9 HG SER 9 23.162 -9.535 4.972 68 H HIS 10 H HIS 10 26.121 -12.038 1.821 69 HA HIS 10 HA HIS 10 25.684 -14.947 2.076 70 HB2 HIS 10 HB2 HIS 10 25.092 -14.142 -0.281 71 HB3 HIS 10 HB3 HIS 10 26.767 -13.640 -0.468 72 HD1 HIS 10 HD1 HIS 10 28.497 -15.485 -0.939 73 HD2 HIS 10 HD2 HIS 10 24.650 -16.944 -0.338 74 HE1 HIS 10 HE1 HIS 10 28.531 -17.849 -1.766 75 HE2 HIS 10 HE2 HIS 10 26.168 -18.656 -1.527 76 H MET 11 H MET 11 26.995 -14.024 3.949 77 HA MET 11 HA MET 11 29.762 -13.292 3.466 78 HB2 MET 11 HB2 MET 11 28.337 -13.847 6.101 79 HB3 MET 11 HB3 MET 11 29.914 -13.091 5.920 80 HG2 MET 11 HG2 MET 11 28.795 -11.211 4.681 81 HG3 MET 11 HG3 MET 11 27.241 -11.947 5.078 82 HE1 MET 11 HE1 MET 11 27.942 -13.030 8.141 83 HE2 MET 11 HE2 MET 11 26.411 -12.300 7.663 84 HE3 MET 11 HE3 MET 11 27.290 -11.668 9.053 85 H GLY 12 H GLY 12 31.353 -14.689 3.244 86 HA2 GLY 12 HA2 GLY 12 32.287 -16.699 4.750 87 HA3 GLY 12 HA3 GLY 12 31.056 -17.540 3.806 88 H ASP 13 H ASP 13 31.763 -18.447 1.995 89 HA ASP 13 HA ASP 13 32.853 -18.913 0.079 90 HB2 ASP 13 HB2 ASP 13 33.288 -15.894 -0.059 91 HB3 ASP 13 HB3 ASP 13 33.490 -17.002 -1.408 92 H GLY 14 H GLY 14 34.509 -20.073 1.249 93 HA2 GLY 14 HA2 GLY 14 37.110 -19.633 0.473 94 HA3 GLY 14 HA3 GLY 14 36.981 -18.818 2.026 95 H GLU 15 H GLU 15 37.418 -21.813 0.442 96 HA GLU 15 HA GLU 15 37.711 -23.181 3.045 97 HB2 GLU 15 HB2 GLU 15 35.513 -23.798 1.727 98 HB3 GLU 15 HB3 GLU 15 36.570 -24.623 0.599 99 HG2 GLU 15 HG2 GLU 15 36.256 -25.257 3.550 100 HG3 GLU 15 HG3 GLU 15 35.542 -26.164 2.223 101 H GLY 16 H GLY 16 39.759 -23.903 3.177 102 HA2 GLY 16 HA2 GLY 16 41.197 -25.397 1.370 103 HA3 GLY 16 HA3 GLY 16 41.599 -23.725 0.975 104 H ALA 17 H ALA 17 43.661 -25.179 1.671 105 HA ALA 17 HA ALA 17 44.612 -24.020 4.140 106 HB1 ALA 17 HB1 ALA 17 44.458 -27.054 3.888 107 HB2 ALA 17 HB2 ALA 17 43.521 -26.063 5.008 108 HB3 ALA 17 HB3 ALA 17 45.273 -26.171 5.181 109 H GLY 18 H GLY 18 46.809 -23.689 4.026 110 HA2 GLY 18 HA2 GLY 18 48.901 -25.051 3.165 111 HA3 GLY 18 HA3 GLY 18 48.244 -24.563 1.607 112 H VAL 19 H VAL 19 50.242 -23.431 1.251 113 HA VAL 19 HA VAL 19 50.838 -21.033 2.798 114 HB VAL 19 HB VAL 19 52.677 -20.670 1.186 115 HG11 VAL 19 HG11 VAL 19 54.042 -22.662 1.699 116 HG12 VAL 19 HG12 VAL 19 52.587 -23.535 2.189 117 HG13 VAL 19 HG13 VAL 19 53.121 -22.124 3.104 118 HG21 VAL 19 HG21 VAL 19 51.630 -21.497 -0.888 119 HG22 VAL 19 HG22 VAL 19 51.668 -23.151 -0.274 120 HG23 VAL 19 HG23 VAL 19 53.176 -22.302 -0.617 121 H LEU 20 H LEU 20 51.468 -19.088 1.109 122 HA LEU 20 HA LEU 20 49.240 -18.647 -0.768 123 HB2 LEU 20 HB2 LEU 20 48.920 -16.352 -0.038 124 HB3 LEU 20 HB3 LEU 20 48.643 -17.449 1.297 125 HG LEU 20 HG LEU 20 51.203 -15.823 0.969 126 HD11 LEU 20 HD11 LEU 20 49.293 -14.296 1.272 127 HD12 LEU 20 HD12 LEU 20 50.330 -14.308 2.695 128 HD13 LEU 20 HD13 LEU 20 48.799 -15.188 2.715 129 HD21 LEU 20 HD21 LEU 20 51.580 -16.337 3.345 130 HD22 LEU 20 HD22 LEU 20 51.491 -17.807 2.377 131 HD23 LEU 20 HD23 LEU 20 50.114 -17.322 3.369 132 H GLY 21 H GLY 21 49.921 -18.032 -2.726 133 HA2 GLY 21 HA2 GLY 21 52.727 -17.384 -3.224 134 HA3 GLY 21 HA3 GLY 21 51.482 -17.677 -4.426 135 H LEU 22 H LEU 22 50.033 -15.636 -2.460 136 HA LEU 22 HA LEU 22 51.170 -13.101 -3.326 137 HB2 LEU 22 HB2 LEU 22 49.749 -13.829 -5.251 138 HB3 LEU 22 HB3 LEU 22 48.388 -14.032 -4.162 139 HG LEU 22 HG LEU 22 48.429 -11.579 -3.707 140 HD11 LEU 22 HD11 LEU 22 50.497 -11.444 -5.921 141 HD12 LEU 22 HD12 LEU 22 50.761 -11.072 -4.216 142 HD13 LEU 22 HD13 LEU 22 49.690 -10.058 -5.176 143 HD21 LEU 22 HD21 LEU 22 48.087 -12.304 -6.633 144 HD22 LEU 22 HD22 LEU 22 47.415 -10.876 -5.840 145 HD23 LEU 22 HD23 LEU 22 46.869 -12.482 -5.367 146 H SER 23 H SER 23 50.150 -11.298 -2.113 147 HA SER 23 HA SER 23 49.914 -11.796 0.584 148 HB2 SER 23 HB2 SER 23 48.791 -9.414 -0.947 149 HB3 SER 23 HB3 SER 23 49.141 -9.456 0.784 150 HG SER 23 HG SER 23 51.174 -9.171 0.377 151 H ALA 24 H ALA 24 47.275 -11.237 -1.742 152 HA ALA 24 HA ALA 24 45.077 -11.680 -1.791 153 HB1 ALA 24 HB1 ALA 24 44.254 -13.731 -0.693 154 HB2 ALA 24 HB2 ALA 24 45.722 -13.799 0.288 155 HB3 ALA 24 HB3 ALA 24 45.817 -14.006 -1.461 156 H SER 25 H SER 25 43.055 -12.148 -0.142 157 HA SER 25 HA SER 25 41.585 -11.279 1.325 158 HB2 SER 25 HB2 SER 25 43.213 -12.116 3.034 159 HB3 SER 25 HB3 SER 25 44.029 -10.555 3.012 160 HG SER 25 HG SER 25 42.612 -10.605 4.732 161 H ALA 26 H ALA 26 41.186 -9.067 2.713 162 HA ALA 26 HA ALA 26 42.331 -6.680 1.576 163 HB1 ALA 26 HB1 ALA 26 40.717 -7.192 -0.214 164 HB2 ALA 26 HB2 ALA 26 40.219 -5.743 0.665 165 HB3 ALA 26 HB3 ALA 26 39.408 -7.284 0.966 166 H GLU 27 H GLU 27 41.360 -4.741 2.522 167 HA GLU 27 HA GLU 27 40.850 -4.978 5.321 168 HB2 GLU 27 HB2 GLU 27 40.705 -2.596 3.428 169 HB3 GLU 27 HB3 GLU 27 40.575 -2.474 5.176 170 HG2 GLU 27 HG2 GLU 27 42.843 -3.128 5.513 171 HG3 GLU 27 HG3 GLU 27 42.999 -3.722 3.860 172 H CYS 28 H CYS 28 39.015 -6.408 5.180 173 HA CYS 28 HA CYS 28 36.404 -5.140 4.574 174 HB2 CYS 28 HB2 CYS 28 37.091 -8.104 4.832 175 HB3 CYS 28 HB3 CYS 28 35.532 -7.433 4.351 176 HG CYS 28 HG CYS 28 38.437 -7.437 2.561 177 H HIS 29 H HIS 29 38.078 -7.348 6.772 178 HA HIS 29 HA HIS 29 36.631 -6.228 9.094 179 HB2 HIS 29 HB2 HIS 29 37.338 -9.162 8.593 180 HB3 HIS 29 HB3 HIS 29 36.735 -8.529 10.128 181 HD1 HIS 29 HD1 HIS 29 34.281 -7.424 10.027 182 HD2 HIS 29 HD2 HIS 29 35.337 -9.812 6.787 183 HE1 HIS 29 HE1 HIS 29 32.154 -7.854 8.779 184 HE2 HIS 29 HE2 HIS 29 32.850 -9.131 6.727 185 H LEU 30 H LEU 30 37.971 -5.408 10.550 186 HA LEU 30 HA LEU 30 40.832 -6.204 10.570 187 HB2 LEU 30 HB2 LEU 30 39.746 -3.395 11.044 188 HB3 LEU 30 HB3 LEU 30 41.436 -3.871 11.019 189 HG LEU 30 HG LEU 30 39.561 -3.824 8.617 190 HD11 LEU 30 HD11 LEU 30 40.192 -1.577 9.343 191 HD12 LEU 30 HD12 LEU 30 40.967 -1.975 7.812 192 HD13 LEU 30 HD13 LEU 30 41.901 -2.028 9.308 193 HD21 LEU 30 HD21 LEU 30 41.192 -5.638 8.345 194 HD22 LEU 30 HD22 LEU 30 42.517 -4.531 8.711 195 HD23 LEU 30 HD23 LEU 30 41.561 -4.314 7.243 196 H CYS 31 H CYS 31 41.383 -7.004 12.515 197 HA CYS 31 HA CYS 31 39.947 -6.842 14.948 198 HB2 CYS 31 HB2 CYS 31 41.612 -8.576 14.615 199 HB3 CYS 31 HB3 CYS 31 42.868 -7.391 14.292 200 HA PRO 32 HA PRO 32 40.371 -2.321 15.022 201 HB2 PRO 32 HB2 PRO 32 39.425 -2.718 17.868 202 HB3 PRO 32 HB3 PRO 32 38.871 -1.557 16.651 203 HG2 PRO 32 HG2 PRO 32 37.414 -3.716 17.096 204 HG3 PRO 32 HG3 PRO 32 37.716 -3.214 15.415 205 HD2 PRO 32 HD2 PRO 32 39.028 -5.417 16.998 206 HD3 PRO 32 HD3 PRO 32 38.489 -5.420 15.309 207 H VAL 33 H VAL 33 42.156 -4.282 17.277 208 HA VAL 33 HA VAL 33 43.602 -1.994 18.414 209 HB VAL 33 HB VAL 33 44.064 -4.926 19.073 210 HG11 VAL 33 HG11 VAL 33 44.552 -2.378 20.663 211 HG12 VAL 33 HG12 VAL 33 45.784 -3.375 19.886 212 HG13 VAL 33 HG13 VAL 33 44.857 -4.022 21.238 213 HG21 VAL 33 HG21 VAL 33 42.451 -4.678 20.939 214 HG22 VAL 33 HG22 VAL 33 41.661 -4.490 19.373 215 HG23 VAL 33 HG23 VAL 33 42.020 -3.067 20.352 216 H CYS 34 H CYS 34 44.079 -4.567 16.061 217 HA CYS 34 HA CYS 34 46.688 -3.391 15.325 218 HB2 CYS 34 HB2 CYS 34 47.708 -5.529 14.917 219 HB3 CYS 34 HB3 CYS 34 47.029 -5.606 16.538 220 H GLY 35 H GLY 35 46.476 -2.563 13.321 221 HA2 GLY 35 HA2 GLY 35 44.402 -3.175 11.480 222 HA3 GLY 35 HA3 GLY 35 45.876 -2.281 11.118 223 H GLU 36 H GLU 36 44.172 -5.055 10.490 224 HA GLU 36 HA GLU 36 46.278 -6.412 9.047 225 HB2 GLU 36 HB2 GLU 36 46.763 -7.206 11.318 226 HB3 GLU 36 HB3 GLU 36 45.085 -7.670 11.570 227 HG2 GLU 36 HG2 GLU 36 45.268 -9.494 10.012 228 HG3 GLU 36 HG3 GLU 36 46.835 -8.920 9.435 229 H SER 37 H SER 37 45.306 -7.119 7.256 230 HA SER 37 HA SER 37 42.491 -6.817 6.905 231 HB2 SER 37 HB2 SER 37 44.576 -7.979 5.014 232 HB3 SER 37 HB3 SER 37 42.942 -7.482 4.573 233 HG SER 37 HG SER 37 44.264 -5.514 5.885 234 H PHE 38 H PHE 38 41.041 -8.268 7.590 235 HA PHE 38 HA PHE 38 41.496 -11.169 7.137 236 HB2 PHE 38 HB2 PHE 38 39.498 -9.874 9.054 237 HB3 PHE 38 HB3 PHE 38 39.787 -11.599 8.859 238 HD1 PHE 38 HD2 PHE 38 42.255 -12.418 9.353 239 HD2 PHE 38 HD1 PHE 38 40.627 -8.722 10.770 240 HE1 PHE 38 HE2 PHE 38 43.934 -12.362 11.154 241 HE2 PHE 38 HE1 PHE 38 42.313 -8.675 12.549 242 HZ PHE 38 HZ PHE 38 43.960 -10.488 12.754 243 H ALA 39 H ALA 39 40.318 -12.033 5.535 244 HA ALA 39 HA ALA 39 38.099 -10.696 4.256 245 HB1 ALA 39 HB1 ALA 39 37.987 -12.734 2.856 246 HB2 ALA 39 HB2 ALA 39 39.145 -13.540 3.918 247 HB3 ALA 39 HB3 ALA 39 39.642 -12.137 2.971 248 H SER 40 H SER 40 38.520 -13.556 6.325 249 HA SER 40 HA SER 40 35.704 -14.040 6.712 250 HB2 SER 40 HB2 SER 40 38.124 -15.163 8.196 251 HB3 SER 40 HB3 SER 40 36.482 -15.813 8.249 252 HG SER 40 HG SER 40 36.877 -15.826 5.771 253 H LYS 41 H LYS 41 34.468 -13.540 8.511 254 HA LYS 41 HA LYS 41 35.228 -11.155 9.959 255 HB2 LYS 41 HB2 LYS 41 32.972 -11.544 8.944 256 HB3 LYS 41 HB3 LYS 41 32.668 -12.804 10.125 257 HG2 LYS 41 HG2 LYS 41 33.338 -10.034 11.110 258 HG3 LYS 41 HG3 LYS 41 31.741 -10.322 10.436 259 HD2 LYS 41 HD2 LYS 41 32.941 -11.849 12.775 260 HD3 LYS 41 HD3 LYS 41 31.794 -10.516 12.909 261 HE2 LYS 41 HE2 LYS 41 30.096 -11.834 11.706 262 HE3 LYS 41 HE3 LYS 41 31.239 -13.167 11.528 263 HZ1 LYS 41 HZ1 LYS 41 30.293 -12.093 14.127 264 HZ2 LYS 41 HZ2 LYS 41 31.299 -13.426 13.912 265 HZ3 LYS 41 HZ3 LYS 41 29.691 -13.488 13.395 266 H GLY 42 H GLY 42 34.712 -14.580 10.714 267 HA2 GLY 42 HA2 GLY 42 34.965 -14.505 13.528 268 HA3 GLY 42 HA3 GLY 42 35.285 -15.897 12.505 269 H ALA 43 H ALA 43 37.335 -14.295 10.992 270 HA ALA 43 HA ALA 43 39.656 -14.960 12.515 271 HB1 ALA 43 HB1 ALA 43 39.604 -15.117 10.068 272 HB2 ALA 43 HB2 ALA 43 40.900 -14.050 10.607 273 HB3 ALA 43 HB3 ALA 43 39.411 -13.366 9.951 274 H GLN 44 H GLN 44 37.892 -11.996 11.872 275 HA GLN 44 HA GLN 44 39.654 -10.131 13.100 276 HB2 GLN 44 HB2 GLN 44 37.945 -9.348 11.601 277 HB3 GLN 44 HB3 GLN 44 36.672 -10.144 12.512 278 HG2 GLN 44 HG2 GLN 44 37.092 -8.529 14.391 279 HG3 GLN 44 HG3 GLN 44 38.241 -7.688 13.351 280 HE21 GLN 44 HE21 GLN 44 36.992 -5.779 13.423 281 HE22 GLN 44 HE22 GLN 44 35.489 -5.624 12.590 282 H GLU 45 H GLU 45 36.819 -11.920 14.278 283 HA GLU 45 HA GLU 45 36.678 -10.803 16.875 284 HB2 GLU 45 HB2 GLU 45 35.640 -13.486 15.878 285 HB3 GLU 45 HB3 GLU 45 35.143 -12.693 17.372 286 HG2 GLU 45 HG2 GLU 45 34.154 -10.841 16.078 287 HG3 GLU 45 HG3 GLU 45 34.694 -11.590 14.575 288 H ARG 46 H ARG 46 38.283 -13.732 15.617 289 HA ARG 46 HA ARG 46 38.918 -14.842 18.163 290 HB2 ARG 46 HB2 ARG 46 40.108 -16.548 17.016 291 HB3 ARG 46 HB3 ARG 46 38.770 -16.124 15.961 292 HG2 ARG 46 HG2 ARG 46 40.449 -14.626 14.714 293 HG3 ARG 46 HG3 ARG 46 41.701 -15.477 15.617 294 HD2 ARG 46 HD2 ARG 46 39.707 -16.683 13.671 295 HD3 ARG 46 HD3 ARG 46 41.443 -16.499 13.434 296 HE ARG 46 HE ARG 46 41.618 -18.097 15.430 297 HH11 ARG 46 HH11 ARG 46 38.959 -18.249 13.126 298 HH12 ARG 46 HH12 ARG 46 38.767 -19.966 13.284 299 HH21 ARG 46 HH21 ARG 46 41.352 -20.363 15.592 300 HH22 ARG 46 HH22 ARG 46 40.106 -21.151 14.678 301 H HIS 47 H HIS 47 40.607 -12.601 15.991 302 HA HIS 47 HA HIS 47 43.141 -12.743 17.315 303 HB2 HIS 47 HB2 HIS 47 42.394 -11.659 14.912 304 HB3 HIS 47 HB3 HIS 47 42.492 -10.185 15.868 305 HD2 HIS 47 HD2 HIS 47 44.732 -12.924 14.329 306 HE1 HIS 47 HE1 HIS 47 47.309 -10.271 16.345 307 HE2 HIS 47 HE2 HIS 47 47.170 -12.307 14.869 308 H LEU 48 H LEU 48 40.202 -11.056 17.942 309 HA LEU 48 HA LEU 48 41.310 -9.232 19.894 310 HB2 LEU 48 HB2 LEU 48 38.466 -10.068 19.215 311 HB3 LEU 48 HB3 LEU 48 38.843 -8.912 20.484 312 HG LEU 48 HG LEU 48 39.547 -8.524 17.544 313 HD11 LEU 48 HD11 LEU 48 37.118 -8.443 17.847 314 HD12 LEU 48 HD12 LEU 48 37.755 -6.837 17.500 315 HD13 LEU 48 HD13 LEU 48 37.303 -7.266 19.151 316 HD21 LEU 48 HD21 LEU 48 40.074 -6.204 18.200 317 HD22 LEU 48 HD22 LEU 48 41.106 -7.348 19.042 318 HD23 LEU 48 HD23 LEU 48 39.753 -6.597 19.891 319 H ARG 49 H ARG 49 39.079 -12.042 20.161 320 HA ARG 49 HA ARG 49 38.994 -11.938 22.968 321 HB2 ARG 49 HB2 ARG 49 37.517 -13.789 22.870 322 HB3 ARG 49 HB3 ARG 49 37.219 -12.858 21.416 323 HG2 ARG 49 HG2 ARG 49 37.204 -14.952 20.472 324 HG3 ARG 49 HG3 ARG 49 38.941 -14.661 20.374 325 HD2 ARG 49 HD2 ARG 49 39.262 -15.901 22.498 326 HD3 ARG 49 HD3 ARG 49 37.522 -16.191 22.591 327 HE ARG 49 HE ARG 49 38.399 -17.167 20.133 328 HH11 ARG 49 HH11 ARG 49 38.943 -17.922 23.518 329 HH12 ARG 49 HH12 ARG 49 39.202 -19.613 23.226 330 HH21 ARG 49 HH21 ARG 49 38.767 -19.393 19.765 331 HH22 ARG 49 HH22 ARG 49 39.113 -20.444 21.104 332 H LEU 50 H LEU 50 41.240 -13.512 20.875 333 HA LEU 50 HA LEU 50 42.404 -15.194 22.969 334 HB2 LEU 50 HB2 LEU 50 43.176 -14.684 20.074 335 HB3 LEU 50 HB3 LEU 50 44.093 -15.732 21.146 336 HG LEU 50 HG LEU 50 41.168 -16.210 20.452 337 HD11 LEU 50 HD11 LEU 50 42.501 -16.385 18.401 338 HD12 LEU 50 HD12 LEU 50 41.935 -17.972 18.916 339 HD13 LEU 50 HD13 LEU 50 43.613 -17.502 19.201 340 HD21 LEU 50 HD21 LEU 50 43.240 -18.006 21.762 341 HD22 LEU 50 HD22 LEU 50 41.588 -18.470 21.348 342 HD23 LEU 50 HD23 LEU 50 41.871 -17.232 22.569 343 H LEU 51 H LEU 51 43.686 -12.622 20.806 344 HA LEU 51 HA LEU 51 45.981 -12.270 22.618 345 HB2 LEU 51 HB2 LEU 51 45.552 -11.300 19.765 346 HB3 LEU 51 HB3 LEU 51 47.037 -11.112 20.691 347 HG LEU 51 HG LEU 51 45.831 -13.766 19.804 348 HD11 LEU 51 HD11 LEU 51 46.808 -12.549 17.924 349 HD12 LEU 51 HD12 LEU 51 47.783 -13.960 18.331 350 HD13 LEU 51 HD13 LEU 51 48.319 -12.351 18.819 351 HD21 LEU 51 HD21 LEU 51 47.900 -14.802 20.670 352 HD22 LEU 51 HD22 LEU 51 46.971 -14.041 21.957 353 HD23 LEU 51 HD23 LEU 51 48.413 -13.243 21.322 354 H HIS 52 H HIS 52 43.786 -10.200 20.729 355 HA HIS 52 HA HIS 52 44.608 -7.849 22.267 356 HB2 HIS 52 HB2 HIS 52 43.346 -8.285 19.540 357 HB3 HIS 52 HB3 HIS 52 43.241 -6.696 20.308 358 HD2 HIS 52 HD2 HIS 52 46.085 -6.245 21.505 359 HE1 HIS 52 HE1 HIS 52 47.694 -7.376 17.797 360 HE2 HIS 52 HE2 HIS 52 48.196 -6.416 20.056 361 H ALA 53 H ALA 53 43.223 -9.409 23.835 362 HA ALA 53 HA ALA 53 40.362 -8.796 23.854 363 HB1 ALA 53 HB1 ALA 53 40.238 -10.511 25.611 364 HB2 ALA 53 HB2 ALA 53 42.000 -10.637 25.633 365 HB3 ALA 53 HB3 ALA 53 41.097 -11.119 24.196 366 H ALA 54 H ALA 54 43.124 -7.358 25.087 367 HA ALA 54 HA ALA 54 42.309 -6.649 27.727 368 HB1 ALA 54 HB1 ALA 54 44.664 -6.575 27.007 369 HB2 ALA 54 HB2 ALA 54 44.145 -5.012 27.640 370 HB3 ALA 54 HB3 ALA 54 44.292 -5.253 25.897 371 H GLN 55 H GLN 55 41.756 -5.232 24.560 372 HA GLN 55 HA GLN 55 40.717 -2.720 25.614 373 HB2 GLN 55 HB2 GLN 55 40.847 -3.681 22.727 374 HB3 GLN 55 HB3 GLN 55 40.529 -2.034 23.270 375 HG2 GLN 55 HG2 GLN 55 43.123 -3.569 23.600 376 HG3 GLN 55 HG3 GLN 55 42.822 -2.258 22.464 377 HE21 GLN 55 HE21 GLN 55 44.837 -2.487 24.587 378 HE22 GLN 55 HE22 GLN 55 44.611 -1.122 25.621 379 H VAL 56 H VAL 56 39.482 -5.739 24.317 380 HA VAL 56 HA VAL 56 36.727 -4.678 24.196 381 HB VAL 56 HB VAL 56 36.149 -6.736 22.932 382 HG11 VAL 56 HG11 VAL 56 36.833 -4.731 21.687 383 HG12 VAL 56 HG12 VAL 56 37.350 -6.188 20.841 384 HG13 VAL 56 HG13 VAL 56 38.524 -5.242 21.756 385 HG21 VAL 56 HG21 VAL 56 37.804 -8.326 23.852 386 HG22 VAL 56 HG22 VAL 56 39.116 -7.439 23.074 387 HG23 VAL 56 HG23 VAL 56 37.908 -8.272 22.093 388 H PHE 57 H PHE 57 35.075 -5.570 25.411 389 HA PHE 57 HA PHE 57 35.890 -7.185 27.763 390 HB2 PHE 57 HB2 PHE 57 33.811 -4.960 27.528 391 HB3 PHE 57 HB3 PHE 57 34.087 -5.925 28.975 392 HD1 PHE 57 HD1 PHE 57 35.580 -3.349 26.744 393 HD2 PHE 57 HD2 PHE 57 35.958 -5.458 30.450 394 HE1 PHE 57 HE1 PHE 57 37.316 -1.768 27.475 395 HE2 PHE 57 HE2 PHE 57 37.688 -3.863 31.174 396 HZ PHE 57 HZ PHE 57 38.368 -2.020 29.688 397 HA PRO 58 HA PRO 58 32.626 -9.822 25.801 398 HB2 PRO 58 HB2 PRO 58 33.694 -12.238 26.385 399 HB3 PRO 58 HB3 PRO 58 34.324 -11.238 25.067 400 HG2 PRO 58 HG2 PRO 58 35.403 -11.607 27.857 401 HG3 PRO 58 HG3 PRO 58 36.282 -11.548 26.313 402 HD2 PRO 58 HD2 PRO 58 36.040 -9.397 28.051 403 HD3 PRO 58 HD3 PRO 58 36.340 -9.233 26.308 404 H CYS 59 H CYS 59 30.757 -9.905 26.936 405 HA CYS 59 HA CYS 59 30.522 -10.301 29.766 406 HB2 CYS 59 HB2 CYS 59 28.747 -9.086 28.707 407 HB3 CYS 59 HB3 CYS 59 28.526 -10.309 27.468 408 H LYS 60 H LYS 60 31.065 -12.196 30.720 409 HA LYS 60 HA LYS 60 32.229 -14.174 29.168 410 HB2 LYS 60 HB2 LYS 60 32.686 -15.362 31.318 411 HB3 LYS 60 HB3 LYS 60 33.070 -13.647 31.365 412 HG2 LYS 60 HG2 LYS 60 30.959 -13.204 32.584 413 HG3 LYS 60 HG3 LYS 60 30.586 -14.929 32.555 414 HD2 LYS 60 HD2 LYS 60 32.584 -15.404 33.919 415 HD3 LYS 60 HD3 LYS 60 33.024 -13.694 33.905 416 HE2 LYS 60 HE2 LYS 60 30.964 -13.153 35.146 417 HE3 LYS 60 HE3 LYS 60 30.501 -14.854 35.138 418 HZ1 LYS 60 HZ1 LYS 60 31.486 -14.239 37.228 419 HZ2 LYS 60 HZ2 LYS 60 32.890 -13.703 36.458 420 HZ3 LYS 60 HZ3 LYS 60 32.487 -15.343 36.430 421 H TYR 61 H TYR 61 28.972 -14.208 30.379 422 HA TYR 61 HA TYR 61 28.622 -17.070 30.339 423 HB2 TYR 61 HB2 TYR 61 26.496 -14.896 30.409 424 HB3 TYR 61 HB3 TYR 61 26.281 -16.585 30.850 425 HD1 TYR 61 HD2 TYR 61 27.372 -17.460 32.967 426 HD2 TYR 61 HD1 TYR 61 27.370 -13.294 32.003 427 HE1 TYR 61 HE2 TYR 61 27.843 -16.910 35.316 428 HE2 TYR 61 HE1 TYR 61 27.846 -12.754 34.354 429 HH TYR 61 HH TYR 61 28.735 -15.127 36.663 430 H CYS 62 H CYS 62 28.439 -14.567 27.971 431 HA CYS 62 HA CYS 62 27.443 -16.445 25.913 432 HB2 CYS 62 HB2 CYS 62 26.169 -14.618 24.847 433 HB3 CYS 62 HB3 CYS 62 25.600 -14.849 26.495 434 HA PRO 63 HA PRO 63 31.107 -14.882 23.712 435 HB2 PRO 63 HB2 PRO 63 30.498 -15.380 21.100 436 HB3 PRO 63 HB3 PRO 63 30.794 -16.685 22.260 437 HG2 PRO 63 HG2 PRO 63 28.148 -15.540 21.350 438 HG3 PRO 63 HG3 PRO 63 28.648 -17.245 21.438 439 HD2 PRO 63 HD2 PRO 63 27.159 -16.087 23.397 440 HD3 PRO 63 HD3 PRO 63 28.366 -17.337 23.767 441 H ALA 64 H ALA 64 28.221 -13.194 23.698 442 HA ALA 64 HA ALA 64 28.630 -11.137 21.814 443 HB1 ALA 64 HB1 ALA 64 26.472 -11.481 22.964 444 HB2 ALA 64 HB2 ALA 64 27.034 -9.822 23.163 445 HB3 ALA 64 HB3 ALA 64 27.191 -10.974 24.492 446 H THR 65 H THR 65 30.671 -10.356 21.743 447 HA THR 65 HA THR 65 32.075 -9.452 24.147 448 HB THR 65 HB THR 65 33.065 -9.553 21.255 449 HG1 THR 65 HG1 THR 65 32.473 -11.611 22.280 450 HG21 THR 65 HG21 THR 65 35.312 -9.479 22.283 451 HG22 THR 65 HG22 THR 65 34.592 -9.303 23.883 452 HG23 THR 65 HG23 THR 65 34.397 -8.024 22.680 453 H PHE 66 H PHE 66 32.028 -7.386 24.741 454 HA PHE 66 HA PHE 66 30.945 -5.311 22.985 455 HB2 PHE 66 HB2 PHE 66 31.606 -5.327 25.971 456 HB3 PHE 66 HB3 PHE 66 30.981 -3.916 25.103 457 HD1 PHE 66 HD1 PHE 66 28.683 -3.876 24.233 458 HD2 PHE 66 HD2 PHE 66 30.145 -7.265 26.412 459 HE1 PHE 66 HE1 PHE 66 26.387 -4.723 24.463 460 HE2 PHE 66 HE2 PHE 66 27.842 -8.090 26.645 461 HZ PHE 66 HZ PHE 66 25.971 -6.822 25.668 462 H TYR 67 H TYR 67 31.994 -3.270 22.788 463 HA TYR 67 HA TYR 67 34.957 -3.379 22.803 464 HB2 TYR 67 HB2 TYR 67 33.006 -1.829 21.033 465 HB3 TYR 67 HB3 TYR 67 34.752 -1.585 21.003 466 HD1 TYR 67 HD1 TYR 67 32.117 -4.226 20.464 467 HD2 TYR 67 HD2 TYR 67 36.107 -2.957 19.589 468 HE1 TYR 67 HE1 TYR 67 32.343 -6.048 18.829 469 HE2 TYR 67 HE2 TYR 67 36.325 -4.777 17.956 470 HH TYR 67 HH TYR 67 33.691 -6.576 16.819 471 H SER 68 H SER 68 33.005 -2.623 24.973 472 HA SER 68 HA SER 68 34.328 -0.218 25.883 473 HB2 SER 68 HB2 SER 68 32.359 0.620 24.517 474 HB3 SER 68 HB3 SER 68 31.283 -0.218 25.635 475 HG SER 68 HG SER 68 33.056 1.925 26.170 476 H SER 69 H SER 69 34.041 0.126 28.138 477 HA SER 69 HA SER 69 33.953 -2.294 29.621 478 HB2 SER 69 HB2 SER 69 35.579 -0.496 30.128 479 HB3 SER 69 HB3 SER 69 34.257 0.562 30.621 480 HG SER 69 HG SER 69 35.441 -1.539 31.963 481 HA PRO 70 HA PRO 70 29.923 -0.339 31.772 482 HB2 PRO 70 HB2 PRO 70 28.358 1.240 30.087 483 HB3 PRO 70 HB3 PRO 70 29.466 1.876 31.312 484 HG2 PRO 70 HG2 PRO 70 29.939 1.469 28.359 485 HG3 PRO 70 HG3 PRO 70 30.345 2.874 29.374 486 HD2 PRO 70 HD2 PRO 70 32.238 1.101 28.713 487 HD3 PRO 70 HD3 PRO 70 32.190 1.781 30.353 488 H GLY 71 H GLY 71 29.880 -0.866 28.227 489 HA2 GLY 71 HA2 GLY 71 27.389 -2.094 27.921 490 HA3 GLY 71 HA3 GLY 71 28.775 -2.365 26.882 491 H LEU 72 H LEU 72 30.425 -3.466 28.980 492 HA LEU 72 HA LEU 72 30.003 -6.197 28.836 493 HB2 LEU 72 HB2 LEU 72 32.135 -5.188 29.432 494 HB3 LEU 72 HB3 LEU 72 31.459 -4.514 30.903 495 HG LEU 72 HG LEU 72 31.218 -6.826 31.835 496 HD11 LEU 72 HD11 LEU 72 30.987 -8.087 29.767 497 HD12 LEU 72 HD12 LEU 72 32.330 -8.708 30.720 498 HD13 LEU 72 HD13 LEU 72 32.649 -7.694 29.312 499 HD21 LEU 72 HD21 LEU 72 33.616 -7.236 32.223 500 HD22 LEU 72 HD22 LEU 72 33.225 -5.525 32.364 501 HD23 LEU 72 HD23 LEU 72 34.024 -6.127 30.908 502 H THR 73 H THR 73 29.401 -4.128 31.706 503 HA THR 73 HA THR 73 28.034 -6.184 33.165 504 HB THR 73 HB THR 73 29.292 -4.495 34.388 505 HG1 THR 73 HG1 THR 73 26.963 -5.333 35.056 506 HG21 THR 73 HG21 THR 73 29.002 -2.529 32.935 507 HG22 THR 73 HG22 THR 73 28.547 -2.148 34.596 508 HG23 THR 73 HG23 THR 73 27.296 -2.432 33.385 509 H ARG 74 H ARG 74 27.019 -3.648 30.953 510 HA ARG 74 HA ARG 74 24.306 -3.448 31.737 511 HB2 ARG 74 HB2 ARG 74 25.612 -2.856 29.058 512 HB3 ARG 74 HB3 ARG 74 23.910 -2.541 29.397 513 HG2 ARG 74 HG2 ARG 74 24.652 -1.037 31.293 514 HG3 ARG 74 HG3 ARG 74 26.307 -1.241 30.717 515 HD2 ARG 74 HD2 ARG 74 25.402 0.838 29.830 516 HD3 ARG 74 HD3 ARG 74 25.617 -0.312 28.502 517 HE ARG 74 HE ARG 74 23.026 -0.663 29.397 518 HH11 ARG 74 HH11 ARG 74 24.811 2.010 27.973 519 HH12 ARG 74 HH12 ARG 74 23.390 2.733 27.294 520 HH21 ARG 74 HH21 ARG 74 21.208 0.295 28.538 521 HH22 ARG 74 HH22 ARG 74 21.336 1.769 27.628 522 H HIS 75 H HIS 75 25.960 -5.891 29.800 523 HA HIS 75 HA HIS 75 23.531 -6.993 28.743 524 HB2 HIS 75 HB2 HIS 75 26.134 -7.521 28.102 525 HB3 HIS 75 HB3 HIS 75 25.833 -8.898 29.152 526 HD2 HIS 75 HD2 HIS 75 24.118 -7.241 26.023 527 HE1 HIS 75 HE1 HIS 75 23.366 -11.372 25.884 528 HE2 HIS 75 HE2 HIS 75 23.216 -9.197 24.630 529 H ILE 76 H ILE 76 25.605 -7.770 31.510 530 HA ILE 76 HA ILE 76 24.144 -9.952 32.537 531 HB ILE 76 HB ILE 76 26.028 -8.014 33.957 532 HG12 ILE 76 HG12 ILE 76 26.601 -10.755 32.708 533 HG13 ILE 76 HG13 ILE 76 27.017 -9.211 31.977 534 HG21 ILE 76 HG21 ILE 76 26.365 -9.807 35.649 535 HG22 ILE 76 HG22 ILE 76 25.119 -10.781 34.864 536 HG23 ILE 76 HG23 ILE 76 24.694 -9.246 35.622 537 HD11 ILE 76 HD11 ILE 76 28.139 -10.319 34.547 538 HD12 ILE 76 HD12 ILE 76 28.556 -8.759 33.828 539 HD13 ILE 76 HD13 ILE 76 28.943 -10.254 32.979 540 H ASN 77 H ASN 77 23.741 -6.492 32.930 541 HA ASN 77 HA ASN 77 21.834 -6.660 35.102 542 HB2 ASN 77 HB2 ASN 77 22.748 -4.343 33.351 543 HB3 ASN 77 HB3 ASN 77 21.556 -4.169 34.633 544 HD21 ASN 77 HD21 ASN 77 22.889 -2.684 35.733 545 HD22 ASN 77 HD22 ASN 77 24.294 -3.188 36.608 546 H LYS 78 H LYS 78 21.671 -5.905 31.591 547 HA LYS 78 HA LYS 78 18.748 -5.679 31.722 548 HB2 LYS 78 HB2 LYS 78 19.983 -3.922 30.552 549 HB3 LYS 78 HB3 LYS 78 20.721 -5.111 29.486 550 HG2 LYS 78 HG2 LYS 78 18.399 -5.643 28.616 551 HG3 LYS 78 HG3 LYS 78 17.809 -4.267 29.554 552 HD2 LYS 78 HD2 LYS 78 19.288 -2.753 28.288 553 HD3 LYS 78 HD3 LYS 78 19.932 -4.121 27.379 554 HE2 LYS 78 HE2 LYS 78 17.639 -4.538 26.474 555 HE3 LYS 78 HE3 LYS 78 17.078 -3.086 27.303 556 HZ1 LYS 78 HZ1 LYS 78 19.186 -3.167 25.206 557 HZ2 LYS 78 HZ2 LYS 78 18.616 -1.774 25.977 558 HZ3 LYS 78 HZ3 LYS 78 17.585 -2.670 24.973 559 H CYS 79 H CYS 79 21.098 -7.416 29.622 560 HA CYS 79 HA CYS 79 18.861 -8.937 28.431 561 HB2 CYS 79 HB2 CYS 79 20.149 -7.470 26.925 562 HB3 CYS 79 HB3 CYS 79 21.632 -8.319 27.342 563 HG CYS 79 HG CYS 79 19.513 -10.554 26.290 564 H HIS 80 H HIS 80 20.899 -9.523 30.828 565 HA HIS 80 HA HIS 80 20.913 -12.397 30.449 566 HB2 HIS 80 HB2 HIS 80 23.238 -10.964 29.636 567 HB3 HIS 80 HB3 HIS 80 23.654 -11.533 31.244 568 HD2 HIS 80 HD2 HIS 80 21.719 -14.372 30.308 569 HE1 HIS 80 HE1 HIS 80 25.319 -15.036 28.248 570 HE2 HIS 80 HE2 HIS 80 23.078 -15.998 28.850 571 HA PRO 81 HA PRO 81 20.678 -10.256 34.684 572 HB2 PRO 81 HB2 PRO 81 18.040 -9.918 35.089 573 HB3 PRO 81 HB3 PRO 81 18.933 -8.902 33.952 574 HG2 PRO 81 HG2 PRO 81 17.015 -11.118 33.400 575 HG3 PRO 81 HG3 PRO 81 17.378 -9.676 32.432 576 HD2 PRO 81 HD2 PRO 81 18.445 -12.335 32.093 577 HD3 PRO 81 HD3 PRO 81 18.861 -10.877 31.168 578 H SER 82 H SER 82 20.059 -13.324 33.793 579 HA SER 82 HA SER 82 19.168 -14.313 36.427 580 HB2 SER 82 HB2 SER 82 19.088 -16.527 35.208 581 HB3 SER 82 HB3 SER 82 18.057 -15.297 34.478 582 HG SER 82 HG SER 82 20.594 -16.202 33.581 583 H GLU 83 H GLU 83 22.003 -13.545 34.779 584 HA GLU 83 HA GLU 83 23.572 -15.859 35.712 585 HB2 GLU 83 HB2 GLU 83 24.150 -13.788 33.557 586 HB3 GLU 83 HB3 GLU 83 25.188 -15.150 33.958 587 HG2 GLU 83 HG2 GLU 83 22.389 -15.306 32.806 588 HG3 GLU 83 HG3 GLU 83 23.896 -15.596 31.939 589 H ASN 84 H ASN 84 24.005 -15.236 37.826 590 HA ASN 84 HA ASN 84 25.910 -12.989 38.208 591 HB2 ASN 84 HB2 ASN 84 23.479 -13.750 39.869 592 HB3 ASN 84 HB3 ASN 84 24.845 -12.958 40.641 593 HD21 ASN 84 HD21 ASN 84 23.480 -11.202 41.165 594 HD22 ASN 84 HD22 ASN 84 23.048 -10.019 39.983 595 H ARG 85 H ARG 85 26.435 -15.791 37.619 596 HA ARG 85 HA ARG 85 27.223 -17.063 40.116 597 HB2 ARG 85 HB2 ARG 85 26.324 -18.359 38.159 598 HB3 ARG 85 HB3 ARG 85 27.786 -17.973 37.255 599 HG2 ARG 85 HG2 ARG 85 29.131 -19.172 38.982 600 HG3 ARG 85 HG3 ARG 85 27.641 -19.585 39.827 601 HD2 ARG 85 HD2 ARG 85 26.889 -20.850 37.818 602 HD3 ARG 85 HD3 ARG 85 28.438 -20.497 37.042 603 HE ARG 85 HE ARG 85 28.140 -22.054 39.547 604 HH11 ARG 85 HH11 ARG 85 29.804 -21.543 36.500 605 HH12 ARG 85 HH12 ARG 85 30.871 -22.891 36.723 606 HH21 ARG 85 HH21 ARG 85 29.532 -23.804 39.827 607 HH22 ARG 85 HH22 ARG 85 30.712 -24.187 38.611 Start of MODEL 2 1 H1 MET 1 H1 MET 1 44.500 19.644 71.312 2 H2 MET 1 H2 MET 1 42.838 19.530 71.587 3 H3 MET 1 H3 MET 1 43.480 20.930 70.888 4 HA MET 1 HA MET 1 42.393 19.591 69.235 5 HB2 MET 1 HB2 MET 1 45.435 19.493 68.970 6 HB3 MET 1 HB3 MET 1 44.299 19.359 67.633 7 HG2 MET 1 HG2 MET 1 43.560 21.652 67.994 8 HG3 MET 1 HG3 MET 1 44.629 21.800 69.393 9 HE1 MET 1 HE1 MET 1 47.296 21.701 69.218 10 HE2 MET 1 HE2 MET 1 48.172 21.567 67.696 11 HE3 MET 1 HE3 MET 1 47.254 20.190 68.302 12 H GLY 2 H GLY 2 41.749 17.529 68.625 13 HA2 GLY 2 HA2 GLY 2 43.358 15.173 69.014 14 HA3 GLY 2 HA3 GLY 2 42.099 15.331 70.233 15 H HIS 3 H HIS 3 41.549 16.495 66.989 16 HA HIS 3 HA HIS 3 39.536 14.460 66.452 17 HB2 HIS 3 HB2 HIS 3 40.489 16.831 64.772 18 HB3 HIS 3 HB3 HIS 3 39.167 15.755 64.323 19 HD1 HIS 3 HD1 HIS 3 39.847 18.871 66.053 20 HD2 HIS 3 HD2 HIS 3 36.913 15.928 66.260 21 HE1 HIS 3 HE1 HIS 3 37.890 19.940 67.202 22 HE2 HIS 3 HE2 HIS 3 36.220 18.088 67.486 23 H HIS 4 H HIS 4 40.216 12.519 65.666 24 HA HIS 4 HA HIS 4 42.733 12.191 64.257 25 HB2 HIS 4 HB2 HIS 4 40.529 10.187 64.906 26 HB3 HIS 4 HB3 HIS 4 42.072 9.771 64.163 27 HD1 HIS 4 HD1 HIS 4 40.482 10.417 67.435 28 HD2 HIS 4 HD2 HIS 4 44.343 10.068 65.931 29 HE1 HIS 4 HE1 HIS 4 41.969 10.180 69.439 30 HE2 HIS 4 HE2 HIS 4 44.305 10.137 68.507 31 H HIS 5 H HIS 5 42.450 10.534 62.226 32 HA HIS 5 HA HIS 5 40.205 11.296 60.508 33 HB2 HIS 5 HB2 HIS 5 41.863 13.004 59.947 34 HB3 HIS 5 HB3 HIS 5 43.113 11.786 59.742 35 HD1 HIS 5 HD1 HIS 5 43.476 11.015 57.386 36 HD2 HIS 5 HD2 HIS 5 39.706 12.693 57.886 37 HE1 HIS 5 HE1 HIS 5 42.443 11.059 55.101 38 HE2 HIS 5 HE2 HIS 5 40.167 12.067 55.432 39 H HIS 6 H HIS 6 39.455 9.578 59.491 40 HA HIS 6 HA HIS 6 40.943 7.083 59.259 41 HB2 HIS 6 HB2 HIS 6 38.128 7.873 58.372 42 HB3 HIS 6 HB3 HIS 6 38.802 6.255 58.215 43 HD1 HIS 6 HD1 HIS 6 38.318 4.718 60.108 44 HD2 HIS 6 HD2 HIS 6 37.976 8.706 61.249 45 HE1 HIS 6 HE1 HIS 6 37.456 4.681 62.464 46 HE2 HIS 6 HE2 HIS 6 37.364 7.087 63.168 47 H HIS 7 H HIS 7 42.489 7.205 57.719 48 HA HIS 7 HA HIS 7 42.295 8.583 55.245 49 HB2 HIS 7 HB2 HIS 7 44.479 8.024 56.206 50 HB3 HIS 7 HB3 HIS 7 44.138 6.298 56.063 51 HD1 HIS 7 HD1 HIS 7 45.331 5.308 54.108 52 HD2 HIS 7 HD2 HIS 7 44.207 9.243 53.366 53 HE1 HIS 7 HE1 HIS 7 46.071 5.794 51.759 54 HE2 HIS 7 HE2 HIS 7 45.494 8.216 51.382 55 H HIS 8 H HIS 8 40.421 8.042 54.184 56 HA HIS 8 HA HIS 8 39.776 5.346 53.412 57 HB2 HIS 8 HB2 HIS 8 37.964 6.965 53.536 58 HB3 HIS 8 HB3 HIS 8 38.766 8.033 52.387 59 HD1 HIS 8 HD1 HIS 8 38.126 7.727 49.976 60 HD2 HIS 8 HD2 HIS 8 37.121 4.412 52.275 61 HE1 HIS 8 HE1 HIS 8 36.868 6.194 48.440 62 HE2 HIS 8 HE2 HIS 8 36.235 4.224 49.861 63 H SER 9 H SER 9 41.275 4.313 52.216 64 HA SER 9 HA SER 9 42.915 5.546 50.193 65 HB2 SER 9 HB2 SER 9 43.616 3.573 51.601 66 HB3 SER 9 HB3 SER 9 42.430 2.587 50.749 67 HG SER 9 HG SER 9 44.676 3.915 49.608 68 H HIS 10 H HIS 10 42.958 4.329 47.965 69 HA HIS 10 HA HIS 10 40.313 3.579 46.917 70 HB2 HIS 10 HB2 HIS 10 40.468 5.067 45.000 71 HB3 HIS 10 HB3 HIS 10 40.702 6.051 46.435 72 HD1 HIS 10 HD1 HIS 10 42.227 5.184 43.241 73 HD2 HIS 10 HD2 HIS 10 43.549 6.807 46.834 74 HE1 HIS 10 HE1 HIS 10 44.488 6.128 42.756 75 HE2 HIS 10 HE2 HIS 10 45.205 7.225 44.901 76 H MET 11 H MET 11 40.442 2.022 45.357 77 HA MET 11 HA MET 11 42.817 0.500 44.994 78 HB2 MET 11 HB2 MET 11 40.192 0.443 43.430 79 HB3 MET 11 HB3 MET 11 41.449 -0.786 43.329 80 HG2 MET 11 HG2 MET 11 41.092 -1.372 45.679 81 HG3 MET 11 HG3 MET 11 39.869 -0.108 45.828 82 HE1 MET 11 HE1 MET 11 38.153 -1.930 46.806 83 HE2 MET 11 HE2 MET 11 39.387 -3.183 46.641 84 HE3 MET 11 HE3 MET 11 37.773 -3.443 45.983 85 H GLY 12 H GLY 12 44.511 1.137 43.797 86 HA2 GLY 12 HA2 GLY 12 44.321 3.290 41.853 87 HA3 GLY 12 HA3 GLY 12 45.783 2.504 42.427 88 H ASP 13 H ASP 13 42.966 0.956 40.979 89 HA ASP 13 HA ASP 13 44.482 -0.257 38.831 90 HB2 ASP 13 HB2 ASP 13 41.507 -0.327 39.517 91 HB3 ASP 13 HB3 ASP 13 42.247 -1.263 38.216 92 H GLY 14 H GLY 14 44.511 0.423 36.746 93 HA2 GLY 14 HA2 GLY 14 42.695 2.531 35.791 94 HA3 GLY 14 HA3 GLY 14 44.423 2.884 35.835 95 H GLU 15 H GLU 15 45.046 2.870 33.756 96 HA GLU 15 HA GLU 15 44.977 0.492 32.138 97 HB2 GLU 15 HB2 GLU 15 43.593 1.427 30.287 98 HB3 GLU 15 HB3 GLU 15 42.641 1.266 31.762 99 HG2 GLU 15 HG2 GLU 15 43.147 3.754 32.181 100 HG3 GLU 15 HG3 GLU 15 43.758 3.798 30.525 101 H GLY 16 H GLY 16 45.719 1.282 29.738 102 HA2 GLY 16 HA2 GLY 16 47.035 3.590 29.138 103 HA3 GLY 16 HA3 GLY 16 48.216 2.706 30.096 104 H ALA 17 H ALA 17 46.411 2.770 27.109 105 HA ALA 17 HA ALA 17 48.319 0.857 25.900 106 HB1 ALA 17 HB1 ALA 17 45.322 0.942 25.333 107 HB2 ALA 17 HB2 ALA 17 46.166 -0.316 26.238 108 HB3 ALA 17 HB3 ALA 17 46.508 -0.087 24.525 109 H GLY 18 H GLY 18 49.539 2.133 24.627 110 HA2 GLY 18 HA2 GLY 18 48.431 4.391 23.131 111 HA3 GLY 18 HA3 GLY 18 50.118 3.897 23.205 112 H VAL 19 H VAL 19 46.958 2.920 21.897 113 HA VAL 19 HA VAL 19 47.947 0.833 20.238 114 HB VAL 19 HB VAL 19 45.678 0.776 19.219 115 HG11 VAL 19 HG11 VAL 19 46.074 -0.439 21.324 116 HG12 VAL 19 HG12 VAL 19 44.425 0.185 21.277 117 HG13 VAL 19 HG13 VAL 19 45.644 0.997 22.257 118 HG21 VAL 19 HG21 VAL 19 43.896 2.315 20.031 119 HG22 VAL 19 HG22 VAL 19 45.161 3.193 19.177 120 HG23 VAL 19 HG23 VAL 19 45.102 3.233 20.938 121 H LEU 20 H LEU 20 48.060 0.690 17.991 122 HA LEU 20 HA LEU 20 48.928 3.191 16.670 123 HB2 LEU 20 HB2 LEU 20 49.588 0.321 15.899 124 HB3 LEU 20 HB3 LEU 20 50.338 1.783 15.281 125 HG LEU 20 HG LEU 20 50.605 0.721 18.125 126 HD11 LEU 20 HD11 LEU 20 51.845 -0.642 16.507 127 HD12 LEU 20 HD12 LEU 20 52.940 0.259 17.551 128 HD13 LEU 20 HD13 LEU 20 52.662 0.801 15.895 129 HD21 LEU 20 HD21 LEU 20 50.687 3.181 18.130 130 HD22 LEU 20 HD22 LEU 20 51.930 3.163 16.877 131 HD23 LEU 20 HD23 LEU 20 52.279 2.509 18.479 132 H GLY 21 H GLY 21 47.199 4.012 15.563 133 HA2 GLY 21 HA2 GLY 21 46.128 2.555 13.293 134 HA3 GLY 21 HA3 GLY 21 44.947 2.853 14.568 135 H LEU 22 H LEU 22 47.590 5.066 13.809 136 HA LEU 22 HA LEU 22 45.802 7.283 13.559 137 HB2 LEU 22 HB2 LEU 22 47.932 8.601 13.053 138 HB3 LEU 22 HB3 LEU 22 47.858 7.768 14.592 139 HG LEU 22 HG LEU 22 49.298 5.917 13.510 140 HD11 LEU 22 HD11 LEU 22 50.749 6.570 11.628 141 HD12 LEU 22 HD12 LEU 22 49.808 8.051 11.417 142 HD13 LEU 22 HD13 LEU 22 49.056 6.477 11.155 143 HD21 LEU 22 HD21 LEU 22 51.398 7.126 13.944 144 HD22 LEU 22 HD22 LEU 22 50.188 7.467 15.175 145 HD23 LEU 22 HD23 LEU 22 50.527 8.663 13.922 146 H SER 23 H SER 23 47.273 5.149 11.242 147 HA SER 23 HA SER 23 46.055 6.679 9.003 148 HB2 SER 23 HB2 SER 23 47.717 5.428 7.538 149 HB3 SER 23 HB3 SER 23 48.449 6.579 8.643 150 HG SER 23 HG SER 23 48.199 3.880 9.396 151 H ALA 24 H ALA 24 44.069 5.798 8.878 152 HA ALA 24 HA ALA 24 43.782 3.044 7.977 153 HB1 ALA 24 HB1 ALA 24 42.045 2.478 9.648 154 HB2 ALA 24 HB2 ALA 24 42.307 4.020 10.463 155 HB3 ALA 24 HB3 ALA 24 43.589 2.808 10.437 156 H SER 25 H SER 25 42.125 2.869 6.538 157 HA SER 25 HA SER 25 39.948 4.850 6.429 158 HB2 SER 25 HB2 SER 25 41.809 5.528 4.812 159 HB3 SER 25 HB3 SER 25 41.543 4.001 3.967 160 HG SER 25 HG SER 25 39.620 6.049 4.363 161 H ALA 26 H ALA 26 40.205 2.136 7.391 162 HA ALA 26 HA ALA 26 39.249 0.118 7.443 163 HB1 ALA 26 HB1 ALA 26 37.074 -0.271 6.364 164 HB2 ALA 26 HB2 ALA 26 37.293 1.180 5.380 165 HB3 ALA 26 HB3 ALA 26 37.120 1.320 7.128 166 H GLU 27 H GLU 27 38.467 -1.770 5.865 167 HA GLU 27 HA GLU 27 39.849 -1.979 3.351 168 HB2 GLU 27 HB2 GLU 27 41.739 -2.416 4.901 169 HB3 GLU 27 HB3 GLU 27 40.791 -3.627 5.753 170 HG2 GLU 27 HG2 GLU 27 42.425 -4.695 4.310 171 HG3 GLU 27 HG3 GLU 27 40.794 -5.063 3.751 172 H CYS 28 H CYS 28 38.863 -4.289 5.886 173 HA CYS 28 HA CYS 28 36.422 -5.052 4.483 174 HB2 CYS 28 HB2 CYS 28 38.572 -7.113 5.148 175 HB3 CYS 28 HB3 CYS 28 36.979 -7.464 4.483 176 HG CYS 28 HG CYS 28 38.324 -5.394 2.393 177 H HIS 29 H HIS 29 38.465 -6.545 7.017 178 HA HIS 29 HA HIS 29 36.775 -5.512 9.187 179 HB2 HIS 29 HB2 HIS 29 37.417 -8.485 8.815 180 HB3 HIS 29 HB3 HIS 29 36.798 -7.800 10.313 181 HD1 HIS 29 HD1 HIS 29 34.294 -7.101 10.352 182 HD2 HIS 29 HD2 HIS 29 35.520 -8.844 6.791 183 HE1 HIS 29 HE1 HIS 29 32.189 -7.631 9.100 184 HE2 HIS 29 HE2 HIS 29 32.956 -8.820 7.024 185 H LEU 30 H LEU 30 38.099 -4.720 10.734 186 HA LEU 30 HA LEU 30 40.952 -5.566 10.800 187 HB2 LEU 30 HB2 LEU 30 39.723 -2.906 11.632 188 HB3 LEU 30 HB3 LEU 30 41.429 -3.313 11.744 189 HG LEU 30 HG LEU 30 39.829 -2.979 9.175 190 HD11 LEU 30 HD11 LEU 30 40.318 -0.832 10.253 191 HD12 LEU 30 HD12 LEU 30 41.235 -1.011 8.759 192 HD13 LEU 30 HD13 LEU 30 42.036 -1.241 10.314 193 HD21 LEU 30 HD21 LEU 30 41.952 -3.275 7.960 194 HD22 LEU 30 HD22 LEU 30 41.516 -4.729 8.854 195 HD23 LEU 30 HD23 LEU 30 42.772 -3.658 9.478 196 H CYS 31 H CYS 31 41.815 -6.214 12.695 197 HA CYS 31 HA CYS 31 40.246 -6.479 15.148 198 HB2 CYS 31 HB2 CYS 31 41.828 -8.278 14.529 199 HB3 CYS 31 HB3 CYS 31 43.146 -7.126 14.411 200 HA PRO 32 HA PRO 32 41.253 -1.984 15.350 201 HB2 PRO 32 HB2 PRO 32 40.039 -1.458 17.825 202 HB3 PRO 32 HB3 PRO 32 39.211 -1.491 16.265 203 HG2 PRO 32 HG2 PRO 32 39.462 -3.697 18.314 204 HG3 PRO 32 HG3 PRO 32 38.016 -3.145 17.436 205 HD2 PRO 32 HD2 PRO 32 39.279 -5.333 16.633 206 HD3 PRO 32 HD3 PRO 32 38.718 -4.164 15.419 207 H VAL 33 H VAL 33 42.395 -4.248 17.729 208 HA VAL 33 HA VAL 33 43.938 -2.334 19.285 209 HB VAL 33 HB VAL 33 44.186 -5.370 19.393 210 HG11 VAL 33 HG11 VAL 33 44.844 -4.984 21.745 211 HG12 VAL 33 HG12 VAL 33 44.689 -3.241 21.511 212 HG13 VAL 33 HG13 VAL 33 45.920 -4.144 20.626 213 HG21 VAL 33 HG21 VAL 33 42.128 -3.674 20.872 214 HG22 VAL 33 HG22 VAL 33 42.428 -5.392 21.147 215 HG23 VAL 33 HG23 VAL 33 41.790 -4.845 19.597 216 H CYS 34 H CYS 34 44.503 -4.519 16.579 217 HA CYS 34 HA CYS 34 47.312 -3.617 16.312 218 HB2 CYS 34 HB2 CYS 34 48.183 -5.814 16.051 219 HB3 CYS 34 HB3 CYS 34 47.092 -5.968 17.421 220 H GLY 35 H GLY 35 48.055 -3.492 14.132 221 HA2 GLY 35 HA2 GLY 35 46.151 -3.202 12.029 222 HA3 GLY 35 HA3 GLY 35 47.909 -3.260 11.840 223 H GLU 36 H GLU 36 45.072 -4.865 11.109 224 HA GLU 36 HA GLU 36 46.194 -7.375 10.326 225 HB2 GLU 36 HB2 GLU 36 46.183 -7.554 12.890 226 HB3 GLU 36 HB3 GLU 36 44.428 -7.478 12.822 227 HG2 GLU 36 HG2 GLU 36 45.082 -9.766 13.075 228 HG3 GLU 36 HG3 GLU 36 44.418 -9.544 11.458 229 H SER 37 H SER 37 44.989 -7.612 8.514 230 HA SER 37 HA SER 37 42.163 -6.722 8.476 231 HB2 SER 37 HB2 SER 37 42.575 -6.443 6.004 232 HB3 SER 37 HB3 SER 37 43.594 -5.417 7.013 233 HG SER 37 HG SER 37 44.386 -7.911 5.883 234 H PHE 38 H PHE 38 40.598 -8.142 7.921 235 HA PHE 38 HA PHE 38 41.190 -10.700 6.584 236 HB2 PHE 38 HB2 PHE 38 39.436 -10.434 9.081 237 HB3 PHE 38 HB3 PHE 38 39.649 -11.903 8.139 238 HD1 PHE 38 HD2 PHE 38 42.204 -12.677 7.870 239 HD2 PHE 38 HD1 PHE 38 40.695 -10.216 11.033 240 HE1 PHE 38 HE2 PHE 38 44.090 -13.348 9.301 241 HE2 PHE 38 HE1 PHE 38 42.584 -10.892 12.447 242 HZ PHE 38 HZ PHE 38 44.278 -12.453 11.591 243 H ALA 39 H ALA 39 39.573 -11.245 5.094 244 HA ALA 39 HA ALA 39 37.310 -9.480 4.644 245 HB1 ALA 39 HB1 ALA 39 36.758 -10.998 2.780 246 HB2 ALA 39 HB2 ALA 39 37.996 -12.133 3.325 247 HB3 ALA 39 HB3 ALA 39 38.462 -10.539 2.736 248 H SER 40 H SER 40 37.884 -12.708 5.950 249 HA SER 40 HA SER 40 35.133 -13.270 6.604 250 HB2 SER 40 HB2 SER 40 36.172 -15.215 7.866 251 HB3 SER 40 HB3 SER 40 36.636 -15.137 6.166 252 HG SER 40 HG SER 40 38.337 -13.739 7.796 253 H LYS 41 H LYS 41 34.054 -12.475 8.343 254 HA LYS 41 HA LYS 41 35.243 -10.736 10.256 255 HB2 LYS 41 HB2 LYS 41 32.825 -10.669 9.444 256 HB3 LYS 41 HB3 LYS 41 32.506 -12.063 10.473 257 HG2 LYS 41 HG2 LYS 41 33.317 -10.650 12.440 258 HG3 LYS 41 HG3 LYS 41 33.333 -9.272 11.337 259 HD2 LYS 41 HD2 LYS 41 31.245 -9.163 12.518 260 HD3 LYS 41 HD3 LYS 41 30.861 -9.729 10.890 261 HE2 LYS 41 HE2 LYS 41 29.608 -11.009 12.561 262 HE3 LYS 41 HE3 LYS 41 30.761 -12.063 11.738 263 HZ1 LYS 41 HZ1 LYS 41 31.149 -10.816 14.404 264 HZ2 LYS 41 HZ2 LYS 41 32.245 -11.848 13.641 265 HZ3 LYS 41 HZ3 LYS 41 30.729 -12.426 14.128 266 H GLY 42 H GLY 42 34.493 -14.178 10.273 267 HA2 GLY 42 HA2 GLY 42 34.623 -14.753 13.028 268 HA3 GLY 42 HA3 GLY 42 34.967 -15.886 11.732 269 H ALA 43 H ALA 43 37.165 -14.404 10.607 270 HA ALA 43 HA ALA 43 39.339 -15.268 12.278 271 HB1 ALA 43 HB1 ALA 43 39.385 -13.629 9.728 272 HB2 ALA 43 HB2 ALA 43 39.453 -15.390 9.827 273 HB3 ALA 43 HB3 ALA 43 40.772 -14.413 10.477 274 H GLN 44 H GLN 44 37.757 -12.174 11.604 275 HA GLN 44 HA GLN 44 39.564 -10.451 12.967 276 HB2 GLN 44 HB2 GLN 44 37.917 -9.486 11.495 277 HB3 GLN 44 HB3 GLN 44 36.592 -10.253 12.357 278 HG2 GLN 44 HG2 GLN 44 37.166 -8.776 14.348 279 HG3 GLN 44 HG3 GLN 44 38.293 -7.920 13.296 280 HE21 GLN 44 HE21 GLN 44 37.096 -5.990 13.586 281 HE22 GLN 44 HE22 GLN 44 35.576 -5.735 12.814 282 H GLU 45 H GLU 45 36.691 -12.274 14.005 283 HA GLU 45 HA GLU 45 36.349 -11.304 16.596 284 HB2 GLU 45 HB2 GLU 45 35.768 -14.123 15.595 285 HB3 GLU 45 HB3 GLU 45 35.138 -13.434 17.088 286 HG2 GLU 45 HG2 GLU 45 34.482 -12.609 14.261 287 HG3 GLU 45 HG3 GLU 45 33.418 -13.400 15.419 288 H ARG 46 H ARG 46 38.154 -14.174 15.474 289 HA ARG 46 HA ARG 46 38.955 -15.027 18.049 290 HB2 ARG 46 HB2 ARG 46 40.416 -16.615 16.932 291 HB3 ARG 46 HB3 ARG 46 38.842 -16.568 16.152 292 HG2 ARG 46 HG2 ARG 46 39.736 -15.279 14.304 293 HG3 ARG 46 HG3 ARG 46 41.304 -15.153 15.102 294 HD2 ARG 46 HD2 ARG 46 40.004 -17.725 14.130 295 HD3 ARG 46 HD3 ARG 46 41.340 -16.873 13.347 296 HE ARG 46 HE ARG 46 42.587 -17.274 15.513 297 HH11 ARG 46 HH11 ARG 46 40.140 -19.526 14.412 298 HH12 ARG 46 HH12 ARG 46 40.855 -20.882 15.221 299 HH21 ARG 46 HH21 ARG 46 43.497 -19.051 16.582 300 HH22 ARG 46 HH22 ARG 46 42.742 -20.611 16.452 301 H HIS 47 H HIS 47 40.445 -12.730 15.822 302 HA HIS 47 HA HIS 47 42.981 -12.661 17.164 303 HB2 HIS 47 HB2 HIS 47 41.950 -11.425 14.818 304 HB3 HIS 47 HB3 HIS 47 42.356 -10.086 15.878 305 HD2 HIS 47 HD2 HIS 47 44.037 -12.940 13.871 306 HE1 HIS 47 HE1 HIS 47 47.131 -10.597 15.517 307 HE2 HIS 47 HE2 HIS 47 46.580 -12.598 14.095 308 H LEU 48 H LEU 48 39.884 -11.173 17.725 309 HA LEU 48 HA LEU 48 40.901 -9.314 19.729 310 HB2 LEU 48 HB2 LEU 48 38.101 -9.970 18.764 311 HB3 LEU 48 HB3 LEU 48 38.435 -8.789 20.025 312 HG LEU 48 HG LEU 48 39.483 -8.600 17.168 313 HD11 LEU 48 HD11 LEU 48 37.055 -8.268 17.179 314 HD12 LEU 48 HD12 LEU 48 37.894 -6.751 16.857 315 HD13 LEU 48 HD13 LEU 48 37.213 -7.052 18.455 316 HD21 LEU 48 HD21 LEU 48 39.638 -6.587 19.447 317 HD22 LEU 48 HD22 LEU 48 40.203 -6.331 17.801 318 HD23 LEU 48 HD23 LEU 48 40.987 -7.534 18.814 319 H ARG 49 H ARG 49 38.391 -11.908 19.892 320 HA ARG 49 HA ARG 49 38.122 -11.874 22.666 321 HB2 ARG 49 HB2 ARG 49 36.882 -14.006 22.448 322 HB3 ARG 49 HB3 ARG 49 36.393 -12.837 21.226 323 HG2 ARG 49 HG2 ARG 49 37.615 -14.000 19.509 324 HG3 ARG 49 HG3 ARG 49 38.376 -15.066 20.690 325 HD2 ARG 49 HD2 ARG 49 35.410 -14.983 20.057 326 HD3 ARG 49 HD3 ARG 49 36.553 -16.195 19.461 327 HE ARG 49 HE ARG 49 36.805 -16.177 22.216 328 HH11 ARG 49 HH11 ARG 49 34.234 -16.923 19.945 329 HH12 ARG 49 HH12 ARG 49 33.481 -18.066 21.012 330 HH21 ARG 49 HH21 ARG 49 35.826 -17.649 23.577 331 HH22 ARG 49 HH22 ARG 49 34.380 -18.480 23.076 332 H LEU 50 H LEU 50 40.436 -13.670 20.717 333 HA LEU 50 HA LEU 50 41.340 -15.268 23.019 334 HB2 LEU 50 HB2 LEU 50 42.288 -15.332 20.133 335 HB3 LEU 50 HB3 LEU 50 42.727 -16.472 21.391 336 HG LEU 50 HG LEU 50 39.926 -16.132 20.247 337 HD11 LEU 50 HD11 LEU 50 41.949 -18.342 19.756 338 HD12 LEU 50 HD12 LEU 50 41.454 -17.111 18.595 339 HD13 LEU 50 HD13 LEU 50 40.289 -18.312 19.152 340 HD21 LEU 50 HD21 LEU 50 40.961 -18.199 22.227 341 HD22 LEU 50 HD22 LEU 50 39.349 -18.175 21.508 342 HD23 LEU 50 HD23 LEU 50 39.847 -16.877 22.590 343 H LEU 51 H LEU 51 42.847 -13.186 20.505 344 HA LEU 51 HA LEU 51 45.364 -13.181 21.965 345 HB2 LEU 51 HB2 LEU 51 44.681 -11.878 19.304 346 HB3 LEU 51 HB3 LEU 51 46.295 -12.122 19.957 347 HG LEU 51 HG LEU 51 44.387 -14.324 19.077 348 HD11 LEU 51 HD11 LEU 51 45.979 -14.728 17.250 349 HD12 LEU 51 HD12 LEU 51 46.940 -13.343 17.772 350 HD13 LEU 51 HD13 LEU 51 45.298 -13.103 17.168 351 HD21 LEU 51 HD21 LEU 51 47.225 -14.571 20.152 352 HD22 LEU 51 HD22 LEU 51 46.274 -15.885 19.459 353 HD23 LEU 51 HD23 LEU 51 45.748 -15.120 20.955 354 H HIS 52 H HIS 52 42.994 -10.756 20.861 355 HA HIS 52 HA HIS 52 44.457 -8.627 22.313 356 HB2 HIS 52 HB2 HIS 52 43.237 -8.617 19.521 357 HB3 HIS 52 HB3 HIS 52 43.417 -7.102 20.409 358 HD2 HIS 52 HD2 HIS 52 46.187 -7.070 21.607 359 HE1 HIS 52 HE1 HIS 52 47.780 -8.795 18.124 360 HE2 HIS 52 HE2 HIS 52 48.316 -7.729 20.334 361 H ALA 53 H ALA 53 42.890 -9.842 23.835 362 HA ALA 53 HA ALA 53 40.144 -8.870 23.869 363 HB1 ALA 53 HB1 ALA 53 40.611 -11.218 24.408 364 HB2 ALA 53 HB2 ALA 53 39.879 -10.398 25.786 365 HB3 ALA 53 HB3 ALA 53 41.614 -10.724 25.774 366 H ALA 54 H ALA 54 42.872 -7.379 24.610 367 HA ALA 54 HA ALA 54 42.499 -6.419 27.271 368 HB1 ALA 54 HB1 ALA 54 44.374 -4.922 26.736 369 HB2 ALA 54 HB2 ALA 54 44.239 -5.344 25.027 370 HB3 ALA 54 HB3 ALA 54 44.712 -6.569 26.205 371 H GLN 55 H GLN 55 41.469 -5.278 24.087 372 HA GLN 55 HA GLN 55 40.442 -2.761 25.260 373 HB2 GLN 55 HB2 GLN 55 40.977 -3.422 22.342 374 HB3 GLN 55 HB3 GLN 55 40.306 -1.904 22.922 375 HG2 GLN 55 HG2 GLN 55 43.030 -2.894 23.791 376 HG3 GLN 55 HG3 GLN 55 42.800 -1.949 22.328 377 HE21 GLN 55 HE21 GLN 55 41.187 -1.403 25.504 378 HE22 GLN 55 HE22 GLN 55 41.897 0.146 25.759 379 H VAL 56 H VAL 56 39.428 -5.711 23.585 380 HA VAL 56 HA VAL 56 36.651 -4.813 23.492 381 HB VAL 56 HB VAL 56 36.061 -7.042 22.643 382 HG11 VAL 56 HG11 VAL 56 36.776 -5.413 20.989 383 HG12 VAL 56 HG12 VAL 56 37.326 -7.012 20.500 384 HG13 VAL 56 HG13 VAL 56 38.465 -5.868 21.210 385 HG21 VAL 56 HG21 VAL 56 37.655 -8.439 23.915 386 HG22 VAL 56 HG22 VAL 56 38.988 -7.810 22.948 387 HG23 VAL 56 HG23 VAL 56 37.739 -8.797 22.188 388 H PHE 57 H PHE 57 35.067 -5.479 24.909 389 HA PHE 57 HA PHE 57 35.928 -6.742 27.451 390 HB2 PHE 57 HB2 PHE 57 33.777 -4.629 26.966 391 HB3 PHE 57 HB3 PHE 57 34.159 -5.352 28.526 392 HD1 PHE 57 HD1 PHE 57 36.344 -4.858 29.639 393 HD2 PHE 57 HD2 PHE 57 35.170 -2.859 26.040 394 HE1 PHE 57 HE1 PHE 57 38.071 -3.143 30.020 395 HE2 PHE 57 HE2 PHE 57 36.892 -1.147 26.437 396 HZ PHE 57 HZ PHE 57 38.347 -1.289 28.422 397 HA PRO 58 HA PRO 58 32.678 -9.593 25.739 398 HB2 PRO 58 HB2 PRO 58 33.895 -11.950 26.254 399 HB3 PRO 58 HB3 PRO 58 34.373 -10.945 24.877 400 HG2 PRO 58 HG2 PRO 58 35.697 -11.233 27.565 401 HG3 PRO 58 HG3 PRO 58 36.435 -11.157 25.949 402 HD2 PRO 58 HD2 PRO 58 36.245 -8.989 27.677 403 HD3 PRO 58 HD3 PRO 58 36.398 -8.846 25.912 404 H CYS 59 H CYS 59 30.936 -10.006 26.948 405 HA CYS 59 HA CYS 59 30.771 -10.045 29.757 406 HB2 CYS 59 HB2 CYS 59 28.834 -9.572 28.312 407 HB3 CYS 59 HB3 CYS 59 28.856 -11.218 27.686 408 H LYS 60 H LYS 60 31.709 -11.539 31.050 409 HA LYS 60 HA LYS 60 33.309 -13.509 29.818 410 HB2 LYS 60 HB2 LYS 60 32.882 -12.969 32.786 411 HB3 LYS 60 HB3 LYS 60 34.235 -13.862 32.089 412 HG2 LYS 60 HG2 LYS 60 35.039 -11.861 30.945 413 HG3 LYS 60 HG3 LYS 60 33.620 -10.952 31.467 414 HD2 LYS 60 HD2 LYS 60 34.366 -11.220 33.836 415 HD3 LYS 60 HD3 LYS 60 35.825 -12.033 33.261 416 HE2 LYS 60 HE2 LYS 60 36.503 -10.000 32.052 417 HE3 LYS 60 HE3 LYS 60 35.015 -9.189 32.548 418 HZ1 LYS 60 HZ1 LYS 60 35.717 -9.363 34.830 419 HZ2 LYS 60 HZ2 LYS 60 36.891 -8.555 33.926 420 HZ3 LYS 60 HZ3 LYS 60 37.127 -10.166 34.376 421 H TYR 61 H TYR 61 30.172 -13.857 31.145 422 HA TYR 61 HA TYR 61 30.495 -16.674 31.907 423 HB2 TYR 61 HB2 TYR 61 28.026 -14.900 32.106 424 HB3 TYR 61 HB3 TYR 61 28.244 -16.476 32.867 425 HD1 TYR 61 HD1 TYR 61 30.068 -16.716 34.662 426 HD2 TYR 61 HD2 TYR 61 28.806 -12.913 33.186 427 HE1 TYR 61 HE1 TYR 61 31.085 -15.621 36.606 428 HE2 TYR 61 HE2 TYR 61 29.823 -11.824 35.142 429 HH TYR 61 HH TYR 61 30.425 -12.469 37.496 430 H CYS 62 H CYS 62 29.322 -14.819 29.218 431 HA CYS 62 HA CYS 62 28.325 -17.266 27.885 432 HB2 CYS 62 HB2 CYS 62 26.346 -16.184 27.082 433 HB3 CYS 62 HB3 CYS 62 26.407 -15.796 28.800 434 HA PRO 63 HA PRO 63 30.874 -15.622 24.470 435 HB2 PRO 63 HB2 PRO 63 29.544 -16.721 22.290 436 HB3 PRO 63 HB3 PRO 63 30.710 -17.599 23.289 437 HG2 PRO 63 HG2 PRO 63 27.698 -17.604 23.442 438 HG3 PRO 63 HG3 PRO 63 28.822 -18.978 23.541 439 HD2 PRO 63 HD2 PRO 63 27.708 -17.918 25.758 440 HD3 PRO 63 HD3 PRO 63 29.384 -18.504 25.781 441 H ALA 64 H ALA 64 30.373 -13.451 24.781 442 HA ALA 64 HA ALA 64 28.760 -12.127 22.774 443 HB1 ALA 64 HB1 ALA 64 27.052 -12.549 24.520 444 HB2 ALA 64 HB2 ALA 64 27.383 -10.823 24.375 445 HB3 ALA 64 HB3 ALA 64 28.061 -11.744 25.720 446 H THR 65 H THR 65 30.585 -11.103 22.051 447 HA THR 65 HA THR 65 32.445 -9.823 23.917 448 HB THR 65 HB THR 65 32.677 -10.083 20.882 449 HG1 THR 65 HG1 THR 65 33.379 -12.047 21.223 450 HG21 THR 65 HG21 THR 65 34.157 -8.333 21.840 451 HG22 THR 65 HG22 THR 65 35.107 -9.720 21.307 452 HG23 THR 65 HG23 THR 65 34.770 -9.491 23.023 453 H PHE 66 H PHE 66 32.250 -7.722 24.408 454 HA PHE 66 HA PHE 66 30.885 -5.823 22.575 455 HB2 PHE 66 HB2 PHE 66 31.438 -5.553 25.577 456 HB3 PHE 66 HB3 PHE 66 30.558 -4.389 24.580 457 HD1 PHE 66 HD1 PHE 66 28.334 -5.019 23.595 458 HD2 PHE 66 HD2 PHE 66 30.341 -7.547 26.408 459 HE1 PHE 66 HE1 PHE 66 26.240 -6.253 23.991 460 HE2 PHE 66 HE2 PHE 66 28.238 -8.757 26.799 461 HZ PHE 66 HZ PHE 66 26.193 -8.115 25.591 462 H TYR 67 H TYR 67 31.837 -3.548 22.664 463 HA TYR 67 HA TYR 67 34.792 -3.553 22.982 464 HB2 TYR 67 HB2 TYR 67 33.913 -3.484 20.556 465 HB3 TYR 67 HB3 TYR 67 33.252 -1.893 20.925 466 HD1 TYR 67 HD1 TYR 67 36.507 -3.721 21.328 467 HD2 TYR 67 HD2 TYR 67 34.623 -0.050 20.231 468 HE1 TYR 67 HE1 TYR 67 38.701 -2.756 20.822 469 HE2 TYR 67 HE2 TYR 67 36.834 0.920 19.718 470 HH TYR 67 HH TYR 67 39.221 0.529 20.369 471 H SER 68 H SER 68 32.368 -2.762 24.694 472 HA SER 68 HA SER 68 33.388 -0.119 25.529 473 HB2 SER 68 HB2 SER 68 30.424 -0.846 25.324 474 HB3 SER 68 HB3 SER 68 31.074 0.660 25.973 475 HG SER 68 HG SER 68 32.181 0.597 23.702 476 H SER 69 H SER 69 33.625 0.128 27.693 477 HA SER 69 HA SER 69 33.577 -2.059 29.473 478 HB2 SER 69 HB2 SER 69 33.659 0.899 30.212 479 HB3 SER 69 HB3 SER 69 34.263 -0.457 31.170 480 HG SER 69 HG SER 69 35.952 -0.645 29.873 481 HA PRO 70 HA PRO 70 29.257 -0.258 31.135 482 HB2 PRO 70 HB2 PRO 70 27.809 1.246 29.307 483 HB3 PRO 70 HB3 PRO 70 28.792 1.953 30.599 484 HG2 PRO 70 HG2 PRO 70 29.505 1.514 27.700 485 HG3 PRO 70 HG3 PRO 70 29.771 2.953 28.712 486 HD2 PRO 70 HD2 PRO 70 31.775 1.223 28.227 487 HD3 PRO 70 HD3 PRO 70 31.599 1.986 29.818 488 H GLY 71 H GLY 71 29.773 -0.857 27.642 489 HA2 GLY 71 HA2 GLY 71 27.424 -2.260 26.994 490 HA3 GLY 71 HA3 GLY 71 28.961 -2.426 26.170 491 H LEU 72 H LEU 72 30.476 -3.410 28.286 492 HA LEU 72 HA LEU 72 30.135 -6.180 28.398 493 HB2 LEU 72 HB2 LEU 72 32.246 -5.122 28.901 494 HB3 LEU 72 HB3 LEU 72 31.539 -4.169 30.189 495 HG LEU 72 HG LEU 72 31.331 -6.198 31.602 496 HD11 LEU 72 HD11 LEU 72 31.046 -7.905 29.862 497 HD12 LEU 72 HD12 LEU 72 32.353 -8.321 30.967 498 HD13 LEU 72 HD13 LEU 72 32.730 -7.688 29.363 499 HD21 LEU 72 HD21 LEU 72 33.354 -4.828 31.770 500 HD22 LEU 72 HD22 LEU 72 34.125 -5.775 30.494 501 HD23 LEU 72 HD23 LEU 72 33.728 -6.526 32.044 502 H THR 73 H THR 73 29.235 -3.681 30.731 503 HA THR 73 HA THR 73 28.026 -5.439 32.651 504 HB THR 73 HB THR 73 27.762 -2.406 32.453 505 HG1 THR 73 HG1 THR 73 29.892 -2.567 32.597 506 HG21 THR 73 HG21 THR 73 27.532 -2.492 34.911 507 HG22 THR 73 HG22 THR 73 27.666 -4.252 34.880 508 HG23 THR 73 HG23 THR 73 26.271 -3.452 34.149 509 H ARG 74 H ARG 74 26.888 -3.703 29.818 510 HA ARG 74 HA ARG 74 24.162 -3.393 30.441 511 HB2 ARG 74 HB2 ARG 74 25.580 -3.569 27.762 512 HB3 ARG 74 HB3 ARG 74 23.833 -3.383 27.860 513 HG2 ARG 74 HG2 ARG 74 24.211 -1.267 29.183 514 HG3 ARG 74 HG3 ARG 74 25.935 -1.435 28.855 515 HD2 ARG 74 HD2 ARG 74 25.497 -1.308 26.435 516 HD3 ARG 74 HD3 ARG 74 23.763 -1.164 26.741 517 HE ARG 74 HE ARG 74 25.775 0.893 26.969 518 HH11 ARG 74 HH11 ARG 74 22.566 -0.041 28.092 519 HH12 ARG 74 HH12 ARG 74 22.091 1.589 28.441 520 HH21 ARG 74 HH21 ARG 74 25.103 3.035 27.426 521 HH22 ARG 74 HH22 ARG 74 23.517 3.322 28.069 522 H HIS 75 H HIS 75 25.925 -6.191 29.141 523 HA HIS 75 HA HIS 75 23.595 -7.732 28.559 524 HB2 HIS 75 HB2 HIS 75 26.251 -8.210 28.056 525 HB3 HIS 75 HB3 HIS 75 26.029 -9.274 29.441 526 HD2 HIS 75 HD2 HIS 75 24.304 -8.657 25.961 527 HE1 HIS 75 HE1 HIS 75 23.603 -12.662 27.044 528 HE2 HIS 75 HE2 HIS 75 23.042 -10.833 25.411 529 H ILE 76 H ILE 76 25.762 -7.558 31.337 530 HA ILE 76 HA ILE 76 24.661 -9.475 33.028 531 HB ILE 76 HB ILE 76 26.075 -6.879 33.762 532 HG12 ILE 76 HG12 ILE 76 27.235 -9.653 33.182 533 HG13 ILE 76 HG13 ILE 76 27.382 -8.230 32.164 534 HG21 ILE 76 HG21 ILE 76 25.767 -9.391 35.445 535 HG22 ILE 76 HG22 ILE 76 25.008 -7.831 35.758 536 HG23 ILE 76 HG23 ILE 76 26.760 -7.994 35.867 537 HD11 ILE 76 HD11 ILE 76 29.424 -8.653 33.367 538 HD12 ILE 76 HD12 ILE 76 28.575 -8.566 34.910 539 HD13 ILE 76 HD13 ILE 76 28.713 -7.128 33.893 540 H ASN 77 H ASN 77 23.693 -6.134 32.493 541 HA ASN 77 HA ASN 77 21.820 -6.016 34.701 542 HB2 ASN 77 HB2 ASN 77 22.201 -4.094 32.354 543 HB3 ASN 77 HB3 ASN 77 21.268 -3.771 33.812 544 HD21 ASN 77 HD21 ASN 77 23.248 -4.936 35.649 545 HD22 ASN 77 HD22 ASN 77 24.572 -3.833 35.686 546 H LYS 78 H LYS 78 21.575 -6.024 31.122 547 HA LYS 78 HA LYS 78 18.656 -6.079 31.269 548 HB2 LYS 78 HB2 LYS 78 19.645 -4.388 29.842 549 HB3 LYS 78 HB3 LYS 78 20.617 -5.586 29.006 550 HG2 LYS 78 HG2 LYS 78 18.816 -4.883 27.555 551 HG3 LYS 78 HG3 LYS 78 18.556 -6.565 28.025 552 HD2 LYS 78 HD2 LYS 78 16.904 -5.800 29.737 553 HD3 LYS 78 HD3 LYS 78 17.146 -4.137 29.191 554 HE2 LYS 78 HE2 LYS 78 16.328 -4.786 26.928 555 HE3 LYS 78 HE3 LYS 78 16.041 -6.425 27.520 556 HZ1 LYS 78 HZ1 LYS 78 14.515 -5.457 29.168 557 HZ2 LYS 78 HZ2 LYS 78 14.010 -5.221 27.573 558 HZ3 LYS 78 HZ3 LYS 78 14.708 -3.944 28.436 559 H CYS 79 H CYS 79 21.167 -7.895 29.443 560 HA CYS 79 HA CYS 79 19.121 -9.872 28.625 561 HB2 CYS 79 HB2 CYS 79 20.269 -8.571 26.842 562 HB3 CYS 79 HB3 CYS 79 21.815 -9.223 27.365 563 HG CYS 79 HG CYS 79 20.015 -11.824 26.838 564 H HIS 80 H HIS 80 21.138 -9.703 31.071 565 HA HIS 80 HA HIS 80 21.438 -12.579 31.366 566 HB2 HIS 80 HB2 HIS 80 23.622 -11.431 30.198 567 HB3 HIS 80 HB3 HIS 80 23.997 -11.003 31.854 568 HD2 HIS 80 HD2 HIS 80 22.953 -14.093 32.970 569 HE1 HIS 80 HE1 HIS 80 26.430 -15.156 30.817 570 HE2 HIS 80 HE2 HIS 80 24.847 -15.824 32.675 571 HA PRO 81 HA PRO 81 20.943 -9.633 35.162 572 HB2 PRO 81 HB2 PRO 81 18.308 -9.778 35.768 573 HB3 PRO 81 HB3 PRO 81 18.884 -8.727 34.466 574 HG2 PRO 81 HG2 PRO 81 17.669 -11.486 34.277 575 HG3 PRO 81 HG3 PRO 81 17.292 -10.036 33.318 576 HD2 PRO 81 HD2 PRO 81 18.979 -12.031 32.446 577 HD3 PRO 81 HD3 PRO 81 19.125 -10.341 31.915 578 H SER 82 H SER 82 20.119 -12.911 34.515 579 HA SER 82 HA SER 82 19.517 -13.601 37.299 580 HB2 SER 82 HB2 SER 82 19.238 -15.255 34.764 581 HB3 SER 82 HB3 SER 82 18.622 -15.683 36.357 582 HG SER 82 HG SER 82 17.529 -13.459 36.058 583 H GLU 83 H GLU 83 22.354 -13.118 36.055 584 HA GLU 83 HA GLU 83 23.657 -15.667 36.619 585 HB2 GLU 83 HB2 GLU 83 25.789 -14.369 36.218 586 HB3 GLU 83 HB3 GLU 83 24.689 -14.420 34.850 587 HG2 GLU 83 HG2 GLU 83 24.001 -12.142 35.216 588 HG3 GLU 83 HG3 GLU 83 24.866 -12.064 36.745 589 H ASN 84 H ASN 84 22.386 -15.399 38.765 590 HA ASN 84 HA ASN 84 23.789 -13.931 40.881 591 HB2 ASN 84 HB2 ASN 84 21.334 -15.751 41.000 592 HB3 ASN 84 HB3 ASN 84 21.950 -14.779 42.336 593 HD21 ASN 84 HD21 ASN 84 21.497 -12.569 42.360 594 HD22 ASN 84 HD22 ASN 84 20.406 -11.822 41.249 595 H ARG 85 H ARG 85 24.497 -15.155 42.859 596 HA ARG 85 HA ARG 85 25.203 -17.958 42.550 597 HB2 ARG 85 HB2 ARG 85 26.840 -16.673 41.090 598 HB3 ARG 85 HB3 ARG 85 27.442 -15.880 42.537 599 HG2 ARG 85 HG2 ARG 85 28.211 -18.058 43.413 600 HG3 ARG 85 HG3 ARG 85 27.565 -18.865 41.977 601 HD2 ARG 85 HD2 ARG 85 29.845 -16.848 42.081 602 HD3 ARG 85 HD3 ARG 85 29.947 -18.559 41.653 603 HE ARG 85 HE ARG 85 28.731 -18.070 39.613 604 HH11 ARG 85 HH11 ARG 85 30.080 -15.254 41.221 605 HH12 ARG 85 HH12 ARG 85 29.925 -14.247 39.821 606 HH21 ARG 85 HH21 ARG 85 28.519 -16.719 37.801 607 HH22 ARG 85 HH22 ARG 85 29.036 -15.063 37.905 Start of MODEL 3 1 H1 MET 1 H1 MET 1 78.683 -6.593 -55.449 2 H2 MET 1 H2 MET 1 78.778 -8.276 -55.526 3 H3 MET 1 H3 MET 1 79.750 -7.330 -56.534 4 HA MET 1 HA MET 1 80.979 -8.279 -54.665 5 HB2 MET 1 HB2 MET 1 82.127 -6.205 -54.012 6 HB3 MET 1 HB3 MET 1 81.732 -6.165 -55.723 7 HG2 MET 1 HG2 MET 1 80.271 -4.692 -53.520 8 HG3 MET 1 HG3 MET 1 81.363 -3.982 -54.711 9 HE1 MET 1 HE1 MET 1 79.338 -2.170 -55.217 10 HE2 MET 1 HE2 MET 1 78.320 -3.013 -54.049 11 HE3 MET 1 HE3 MET 1 77.713 -2.679 -55.670 12 H GLY 2 H GLY 2 81.273 -8.437 -52.414 13 HA2 GLY 2 HA2 GLY 2 80.343 -7.336 -50.226 14 HA3 GLY 2 HA3 GLY 2 78.842 -8.076 -50.782 15 H HIS 3 H HIS 3 79.082 -9.061 -48.658 16 HA HIS 3 HA HIS 3 79.488 -10.575 -47.138 17 HB2 HIS 3 HB2 HIS 3 79.523 -12.963 -47.722 18 HB3 HIS 3 HB3 HIS 3 78.331 -12.078 -48.656 19 HD1 HIS 3 HD1 HIS 3 78.639 -12.046 -51.208 20 HD2 HIS 3 HD2 HIS 3 81.633 -14.131 -49.239 21 HE1 HIS 3 HE1 HIS 3 79.797 -13.378 -52.971 22 HE2 HIS 3 HE2 HIS 3 81.694 -14.512 -51.782 23 H HIS 4 H HIS 4 82.166 -11.287 -49.485 24 HA HIS 4 HA HIS 4 84.376 -11.588 -49.263 25 HB2 HIS 4 HB2 HIS 4 84.043 -10.105 -46.614 26 HB3 HIS 4 HB3 HIS 4 85.601 -10.491 -47.336 27 HD1 HIS 4 HD1 HIS 4 86.585 -8.533 -48.505 28 HD2 HIS 4 HD2 HIS 4 82.433 -8.435 -48.642 29 HE1 HIS 4 HE1 HIS 4 85.989 -6.417 -49.711 30 HE2 HIS 4 HE2 HIS 4 83.487 -6.308 -49.636 31 H HIS 5 H HIS 5 85.816 -12.271 -46.685 32 HA HIS 5 HA HIS 5 84.497 -14.801 -45.967 33 HB2 HIS 5 HB2 HIS 5 86.557 -16.112 -46.383 34 HB3 HIS 5 HB3 HIS 5 85.910 -15.407 -47.860 35 HD1 HIS 5 HD1 HIS 5 88.995 -15.937 -46.181 36 HD2 HIS 5 HD2 HIS 5 87.460 -12.861 -48.507 37 HE1 HIS 5 HE1 HIS 5 90.982 -14.625 -46.952 38 HE2 HIS 5 HE2 HIS 5 90.040 -12.818 -48.429 39 H HIS 6 H HIS 6 84.110 -13.968 -43.946 40 HA HIS 6 HA HIS 6 86.100 -14.527 -41.987 41 HB2 HIS 6 HB2 HIS 6 86.791 -12.174 -42.615 42 HB3 HIS 6 HB3 HIS 6 85.209 -11.601 -42.100 43 HD1 HIS 6 HD1 HIS 6 84.852 -11.294 -39.582 44 HD2 HIS 6 HD2 HIS 6 88.505 -13.053 -40.481 45 HE1 HIS 6 HE1 HIS 6 86.106 -11.382 -37.413 46 HE2 HIS 6 HE2 HIS 6 88.309 -12.458 -37.981 47 H HIS 7 H HIS 7 85.155 -15.080 -40.080 48 HA HIS 7 HA HIS 7 82.450 -14.138 -39.384 49 HB2 HIS 7 HB2 HIS 7 83.354 -17.050 -39.463 50 HB3 HIS 7 HB3 HIS 7 82.034 -16.533 -38.423 51 HD1 HIS 7 HD1 HIS 7 79.776 -16.098 -39.501 52 HD2 HIS 7 HD2 HIS 7 82.744 -16.969 -42.274 53 HE1 HIS 7 HE1 HIS 7 78.578 -16.513 -41.658 54 HE2 HIS 7 HE2 HIS 7 80.374 -17.231 -43.264 55 H HIS 8 H HIS 8 82.002 -14.325 -37.106 56 HA HIS 8 HA HIS 8 83.961 -15.239 -35.231 57 HB2 HIS 8 HB2 HIS 8 84.280 -13.102 -34.004 58 HB3 HIS 8 HB3 HIS 8 84.911 -12.987 -35.637 59 HD1 HIS 8 HD1 HIS 8 83.493 -11.542 -37.348 60 HD2 HIS 8 HD2 HIS 8 82.316 -11.207 -33.389 61 HE1 HIS 8 HE1 HIS 8 82.094 -9.471 -37.232 62 HE2 HIS 8 HE2 HIS 8 81.298 -9.357 -34.857 63 H SER 9 H SER 9 82.984 -15.755 -33.263 64 HA SER 9 HA SER 9 80.283 -14.902 -32.617 65 HB2 SER 9 HB2 SER 9 79.920 -16.693 -34.325 66 HB3 SER 9 HB3 SER 9 80.833 -17.822 -33.325 67 HG SER 9 HG SER 9 78.252 -16.959 -33.100 68 H HIS 10 H HIS 10 80.738 -14.367 -30.539 69 HA HIS 10 HA HIS 10 81.499 -16.517 -28.668 70 HB2 HIS 10 HB2 HIS 10 82.641 -13.694 -28.409 71 HB3 HIS 10 HB3 HIS 10 83.015 -15.086 -27.402 72 HD1 HIS 10 HD1 HIS 10 84.042 -13.325 -30.470 73 HD2 HIS 10 HD2 HIS 10 84.751 -17.021 -28.714 74 HE1 HIS 10 HE1 HIS 10 86.053 -14.245 -31.639 75 HE2 HIS 10 HE2 HIS 10 86.387 -16.539 -30.654 76 H MET 11 H MET 11 80.013 -16.560 -27.004 77 HA MET 11 HA MET 11 78.814 -14.087 -26.006 78 HB2 MET 11 HB2 MET 11 77.238 -14.849 -27.792 79 HB3 MET 11 HB3 MET 11 77.048 -16.390 -26.966 80 HG2 MET 11 HG2 MET 11 76.010 -15.247 -25.047 81 HG3 MET 11 HG3 MET 11 76.267 -13.684 -25.829 82 HE1 MET 11 HE1 MET 11 73.715 -13.019 -25.582 83 HE2 MET 11 HE2 MET 11 73.396 -14.539 -24.744 84 HE3 MET 11 HE3 MET 11 72.377 -14.047 -26.097 85 H GLY 12 H GLY 12 80.052 -14.488 -24.162 86 HA2 GLY 12 HA2 GLY 12 79.297 -16.755 -22.417 87 HA3 GLY 12 HA3 GLY 12 80.603 -15.606 -22.145 88 H ASP 13 H ASP 13 77.220 -16.219 -21.736 89 HA ASP 13 HA ASP 13 76.827 -13.859 -20.055 90 HB2 ASP 13 HB2 ASP 13 76.332 -12.929 -22.253 91 HB3 ASP 13 HB3 ASP 13 75.319 -14.306 -22.672 92 H GLY 14 H GLY 14 75.004 -14.004 -18.673 93 HA2 GLY 14 HA2 GLY 14 72.850 -15.737 -18.795 94 HA3 GLY 14 HA3 GLY 14 74.114 -16.635 -17.960 95 H GLU 15 H GLU 15 72.270 -13.613 -17.885 96 HA GLU 15 HA GLU 15 72.431 -13.533 -14.925 97 HB2 GLU 15 HB2 GLU 15 72.577 -11.179 -16.868 98 HB3 GLU 15 HB3 GLU 15 72.312 -10.996 -15.136 99 HG2 GLU 15 HG2 GLU 15 74.505 -12.025 -14.675 100 HG3 GLU 15 HG3 GLU 15 74.771 -12.241 -16.405 101 H GLY 16 H GLY 16 70.595 -12.605 -13.854 102 HA2 GLY 16 HA2 GLY 16 68.248 -11.664 -15.124 103 HA3 GLY 16 HA3 GLY 16 68.067 -13.385 -14.796 104 H ALA 17 H ALA 17 66.646 -11.050 -13.679 105 HA ALA 17 HA ALA 17 67.009 -11.648 -10.797 106 HB1 ALA 17 HB1 ALA 17 67.980 -9.420 -11.231 107 HB2 ALA 17 HB2 ALA 17 66.525 -9.289 -10.245 108 HB3 ALA 17 HB3 ALA 17 66.466 -8.883 -11.963 109 H GLY 18 H GLY 18 65.153 -12.426 -9.949 110 HA2 GLY 18 HA2 GLY 18 62.584 -11.479 -10.133 111 HA3 GLY 18 HA3 GLY 18 62.733 -12.595 -11.489 112 H VAL 19 H VAL 19 63.673 -12.497 -8.051 113 HA VAL 19 HA VAL 19 62.899 -15.327 -7.713 114 HB VAL 19 HB VAL 19 64.028 -15.150 -5.465 115 HG11 VAL 19 HG11 VAL 19 66.339 -15.120 -6.335 116 HG12 VAL 19 HG12 VAL 19 65.778 -14.372 -7.833 117 HG13 VAL 19 HG13 VAL 19 65.261 -16.006 -7.413 118 HG21 VAL 19 HG21 VAL 19 65.461 -13.191 -4.946 119 HG22 VAL 19 HG22 VAL 19 63.765 -12.726 -5.051 120 HG23 VAL 19 HG23 VAL 19 64.858 -12.359 -6.384 121 H LEU 20 H LEU 20 61.866 -12.104 -6.832 122 HA LEU 20 HA LEU 20 59.698 -13.188 -5.111 123 HB2 LEU 20 HB2 LEU 20 61.286 -10.610 -4.739 124 HB3 LEU 20 HB3 LEU 20 59.855 -11.024 -3.807 125 HG LEU 20 HG LEU 20 62.463 -12.606 -3.780 126 HD11 LEU 20 HD11 LEU 20 62.745 -10.423 -2.699 127 HD12 LEU 20 HD12 LEU 20 62.802 -11.730 -1.519 128 HD13 LEU 20 HD13 LEU 20 61.348 -10.740 -1.666 129 HD21 LEU 20 HD21 LEU 20 61.487 -13.850 -1.899 130 HD22 LEU 20 HD22 LEU 20 60.508 -14.049 -3.348 131 HD23 LEU 20 HD23 LEU 20 59.972 -12.960 -2.066 132 H GLY 21 H GLY 21 57.719 -11.956 -5.098 133 HA2 GLY 21 HA2 GLY 21 57.251 -10.068 -7.327 134 HA3 GLY 21 HA3 GLY 21 56.345 -11.578 -7.310 135 H LEU 22 H LEU 22 55.387 -8.785 -7.066 136 HA LEU 22 HA LEU 22 54.609 -8.412 -4.289 137 HB2 LEU 22 HB2 LEU 22 53.920 -6.763 -6.766 138 HB3 LEU 22 HB3 LEU 22 53.463 -6.343 -5.127 139 HG LEU 22 HG LEU 22 55.313 -4.954 -5.607 140 HD11 LEU 22 HD11 LEU 22 55.477 -5.962 -3.384 141 HD12 LEU 22 HD12 LEU 22 57.067 -5.604 -4.043 142 HD13 LEU 22 HD13 LEU 22 56.481 -7.267 -4.025 143 HD21 LEU 22 HD21 LEU 22 56.849 -7.336 -6.692 144 HD22 LEU 22 HD22 LEU 22 57.465 -5.688 -6.545 145 HD23 LEU 22 HD23 LEU 22 56.128 -6.032 -7.639 146 H SER 23 H SER 23 52.677 -8.921 -3.416 147 HA SER 23 HA SER 23 50.826 -10.614 -4.838 148 HB2 SER 23 HB2 SER 23 49.639 -10.680 -2.625 149 HB3 SER 23 HB3 SER 23 51.358 -11.040 -2.488 150 HG SER 23 HG SER 23 50.687 -9.574 -0.877 151 H ALA 24 H ALA 24 51.060 -7.237 -4.352 152 HA ALA 24 HA ALA 24 49.927 -5.446 -5.076 153 HB1 ALA 24 HB1 ALA 24 47.926 -7.346 -6.340 154 HB2 ALA 24 HB2 ALA 24 49.389 -6.745 -7.117 155 HB3 ALA 24 HB3 ALA 24 48.095 -5.623 -6.693 156 H SER 25 H SER 25 47.216 -7.678 -4.349 157 HA SER 25 HA SER 25 45.496 -7.668 -2.899 158 HB2 SER 25 HB2 SER 25 47.208 -5.837 -1.156 159 HB3 SER 25 HB3 SER 25 45.843 -6.823 -0.619 160 HG SER 25 HG SER 25 48.413 -7.637 -1.465 161 H ALA 26 H ALA 26 44.008 -5.973 -1.522 162 HA ALA 26 HA ALA 26 43.809 -3.362 -2.854 163 HB1 ALA 26 HB1 ALA 26 42.376 -4.854 -4.206 164 HB2 ALA 26 HB2 ALA 26 41.415 -3.644 -3.356 165 HB3 ALA 26 HB3 ALA 26 41.470 -5.306 -2.764 166 H GLU 27 H GLU 27 41.754 -5.353 -0.693 167 HA GLU 27 HA GLU 27 42.310 -3.723 1.633 168 HB2 GLU 27 HB2 GLU 27 39.836 -3.122 1.983 169 HB3 GLU 27 HB3 GLU 27 40.664 -2.246 0.709 170 HG2 GLU 27 HG2 GLU 27 38.450 -2.781 -0.064 171 HG3 GLU 27 HG3 GLU 27 39.615 -3.713 -0.994 172 H CYS 28 H CYS 28 40.998 -4.510 3.539 173 HA CYS 28 HA CYS 28 39.709 -7.076 3.450 174 HB2 CYS 28 HB2 CYS 28 42.496 -6.872 4.634 175 HB3 CYS 28 HB3 CYS 28 41.370 -8.143 5.087 176 HG CYS 28 HG CYS 28 43.243 -7.832 2.328 177 H HIS 29 H HIS 29 38.980 -7.766 5.608 178 HA HIS 29 HA HIS 29 38.056 -5.644 7.300 179 HB2 HIS 29 HB2 HIS 29 38.025 -8.663 7.775 180 HB3 HIS 29 HB3 HIS 29 37.107 -7.473 8.693 181 HD1 HIS 29 HD1 HIS 29 36.634 -9.834 6.066 182 HD2 HIS 29 HD2 HIS 29 35.294 -5.945 6.727 183 HE1 HIS 29 HE1 HIS 29 34.579 -9.569 4.645 184 HE2 HIS 29 HE2 HIS 29 33.831 -7.200 5.005 185 H LEU 30 H LEU 30 39.008 -4.829 9.124 186 HA LEU 30 HA LEU 30 41.614 -5.974 9.965 187 HB2 LEU 30 HB2 LEU 30 40.635 -3.122 10.369 188 HB3 LEU 30 HB3 LEU 30 42.257 -3.736 10.651 189 HG LEU 30 HG LEU 30 40.912 -3.393 7.938 190 HD11 LEU 30 HD11 LEU 30 43.254 -1.881 9.141 191 HD12 LEU 30 HD12 LEU 30 41.615 -1.262 8.946 192 HD13 LEU 30 HD13 LEU 30 42.579 -1.647 7.525 193 HD21 LEU 30 HD21 LEU 30 43.724 -4.423 8.499 194 HD22 LEU 30 HD22 LEU 30 43.058 -4.054 6.907 195 HD23 LEU 30 HD23 LEU 30 42.379 -5.372 7.857 196 H CYS 31 H CYS 31 41.873 -6.641 12.015 197 HA CYS 31 HA CYS 31 39.925 -6.539 14.104 198 HB2 CYS 31 HB2 CYS 31 41.584 -8.280 14.182 199 HB3 CYS 31 HB3 CYS 31 42.903 -7.141 13.991 200 HA PRO 32 HA PRO 32 40.129 -1.969 14.703 201 HB2 PRO 32 HB2 PRO 32 39.348 -2.921 17.482 202 HB3 PRO 32 HB3 PRO 32 38.736 -1.533 16.565 203 HG2 PRO 32 HG2 PRO 32 37.355 -3.822 16.645 204 HG3 PRO 32 HG3 PRO 32 37.444 -2.874 15.144 205 HD2 PRO 32 HD2 PRO 32 38.750 -5.469 15.812 206 HD3 PRO 32 HD3 PRO 32 38.335 -4.798 14.227 207 H VAL 33 H VAL 33 41.681 -4.118 17.070 208 HA VAL 33 HA VAL 33 43.138 -1.999 18.407 209 HB VAL 33 HB VAL 33 43.531 -4.992 18.802 210 HG11 VAL 33 HG11 VAL 33 43.910 -2.651 20.711 211 HG12 VAL 33 HG12 VAL 33 45.188 -3.582 19.932 212 HG13 VAL 33 HG13 VAL 33 44.143 -4.358 21.119 213 HG21 VAL 33 HG21 VAL 33 41.751 -4.945 20.518 214 HG22 VAL 33 HG22 VAL 33 41.114 -4.556 18.921 215 HG23 VAL 33 HG23 VAL 33 41.381 -3.268 20.095 216 H CYS 34 H CYS 34 43.803 -4.235 15.805 217 HA CYS 34 HA CYS 34 46.448 -3.038 15.404 218 HB2 CYS 34 HB2 CYS 34 47.581 -5.160 15.054 219 HB3 CYS 34 HB3 CYS 34 46.834 -5.197 16.647 220 H GLY 35 H GLY 35 46.374 -2.233 13.352 221 HA2 GLY 35 HA2 GLY 35 44.564 -3.074 11.328 222 HA3 GLY 35 HA3 GLY 35 46.009 -2.089 11.079 223 H GLU 36 H GLU 36 44.592 -5.079 10.573 224 HA GLU 36 HA GLU 36 46.946 -6.281 9.380 225 HB2 GLU 36 HB2 GLU 36 47.203 -6.974 11.748 226 HB3 GLU 36 HB3 GLU 36 45.568 -7.618 11.766 227 HG2 GLU 36 HG2 GLU 36 46.151 -9.405 10.274 228 HG3 GLU 36 HG3 GLU 36 47.710 -8.668 9.890 229 H SER 37 H SER 37 46.315 -7.430 7.665 230 HA SER 37 HA SER 37 43.598 -6.998 6.830 231 HB2 SER 37 HB2 SER 37 45.940 -8.267 5.344 232 HB3 SER 37 HB3 SER 37 44.438 -7.670 4.628 233 HG SER 37 HG SER 37 46.186 -6.145 4.508 234 H PHE 38 H PHE 38 42.015 -8.414 7.315 235 HA PHE 38 HA PHE 38 42.486 -11.340 7.003 236 HB2 PHE 38 HB2 PHE 38 40.375 -10.002 8.764 237 HB3 PHE 38 HB3 PHE 38 40.683 -11.731 8.629 238 HD1 PHE 38 HD1 PHE 38 43.112 -12.526 9.303 239 HD2 PHE 38 HD2 PHE 38 41.393 -8.799 10.517 240 HE1 PHE 38 HE1 PHE 38 44.673 -12.416 11.199 241 HE2 PHE 38 HE2 PHE 38 42.952 -8.711 12.411 242 HZ PHE 38 HZ PHE 38 44.586 -10.512 12.755 243 H ALA 39 H ALA 39 41.400 -12.170 5.274 244 HA ALA 39 HA ALA 39 39.351 -10.673 3.868 245 HB1 ALA 39 HB1 ALA 39 40.966 -12.046 2.619 246 HB2 ALA 39 HB2 ALA 39 39.321 -12.610 2.329 247 HB3 ALA 39 HB3 ALA 39 40.377 -13.501 3.427 248 H SER 40 H SER 40 39.522 -13.614 5.863 249 HA SER 40 HA SER 40 36.684 -14.078 5.938 250 HB2 SER 40 HB2 SER 40 38.926 -15.230 7.649 251 HB3 SER 40 HB3 SER 40 37.265 -15.831 7.605 252 HG SER 40 HG SER 40 37.871 -16.987 5.982 253 H LYS 41 H LYS 41 35.233 -13.245 7.343 254 HA LYS 41 HA LYS 41 35.755 -11.269 9.270 255 HB2 LYS 41 HB2 LYS 41 33.562 -11.433 8.268 256 HB3 LYS 41 HB3 LYS 41 33.367 -13.092 8.816 257 HG2 LYS 41 HG2 LYS 41 31.964 -11.589 10.131 258 HG3 LYS 41 HG3 LYS 41 33.202 -12.322 11.151 259 HD2 LYS 41 HD2 LYS 41 34.551 -10.202 10.933 260 HD3 LYS 41 HD3 LYS 41 33.200 -9.490 10.047 261 HE2 LYS 41 HE2 LYS 41 31.743 -9.860 12.048 262 HE3 LYS 41 HE3 LYS 41 33.149 -10.462 12.930 263 HZ1 LYS 41 HZ1 LYS 41 32.858 -7.739 11.782 264 HZ2 LYS 41 HZ2 LYS 41 34.202 -8.306 12.633 265 HZ3 LYS 41 HZ3 LYS 41 32.717 -8.136 13.419 266 H GLY 42 H GLY 42 35.517 -14.794 9.534 267 HA2 GLY 42 HA2 GLY 42 35.460 -15.050 12.346 268 HA3 GLY 42 HA3 GLY 42 36.017 -16.266 11.212 269 H ALA 43 H ALA 43 38.159 -14.693 10.093 270 HA ALA 43 HA ALA 43 40.285 -15.161 11.967 271 HB1 ALA 43 HB1 ALA 43 40.590 -15.427 9.538 272 HB2 ALA 43 HB2 ALA 43 41.737 -14.262 10.190 273 HB3 ALA 43 HB3 ALA 43 40.320 -13.698 9.299 274 H GLN 44 H GLN 44 38.490 -12.340 10.892 275 HA GLN 44 HA GLN 44 40.062 -10.309 12.140 276 HB2 GLN 44 HB2 GLN 44 38.522 -9.932 10.220 277 HB3 GLN 44 HB3 GLN 44 37.143 -10.311 11.234 278 HG2 GLN 44 HG2 GLN 44 38.956 -7.962 11.849 279 HG3 GLN 44 HG3 GLN 44 37.647 -7.830 10.680 280 HE21 GLN 44 HE21 GLN 44 37.972 -6.371 13.149 281 HE22 GLN 44 HE22 GLN 44 36.579 -6.711 14.114 282 H GLU 45 H GLU 45 37.095 -12.009 13.029 283 HA GLU 45 HA GLU 45 36.482 -10.797 15.448 284 HB2 GLU 45 HB2 GLU 45 35.330 -12.748 13.752 285 HB3 GLU 45 HB3 GLU 45 35.601 -13.636 15.240 286 HG2 GLU 45 HG2 GLU 45 34.152 -10.996 15.134 287 HG3 GLU 45 HG3 GLU 45 33.328 -12.544 14.952 288 H ARG 46 H ARG 46 38.367 -13.740 14.741 289 HA ARG 46 HA ARG 46 38.610 -14.603 17.432 290 HB2 ARG 46 HB2 ARG 46 40.110 -16.297 16.665 291 HB3 ARG 46 HB3 ARG 46 38.872 -16.107 15.429 292 HG2 ARG 46 HG2 ARG 46 40.432 -14.826 14.034 293 HG3 ARG 46 HG3 ARG 46 41.659 -14.929 15.295 294 HD2 ARG 46 HD2 ARG 46 41.529 -17.455 15.069 295 HD3 ARG 46 HD3 ARG 46 40.538 -17.195 13.628 296 HE ARG 46 HE ARG 46 42.665 -15.718 13.021 297 HH11 ARG 46 HH11 ARG 46 42.577 -18.974 14.374 298 HH12 ARG 46 HH12 ARG 46 44.091 -19.430 13.656 299 HH21 ARG 46 HH21 ARG 46 44.651 -16.347 12.103 300 HH22 ARG 46 HH22 ARG 46 45.266 -17.947 12.388 301 H HIS 47 H HIS 47 40.544 -12.374 15.467 302 HA HIS 47 HA HIS 47 42.822 -12.384 17.197 303 HB2 HIS 47 HB2 HIS 47 42.464 -11.301 14.701 304 HB3 HIS 47 HB3 HIS 47 42.335 -9.838 15.668 305 HD2 HIS 47 HD2 HIS 47 44.917 -12.468 14.545 306 HE1 HIS 47 HE1 HIS 47 47.005 -9.753 16.984 307 HE2 HIS 47 HE2 HIS 47 47.215 -11.559 15.245 308 H LEU 48 H LEU 48 39.728 -10.869 17.368 309 HA LEU 48 HA LEU 48 40.470 -8.975 19.458 310 HB2 LEU 48 HB2 LEU 48 37.762 -9.821 18.330 311 HB3 LEU 48 HB3 LEU 48 37.966 -8.590 19.571 312 HG LEU 48 HG LEU 48 39.130 -8.396 16.762 313 HD11 LEU 48 HD11 LEU 48 36.674 -7.018 17.887 314 HD12 LEU 48 HD12 LEU 48 36.678 -8.304 16.679 315 HD13 LEU 48 HD13 LEU 48 37.390 -6.738 16.295 316 HD21 LEU 48 HD21 LEU 48 39.589 -6.044 17.349 317 HD22 LEU 48 HD22 LEU 48 40.448 -7.144 18.420 318 HD23 LEU 48 HD23 LEU 48 38.994 -6.323 18.989 319 H ARG 49 H ARG 49 38.221 -11.794 19.303 320 HA ARG 49 HA ARG 49 37.648 -11.713 22.080 321 HB2 ARG 49 HB2 ARG 49 36.311 -13.727 21.697 322 HB3 ARG 49 HB3 ARG 49 36.049 -12.560 20.406 323 HG2 ARG 49 HG2 ARG 49 37.614 -13.865 18.956 324 HG3 ARG 49 HG3 ARG 49 37.766 -15.057 20.249 325 HD2 ARG 49 HD2 ARG 49 35.325 -15.483 20.126 326 HD3 ARG 49 HD3 ARG 49 35.207 -14.333 18.787 327 HE ARG 49 HE ARG 49 36.925 -16.736 18.602 328 HH11 ARG 49 HH11 ARG 49 34.350 -14.772 17.286 329 HH12 ARG 49 HH12 ARG 49 34.102 -15.790 15.907 330 HH21 ARG 49 HH21 ARG 49 36.587 -18.081 16.789 331 HH22 ARG 49 HH22 ARG 49 35.382 -17.654 15.613 332 H LEU 50 H LEU 50 40.183 -13.376 20.339 333 HA LEU 50 HA LEU 50 40.820 -15.115 22.643 334 HB2 LEU 50 HB2 LEU 50 42.130 -15.008 19.896 335 HB3 LEU 50 HB3 LEU 50 42.464 -16.191 21.151 336 HG LEU 50 HG LEU 50 39.827 -15.902 19.651 337 HD11 LEU 50 HD11 LEU 50 41.980 -18.031 19.408 338 HD12 LEU 50 HD12 LEU 50 41.598 -16.790 18.214 339 HD13 LEU 50 HD13 LEU 50 40.418 -18.045 18.582 340 HD21 LEU 50 HD21 LEU 50 39.147 -18.002 20.762 341 HD22 LEU 50 HD22 LEU 50 39.420 -16.716 21.933 342 HD23 LEU 50 HD23 LEU 50 40.630 -17.984 21.724 343 H LEU 51 H LEU 51 42.762 -13.093 20.395 344 HA LEU 51 HA LEU 51 44.925 -12.972 22.317 345 HB2 LEU 51 HB2 LEU 51 44.698 -11.800 19.524 346 HB3 LEU 51 HB3 LEU 51 46.162 -11.813 20.495 347 HG LEU 51 HG LEU 51 44.735 -14.265 19.385 348 HD11 LEU 51 HD11 LEU 51 46.749 -14.581 18.008 349 HD12 LEU 51 HD12 LEU 51 47.430 -13.082 18.644 350 HD13 LEU 51 HD13 LEU 51 45.968 -13.040 17.657 351 HD21 LEU 51 HD21 LEU 51 45.674 -14.825 21.575 352 HD22 LEU 51 HD22 LEU 51 47.237 -14.147 21.116 353 HD23 LEU 51 HD23 LEU 51 46.625 -15.589 20.305 354 H HIS 52 H HIS 52 43.184 -10.452 20.482 355 HA HIS 52 HA HIS 52 44.099 -8.351 22.289 356 HB2 HIS 52 HB2 HIS 52 42.957 -8.401 19.490 357 HB3 HIS 52 HB3 HIS 52 42.668 -6.945 20.434 358 HD2 HIS 52 HD2 HIS 52 45.676 -7.115 21.908 359 HE1 HIS 52 HE1 HIS 52 46.934 -6.087 18.040 360 HE2 HIS 52 HE2 HIS 52 47.473 -5.975 20.480 361 H ALA 53 H ALA 53 42.472 -10.071 23.579 362 HA ALA 53 HA ALA 53 39.747 -9.153 23.785 363 HB1 ALA 53 HB1 ALA 53 39.560 -10.850 25.561 364 HB2 ALA 53 HB2 ALA 53 41.309 -11.087 25.537 365 HB3 ALA 53 HB3 ALA 53 40.341 -11.527 24.129 366 H ALA 54 H ALA 54 42.549 -7.767 24.750 367 HA ALA 54 HA ALA 54 41.951 -6.857 27.393 368 HB1 ALA 54 HB1 ALA 54 44.257 -7.013 26.533 369 HB2 ALA 54 HB2 ALA 54 43.886 -5.374 27.064 370 HB3 ALA 54 HB3 ALA 54 43.907 -5.761 25.341 371 H GLN 55 H GLN 55 40.964 -5.860 24.213 372 HA GLN 55 HA GLN 55 39.978 -3.244 25.186 373 HB2 GLN 55 HB2 GLN 55 40.310 -4.294 22.351 374 HB3 GLN 55 HB3 GLN 55 39.604 -2.731 22.749 375 HG2 GLN 55 HG2 GLN 55 42.453 -3.604 23.322 376 HG3 GLN 55 HG3 GLN 55 41.944 -2.495 22.054 377 HE21 GLN 55 HE21 GLN 55 42.579 -2.856 25.447 378 HE22 GLN 55 HE22 GLN 55 42.426 -1.190 25.866 379 H VAL 56 H VAL 56 38.871 -6.374 24.043 380 HA VAL 56 HA VAL 56 36.062 -5.459 24.137 381 HB VAL 56 HB VAL 56 35.463 -7.660 23.108 382 HG11 VAL 56 HG11 VAL 56 36.253 -7.136 20.818 383 HG12 VAL 56 HG12 VAL 56 37.457 -6.031 21.485 384 HG13 VAL 56 HG13 VAL 56 35.739 -5.682 21.677 385 HG21 VAL 56 HG21 VAL 56 37.207 -9.078 22.049 386 HG22 VAL 56 HG22 VAL 56 37.361 -9.050 23.805 387 HG23 VAL 56 HG23 VAL 56 38.462 -8.094 22.812 388 H PHE 57 H PHE 57 35.144 -5.629 26.009 389 HA PHE 57 HA PHE 57 35.912 -7.554 28.069 390 HB2 PHE 57 HB2 PHE 57 33.862 -5.287 28.131 391 HB3 PHE 57 HB3 PHE 57 34.387 -6.238 29.518 392 HD1 PHE 57 HD1 PHE 57 36.592 -5.872 30.533 393 HD2 PHE 57 HD2 PHE 57 35.319 -3.551 27.170 394 HE1 PHE 57 HE1 PHE 57 38.395 -4.257 30.960 395 HE2 PHE 57 HE2 PHE 57 37.120 -1.938 27.609 396 HZ PHE 57 HZ PHE 57 38.660 -2.287 29.504 397 HA PRO 58 HA PRO 58 32.277 -9.958 26.522 398 HB2 PRO 58 HB2 PRO 58 33.458 -12.369 27.681 399 HB3 PRO 58 HB3 PRO 58 33.262 -11.950 25.973 400 HG2 PRO 58 HG2 PRO 58 35.720 -12.094 27.246 401 HG3 PRO 58 HG3 PRO 58 35.400 -11.127 25.789 402 HD2 PRO 58 HD2 PRO 58 35.538 -10.225 28.664 403 HD3 PRO 58 HD3 PRO 58 36.164 -9.437 27.205 404 H CYS 59 H CYS 59 30.484 -9.659 27.760 405 HA CYS 59 HA CYS 59 30.272 -9.680 30.569 406 HB2 CYS 59 HB2 CYS 59 28.428 -8.719 29.484 407 HB3 CYS 59 HB3 CYS 59 28.299 -10.016 28.309 408 H LYS 60 H LYS 60 30.736 -11.348 31.903 409 HA LYS 60 HA LYS 60 32.111 -13.465 30.861 410 HB2 LYS 60 HB2 LYS 60 30.976 -13.246 33.671 411 HB3 LYS 60 HB3 LYS 60 32.270 -14.346 33.191 412 HG2 LYS 60 HG2 LYS 60 33.668 -12.366 32.560 413 HG3 LYS 60 HG3 LYS 60 32.385 -11.309 33.157 414 HD2 LYS 60 HD2 LYS 60 32.655 -12.250 35.434 415 HD3 LYS 60 HD3 LYS 60 33.909 -13.343 34.842 416 HE2 LYS 60 HE2 LYS 60 34.070 -10.310 34.884 417 HE3 LYS 60 HE3 LYS 60 34.893 -11.406 35.996 418 HZ1 LYS 60 HZ1 LYS 60 35.342 -11.303 33.060 419 HZ2 LYS 60 HZ2 LYS 60 36.152 -12.297 34.161 420 HZ3 LYS 60 HZ3 LYS 60 36.350 -10.621 34.234 421 H TYR 61 H TYR 61 28.726 -13.563 31.742 422 HA TYR 61 HA TYR 61 28.499 -16.421 31.980 423 HB2 TYR 61 HB2 TYR 61 26.281 -14.385 31.525 424 HB3 TYR 61 HB3 TYR 61 26.098 -16.013 32.171 425 HD1 TYR 61 HD1 TYR 61 27.171 -12.552 32.921 426 HD2 TYR 61 HD2 TYR 61 26.694 -16.485 34.546 427 HE1 TYR 61 HE1 TYR 61 27.441 -11.653 35.191 428 HE2 TYR 61 HE2 TYR 61 26.960 -15.570 36.811 429 HH TYR 61 HH TYR 61 27.971 -13.629 37.902 430 H CYS 62 H CYS 62 28.540 -14.273 29.306 431 HA CYS 62 HA CYS 62 27.829 -16.401 27.389 432 HB2 CYS 62 HB2 CYS 62 26.765 -14.683 25.938 433 HB3 CYS 62 HB3 CYS 62 25.914 -14.870 27.453 434 HA PRO 63 HA PRO 63 31.626 -14.982 25.311 435 HB2 PRO 63 HB2 PRO 63 31.279 -15.862 22.775 436 HB3 PRO 63 HB3 PRO 63 31.435 -16.992 24.129 437 HG2 PRO 63 HG2 PRO 63 28.912 -16.020 22.777 438 HG3 PRO 63 HG3 PRO 63 29.397 -17.685 23.172 439 HD2 PRO 63 HD2 PRO 63 27.714 -16.227 24.761 440 HD3 PRO 63 HD3 PRO 63 28.817 -17.461 25.414 441 H ALA 64 H ALA 64 28.817 -13.339 25.013 442 HA ALA 64 HA ALA 64 29.186 -11.662 22.752 443 HB1 ALA 64 HB1 ALA 64 27.558 -11.160 25.278 444 HB2 ALA 64 HB2 ALA 64 26.980 -11.917 23.794 445 HB3 ALA 64 HB3 ALA 64 27.451 -10.218 23.786 446 H THR 65 H THR 65 30.864 -10.332 22.495 447 HA THR 65 HA THR 65 32.321 -9.197 24.769 448 HB THR 65 HB THR 65 33.873 -8.380 22.894 449 HG1 THR 65 HG1 THR 65 33.315 -10.075 21.018 450 HG21 THR 65 HG21 THR 65 34.397 -10.372 24.231 451 HG22 THR 65 HG22 THR 65 34.916 -10.574 22.554 452 HG23 THR 65 HG23 THR 65 33.449 -11.374 23.125 453 H PHE 66 H PHE 66 32.668 -7.032 25.061 454 HA PHE 66 HA PHE 66 31.042 -5.057 23.568 455 HB2 PHE 66 HB2 PHE 66 31.152 -5.319 26.624 456 HB3 PHE 66 HB3 PHE 66 30.390 -3.992 25.745 457 HD1 PHE 66 HD1 PHE 66 28.305 -4.369 24.461 458 HD2 PHE 66 HD2 PHE 66 30.063 -7.506 26.787 459 HE1 PHE 66 HE1 PHE 66 26.211 -5.645 24.327 460 HE2 PHE 66 HE2 PHE 66 27.958 -8.768 26.651 461 HZ PHE 66 HZ PHE 66 26.032 -7.840 25.421 462 H TYR 67 H TYR 67 32.311 -3.399 22.963 463 HA TYR 67 HA TYR 67 35.101 -3.456 23.527 464 HB2 TYR 67 HB2 TYR 67 33.795 -2.657 21.373 465 HB3 TYR 67 HB3 TYR 67 33.712 -1.102 22.192 466 HD1 TYR 67 HD1 TYR 67 36.101 -3.690 20.939 467 HD2 TYR 67 HD2 TYR 67 35.620 0.396 22.094 468 HE1 TYR 67 HE1 TYR 67 38.361 -3.188 20.120 469 HE2 TYR 67 HE2 TYR 67 37.882 0.895 21.272 470 HH TYR 67 HH TYR 67 39.995 -0.298 20.827 471 H SER 68 H SER 68 32.505 -1.984 25.173 472 HA SER 68 HA SER 68 34.323 -0.378 26.866 473 HB2 SER 68 HB2 SER 68 31.385 0.178 26.223 474 HB3 SER 68 HB3 SER 68 32.392 1.130 27.315 475 HG SER 68 HG SER 68 33.805 1.296 25.333 476 H SER 69 H SER 69 34.160 -0.674 29.063 477 HA SER 69 HA SER 69 32.974 -3.020 30.119 478 HB2 SER 69 HB2 SER 69 33.748 -2.110 32.352 479 HB3 SER 69 HB3 SER 69 35.005 -2.253 31.126 480 HG SER 69 HG SER 69 34.266 -0.097 32.481 481 HA PRO 70 HA PRO 70 29.284 0.156 31.573 482 HB2 PRO 70 HB2 PRO 70 29.400 1.265 28.750 483 HB3 PRO 70 HB3 PRO 70 28.650 1.966 30.196 484 HG2 PRO 70 HG2 PRO 70 31.036 2.829 29.389 485 HG3 PRO 70 HG3 PRO 70 30.718 2.586 31.122 486 HD2 PRO 70 HD2 PRO 70 32.353 0.920 29.243 487 HD3 PRO 70 HD3 PRO 70 32.562 1.188 30.982 488 H GLY 71 H GLY 71 29.915 -0.997 28.215 489 HA2 GLY 71 HA2 GLY 71 27.340 -2.135 27.757 490 HA3 GLY 71 HA3 GLY 71 28.798 -2.474 26.837 491 H LEU 72 H LEU 72 30.388 -3.483 28.883 492 HA LEU 72 HA LEU 72 29.933 -6.195 29.065 493 HB2 LEU 72 HB2 LEU 72 32.098 -5.299 29.528 494 HB3 LEU 72 HB3 LEU 72 31.482 -4.228 30.763 495 HG LEU 72 HG LEU 72 31.072 -6.290 32.218 496 HD11 LEU 72 HD11 LEU 72 32.283 -8.336 31.704 497 HD12 LEU 72 HD12 LEU 72 32.782 -7.672 30.146 498 HD13 LEU 72 HD13 LEU 72 31.077 -7.985 30.468 499 HD21 LEU 72 HD21 LEU 72 32.969 -4.795 32.611 500 HD22 LEU 72 HD22 LEU 72 33.942 -5.689 31.439 501 HD23 LEU 72 HD23 LEU 72 33.413 -6.467 32.934 502 H THR 73 H THR 73 29.305 -3.772 31.634 503 HA THR 73 HA THR 73 28.052 -5.647 33.399 504 HB THR 73 HB THR 73 29.251 -3.697 34.326 505 HG1 THR 73 HG1 THR 73 27.628 -4.602 35.619 506 HG21 THR 73 HG21 THR 73 28.250 -1.437 34.307 507 HG22 THR 73 HG22 THR 73 26.984 -1.996 33.216 508 HG23 THR 73 HG23 THR 73 28.657 -1.958 32.662 509 H ARG 74 H ARG 74 26.827 -3.409 30.917 510 HA ARG 74 HA ARG 74 24.136 -3.429 31.873 511 HB2 ARG 74 HB2 ARG 74 25.284 -2.544 29.224 512 HB3 ARG 74 HB3 ARG 74 23.546 -2.558 29.518 513 HG2 ARG 74 HG2 ARG 74 24.010 -1.073 31.555 514 HG3 ARG 74 HG3 ARG 74 25.646 -0.886 30.921 515 HD2 ARG 74 HD2 ARG 74 23.058 -0.065 29.560 516 HD3 ARG 74 HD3 ARG 74 24.301 1.012 30.209 517 HE ARG 74 HE ARG 74 24.452 -0.603 27.751 518 HH11 ARG 74 HH11 ARG 74 25.975 1.741 29.851 519 HH12 ARG 74 HH12 ARG 74 27.117 2.247 28.647 520 HH21 ARG 74 HH21 ARG 74 25.925 0.048 26.199 521 HH22 ARG 74 HH22 ARG 74 27.105 1.264 26.572 522 H HIS 75 H HIS 75 25.856 -5.755 29.845 523 HA HIS 75 HA HIS 75 23.389 -7.031 29.021 524 HB2 HIS 75 HB2 HIS 75 25.820 -7.429 28.017 525 HB3 HIS 75 HB3 HIS 75 25.933 -8.669 29.259 526 HD2 HIS 75 HD2 HIS 75 23.744 -7.777 26.139 527 HE1 HIS 75 HE1 HIS 75 23.148 -11.861 26.957 528 HE2 HIS 75 HE2 HIS 75 22.774 -10.006 25.309 529 H ILE 76 H ILE 76 25.579 -7.263 31.743 530 HA ILE 76 HA ILE 76 24.280 -9.458 33.064 531 HB ILE 76 HB ILE 76 26.116 -7.359 34.324 532 HG12 ILE 76 HG12 ILE 76 26.907 -10.018 33.015 533 HG13 ILE 76 HG13 ILE 76 27.190 -8.427 32.322 534 HG21 ILE 76 HG21 ILE 76 26.657 -9.133 35.992 535 HG22 ILE 76 HG22 ILE 76 25.498 -10.220 35.219 536 HG23 ILE 76 HG23 ILE 76 24.938 -8.743 36.005 537 HD11 ILE 76 HD11 ILE 76 29.208 -9.329 33.277 538 HD12 ILE 76 HD12 ILE 76 28.429 -9.516 34.848 539 HD13 ILE 76 HD13 ILE 76 28.706 -7.903 34.184 540 H ASN 77 H ASN 77 23.642 -6.034 32.838 541 HA ASN 77 HA ASN 77 21.765 -5.986 35.063 542 HB2 ASN 77 HB2 ASN 77 22.509 -3.927 32.957 543 HB3 ASN 77 HB3 ASN 77 21.208 -3.654 34.110 544 HD21 ASN 77 HD21 ASN 77 24.263 -5.286 34.919 545 HD22 ASN 77 HD22 ASN 77 24.863 -4.043 35.947 546 H LYS 78 H LYS 78 21.639 -6.222 31.510 547 HA LYS 78 HA LYS 78 18.724 -5.905 31.453 548 HB2 LYS 78 HB2 LYS 78 20.230 -4.695 29.832 549 HB3 LYS 78 HB3 LYS 78 20.709 -6.245 29.159 550 HG2 LYS 78 HG2 LYS 78 19.100 -5.268 27.673 551 HG3 LYS 78 HG3 LYS 78 18.317 -6.630 28.478 552 HD2 LYS 78 HD2 LYS 78 17.104 -5.120 29.970 553 HD3 LYS 78 HD3 LYS 78 17.996 -3.729 29.347 554 HE2 LYS 78 HE2 LYS 78 16.051 -5.439 27.755 555 HE3 LYS 78 HE3 LYS 78 15.718 -3.833 28.404 556 HZ1 LYS 78 HZ1 LYS 78 16.280 -3.651 26.107 557 HZ2 LYS 78 HZ2 LYS 78 17.713 -4.521 26.312 558 HZ3 LYS 78 HZ3 LYS 78 17.553 -2.989 27.006 559 H CYS 79 H CYS 79 21.067 -8.258 30.076 560 HA CYS 79 HA CYS 79 18.897 -10.262 29.798 561 HB2 CYS 79 HB2 CYS 79 21.168 -9.654 27.872 562 HB3 CYS 79 HB3 CYS 79 19.983 -10.944 27.668 563 HG CYS 79 HG CYS 79 18.000 -8.602 28.001 564 H HIS 80 H HIS 80 21.209 -9.805 31.795 565 HA HIS 80 HA HIS 80 21.488 -12.614 32.370 566 HB2 HIS 80 HB2 HIS 80 23.842 -11.052 31.313 567 HB3 HIS 80 HB3 HIS 80 24.181 -11.982 32.770 568 HD2 HIS 80 HD2 HIS 80 22.248 -14.523 31.876 569 HE1 HIS 80 HE1 HIS 80 25.085 -14.949 28.848 570 HE2 HIS 80 HE2 HIS 80 23.168 -16.025 30.026 571 HA PRO 81 HA PRO 81 21.336 -9.336 35.743 572 HB2 PRO 81 HB2 PRO 81 18.681 -9.212 36.359 573 HB3 PRO 81 HB3 PRO 81 19.415 -8.308 35.033 574 HG2 PRO 81 HG2 PRO 81 17.607 -10.640 34.924 575 HG3 PRO 81 HG3 PRO 81 17.996 -9.470 33.651 576 HD2 PRO 81 HD2 PRO 81 19.085 -12.149 34.051 577 HD3 PRO 81 HD3 PRO 81 19.379 -11.027 32.708 578 H SER 82 H SER 82 18.759 -11.756 36.436 579 HA SER 82 HA SER 82 19.620 -11.969 39.170 580 HB2 SER 82 HB2 SER 82 17.221 -12.017 38.619 581 HB3 SER 82 HB3 SER 82 17.453 -13.451 37.616 582 HG SER 82 HG SER 82 18.092 -13.379 40.370 583 H GLU 83 H GLU 83 19.096 -14.398 36.622 584 HA GLU 83 HA GLU 83 20.011 -16.368 36.075 585 HB2 GLU 83 HB2 GLU 83 22.562 -15.043 37.105 586 HB3 GLU 83 HB3 GLU 83 22.520 -16.488 36.097 587 HG2 GLU 83 HG2 GLU 83 21.732 -13.665 35.348 588 HG3 GLU 83 HG3 GLU 83 23.011 -14.659 34.646 589 H ASN 84 H ASN 84 19.068 -16.012 38.943 590 HA ASN 84 HA ASN 84 19.738 -18.583 39.974 591 HB2 ASN 84 HB2 ASN 84 21.850 -17.350 40.561 592 HB3 ASN 84 HB3 ASN 84 20.910 -16.186 41.488 593 HD21 ASN 84 HD21 ASN 84 19.934 -16.897 43.456 594 HD22 ASN 84 HD22 ASN 84 20.491 -18.309 44.282 595 H ARG 85 H ARG 85 17.414 -18.570 39.851 596 HA ARG 85 HA ARG 85 16.188 -17.537 42.349 597 HB2 ARG 85 HB2 ARG 85 14.780 -17.656 39.629 598 HB3 ARG 85 HB3 ARG 85 14.018 -17.233 41.158 599 HG2 ARG 85 HG2 ARG 85 15.583 -15.262 41.306 600 HG3 ARG 85 HG3 ARG 85 16.138 -15.653 39.680 601 HD2 ARG 85 HD2 ARG 85 14.494 -13.891 39.525 602 HD3 ARG 85 HD3 ARG 85 13.780 -15.366 38.864 603 HE ARG 85 HE ARG 85 12.817 -15.562 41.278 604 HH11 ARG 85 HH11 ARG 85 13.145 -12.553 39.491 605 HH12 ARG 85 HH12 ARG 85 11.799 -11.803 40.288 606 HH21 ARG 85 HH21 ARG 85 11.084 -14.546 42.335 607 HH22 ARG 85 HH22 ARG 85 10.641 -12.922 41.902 Start of MODEL 4 1 H1 MET 1 H1 MET 1 1.441 -8.427 40.455 2 H2 MET 1 H2 MET 1 -0.079 -7.974 39.879 3 H3 MET 1 H3 MET 1 1.305 -7.584 38.996 4 HA MET 1 HA MET 1 0.330 -10.315 39.549 5 HB2 MET 1 HB2 MET 1 0.243 -8.677 36.979 6 HB3 MET 1 HB3 MET 1 -0.196 -10.377 37.100 7 HG2 MET 1 HG2 MET 1 -2.040 -9.780 38.642 8 HG3 MET 1 HG3 MET 1 -1.616 -8.075 38.475 9 HE1 MET 1 HE1 MET 1 -1.621 -10.863 35.607 10 HE2 MET 1 HE2 MET 1 -3.276 -10.690 35.024 11 HE3 MET 1 HE3 MET 1 -2.974 -11.288 36.656 12 H GLY 2 H GLY 2 2.313 -8.667 37.028 13 HA2 GLY 2 HA2 GLY 2 4.455 -10.657 37.320 14 HA3 GLY 2 HA3 GLY 2 4.353 -9.385 36.107 15 H HIS 3 H HIS 3 6.714 -9.946 37.614 16 HA HIS 3 HA HIS 3 7.158 -7.336 38.887 17 HB2 HIS 3 HB2 HIS 3 6.483 -8.900 40.733 18 HB3 HIS 3 HB3 HIS 3 7.811 -9.966 40.304 19 HD1 HIS 3 HD1 HIS 3 7.088 -6.635 41.890 20 HD2 HIS 3 HD2 HIS 3 10.301 -9.210 41.337 21 HE1 HIS 3 HE1 HIS 3 8.930 -5.737 43.339 22 HE2 HIS 3 HE2 HIS 3 10.911 -7.208 42.843 23 H HIS 4 H HIS 4 8.490 -6.790 37.199 24 HA HIS 4 HA HIS 4 10.715 -8.425 36.341 25 HB2 HIS 4 HB2 HIS 4 11.361 -6.477 34.956 26 HB3 HIS 4 HB3 HIS 4 9.669 -6.878 34.740 27 HD1 HIS 4 HD1 HIS 4 8.017 -4.994 35.054 28 HD2 HIS 4 HD2 HIS 4 11.784 -4.022 36.532 29 HE1 HIS 4 HE1 HIS 4 7.920 -2.551 35.602 30 HE2 HIS 4 HE2 HIS 4 10.193 -1.992 36.534 31 H HIS 5 H HIS 5 12.953 -8.015 36.737 32 HA HIS 5 HA HIS 5 13.568 -6.325 39.081 33 HB2 HIS 5 HB2 HIS 5 13.216 -8.680 39.828 34 HB3 HIS 5 HB3 HIS 5 14.467 -9.215 38.716 35 HD1 HIS 5 HD1 HIS 5 16.733 -9.420 39.724 36 HD2 HIS 5 HD2 HIS 5 14.322 -6.814 41.877 37 HE1 HIS 5 HE1 HIS 5 18.066 -8.783 41.751 38 HE2 HIS 5 HE2 HIS 5 16.524 -7.325 43.110 39 H HIS 6 H HIS 6 14.649 -4.795 37.936 40 HA HIS 6 HA HIS 6 17.260 -5.576 36.737 41 HB2 HIS 6 HB2 HIS 6 15.465 -3.213 36.010 42 HB3 HIS 6 HB3 HIS 6 17.117 -3.403 35.435 43 HD1 HIS 6 HD1 HIS 6 13.649 -4.412 34.728 44 HD2 HIS 6 HD2 HIS 6 17.462 -5.572 33.571 45 HE1 HIS 6 HE1 HIS 6 13.332 -5.832 32.689 46 HE2 HIS 6 HE2 HIS 6 15.665 -6.328 31.888 47 H HIS 7 H HIS 7 18.894 -3.807 36.948 48 HA HIS 7 HA HIS 7 18.425 -1.808 39.037 49 HB2 HIS 7 HB2 HIS 7 20.487 -2.301 40.249 50 HB3 HIS 7 HB3 HIS 7 19.503 -3.754 40.202 51 HD1 HIS 7 HD1 HIS 7 20.306 -5.553 38.273 52 HD2 HIS 7 HD2 HIS 7 23.082 -2.712 39.483 53 HE1 HIS 7 HE1 HIS 7 22.542 -6.457 37.586 54 HE2 HIS 7 HE2 HIS 7 24.212 -4.779 38.425 55 H HIS 8 H HIS 8 20.185 -0.141 39.025 56 HA HIS 8 HA HIS 8 21.331 0.233 36.306 57 HB2 HIS 8 HB2 HIS 8 21.139 2.688 36.712 58 HB3 HIS 8 HB3 HIS 8 19.577 1.890 36.711 59 HD1 HIS 8 HD1 HIS 8 22.011 3.577 39.056 60 HD2 HIS 8 HD2 HIS 8 18.125 2.100 39.074 61 HE1 HIS 8 HE1 HIS 8 20.993 4.389 41.196 62 HE2 HIS 8 HE2 HIS 8 18.588 3.642 41.082 63 H SER 9 H SER 9 23.464 0.757 36.160 64 HA SER 9 HA SER 9 25.028 1.263 38.613 65 HB2 SER 9 HB2 SER 9 25.799 -0.779 36.481 66 HB3 SER 9 HB3 SER 9 26.735 -0.362 37.920 67 HG SER 9 HG SER 9 24.126 -1.493 37.916 68 H HIS 10 H HIS 10 25.633 3.317 38.193 69 HA HIS 10 HA HIS 10 26.651 4.173 35.604 70 HB2 HIS 10 HB2 HIS 10 25.381 5.719 37.098 71 HB3 HIS 10 HB3 HIS 10 26.660 5.610 38.298 72 HD1 HIS 10 HD1 HIS 10 28.655 7.147 38.004 73 HD2 HIS 10 HD2 HIS 10 26.122 7.181 34.706 74 HE1 HIS 10 HE1 HIS 10 29.436 9.051 36.578 75 HE2 HIS 10 HE2 HIS 10 27.756 9.180 34.711 76 H MET 11 H MET 11 28.177 2.338 35.636 77 HA MET 11 HA MET 11 30.826 3.150 36.502 78 HB2 MET 11 HB2 MET 11 30.049 1.856 38.475 79 HB3 MET 11 HB3 MET 11 29.619 0.498 37.442 80 HG2 MET 11 HG2 MET 11 31.984 0.172 36.859 81 HG3 MET 11 HG3 MET 11 32.430 1.563 37.849 82 HE1 MET 11 HE1 MET 11 34.249 -0.026 39.052 83 HE2 MET 11 HE2 MET 11 33.720 -1.410 38.095 84 HE3 MET 11 HE3 MET 11 33.829 -1.543 39.849 85 H GLY 12 H GLY 12 32.274 2.569 35.009 86 HA2 GLY 12 HA2 GLY 12 32.929 0.569 33.511 87 HA3 GLY 12 HA3 GLY 12 31.400 0.921 32.713 88 H ASP 13 H ASP 13 34.673 1.896 33.158 89 HA ASP 13 HA ASP 13 34.717 3.343 30.702 90 HB2 ASP 13 HB2 ASP 13 35.432 5.551 31.539 91 HB3 ASP 13 HB3 ASP 13 33.813 5.177 32.109 92 H GLY 14 H GLY 14 37.063 4.595 30.741 93 HA2 GLY 14 HA2 GLY 14 39.206 3.642 32.231 94 HA3 GLY 14 HA3 GLY 14 39.021 2.544 30.858 95 H GLU 15 H GLU 15 40.627 3.087 29.497 96 HA GLU 15 HA GLU 15 41.501 5.786 28.996 97 HB2 GLU 15 HB2 GLU 15 42.058 3.146 27.558 98 HB3 GLU 15 HB3 GLU 15 42.777 4.674 27.071 99 HG2 GLU 15 HG2 GLU 15 44.354 3.377 28.382 100 HG3 GLU 15 HG3 GLU 15 43.935 4.866 29.220 101 H GLY 16 H GLY 16 39.237 3.538 27.573 102 HA2 GLY 16 HA2 GLY 16 37.414 4.002 26.186 103 HA3 GLY 16 HA3 GLY 16 38.112 5.568 25.788 104 H ALA 17 H ALA 17 38.354 5.551 23.614 105 HA ALA 17 HA ALA 17 39.681 3.238 22.315 106 HB1 ALA 17 HB1 ALA 17 37.448 3.781 21.417 107 HB2 ALA 17 HB2 ALA 17 38.710 4.061 20.214 108 HB3 ALA 17 HB3 ALA 17 37.983 5.425 21.067 109 H GLY 18 H GLY 18 41.409 3.663 20.840 110 HA2 GLY 18 HA2 GLY 18 42.557 6.143 20.216 111 HA3 GLY 18 HA3 GLY 18 43.313 5.580 21.709 112 H VAL 19 H VAL 19 42.160 3.751 18.905 113 HA VAL 19 HA VAL 19 44.726 2.317 18.756 114 HB VAL 19 HB VAL 19 43.542 0.605 17.517 115 HG11 VAL 19 HG11 VAL 19 43.331 0.482 19.950 116 HG12 VAL 19 HG12 VAL 19 41.849 -0.099 19.192 117 HG13 VAL 19 HG13 VAL 19 41.895 1.513 19.908 118 HG21 VAL 19 HG21 VAL 19 41.083 2.406 17.540 119 HG22 VAL 19 HG22 VAL 19 41.133 0.743 16.956 120 HG23 VAL 19 HG23 VAL 19 42.053 1.992 16.122 121 H LEU 20 H LEU 20 45.147 1.508 16.358 122 HA LEU 20 HA LEU 20 44.496 3.235 14.187 123 HB2 LEU 20 HB2 LEU 20 46.861 4.036 13.733 124 HB3 LEU 20 HB3 LEU 20 46.033 4.794 15.077 125 HG LEU 20 HG LEU 20 47.370 3.226 16.625 126 HD11 LEU 20 HD11 LEU 20 49.025 2.788 14.125 127 HD12 LEU 20 HD12 LEU 20 48.145 1.559 15.038 128 HD13 LEU 20 HD13 LEU 20 49.527 2.374 15.767 129 HD21 LEU 20 HD21 LEU 20 48.878 5.299 15.008 130 HD22 LEU 20 HD22 LEU 20 49.363 4.672 16.584 131 HD23 LEU 20 HD23 LEU 20 47.877 5.605 16.431 132 H GLY 21 H GLY 21 46.075 2.725 12.246 133 HA2 GLY 21 HA2 GLY 21 47.295 0.081 12.262 134 HA3 GLY 21 HA3 GLY 21 45.835 0.217 11.284 135 H LEU 22 H LEU 22 48.824 -0.088 10.700 136 HA LEU 22 HA LEU 22 49.589 2.344 9.342 137 HB2 LEU 22 HB2 LEU 22 51.074 0.572 10.590 138 HB3 LEU 22 HB3 LEU 22 51.004 -0.329 9.094 139 HG LEU 22 HG LEU 22 53.098 0.982 9.386 140 HD11 LEU 22 HD11 LEU 22 53.245 1.982 7.159 141 HD12 LEU 22 HD12 LEU 22 51.486 1.944 7.012 142 HD13 LEU 22 HD13 LEU 22 52.397 0.437 7.105 143 HD21 LEU 22 HD21 LEU 22 52.213 2.888 10.632 144 HD22 LEU 22 HD22 LEU 22 51.351 3.449 9.195 145 HD23 LEU 22 HD23 LEU 22 53.115 3.420 9.216 146 H SER 23 H SER 23 49.168 2.813 7.282 147 HA SER 23 HA SER 23 48.481 2.811 5.156 148 HB2 SER 23 HB2 SER 23 50.438 1.359 4.742 149 HB3 SER 23 HB3 SER 23 49.485 -0.075 5.121 150 HG SER 23 HG SER 23 49.159 1.698 2.927 151 H ALA 24 H ALA 24 47.626 -0.627 5.621 152 HA ALA 24 HA ALA 24 45.720 -1.797 5.399 153 HB1 ALA 24 HB1 ALA 24 43.761 -1.044 6.686 154 HB2 ALA 24 HB2 ALA 24 44.450 0.580 6.804 155 HB3 ALA 24 HB3 ALA 24 45.250 -0.779 7.597 156 H SER 25 H SER 25 46.370 -0.863 3.071 157 HA SER 25 HA SER 25 44.500 0.855 1.740 158 HB2 SER 25 HB2 SER 25 46.581 -1.041 0.569 159 HB3 SER 25 HB3 SER 25 45.769 0.265 -0.301 160 HG SER 25 HG SER 25 46.820 1.262 1.943 161 H ALA 26 H ALA 26 44.083 -2.273 2.776 162 HA ALA 26 HA ALA 26 41.871 -2.758 0.862 163 HB1 ALA 26 HB1 ALA 26 43.572 -4.567 0.833 164 HB2 ALA 26 HB2 ALA 26 42.027 -5.145 1.451 165 HB3 ALA 26 HB3 ALA 26 43.351 -4.807 2.567 166 H GLU 27 H GLU 27 39.881 -3.566 1.839 167 HA GLU 27 HA GLU 27 39.414 -2.427 4.538 168 HB2 GLU 27 HB2 GLU 27 38.185 -1.327 2.657 169 HB3 GLU 27 HB3 GLU 27 37.438 -2.870 2.248 170 HG2 GLU 27 HG2 GLU 27 36.368 -2.886 4.535 171 HG3 GLU 27 HG3 GLU 27 36.988 -1.254 4.787 172 H CYS 28 H CYS 28 37.382 -4.736 2.743 173 HA CYS 28 HA CYS 28 35.978 -6.308 3.513 174 HB2 CYS 28 HB2 CYS 28 38.610 -7.408 4.537 175 HB3 CYS 28 HB3 CYS 28 37.112 -8.330 4.515 176 HG CYS 28 HG CYS 28 37.031 -8.833 1.933 177 H HIS 29 H HIS 29 38.048 -6.646 6.372 178 HA HIS 29 HA HIS 29 36.417 -5.017 8.076 179 HB2 HIS 29 HB2 HIS 29 35.960 -6.975 9.718 180 HB3 HIS 29 HB3 HIS 29 34.957 -6.892 8.278 181 HD1 HIS 29 HD1 HIS 29 35.013 -8.907 6.717 182 HD2 HIS 29 HD2 HIS 29 37.884 -9.113 9.675 183 HE1 HIS 29 HE1 HIS 29 35.940 -11.215 6.570 184 HE2 HIS 29 HE2 HIS 29 37.835 -11.223 8.225 185 H LEU 30 H LEU 30 37.659 -4.185 9.656 186 HA LEU 30 HA LEU 30 40.446 -5.142 9.959 187 HB2 LEU 30 HB2 LEU 30 39.308 -2.513 10.988 188 HB3 LEU 30 HB3 LEU 30 40.996 -2.932 10.734 189 HG LEU 30 HG LEU 30 38.922 -2.362 8.575 190 HD11 LEU 30 HD11 LEU 30 40.294 -0.390 8.062 191 HD12 LEU 30 HD12 LEU 30 41.368 -0.776 9.408 192 HD13 LEU 30 HD13 LEU 30 39.684 -0.341 9.715 193 HD21 LEU 30 HD21 LEU 30 41.846 -3.094 8.201 194 HD22 LEU 30 HD22 LEU 30 40.744 -2.549 6.932 195 HD23 LEU 30 HD23 LEU 30 40.451 -4.082 7.746 196 H CYS 31 H CYS 31 41.233 -5.779 11.971 197 HA CYS 31 HA CYS 31 39.585 -6.459 14.169 198 HB2 CYS 31 HB2 CYS 31 41.699 -7.569 13.943 199 HB3 CYS 31 HB3 CYS 31 42.582 -6.052 13.897 200 HA PRO 32 HA PRO 32 38.513 -2.274 15.585 201 HB2 PRO 32 HB2 PRO 32 38.172 -3.838 18.155 202 HB3 PRO 32 HB3 PRO 32 37.126 -2.588 17.456 203 HG2 PRO 32 HG2 PRO 32 36.467 -5.136 17.156 204 HG3 PRO 32 HG3 PRO 32 36.321 -4.031 15.769 205 HD2 PRO 32 HD2 PRO 32 38.416 -6.116 16.321 206 HD3 PRO 32 HD3 PRO 32 37.696 -5.620 14.780 207 H VAL 33 H VAL 33 40.966 -4.191 17.279 208 HA VAL 33 HA VAL 33 41.864 -1.852 18.818 209 HB VAL 33 HB VAL 33 43.043 -4.652 18.983 210 HG11 VAL 33 HG11 VAL 33 43.002 -2.341 20.967 211 HG12 VAL 33 HG12 VAL 33 44.392 -2.881 20.022 212 HG13 VAL 33 HG13 VAL 33 43.710 -3.933 21.260 213 HG21 VAL 33 HG21 VAL 33 41.520 -5.100 20.882 214 HG22 VAL 33 HG22 VAL 33 40.626 -4.866 19.380 215 HG23 VAL 33 HG23 VAL 33 40.685 -3.572 20.578 216 H CYS 34 H CYS 34 42.771 -3.643 15.968 217 HA CYS 34 HA CYS 34 44.940 -1.748 15.480 218 HB2 CYS 34 HB2 CYS 34 46.640 -3.386 14.957 219 HB3 CYS 34 HB3 CYS 34 46.047 -3.749 16.569 220 H GLY 35 H GLY 35 44.401 -0.885 13.557 221 HA2 GLY 35 HA2 GLY 35 42.557 -1.960 11.718 222 HA3 GLY 35 HA3 GLY 35 43.665 -0.634 11.392 223 H GLU 36 H GLU 36 42.831 -3.708 10.531 224 HA GLU 36 HA GLU 36 45.185 -4.317 8.977 225 HB2 GLU 36 HB2 GLU 36 45.933 -4.966 11.264 226 HB3 GLU 36 HB3 GLU 36 44.529 -6.005 11.449 227 HG2 GLU 36 HG2 GLU 36 45.353 -7.537 9.771 228 HG3 GLU 36 HG3 GLU 36 46.641 -6.417 9.319 229 H SER 37 H SER 37 44.325 -5.200 7.191 230 HA SER 37 HA SER 37 41.514 -5.804 7.129 231 HB2 SER 37 HB2 SER 37 41.957 -6.037 4.635 232 HB3 SER 37 HB3 SER 37 42.387 -4.481 5.334 233 HG SER 37 HG SER 37 44.307 -4.805 4.581 234 H PHE 38 H PHE 38 40.783 -7.715 7.688 235 HA PHE 38 HA PHE 38 42.087 -10.199 6.727 236 HB2 PHE 38 HB2 PHE 38 39.878 -9.926 8.826 237 HB3 PHE 38 HB3 PHE 38 40.771 -11.386 8.418 238 HD1 PHE 38 HD1 PHE 38 43.292 -11.437 8.942 239 HD2 PHE 38 HD2 PHE 38 40.655 -8.479 10.531 240 HE1 PHE 38 HE1 PHE 38 44.901 -10.961 10.740 241 HE2 PHE 38 HE2 PHE 38 42.265 -8.015 12.319 242 HZ PHE 38 HZ PHE 38 44.385 -9.251 12.436 243 H ALA 39 H ALA 39 41.067 -11.192 5.031 244 HA ALA 39 HA ALA 39 38.400 -10.376 4.154 245 HB1 ALA 39 HB1 ALA 39 40.157 -10.810 2.474 246 HB2 ALA 39 HB2 ALA 39 38.794 -11.911 2.267 247 HB3 ALA 39 HB3 ALA 39 40.282 -12.482 3.026 248 H SER 40 H SER 40 39.927 -12.926 5.967 249 HA SER 40 HA SER 40 37.517 -14.585 6.088 250 HB2 SER 40 HB2 SER 40 39.679 -15.731 5.755 251 HB3 SER 40 HB3 SER 40 40.293 -15.049 7.258 252 HG SER 40 HG SER 40 38.167 -16.902 6.929 253 H LYS 41 H LYS 41 36.167 -14.577 7.771 254 HA LYS 41 HA LYS 41 36.235 -12.692 9.875 255 HB2 LYS 41 HB2 LYS 41 34.165 -13.639 8.947 256 HB3 LYS 41 HB3 LYS 41 34.604 -15.241 9.512 257 HG2 LYS 41 HG2 LYS 41 32.863 -14.288 10.912 258 HG3 LYS 41 HG3 LYS 41 34.342 -14.503 11.853 259 HD2 LYS 41 HD2 LYS 41 34.823 -12.123 11.748 260 HD3 LYS 41 HD3 LYS 41 33.495 -11.863 10.611 261 HE2 LYS 41 HE2 LYS 41 31.853 -12.417 12.319 262 HE3 LYS 41 HE3 LYS 41 33.123 -12.861 13.462 263 HZ1 LYS 41 HZ1 LYS 41 32.185 -10.633 13.852 264 HZ2 LYS 41 HZ2 LYS 41 32.746 -10.141 12.335 265 HZ3 LYS 41 HZ3 LYS 41 33.847 -10.588 13.537 266 H GLY 42 H GLY 42 37.498 -15.930 9.607 267 HA2 GLY 42 HA2 GLY 42 37.680 -16.723 12.278 268 HA3 GLY 42 HA3 GLY 42 38.733 -17.260 10.988 269 H ALA 43 H ALA 43 40.110 -15.046 10.309 270 HA ALA 43 HA ALA 43 42.053 -14.850 12.405 271 HB1 ALA 43 HB1 ALA 43 43.333 -13.516 10.802 272 HB2 ALA 43 HB2 ALA 43 41.923 -13.399 9.744 273 HB3 ALA 43 HB3 ALA 43 42.678 -14.966 10.030 274 H GLN 44 H GLN 44 39.508 -12.783 11.186 275 HA GLN 44 HA GLN 44 40.018 -10.328 12.429 276 HB2 GLN 44 HB2 GLN 44 38.212 -10.620 10.836 277 HB3 GLN 44 HB3 GLN 44 37.416 -11.804 11.855 278 HG2 GLN 44 HG2 GLN 44 36.186 -9.734 11.920 279 HG3 GLN 44 HG3 GLN 44 36.906 -10.016 13.505 280 HE21 GLN 44 HE21 GLN 44 36.730 -7.819 14.024 281 HE22 GLN 44 HE22 GLN 44 37.726 -6.613 13.297 282 H GLU 45 H GLU 45 38.115 -13.065 13.606 283 HA GLU 45 HA GLU 45 37.650 -11.957 16.195 284 HB2 GLU 45 HB2 GLU 45 37.203 -14.761 15.094 285 HB3 GLU 45 HB3 GLU 45 36.611 -14.198 16.659 286 HG2 GLU 45 HG2 GLU 45 35.816 -13.117 13.932 287 HG3 GLU 45 HG3 GLU 45 34.851 -14.167 14.969 288 H ARG 46 H ARG 46 40.040 -14.196 14.837 289 HA ARG 46 HA ARG 46 40.817 -15.425 17.268 290 HB2 ARG 46 HB2 ARG 46 42.344 -16.631 16.049 291 HB3 ARG 46 HB3 ARG 46 41.391 -16.030 14.702 292 HG2 ARG 46 HG2 ARG 46 43.075 -14.219 14.358 293 HG3 ARG 46 HG3 ARG 46 44.030 -14.889 15.682 294 HD2 ARG 46 HD2 ARG 46 43.416 -16.178 13.008 295 HD3 ARG 46 HD3 ARG 46 44.994 -15.661 13.614 296 HE ARG 46 HE ARG 46 43.905 -17.593 15.370 297 HH11 ARG 46 HH11 ARG 46 45.394 -17.398 12.186 298 HH12 ARG 46 HH12 ARG 46 45.822 -19.079 12.163 299 HH21 ARG 46 HH21 ARG 46 44.458 -19.799 15.298 300 HH22 ARG 46 HH22 ARG 46 45.278 -20.436 13.905 301 H HIS 47 H HIS 47 41.815 -12.406 15.761 302 HA HIS 47 HA HIS 47 43.882 -11.731 17.579 303 HB2 HIS 47 HB2 HIS 47 42.172 -10.229 15.643 304 HB3 HIS 47 HB3 HIS 47 42.716 -9.259 17.006 305 HD2 HIS 47 HD2 HIS 47 44.512 -11.683 14.433 306 HE1 HIS 47 HE1 HIS 47 47.055 -8.439 15.345 307 HE2 HIS 47 HE2 HIS 47 46.715 -10.457 13.872 308 H LEU 48 H LEU 48 40.442 -10.890 17.613 309 HA LEU 48 HA LEU 48 40.466 -9.550 20.098 310 HB2 LEU 48 HB2 LEU 48 38.134 -10.847 18.636 311 HB3 LEU 48 HB3 LEU 48 38.011 -9.594 19.869 312 HG LEU 48 HG LEU 48 39.471 -9.153 17.232 313 HD11 LEU 48 HD11 LEU 48 36.580 -8.480 17.834 314 HD12 LEU 48 HD12 LEU 48 37.154 -9.683 16.676 315 HD13 LEU 48 HD13 LEU 48 37.482 -7.972 16.403 316 HD21 LEU 48 HD21 LEU 48 39.235 -6.775 17.768 317 HD22 LEU 48 HD22 LEU 48 40.089 -7.608 19.057 318 HD23 LEU 48 HD23 LEU 48 38.392 -7.170 19.267 319 H ARG 49 H ARG 49 40.246 -12.906 19.349 320 HA ARG 49 HA ARG 49 39.198 -13.783 21.903 321 HB2 ARG 49 HB2 ARG 49 40.244 -15.293 19.474 322 HB3 ARG 49 HB3 ARG 49 39.669 -16.099 20.933 323 HG2 ARG 49 HG2 ARG 49 38.002 -14.253 19.193 324 HG3 ARG 49 HG3 ARG 49 37.972 -16.019 19.118 325 HD2 ARG 49 HD2 ARG 49 37.279 -14.379 21.578 326 HD3 ARG 49 HD3 ARG 49 36.103 -15.057 20.445 327 HE ARG 49 HE ARG 49 37.410 -17.255 21.101 328 HH11 ARG 49 HH11 ARG 49 36.203 -14.725 23.235 329 HH12 ARG 49 HH12 ARG 49 36.022 -15.798 24.582 330 HH21 ARG 49 HH21 ARG 49 37.180 -18.622 22.866 331 HH22 ARG 49 HH22 ARG 49 36.586 -18.015 24.378 332 H LEU 50 H LEU 50 42.332 -13.427 20.348 333 HA LEU 50 HA LEU 50 43.677 -14.824 22.610 334 HB2 LEU 50 HB2 LEU 50 44.537 -14.968 19.698 335 HB3 LEU 50 HB3 LEU 50 45.225 -15.865 21.044 336 HG LEU 50 HG LEU 50 42.379 -16.255 20.017 337 HD11 LEU 50 HD11 LEU 50 44.832 -17.938 19.443 338 HD12 LEU 50 HD12 LEU 50 43.967 -16.924 18.285 339 HD13 LEU 50 HD13 LEU 50 43.172 -18.332 18.986 340 HD21 LEU 50 HD21 LEU 50 42.639 -16.895 22.379 341 HD22 LEU 50 HD22 LEU 50 44.012 -17.929 21.963 342 HD23 LEU 50 HD23 LEU 50 42.398 -18.314 21.362 343 H LEU 51 H LEU 51 44.390 -12.722 19.808 344 HA LEU 51 HA LEU 51 46.924 -11.895 21.000 345 HB2 LEU 51 HB2 LEU 51 45.741 -11.154 18.294 346 HB3 LEU 51 HB3 LEU 51 47.405 -10.932 18.811 347 HG LEU 51 HG LEU 51 46.011 -13.584 18.261 348 HD11 LEU 51 HD11 LEU 51 48.322 -12.267 16.805 349 HD12 LEU 51 HD12 LEU 51 46.660 -12.386 16.221 350 HD13 LEU 51 HD13 LEU 51 47.621 -13.846 16.441 351 HD21 LEU 51 HD21 LEU 51 48.846 -13.152 19.264 352 HD22 LEU 51 HD22 LEU 51 48.166 -14.689 18.731 353 HD23 LEU 51 HD23 LEU 51 47.519 -13.897 20.164 354 H HIS 52 H HIS 52 43.821 -10.723 21.134 355 HA HIS 52 HA HIS 52 44.510 -8.095 21.976 356 HB2 HIS 52 HB2 HIS 52 43.516 -8.503 19.172 357 HB3 HIS 52 HB3 HIS 52 42.605 -7.286 20.069 358 HD2 HIS 52 HD2 HIS 52 45.487 -6.416 21.700 359 HE1 HIS 52 HE1 HIS 52 46.400 -4.819 17.921 360 HE2 HIS 52 HE2 HIS 52 46.890 -4.712 20.379 361 H ALA 53 H ALA 53 43.517 -10.179 23.275 362 HA ALA 53 HA ALA 53 40.613 -10.156 23.465 363 HB1 ALA 53 HB1 ALA 53 42.676 -11.763 25.014 364 HB2 ALA 53 HB2 ALA 53 41.873 -12.274 23.528 365 HB3 ALA 53 HB3 ALA 53 40.929 -12.034 24.995 366 H ALA 54 H ALA 54 43.259 -8.632 25.081 367 HA ALA 54 HA ALA 54 42.094 -8.375 27.695 368 HB1 ALA 54 HB1 ALA 54 44.533 -8.334 27.313 369 HB2 ALA 54 HB2 ALA 54 43.986 -6.887 28.158 370 HB3 ALA 54 HB3 ALA 54 44.374 -6.810 26.437 371 H GLN 55 H GLN 55 41.519 -6.767 24.751 372 HA GLN 55 HA GLN 55 40.567 -4.271 26.010 373 HB2 GLN 55 HB2 GLN 55 40.926 -4.905 23.051 374 HB3 GLN 55 HB3 GLN 55 40.588 -3.323 23.754 375 HG2 GLN 55 HG2 GLN 55 43.125 -4.948 24.106 376 HG3 GLN 55 HG3 GLN 55 42.936 -3.516 23.101 377 HE21 GLN 55 HE21 GLN 55 44.740 -4.087 25.373 378 HE22 GLN 55 HE22 GLN 55 44.485 -2.813 26.509 379 H VAL 56 H VAL 56 39.338 -7.255 25.059 380 HA VAL 56 HA VAL 56 36.639 -6.145 24.529 381 HB VAL 56 HB VAL 56 36.053 -8.271 23.447 382 HG11 VAL 56 HG11 VAL 56 37.447 -8.098 21.412 383 HG12 VAL 56 HG12 VAL 56 38.629 -7.129 22.297 384 HG13 VAL 56 HG13 VAL 56 37.002 -6.503 22.024 385 HG21 VAL 56 HG21 VAL 56 38.934 -9.151 23.882 386 HG22 VAL 56 HG22 VAL 56 37.702 -10.032 22.973 387 HG23 VAL 56 HG23 VAL 56 37.523 -9.815 24.715 388 H PHE 57 H PHE 57 34.877 -7.004 25.678 389 HA PHE 57 HA PHE 57 35.514 -8.399 28.209 390 HB2 PHE 57 HB2 PHE 57 33.749 -5.945 27.820 391 HB3 PHE 57 HB3 PHE 57 33.849 -6.869 29.315 392 HD1 PHE 57 HD1 PHE 57 35.873 -6.778 30.722 393 HD2 PHE 57 HD2 PHE 57 35.583 -4.452 27.144 394 HE1 PHE 57 HE1 PHE 57 37.787 -5.414 31.450 395 HE2 PHE 57 HE2 PHE 57 37.489 -3.088 27.888 396 HZ PHE 57 HZ PHE 57 38.592 -3.563 30.037 397 HA PRO 58 HA PRO 58 31.909 -10.730 26.504 398 HB2 PRO 58 HB2 PRO 58 32.644 -13.191 27.390 399 HB3 PRO 58 HB3 PRO 58 33.336 -12.470 25.929 400 HG2 PRO 58 HG2 PRO 58 34.486 -12.611 28.707 401 HG3 PRO 58 HG3 PRO 58 35.282 -12.907 27.146 402 HD2 PRO 58 HD2 PRO 58 35.484 -10.530 28.523 403 HD3 PRO 58 HD3 PRO 58 35.633 -10.647 26.757 404 H CYS 59 H CYS 59 30.070 -10.495 27.633 405 HA CYS 59 HA CYS 59 29.839 -10.420 30.475 406 HB2 CYS 59 HB2 CYS 59 28.223 -9.282 29.035 407 HB3 CYS 59 HB3 CYS 59 27.739 -10.805 28.303 408 H LYS 60 H LYS 60 30.234 -12.124 31.715 409 HA LYS 60 HA LYS 60 31.327 -14.395 30.646 410 HB2 LYS 60 HB2 LYS 60 30.314 -14.076 33.500 411 HB3 LYS 60 HB3 LYS 60 31.549 -15.215 32.960 412 HG2 LYS 60 HG2 LYS 60 33.070 -13.388 32.416 413 HG3 LYS 60 HG3 LYS 60 31.824 -12.194 32.796 414 HD2 LYS 60 HD2 LYS 60 31.824 -13.003 35.163 415 HD3 LYS 60 HD3 LYS 60 33.138 -14.114 34.758 416 HE2 LYS 60 HE2 LYS 60 34.578 -12.203 34.178 417 HE3 LYS 60 HE3 LYS 60 33.261 -11.085 34.539 418 HZ1 LYS 60 HZ1 LYS 60 33.294 -11.906 36.831 419 HZ2 LYS 60 HZ2 LYS 60 34.769 -11.209 36.387 420 HZ3 LYS 60 HZ3 LYS 60 34.616 -12.893 36.463 421 H TYR 61 H TYR 61 28.073 -14.097 31.950 422 HA TYR 61 HA TYR 61 27.704 -16.942 32.345 423 HB2 TYR 61 HB2 TYR 61 25.632 -14.730 32.649 424 HB3 TYR 61 HB3 TYR 61 25.615 -16.319 33.407 425 HD1 TYR 61 HD2 TYR 61 27.217 -12.973 33.430 426 HD2 TYR 61 HD1 TYR 61 26.918 -16.715 35.467 427 HE1 TYR 61 HE2 TYR 61 28.367 -12.005 35.362 428 HE2 TYR 61 HE1 TYR 61 28.076 -15.744 37.410 429 HH TYR 61 HH TYR 61 28.487 -12.427 37.836 430 H CYS 62 H CYS 62 27.247 -14.830 29.735 431 HA CYS 62 HA CYS 62 25.617 -16.813 28.267 432 HB2 CYS 62 HB2 CYS 62 24.327 -15.026 27.206 433 HB3 CYS 62 HB3 CYS 62 24.194 -14.816 28.955 434 HA PRO 63 HA PRO 63 28.995 -16.126 25.242 435 HB2 PRO 63 HB2 PRO 63 27.779 -17.050 22.952 436 HB3 PRO 63 HB3 PRO 63 28.453 -18.119 24.192 437 HG2 PRO 63 HG2 PRO 63 25.587 -17.250 23.781 438 HG3 PRO 63 HG3 PRO 63 26.226 -18.877 24.118 439 HD2 PRO 63 HD2 PRO 63 25.139 -17.345 26.072 440 HD3 PRO 63 HD3 PRO 63 26.511 -18.425 26.405 441 H ALA 64 H ALA 64 28.943 -13.856 25.456 442 HA ALA 64 HA ALA 64 28.015 -12.354 23.160 443 HB1 ALA 64 HB1 ALA 64 25.985 -12.305 24.566 444 HB2 ALA 64 HB2 ALA 64 26.698 -10.695 24.451 445 HB3 ALA 64 HB3 ALA 64 26.918 -11.658 25.915 446 H THR 65 H THR 65 30.007 -11.550 22.676 447 HA THR 65 HA THR 65 31.726 -10.432 24.783 448 HB THR 65 HB THR 65 32.342 -10.971 21.841 449 HG1 THR 65 HG1 THR 65 32.062 -12.806 23.298 450 HG21 THR 65 HG21 THR 65 34.203 -10.137 24.098 451 HG22 THR 65 HG22 THR 65 33.753 -9.138 22.713 452 HG23 THR 65 HG23 THR 65 34.704 -10.604 22.470 453 H PHE 66 H PHE 66 32.187 -8.324 24.986 454 HA PHE 66 HA PHE 66 31.041 -6.348 23.089 455 HB2 PHE 66 HB2 PHE 66 31.630 -6.057 26.081 456 HB3 PHE 66 HB3 PHE 66 31.049 -4.759 25.032 457 HD1 PHE 66 HD2 PHE 66 28.762 -4.883 24.034 458 HD2 PHE 66 HD1 PHE 66 30.098 -7.741 26.921 459 HE1 PHE 66 HE2 PHE 66 26.440 -5.594 24.412 460 HE2 PHE 66 HE1 PHE 66 27.774 -8.452 27.280 461 HZ PHE 66 HZ PHE 66 25.945 -7.379 26.029 462 H TYR 67 H TYR 67 32.334 -4.269 23.021 463 HA TYR 67 HA TYR 67 35.268 -4.750 23.124 464 HB2 TYR 67 HB2 TYR 67 33.675 -2.868 21.313 465 HB3 TYR 67 HB3 TYR 67 35.428 -3.043 21.297 466 HD1 TYR 67 HD2 TYR 67 36.437 -5.228 20.536 467 HD2 TYR 67 HD1 TYR 67 32.261 -4.447 20.106 468 HE1 TYR 67 HE2 TYR 67 36.254 -7.060 18.929 469 HE2 TYR 67 HE1 TYR 67 32.085 -6.301 18.499 470 HH TYR 67 HH TYR 67 34.613 -8.566 18.033 471 H SER 68 H SER 68 33.339 -3.738 25.230 472 HA SER 68 HA SER 68 34.833 -1.459 26.154 473 HB2 SER 68 HB2 SER 68 33.184 -0.476 24.465 474 HB3 SER 68 HB3 SER 68 31.877 -0.995 25.528 475 HG SER 68 HG SER 68 33.798 1.002 25.881 476 H SER 69 H SER 69 34.616 -1.169 28.352 477 HA SER 69 HA SER 69 33.606 -3.318 29.904 478 HB2 SER 69 HB2 SER 69 35.661 -2.091 30.518 479 HB3 SER 69 HB3 SER 69 34.707 -0.641 30.831 480 HG SER 69 HG SER 69 33.968 -2.987 32.160 481 HA PRO 70 HA PRO 70 30.039 -0.173 31.246 482 HB2 PRO 70 HB2 PRO 70 29.240 1.524 29.181 483 HB3 PRO 70 HB3 PRO 70 30.234 2.020 30.560 484 HG2 PRO 70 HG2 PRO 70 31.100 1.211 27.786 485 HG3 PRO 70 HG3 PRO 70 31.670 2.563 28.792 486 HD2 PRO 70 HD2 PRO 70 33.114 0.303 28.580 487 HD3 PRO 70 HD3 PRO 70 33.008 1.162 30.130 488 H GLY 71 H GLY 71 30.602 -1.202 27.878 489 HA2 GLY 71 HA2 GLY 71 27.978 -2.033 27.216 490 HA3 GLY 71 HA3 GLY 71 29.453 -2.623 26.479 491 H LEU 72 H LEU 72 30.688 -3.773 28.633 492 HA LEU 72 HA LEU 72 29.644 -6.329 29.013 493 HB2 LEU 72 HB2 LEU 72 31.979 -5.758 29.434 494 HB3 LEU 72 HB3 LEU 72 31.526 -4.641 30.704 495 HG LEU 72 HG LEU 72 30.735 -6.594 32.086 496 HD11 LEU 72 HD11 LEU 72 31.452 -8.859 31.476 497 HD12 LEU 72 HD12 LEU 72 32.016 -8.269 29.910 498 HD13 LEU 72 HD13 LEU 72 30.298 -8.211 30.312 499 HD21 LEU 72 HD21 LEU 72 32.990 -7.368 32.716 500 HD22 LEU 72 HD22 LEU 72 32.951 -5.625 32.469 501 HD23 LEU 72 HD23 LEU 72 33.647 -6.673 31.228 502 H THR 73 H THR 73 29.536 -3.526 31.188 503 HA THR 73 HA THR 73 27.990 -4.591 33.272 504 HB THR 73 HB THR 73 28.250 -1.674 32.397 505 HG1 THR 73 HG1 THR 73 30.107 -1.626 33.556 506 HG21 THR 73 HG21 THR 73 27.884 -1.119 34.774 507 HG22 THR 73 HG22 THR 73 27.634 -2.826 35.149 508 HG23 THR 73 HG23 THR 73 26.492 -1.969 34.110 509 H ARG 74 H ARG 74 27.035 -2.975 30.247 510 HA ARG 74 HA ARG 74 24.343 -2.402 30.962 511 HB2 ARG 74 HB2 ARG 74 25.770 -2.489 28.290 512 HB3 ARG 74 HB3 ARG 74 24.042 -2.159 28.385 513 HG2 ARG 74 HG2 ARG 74 24.538 -0.204 29.863 514 HG3 ARG 74 HG3 ARG 74 26.259 -0.514 29.643 515 HD2 ARG 74 HD2 ARG 74 24.306 0.145 27.418 516 HD3 ARG 74 HD3 ARG 74 25.413 1.295 28.172 517 HE ARG 74 HE ARG 74 26.640 -1.064 26.970 518 HH11 ARG 74 HH11 ARG 74 25.701 2.288 26.523 519 HH12 ARG 74 HH12 ARG 74 26.806 2.553 25.216 520 HH21 ARG 74 HH21 ARG 74 28.086 -0.704 25.225 521 HH22 ARG 74 HH22 ARG 74 28.143 0.861 24.476 522 H HIS 75 H HIS 75 25.786 -5.367 29.712 523 HA HIS 75 HA HIS 75 23.241 -6.524 29.017 524 HB2 HIS 75 HB2 HIS 75 25.814 -7.389 28.532 525 HB3 HIS 75 HB3 HIS 75 25.386 -8.449 29.868 526 HD2 HIS 75 HD2 HIS 75 23.964 -7.488 26.327 527 HE1 HIS 75 HE1 HIS 75 22.493 -11.305 27.320 528 HE2 HIS 75 HE2 HIS 75 22.392 -9.422 25.667 529 H ILE 76 H ILE 76 25.393 -6.756 31.808 530 HA ILE 76 HA ILE 76 24.014 -8.504 33.464 531 HB ILE 76 HB ILE 76 25.783 -6.142 34.243 532 HG12 ILE 76 HG12 ILE 76 26.627 -9.049 33.795 533 HG13 ILE 76 HG13 ILE 76 26.784 -7.791 32.576 534 HG21 ILE 76 HG21 ILE 76 25.137 -8.637 35.861 535 HG22 ILE 76 HG22 ILE 76 24.600 -6.996 36.222 536 HG23 ILE 76 HG23 ILE 76 26.314 -7.399 36.313 537 HD11 ILE 76 HD11 ILE 76 28.178 -7.837 35.254 538 HD12 ILE 76 HD12 ILE 76 28.348 -6.585 34.018 539 HD13 ILE 76 HD13 ILE 76 28.887 -8.231 33.688 540 H ASN 77 H ASN 77 23.608 -5.001 33.089 541 HA ASN 77 HA ASN 77 21.606 -4.770 35.188 542 HB2 ASN 77 HB2 ASN 77 22.843 -2.800 33.244 543 HB3 ASN 77 HB3 ASN 77 21.485 -2.347 34.267 544 HD21 ASN 77 HD21 ASN 77 24.821 -3.446 34.322 545 HD22 ASN 77 HD22 ASN 77 25.204 -2.830 35.879 546 H LYS 78 H LYS 78 21.590 -4.412 31.585 547 HA LYS 78 HA LYS 78 18.688 -3.995 31.632 548 HB2 LYS 78 HB2 LYS 78 20.044 -2.486 30.259 549 HB3 LYS 78 HB3 LYS 78 20.700 -3.853 29.364 550 HG2 LYS 78 HG2 LYS 78 18.246 -4.342 28.684 551 HG3 LYS 78 HG3 LYS 78 17.902 -2.712 29.266 552 HD2 LYS 78 HD2 LYS 78 19.486 -1.777 27.637 553 HD3 LYS 78 HD3 LYS 78 19.931 -3.403 27.109 554 HE2 LYS 78 HE2 LYS 78 17.514 -3.747 26.432 555 HE3 LYS 78 HE3 LYS 78 17.244 -2.033 26.758 556 HZ1 LYS 78 HZ1 LYS 78 18.915 -1.512 25.070 557 HZ2 LYS 78 HZ2 LYS 78 17.659 -2.435 24.420 558 HZ3 LYS 78 HZ3 LYS 78 19.143 -3.160 24.765 559 H CYS 79 H CYS 79 20.933 -6.136 29.798 560 HA CYS 79 HA CYS 79 18.597 -7.624 28.768 561 HB2 CYS 79 HB2 CYS 79 20.062 -6.468 27.134 562 HB3 CYS 79 HB3 CYS 79 21.434 -7.426 27.682 563 HG CYS 79 HG CYS 79 18.989 -9.439 26.811 564 H HIS 80 H HIS 80 20.471 -8.006 31.293 565 HA HIS 80 HA HIS 80 20.153 -10.915 31.292 566 HB2 HIS 80 HB2 HIS 80 22.685 -9.975 30.792 567 HB3 HIS 80 HB3 HIS 80 22.706 -9.857 32.548 568 HD2 HIS 80 HD2 HIS 80 21.237 -12.722 33.218 569 HE1 HIS 80 HE1 HIS 80 24.458 -14.342 31.019 570 HE2 HIS 80 HE2 HIS 80 22.733 -14.780 32.799 571 HA PRO 81 HA PRO 81 18.407 -7.771 34.464 572 HB2 PRO 81 HB2 PRO 81 16.113 -9.373 35.040 573 HB3 PRO 81 HB3 PRO 81 16.204 -7.976 33.967 574 HG2 PRO 81 HG2 PRO 81 16.356 -10.897 33.298 575 HG3 PRO 81 HG3 PRO 81 15.623 -9.560 32.382 576 HD2 PRO 81 HD2 PRO 81 17.970 -10.620 31.635 577 HD3 PRO 81 HD3 PRO 81 17.689 -8.870 31.505 578 H SER 82 H SER 82 17.801 -11.222 35.196 579 HA SER 82 HA SER 82 19.081 -10.837 37.829 580 HB2 SER 82 HB2 SER 82 16.591 -12.503 37.275 581 HB3 SER 82 HB3 SER 82 17.391 -12.312 38.838 582 HG SER 82 HG SER 82 16.301 -10.165 37.323 583 H GLU 83 H GLU 83 20.998 -11.612 36.802 584 HA GLU 83 HA GLU 83 21.204 -14.406 36.055 585 HB2 GLU 83 HB2 GLU 83 23.806 -13.795 36.400 586 HB3 GLU 83 HB3 GLU 83 22.927 -13.323 34.955 587 HG2 GLU 83 HG2 GLU 83 22.638 -11.061 35.794 588 HG3 GLU 83 HG3 GLU 83 23.355 -11.501 37.338 589 H ASN 84 H ASN 84 19.941 -14.895 38.034 590 HA ASN 84 HA ASN 84 21.417 -14.993 40.573 591 HB2 ASN 84 HB2 ASN 84 18.494 -15.522 39.886 592 HB3 ASN 84 HB3 ASN 84 19.175 -15.769 41.488 593 HD21 ASN 84 HD21 ASN 84 17.774 -14.271 42.394 594 HD22 ASN 84 HD22 ASN 84 17.941 -12.570 42.152 595 H ARG 85 H ARG 85 22.879 -16.629 40.129 596 HA ARG 85 HA ARG 85 21.845 -19.362 40.124 597 HB2 ARG 85 HB2 ARG 85 23.648 -19.944 38.339 598 HB3 ARG 85 HB3 ARG 85 22.128 -19.255 37.815 599 HG2 ARG 85 HG2 ARG 85 23.221 -17.647 36.687 600 HG3 ARG 85 HG3 ARG 85 23.921 -17.049 38.185 601 HD2 ARG 85 HD2 ARG 85 25.161 -19.349 36.643 602 HD3 ARG 85 HD3 ARG 85 25.537 -17.664 36.272 603 HE ARG 85 HE ARG 85 25.984 -17.852 38.951 604 HH11 ARG 85 HH11 ARG 85 27.197 -19.794 36.259 605 HH12 ARG 85 HH12 ARG 85 28.751 -20.037 36.996 606 HH21 ARG 85 HH21 ARG 85 28.031 -18.159 39.865 607 HH22 ARG 85 HH22 ARG 85 29.217 -19.122 39.040 Start of MODEL 5 1 H1 MET 1 H1 MET 1 68.394 -15.224 49.901 2 H2 MET 1 H2 MET 1 68.967 -13.785 49.229 3 H3 MET 1 H3 MET 1 67.529 -13.791 50.118 4 HA MET 1 HA MET 1 69.334 -12.856 51.383 5 HB2 MET 1 HB2 MET 1 68.383 -15.576 52.392 6 HB3 MET 1 HB3 MET 1 69.161 -14.364 53.405 7 HG2 MET 1 HG2 MET 1 67.302 -12.808 53.000 8 HG3 MET 1 HG3 MET 1 66.518 -14.003 51.962 9 HE1 MET 1 HE1 MET 1 65.476 -16.296 52.877 10 HE2 MET 1 HE2 MET 1 65.566 -16.800 54.564 11 HE3 MET 1 HE3 MET 1 67.029 -16.748 53.584 12 H GLY 2 H GLY 2 71.389 -12.747 50.622 13 HA2 GLY 2 HA2 GLY 2 73.230 -14.984 51.147 14 HA3 GLY 2 HA3 GLY 2 73.213 -14.254 49.543 15 H HIS 3 H HIS 3 75.477 -14.308 51.194 16 HA HIS 3 HA HIS 3 75.982 -11.441 51.634 17 HB2 HIS 3 HB2 HIS 3 75.388 -12.504 53.860 18 HB3 HIS 3 HB3 HIS 3 76.740 -13.611 53.661 19 HD1 HIS 3 HD1 HIS 3 75.995 -9.952 54.237 20 HD2 HIS 3 HD2 HIS 3 79.200 -12.583 54.459 21 HE1 HIS 3 HE1 HIS 3 77.853 -8.658 55.311 22 HE2 HIS 3 HE2 HIS 3 79.761 -10.289 55.490 23 H HIS 4 H HIS 4 76.921 -11.799 49.539 24 HA HIS 4 HA HIS 4 79.779 -12.278 49.682 25 HB2 HIS 4 HB2 HIS 4 77.989 -13.956 47.869 26 HB3 HIS 4 HB3 HIS 4 79.663 -13.634 47.437 27 HD1 HIS 4 HD1 HIS 4 77.674 -16.103 49.081 28 HD2 HIS 4 HD2 HIS 4 81.478 -14.556 49.684 29 HE1 HIS 4 HE1 HIS 4 78.863 -17.779 50.507 30 HE2 HIS 4 HE2 HIS 4 81.208 -16.899 50.722 31 H HIS 5 H HIS 5 80.899 -11.044 48.134 32 HA HIS 5 HA HIS 5 79.309 -9.072 46.604 33 HB2 HIS 5 HB2 HIS 5 82.229 -9.051 47.489 34 HB3 HIS 5 HB3 HIS 5 81.538 -7.845 46.413 35 HD1 HIS 5 HD1 HIS 5 80.763 -5.795 47.548 36 HD2 HIS 5 HD2 HIS 5 80.795 -9.046 50.125 37 HE1 HIS 5 HE1 HIS 5 80.175 -4.868 49.799 38 HE2 HIS 5 HE2 HIS 5 80.129 -6.865 51.327 39 H HIS 6 H HIS 6 78.792 -10.431 44.828 40 HA HIS 6 HA HIS 6 80.883 -10.442 42.774 41 HB2 HIS 6 HB2 HIS 6 79.289 -12.930 43.511 42 HB3 HIS 6 HB3 HIS 6 80.009 -12.725 41.919 43 HD1 HIS 6 HD1 HIS 6 80.701 -14.504 44.806 44 HD2 HIS 6 HD2 HIS 6 83.022 -11.958 42.486 45 HE1 HIS 6 HE1 HIS 6 83.076 -15.098 45.316 46 HE2 HIS 6 HE2 HIS 6 84.453 -13.688 43.752 47 H HIS 7 H HIS 7 79.846 -8.699 41.916 48 HA HIS 7 HA HIS 7 77.338 -9.234 40.452 49 HB2 HIS 7 HB2 HIS 7 76.791 -7.803 42.410 50 HB3 HIS 7 HB3 HIS 7 78.017 -6.644 41.919 51 HD1 HIS 7 HD1 HIS 7 77.435 -5.044 39.994 52 HD2 HIS 7 HD2 HIS 7 74.394 -7.729 40.886 53 HE1 HIS 7 HE1 HIS 7 75.416 -4.190 38.784 54 HE2 HIS 7 HE2 HIS 7 73.649 -5.934 39.180 55 H HIS 8 H HIS 8 78.601 -9.728 38.670 56 HA HIS 8 HA HIS 8 79.480 -7.484 37.047 57 HB2 HIS 8 HB2 HIS 8 81.622 -7.962 38.058 58 HB3 HIS 8 HB3 HIS 8 81.385 -9.701 37.924 59 HD1 HIS 8 HD1 HIS 8 82.617 -10.752 36.042 60 HD2 HIS 8 HD2 HIS 8 81.865 -6.730 35.312 61 HE1 HIS 8 HE1 HIS 8 83.719 -10.245 33.848 62 HE2 HIS 8 HE2 HIS 8 83.305 -7.797 33.452 63 H SER 9 H SER 9 79.093 -7.872 34.888 64 HA SER 9 HA SER 9 77.545 -10.235 34.252 65 HB2 SER 9 HB2 SER 9 77.179 -8.959 32.062 66 HB3 SER 9 HB3 SER 9 76.615 -8.162 33.528 67 HG SER 9 HG SER 9 77.729 -6.693 32.236 68 H HIS 10 H HIS 10 78.489 -12.031 33.508 69 HA HIS 10 HA HIS 10 80.752 -11.922 31.622 70 HB2 HIS 10 HB2 HIS 10 79.388 -14.201 33.108 71 HB3 HIS 10 HB3 HIS 10 80.521 -14.503 31.794 72 HD1 HIS 10 HD1 HIS 10 80.754 -15.008 35.072 73 HD2 HIS 10 HD2 HIS 10 82.867 -12.371 32.670 74 HE1 HIS 10 HE1 HIS 10 82.922 -14.605 36.259 75 HE2 HIS 10 HE2 HIS 10 84.253 -13.149 34.694 76 H MET 11 H MET 11 77.397 -11.861 31.601 77 HA MET 11 HA MET 11 77.256 -12.664 28.749 78 HB2 MET 11 HB2 MET 11 75.011 -12.772 30.831 79 HB3 MET 11 HB3 MET 11 74.829 -13.159 29.125 80 HG2 MET 11 HG2 MET 11 76.377 -15.064 29.416 81 HG3 MET 11 HG3 MET 11 76.498 -14.685 31.136 82 HE1 MET 11 HE1 MET 11 74.287 -17.933 31.210 83 HE2 MET 11 HE2 MET 11 75.724 -17.149 31.865 84 HE3 MET 11 HE3 MET 11 75.662 -17.596 30.158 85 H GLY 12 H GLY 12 76.686 -11.056 27.391 86 HA2 GLY 12 HA2 GLY 12 75.284 -8.625 28.398 87 HA3 GLY 12 HA3 GLY 12 76.671 -8.522 27.313 88 H ASP 13 H ASP 13 73.765 -7.766 27.019 89 HA ASP 13 HA ASP 13 72.464 -9.512 25.213 90 HB2 ASP 13 HB2 ASP 13 72.121 -6.510 25.658 91 HB3 ASP 13 HB3 ASP 13 71.059 -7.472 24.631 92 H GLY 14 H GLY 14 72.360 -9.586 23.009 93 HA2 GLY 14 HA2 GLY 14 74.556 -8.502 21.447 94 HA3 GLY 14 HA3 GLY 14 73.297 -9.599 20.900 95 H GLU 15 H GLU 15 72.142 -8.716 19.305 96 HA GLU 15 HA GLU 15 70.755 -6.245 19.542 97 HB2 GLU 15 HB2 GLU 15 73.053 -5.371 19.070 98 HB3 GLU 15 HB3 GLU 15 73.092 -6.291 17.570 99 HG2 GLU 15 HG2 GLU 15 71.297 -4.937 16.635 100 HG3 GLU 15 HG3 GLU 15 71.100 -4.078 18.166 101 H GLY 16 H GLY 16 69.129 -6.091 18.014 102 HA2 GLY 16 HA2 GLY 16 68.980 -8.062 15.813 103 HA3 GLY 16 HA3 GLY 16 67.679 -7.970 16.994 104 H ALA 17 H ALA 17 69.167 -6.467 14.261 105 HA ALA 17 HA ALA 17 67.305 -4.175 14.295 106 HB1 ALA 17 HB1 ALA 17 68.798 -3.165 12.627 107 HB2 ALA 17 HB2 ALA 17 69.787 -4.624 12.598 108 HB3 ALA 17 HB3 ALA 17 69.710 -3.643 14.061 109 H GLY 18 H GLY 18 65.403 -5.141 13.562 110 HA2 GLY 18 HA2 GLY 18 64.933 -5.240 10.804 111 HA3 GLY 18 HA3 GLY 18 65.173 -6.896 11.346 112 H VAL 19 H VAL 19 62.793 -5.182 10.392 113 HA VAL 19 HA VAL 19 60.810 -6.203 12.338 114 HB VAL 19 HB VAL 19 59.335 -4.216 11.720 115 HG11 VAL 19 HG11 VAL 19 60.396 -2.593 13.247 116 HG12 VAL 19 HG12 VAL 19 61.912 -3.493 13.156 117 HG13 VAL 19 HG13 VAL 19 60.484 -4.240 13.874 118 HG21 VAL 19 HG21 VAL 19 61.884 -3.043 10.519 119 HG22 VAL 19 HG22 VAL 19 60.362 -2.179 10.746 120 HG23 VAL 19 HG23 VAL 19 60.443 -3.534 9.624 121 H LEU 20 H LEU 20 58.502 -5.760 10.896 122 HA LEU 20 HA LEU 20 58.947 -6.651 8.121 123 HB2 LEU 20 HB2 LEU 20 57.179 -8.335 8.251 124 HB3 LEU 20 HB3 LEU 20 58.444 -8.670 9.412 125 HG LEU 20 HG LEU 20 56.741 -7.436 11.102 126 HD11 LEU 20 HD11 LEU 20 54.823 -8.580 9.043 127 HD12 LEU 20 HD12 LEU 20 55.023 -6.874 9.451 128 HD13 LEU 20 HD13 LEU 20 54.396 -7.995 10.654 129 HD21 LEU 20 HD21 LEU 20 56.436 -10.334 10.254 130 HD22 LEU 20 HD22 LEU 20 55.878 -9.639 11.777 131 HD23 LEU 20 HD23 LEU 20 57.601 -9.699 11.421 132 H GLY 21 H GLY 21 57.595 -5.755 6.649 133 HA2 GLY 21 HA2 GLY 21 55.195 -4.263 7.433 134 HA3 GLY 21 HA3 GLY 21 56.512 -3.335 6.712 135 H LEU 22 H LEU 22 55.565 -6.633 5.958 136 HA LEU 22 HA LEU 22 55.586 -6.126 3.121 137 HB2 LEU 22 HB2 LEU 22 55.004 -8.645 4.732 138 HB3 LEU 22 HB3 LEU 22 54.976 -8.595 2.978 139 HG LEU 22 HG LEU 22 57.421 -7.913 3.022 140 HD11 LEU 22 HD11 LEU 22 57.623 -7.049 5.299 141 HD12 LEU 22 HD12 LEU 22 58.765 -8.364 5.041 142 HD13 LEU 22 HD13 LEU 22 57.289 -8.651 5.965 143 HD21 LEU 22 HD21 LEU 22 56.744 -10.207 2.506 144 HD22 LEU 22 HD22 LEU 22 56.732 -10.618 4.222 145 HD23 LEU 22 HD23 LEU 22 58.250 -10.205 3.421 146 H SER 23 H SER 23 53.155 -6.490 5.596 147 HA SER 23 HA SER 23 50.962 -7.408 4.120 148 HB2 SER 23 HB2 SER 23 50.952 -5.686 6.630 149 HB3 SER 23 HB3 SER 23 49.614 -6.685 6.050 150 HG SER 23 HG SER 23 50.807 -7.772 7.638 151 H ALA 24 H ALA 24 50.196 -6.427 2.340 152 HA ALA 24 HA ALA 24 50.251 -3.668 1.724 153 HB1 ALA 24 HB1 ALA 24 48.768 -4.242 -0.147 154 HB2 ALA 24 HB2 ALA 24 48.436 -5.818 0.580 155 HB3 ALA 24 HB3 ALA 24 50.062 -5.428 0.018 156 H SER 25 H SER 25 47.816 -5.709 3.200 157 HA SER 25 HA SER 25 46.030 -5.392 4.499 158 HB2 SER 25 HB2 SER 25 47.027 -2.524 4.805 159 HB3 SER 25 HB3 SER 25 45.910 -3.360 5.893 160 HG SER 25 HG SER 25 48.659 -3.548 5.685 161 H ALA 26 H ALA 26 44.505 -5.738 2.920 162 HA ALA 26 HA ALA 26 43.480 -3.673 1.174 163 HB1 ALA 26 HB1 ALA 26 41.874 -5.407 0.453 164 HB2 ALA 26 HB2 ALA 26 42.409 -6.461 1.764 165 HB3 ALA 26 HB3 ALA 26 43.525 -6.032 0.466 166 H GLU 27 H GLU 27 41.085 -3.178 1.139 167 HA GLU 27 HA GLU 27 40.237 -2.072 3.636 168 HB2 GLU 27 HB2 GLU 27 39.732 -0.985 1.451 169 HB3 GLU 27 HB3 GLU 27 38.686 -2.338 1.018 170 HG2 GLU 27 HG2 GLU 27 37.244 -1.798 3.003 171 HG3 GLU 27 HG3 GLU 27 38.238 -0.373 3.297 172 H CYS 28 H CYS 28 40.018 -3.795 5.057 173 HA CYS 28 HA CYS 28 37.604 -5.464 4.848 174 HB2 CYS 28 HB2 CYS 28 40.385 -6.554 5.501 175 HB3 CYS 28 HB3 CYS 28 38.888 -7.478 5.567 176 HG CYS 28 HG CYS 28 39.459 -6.087 2.577 177 H HIS 29 H HIS 29 37.531 -6.751 7.092 178 HA HIS 29 HA HIS 29 37.289 -4.870 9.200 179 HB2 HIS 29 HB2 HIS 29 37.318 -7.925 9.357 180 HB3 HIS 29 HB3 HIS 29 36.811 -6.844 10.657 181 HD1 HIS 29 HD1 HIS 29 34.515 -5.610 10.345 182 HD2 HIS 29 HD2 HIS 29 35.400 -8.360 7.354 183 HE1 HIS 29 HE1 HIS 29 32.374 -5.963 9.094 184 HE2 HIS 29 HE2 HIS 29 32.958 -7.531 7.219 185 H LEU 30 H LEU 30 38.907 -4.001 10.315 186 HA LEU 30 HA LEU 30 41.481 -5.425 10.644 187 HB2 LEU 30 HB2 LEU 30 40.815 -2.481 11.024 188 HB3 LEU 30 HB3 LEU 30 42.409 -3.193 11.214 189 HG LEU 30 HG LEU 30 40.853 -2.963 8.597 190 HD11 LEU 30 HD11 LEU 30 41.774 -0.806 9.339 191 HD12 LEU 30 HD12 LEU 30 42.611 -1.389 7.905 192 HD13 LEU 30 HD13 LEU 30 43.381 -1.529 9.487 193 HD21 LEU 30 HD21 LEU 30 42.179 -5.039 8.595 194 HD22 LEU 30 HD22 LEU 30 43.626 -4.135 9.048 195 HD23 LEU 30 HD23 LEU 30 42.865 -3.858 7.481 196 H CYS 31 H CYS 31 41.724 -6.424 12.547 197 HA CYS 31 HA CYS 31 40.303 -6.081 14.945 198 HB2 CYS 31 HB2 CYS 31 41.610 -8.088 14.519 199 HB3 CYS 31 HB3 CYS 31 43.085 -7.169 14.336 200 HA PRO 32 HA PRO 32 41.635 -1.725 15.633 201 HB2 PRO 32 HB2 PRO 32 40.578 -2.478 18.379 202 HB3 PRO 32 HB3 PRO 32 40.330 -0.984 17.460 203 HG2 PRO 32 HG2 PRO 32 38.420 -2.824 17.508 204 HG3 PRO 32 HG3 PRO 32 38.806 -2.006 15.975 205 HD2 PRO 32 HD2 PRO 32 39.502 -4.778 16.872 206 HD3 PRO 32 HD3 PRO 32 39.122 -4.192 15.249 207 H VAL 33 H VAL 33 42.699 -4.411 17.623 208 HA VAL 33 HA VAL 33 44.656 -2.820 19.115 209 HB VAL 33 HB VAL 33 44.155 -5.803 19.434 210 HG11 VAL 33 HG11 VAL 33 46.120 -4.915 20.608 211 HG12 VAL 33 HG12 VAL 33 44.887 -5.409 21.767 212 HG13 VAL 33 HG13 VAL 33 45.124 -3.696 21.409 213 HG21 VAL 33 HG21 VAL 33 41.945 -4.722 19.545 214 HG22 VAL 33 HG22 VAL 33 42.538 -3.587 20.759 215 HG23 VAL 33 HG23 VAL 33 42.428 -5.309 21.138 216 H CYS 34 H CYS 34 44.556 -4.984 16.375 217 HA CYS 34 HA CYS 34 47.383 -4.517 15.880 218 HB2 CYS 34 HB2 CYS 34 48.110 -6.758 15.641 219 HB3 CYS 34 HB3 CYS 34 47.161 -6.799 17.120 220 H GLY 35 H GLY 35 47.545 -3.873 13.802 221 HA2 GLY 35 HA2 GLY 35 45.387 -3.826 11.991 222 HA3 GLY 35 HA3 GLY 35 47.069 -3.470 11.605 223 H GLU 36 H GLU 36 44.537 -5.572 11.073 224 HA GLU 36 HA GLU 36 46.030 -7.236 9.279 225 HB2 GLU 36 HB2 GLU 36 46.538 -8.360 11.468 226 HB3 GLU 36 HB3 GLU 36 44.817 -8.619 11.724 227 HG2 GLU 36 HG2 GLU 36 44.681 -10.172 9.887 228 HG3 GLU 36 HG3 GLU 36 46.293 -9.735 9.314 229 H SER 37 H SER 37 44.700 -7.874 7.664 230 HA SER 37 HA SER 37 41.983 -6.842 7.694 231 HB2 SER 37 HB2 SER 37 42.108 -7.386 5.214 232 HB3 SER 37 HB3 SER 37 43.353 -6.281 5.786 233 HG SER 37 HG SER 37 44.141 -8.893 5.936 234 H PHE 38 H PHE 38 40.146 -8.029 7.795 235 HA PHE 38 HA PHE 38 40.189 -10.962 7.363 236 HB2 PHE 38 HB2 PHE 38 38.531 -9.563 9.531 237 HB3 PHE 38 HB3 PHE 38 38.663 -11.296 9.253 238 HD1 PHE 38 HD2 PHE 38 41.119 -12.285 9.445 239 HD2 PHE 38 HD1 PHE 38 39.846 -8.601 11.202 240 HE1 PHE 38 HE2 PHE 38 42.977 -12.393 11.044 241 HE2 PHE 38 HE1 PHE 38 41.710 -8.719 12.787 242 HZ PHE 38 HZ PHE 38 43.275 -10.610 12.715 243 H ALA 39 H ALA 39 38.742 -11.458 5.772 244 HA ALA 39 HA ALA 39 36.346 -9.816 5.314 245 HB1 ALA 39 HB1 ALA 39 37.331 -12.316 3.889 246 HB2 ALA 39 HB2 ALA 39 37.575 -10.654 3.352 247 HB3 ALA 39 HB3 ALA 39 35.948 -11.331 3.403 248 H SER 40 H SER 40 37.378 -12.687 6.924 249 HA SER 40 HA SER 40 34.711 -13.794 7.350 250 HB2 SER 40 HB2 SER 40 37.425 -14.707 8.410 251 HB3 SER 40 HB3 SER 40 35.919 -15.629 8.463 252 HG SER 40 HG SER 40 36.238 -14.962 5.956 253 H LYS 41 H LYS 41 33.485 -13.185 9.054 254 HA LYS 41 HA LYS 41 34.179 -11.219 10.924 255 HB2 LYS 41 HB2 LYS 41 31.858 -11.578 10.324 256 HB3 LYS 41 HB3 LYS 41 31.895 -13.236 10.924 257 HG2 LYS 41 HG2 LYS 41 32.182 -12.413 13.234 258 HG3 LYS 41 HG3 LYS 41 32.195 -10.747 12.654 259 HD2 LYS 41 HD2 LYS 41 29.860 -10.922 11.961 260 HD3 LYS 41 HD3 LYS 41 29.833 -12.645 12.347 261 HE2 LYS 41 HE2 LYS 41 28.728 -11.275 14.093 262 HE3 LYS 41 HE3 LYS 41 30.121 -12.153 14.725 263 HZ1 LYS 41 HZ1 LYS 41 31.427 -10.106 14.541 264 HZ2 LYS 41 HZ2 LYS 41 30.083 -9.881 15.533 265 HZ3 LYS 41 HZ3 LYS 41 30.071 -9.284 13.959 266 H GLY 42 H GLY 42 34.007 -14.738 11.280 267 HA2 GLY 42 HA2 GLY 42 34.326 -15.039 14.019 268 HA3 GLY 42 HA3 GLY 42 34.781 -16.231 12.817 269 H ALA 43 H ALA 43 36.816 -14.670 11.537 270 HA ALA 43 HA ALA 43 39.099 -15.167 13.184 271 HB1 ALA 43 HB1 ALA 43 40.376 -14.175 11.320 272 HB2 ALA 43 HB2 ALA 43 38.881 -13.589 10.590 273 HB3 ALA 43 HB3 ALA 43 39.166 -15.321 10.725 274 H GLN 44 H GLN 44 37.298 -12.255 12.296 275 HA GLN 44 HA GLN 44 38.925 -10.314 13.598 276 HB2 GLN 44 HB2 GLN 44 37.353 -9.631 11.876 277 HB3 GLN 44 HB3 GLN 44 35.993 -10.302 12.765 278 HG2 GLN 44 HG2 GLN 44 35.891 -7.914 12.931 279 HG3 GLN 44 HG3 GLN 44 36.322 -8.541 14.516 280 HE21 GLN 44 HE21 GLN 44 36.683 -5.866 13.402 281 HE22 GLN 44 HE22 GLN 44 38.370 -5.522 13.513 282 H GLU 45 H GLU 45 36.099 -12.177 14.655 283 HA GLU 45 HA GLU 45 35.647 -10.926 17.144 284 HB2 GLU 45 HB2 GLU 45 34.965 -13.787 16.345 285 HB3 GLU 45 HB3 GLU 45 34.291 -12.923 17.722 286 HG2 GLU 45 HG2 GLU 45 33.858 -12.324 14.791 287 HG3 GLU 45 HG3 GLU 45 32.688 -12.997 15.920 288 H ARG 46 H ARG 46 37.268 -14.006 16.325 289 HA ARG 46 HA ARG 46 38.043 -14.659 18.981 290 HB2 ARG 46 HB2 ARG 46 39.289 -16.492 18.042 291 HB3 ARG 46 HB3 ARG 46 37.803 -16.325 17.117 292 HG2 ARG 46 HG2 ARG 46 39.106 -15.096 15.359 293 HG3 ARG 46 HG3 ARG 46 40.581 -15.444 16.261 294 HD2 ARG 46 HD2 ARG 46 40.314 -17.050 14.446 295 HD3 ARG 46 HD3 ARG 46 40.137 -17.876 15.995 296 HE ARG 46 HE ARG 46 37.588 -17.388 15.478 297 HH11 ARG 46 HH11 ARG 46 40.004 -18.511 13.194 298 HH12 ARG 46 HH12 ARG 46 38.869 -19.449 12.281 299 HH21 ARG 46 HH21 ARG 46 36.122 -18.624 14.278 300 HH22 ARG 46 HH22 ARG 46 36.675 -19.527 12.904 301 H HIS 47 H HIS 47 39.558 -12.658 16.534 302 HA HIS 47 HA HIS 47 42.141 -12.561 17.734 303 HB2 HIS 47 HB2 HIS 47 40.840 -11.199 15.491 304 HB3 HIS 47 HB3 HIS 47 41.709 -10.011 16.454 305 HD2 HIS 47 HD2 HIS 47 42.382 -13.112 14.229 306 HE1 HIS 47 HE1 HIS 47 46.096 -11.422 15.275 307 HE2 HIS 47 HE2 HIS 47 44.893 -12.939 13.659 308 H LEU 48 H LEU 48 39.198 -10.641 18.139 309 HA LEU 48 HA LEU 48 40.446 -8.824 19.992 310 HB2 LEU 48 HB2 LEU 48 37.558 -9.178 19.135 311 HB3 LEU 48 HB3 LEU 48 38.089 -7.935 20.263 312 HG LEU 48 HG LEU 48 38.920 -8.187 17.334 313 HD11 LEU 48 HD11 LEU 48 37.803 -5.996 17.061 314 HD12 LEU 48 HD12 LEU 48 37.262 -6.067 18.737 315 HD13 LEU 48 HD13 LEU 48 36.674 -7.253 17.569 316 HD21 LEU 48 HD21 LEU 48 40.272 -6.170 17.654 317 HD22 LEU 48 HD22 LEU 48 40.841 -7.435 18.727 318 HD23 LEU 48 HD23 LEU 48 39.857 -6.119 19.367 319 H ARG 49 H ARG 49 37.760 -11.190 20.425 320 HA ARG 49 HA ARG 49 37.630 -10.783 23.204 321 HB2 ARG 49 HB2 ARG 49 36.066 -12.639 23.285 322 HB3 ARG 49 HB3 ARG 49 35.723 -11.599 21.911 323 HG2 ARG 49 HG2 ARG 49 36.690 -13.217 20.371 324 HG3 ARG 49 HG3 ARG 49 37.227 -14.226 21.715 325 HD2 ARG 49 HD2 ARG 49 34.346 -13.633 20.968 326 HD3 ARG 49 HD3 ARG 49 35.197 -15.161 20.702 327 HE ARG 49 HE ARG 49 34.505 -14.004 23.339 328 HH11 ARG 49 HH11 ARG 49 35.188 -16.835 21.401 329 HH12 ARG 49 HH12 ARG 49 34.892 -17.941 22.704 330 HH21 ARG 49 HH21 ARG 49 34.123 -15.451 25.023 331 HH22 ARG 49 HH22 ARG 49 34.298 -17.156 24.752 332 H LEU 50 H LEU 50 39.793 -12.813 21.422 333 HA LEU 50 HA LEU 50 40.532 -14.323 23.878 334 HB2 LEU 50 HB2 LEU 50 41.070 -15.128 20.992 335 HB3 LEU 50 HB3 LEU 50 41.411 -16.089 22.422 336 HG LEU 50 HG LEU 50 38.618 -15.331 21.468 337 HD11 LEU 50 HD11 LEU 50 40.047 -17.995 21.208 338 HD12 LEU 50 HD12 LEU 50 39.693 -16.874 19.891 339 HD13 LEU 50 HD13 LEU 50 38.372 -17.664 20.751 340 HD21 LEU 50 HD21 LEU 50 39.446 -17.237 23.688 341 HD22 LEU 50 HD22 LEU 50 37.798 -16.957 23.122 342 HD23 LEU 50 HD23 LEU 50 38.689 -15.654 23.902 343 H LEU 51 H LEU 51 42.082 -13.229 20.811 344 HA LEU 51 HA LEU 51 44.725 -13.525 21.908 345 HB2 LEU 51 HB2 LEU 51 43.850 -12.327 19.246 346 HB3 LEU 51 HB3 LEU 51 45.485 -12.821 19.660 347 HG LEU 51 HG LEU 51 43.101 -14.697 19.387 348 HD11 LEU 51 HD11 LEU 51 45.448 -14.294 17.509 349 HD12 LEU 51 HD12 LEU 51 43.778 -13.806 17.211 350 HD13 LEU 51 HD13 LEU 51 44.184 -15.515 17.339 351 HD21 LEU 51 HD21 LEU 51 46.028 -15.374 19.887 352 HD22 LEU 51 HD22 LEU 51 44.739 -16.540 19.585 353 HD23 LEU 51 HD23 LEU 51 44.707 -15.557 21.046 354 H HIS 52 H HIS 52 42.532 -10.862 21.586 355 HA HIS 52 HA HIS 52 44.532 -8.870 22.378 356 HB2 HIS 52 HB2 HIS 52 43.030 -8.898 19.720 357 HB3 HIS 52 HB3 HIS 52 43.391 -7.344 20.466 358 HD2 HIS 52 HD2 HIS 52 46.243 -7.525 21.456 359 HE1 HIS 52 HE1 HIS 52 47.412 -9.464 17.936 360 HE2 HIS 52 HE2 HIS 52 48.191 -8.133 19.906 361 H ALA 53 H ALA 53 42.793 -10.009 24.004 362 HA ALA 53 HA ALA 53 40.299 -8.557 24.260 363 HB1 ALA 53 HB1 ALA 53 40.433 -10.958 24.789 364 HB2 ALA 53 HB2 ALA 53 39.896 -10.022 26.184 365 HB3 ALA 53 HB3 ALA 53 41.557 -10.614 26.105 366 H ALA 54 H ALA 54 43.338 -7.592 24.941 367 HA ALA 54 HA ALA 54 43.230 -6.560 27.571 368 HB1 ALA 54 HB1 ALA 54 45.159 -5.179 26.891 369 HB2 ALA 54 HB2 ALA 54 44.858 -5.582 25.198 370 HB3 ALA 54 HB3 ALA 54 45.339 -6.845 26.334 371 H GLN 55 H GLN 55 42.419 -5.117 24.413 372 HA GLN 55 HA GLN 55 41.676 -2.562 25.620 373 HB2 GLN 55 HB2 GLN 55 41.675 -3.419 22.696 374 HB3 GLN 55 HB3 GLN 55 41.358 -1.786 23.279 375 HG2 GLN 55 HG2 GLN 55 43.969 -3.306 23.545 376 HG3 GLN 55 HG3 GLN 55 43.637 -1.979 22.437 377 HE21 GLN 55 HE21 GLN 55 42.189 -0.355 24.423 378 HE22 GLN 55 HE22 GLN 55 43.393 0.240 25.507 379 H VAL 56 H VAL 56 40.106 -5.254 23.887 380 HA VAL 56 HA VAL 56 37.488 -3.991 23.938 381 HB VAL 56 HB VAL 56 36.641 -5.974 22.825 382 HG11 VAL 56 HG11 VAL 56 38.047 -6.011 20.794 383 HG12 VAL 56 HG12 VAL 56 39.361 -5.229 21.674 384 HG13 VAL 56 HG13 VAL 56 37.845 -4.371 21.405 385 HG21 VAL 56 HG21 VAL 56 39.337 -7.298 23.340 386 HG22 VAL 56 HG22 VAL 56 38.023 -7.977 22.379 387 HG23 VAL 56 HG23 VAL 56 37.807 -7.727 24.110 388 H PHE 57 H PHE 57 35.612 -5.400 24.789 389 HA PHE 57 HA PHE 57 36.210 -6.447 27.488 390 HB2 PHE 57 HB2 PHE 57 34.001 -4.461 26.766 391 HB3 PHE 57 HB3 PHE 57 34.254 -5.184 28.354 392 HD1 PHE 57 HD2 PHE 57 36.321 -4.621 29.668 393 HD2 PHE 57 HD1 PHE 57 35.328 -2.575 26.049 394 HE1 PHE 57 HE2 PHE 57 37.892 -2.822 30.243 395 HE2 PHE 57 HE1 PHE 57 36.913 -0.791 26.623 396 HZ PHE 57 HZ PHE 57 38.192 -0.908 28.724 397 HA PRO 58 HA PRO 58 33.393 -9.489 25.329 398 HB2 PRO 58 HB2 PRO 58 35.082 -11.571 26.566 399 HB3 PRO 58 HB3 PRO 58 34.768 -11.273 24.851 400 HG2 PRO 58 HG2 PRO 58 37.205 -10.801 26.007 401 HG3 PRO 58 HG3 PRO 58 36.597 -9.873 24.621 402 HD2 PRO 58 HD2 PRO 58 36.613 -9.119 27.544 403 HD3 PRO 58 HD3 PRO 58 37.022 -8.134 26.118 404 H CYS 59 H CYS 59 31.515 -9.657 26.460 405 HA CYS 59 HA CYS 59 31.235 -9.826 29.292 406 HB2 CYS 59 HB2 CYS 59 29.415 -8.968 27.912 407 HB3 CYS 59 HB3 CYS 59 29.319 -10.485 27.034 408 H LYS 60 H LYS 60 31.910 -11.562 30.492 409 HA LYS 60 HA LYS 60 33.609 -13.235 29.146 410 HB2 LYS 60 HB2 LYS 60 34.167 -14.251 31.327 411 HB3 LYS 60 HB3 LYS 60 34.046 -12.496 31.404 412 HG2 LYS 60 HG2 LYS 60 31.786 -12.700 32.420 413 HG3 LYS 60 HG3 LYS 60 31.920 -14.456 32.343 414 HD2 LYS 60 HD2 LYS 60 32.424 -13.741 34.607 415 HD3 LYS 60 HD3 LYS 60 33.902 -14.352 33.859 416 HE2 LYS 60 HE2 LYS 60 34.615 -12.023 33.400 417 HE3 LYS 60 HE3 LYS 60 33.144 -11.430 34.177 418 HZ1 LYS 60 HZ1 LYS 60 34.967 -11.344 35.692 419 HZ2 LYS 60 HZ2 LYS 60 35.321 -12.977 35.448 420 HZ3 LYS 60 HZ3 LYS 60 33.885 -12.531 36.219 421 H TYR 61 H TYR 61 30.387 -14.237 30.367 422 HA TYR 61 HA TYR 61 31.051 -17.074 30.065 423 HB2 TYR 61 HB2 TYR 61 28.277 -15.988 30.643 424 HB3 TYR 61 HB3 TYR 61 28.881 -17.602 30.961 425 HD1 TYR 61 HD1 TYR 61 30.391 -17.991 32.920 426 HD2 TYR 61 HD2 TYR 61 28.609 -14.161 32.231 427 HE1 TYR 61 HE1 TYR 61 30.855 -17.341 35.244 428 HE2 TYR 61 HE2 TYR 61 29.092 -13.521 34.551 429 HH TYR 61 HH TYR 61 29.470 -14.644 36.729 430 H CYS 62 H CYS 62 30.080 -14.695 27.924 431 HA CYS 62 HA CYS 62 29.043 -16.663 25.980 432 HB2 CYS 62 HB2 CYS 62 27.366 -15.104 25.168 433 HB3 CYS 62 HB3 CYS 62 27.146 -15.247 26.910 434 HA PRO 63 HA PRO 63 32.229 -14.765 23.335 435 HB2 PRO 63 HB2 PRO 63 31.256 -15.336 20.814 436 HB3 PRO 63 HB3 PRO 63 31.979 -16.555 21.875 437 HG2 PRO 63 HG2 PRO 63 29.059 -15.909 21.461 438 HG3 PRO 63 HG3 PRO 63 29.862 -17.496 21.455 439 HD2 PRO 63 HD2 PRO 63 28.546 -16.608 23.636 440 HD3 PRO 63 HD3 PRO 63 30.044 -17.553 23.798 441 H ALA 64 H ALA 64 29.131 -13.433 23.629 442 HA ALA 64 HA ALA 64 29.145 -11.312 21.785 443 HB1 ALA 64 HB1 ALA 64 27.536 -10.201 23.291 444 HB2 ALA 64 HB2 ALA 64 27.942 -11.335 24.582 445 HB3 ALA 64 HB3 ALA 64 27.151 -11.916 23.118 446 H THR 65 H THR 65 30.852 -10.024 21.532 447 HA THR 65 HA THR 65 32.468 -9.111 23.832 448 HB THR 65 HB THR 65 33.222 -9.203 20.871 449 HG1 THR 65 HG1 THR 65 32.925 -11.270 21.772 450 HG21 THR 65 HG21 THR 65 35.537 -8.943 21.685 451 HG22 THR 65 HG22 THR 65 34.958 -8.788 23.345 452 HG23 THR 65 HG23 THR 65 34.562 -7.548 22.150 453 H PHE 66 H PHE 66 32.757 -6.985 24.199 454 HA PHE 66 HA PHE 66 31.363 -4.978 22.513 455 HB2 PHE 66 HB2 PHE 66 31.815 -4.979 25.546 456 HB3 PHE 66 HB3 PHE 66 31.079 -3.658 24.625 457 HD1 PHE 66 HD1 PHE 66 30.576 -7.093 25.897 458 HD2 PHE 66 HD2 PHE 66 28.814 -3.870 23.694 459 HE1 PHE 66 HE1 PHE 66 28.384 -8.190 26.023 460 HE2 PHE 66 HE2 PHE 66 26.619 -4.975 23.843 461 HZ PHE 66 HZ PHE 66 26.405 -7.134 25.001 462 H TYR 67 H TYR 67 32.343 -2.747 22.771 463 HA TYR 67 HA TYR 67 35.305 -2.863 23.002 464 HB2 TYR 67 HB2 TYR 67 34.205 -2.394 20.675 465 HB3 TYR 67 HB3 TYR 67 33.761 -0.823 21.334 466 HD1 TYR 67 HD1 TYR 67 36.778 -3.033 20.977 467 HD2 TYR 67 HD2 TYR 67 35.301 0.971 20.950 468 HE1 TYR 67 HE1 TYR 67 39.018 -2.216 20.393 469 HE2 TYR 67 HE2 TYR 67 37.545 1.796 20.362 470 HH TYR 67 HH TYR 67 40.131 -0.353 19.449 471 H SER 68 H SER 68 32.780 -2.089 24.814 472 HA SER 68 HA SER 68 34.118 0.141 26.179 473 HB2 SER 68 HB2 SER 68 32.337 1.082 24.623 474 HB3 SER 68 HB3 SER 68 31.123 0.215 25.569 475 HG SER 68 HG SER 68 31.258 2.250 26.412 476 H SER 69 H SER 69 33.807 0.178 28.363 477 HA SER 69 HA SER 69 33.400 -2.296 29.659 478 HB2 SER 69 HB2 SER 69 33.673 0.436 30.970 479 HB3 SER 69 HB3 SER 69 33.981 -1.133 31.720 480 HG SER 69 HG SER 69 35.422 0.153 29.664 481 HA PRO 70 HA PRO 70 29.183 -0.279 31.361 482 HB2 PRO 70 HB2 PRO 70 28.540 1.488 29.007 483 HB3 PRO 70 HB3 PRO 70 28.174 1.721 30.723 484 HG2 PRO 70 HG2 PRO 70 30.139 3.121 29.589 485 HG3 PRO 70 HG3 PRO 70 30.353 2.448 31.223 486 HD2 PRO 70 HD2 PRO 70 31.392 1.389 28.586 487 HD3 PRO 70 HD3 PRO 70 32.238 1.550 30.141 488 H GLY 71 H GLY 71 29.854 -0.725 27.890 489 HA2 GLY 71 HA2 GLY 71 27.480 -2.086 27.126 490 HA3 GLY 71 HA3 GLY 71 29.028 -2.181 26.308 491 H LEU 72 H LEU 72 30.604 -3.258 28.264 492 HA LEU 72 HA LEU 72 30.352 -6.010 28.247 493 HB2 LEU 72 HB2 LEU 72 32.412 -4.866 28.811 494 HB3 LEU 72 HB3 LEU 72 31.672 -4.099 30.196 495 HG LEU 72 HG LEU 72 31.547 -6.350 31.325 496 HD11 LEU 72 HD11 LEU 72 33.238 -7.284 28.993 497 HD12 LEU 72 HD12 LEU 72 31.586 -7.791 29.354 498 HD13 LEU 72 HD13 LEU 72 32.892 -8.203 30.461 499 HD21 LEU 72 HD21 LEU 72 33.951 -6.440 31.893 500 HD22 LEU 72 HD22 LEU 72 33.352 -4.785 31.856 501 HD23 LEU 72 HD23 LEU 72 34.315 -5.399 30.509 502 H THR 73 H THR 73 29.346 -3.743 30.781 503 HA THR 73 HA THR 73 28.154 -5.680 32.529 504 HB THR 73 HB THR 73 27.779 -2.647 32.503 505 HG1 THR 73 HG1 THR 73 29.727 -4.233 33.859 506 HG21 THR 73 HG21 THR 73 26.171 -3.814 34.004 507 HG22 THR 73 HG22 THR 73 27.357 -2.898 34.933 508 HG23 THR 73 HG23 THR 73 27.507 -4.650 34.798 509 H ARG 74 H ARG 74 26.974 -3.689 29.869 510 HA ARG 74 HA ARG 74 24.223 -3.719 30.571 511 HB2 ARG 74 HB2 ARG 74 25.714 -2.929 28.077 512 HB3 ARG 74 HB3 ARG 74 23.966 -3.134 27.972 513 HG2 ARG 74 HG2 ARG 74 23.670 -1.475 29.799 514 HG3 ARG 74 HG3 ARG 74 25.418 -1.240 29.860 515 HD2 ARG 74 HD2 ARG 74 23.697 -0.715 27.412 516 HD3 ARG 74 HD3 ARG 74 24.186 0.529 28.566 517 HE ARG 74 HE ARG 74 26.569 -0.356 27.913 518 HH11 ARG 74 HH11 ARG 74 23.883 0.165 25.708 519 HH12 ARG 74 HH12 ARG 74 24.906 0.595 24.378 520 HH21 ARG 74 HH21 ARG 74 27.878 0.202 26.136 521 HH22 ARG 74 HH22 ARG 74 27.145 0.590 24.616 522 H HIS 75 H HIS 75 26.171 -6.081 28.760 523 HA HIS 75 HA HIS 75 23.901 -7.475 27.694 524 HB2 HIS 75 HB2 HIS 75 26.392 -7.831 26.985 525 HB3 HIS 75 HB3 HIS 75 26.491 -8.947 28.342 526 HD2 HIS 75 HD2 HIS 75 24.277 -8.458 25.135 527 HE1 HIS 75 HE1 HIS 75 24.120 -12.517 26.200 528 HE2 HIS 75 HE2 HIS 75 23.527 -10.816 24.456 529 H ILE 76 H ILE 76 25.613 -7.533 30.716 530 HA ILE 76 HA ILE 76 24.626 -9.942 31.816 531 HB ILE 76 HB ILE 76 25.575 -7.431 33.267 532 HG12 ILE 76 HG12 ILE 76 27.213 -9.867 32.368 533 HG13 ILE 76 HG13 ILE 76 27.273 -8.267 31.643 534 HG21 ILE 76 HG21 ILE 76 26.112 -8.923 35.160 535 HG22 ILE 76 HG22 ILE 76 25.419 -10.293 34.290 536 HG23 ILE 76 HG23 ILE 76 24.391 -8.949 34.790 537 HD11 ILE 76 HD11 ILE 76 29.183 -8.651 33.071 538 HD12 ILE 76 HD12 ILE 76 28.135 -8.961 34.452 539 HD13 ILE 76 HD13 ILE 76 28.189 -7.351 33.727 540 H ASN 77 H ASN 77 23.635 -6.547 32.326 541 HA ASN 77 HA ASN 77 21.353 -7.100 33.928 542 HB2 ASN 77 HB2 ASN 77 22.161 -4.619 32.360 543 HB3 ASN 77 HB3 ASN 77 20.772 -4.667 33.447 544 HD21 ASN 77 HD21 ASN 77 21.128 -4.737 35.671 545 HD22 ASN 77 HD22 ASN 77 22.677 -4.442 36.381 546 H LYS 78 H LYS 78 21.792 -7.073 30.468 547 HA LYS 78 HA LYS 78 18.996 -6.591 29.806 548 HB2 LYS 78 HB2 LYS 78 20.817 -5.717 28.365 549 HB3 LYS 78 HB3 LYS 78 21.350 -7.360 28.036 550 HG2 LYS 78 HG2 LYS 78 19.115 -7.809 26.963 551 HG3 LYS 78 HG3 LYS 78 18.715 -6.104 27.188 552 HD2 LYS 78 HD2 LYS 78 19.488 -6.423 24.905 553 HD3 LYS 78 HD3 LYS 78 20.698 -5.492 25.788 554 HE2 LYS 78 HE2 LYS 78 22.096 -7.490 26.043 555 HE3 LYS 78 HE3 LYS 78 20.865 -8.482 25.259 556 HZ1 LYS 78 HZ1 LYS 78 21.154 -7.123 23.260 557 HZ2 LYS 78 HZ2 LYS 78 22.577 -7.912 23.706 558 HZ3 LYS 78 HZ3 LYS 78 22.396 -6.267 24.024 559 H CYS 79 H CYS 79 21.286 -9.322 29.290 560 HA CYS 79 HA CYS 79 19.113 -11.273 29.161 561 HB2 CYS 79 HB2 CYS 79 19.213 -10.207 26.872 562 HB3 CYS 79 HB3 CYS 79 20.887 -10.733 26.727 563 HG CYS 79 HG CYS 79 19.625 -13.488 27.356 564 H HIS 80 H HIS 80 21.509 -10.840 30.851 565 HA HIS 80 HA HIS 80 22.539 -13.574 30.634 566 HB2 HIS 80 HB2 HIS 80 24.110 -11.783 29.429 567 HB3 HIS 80 HB3 HIS 80 24.611 -11.404 31.072 568 HD2 HIS 80 HD2 HIS 80 24.733 -14.525 32.161 569 HE1 HIS 80 HE1 HIS 80 27.414 -15.052 28.958 570 HE2 HIS 80 HE2 HIS 80 26.393 -16.105 31.004 571 HA PRO 81 HA PRO 81 21.849 -12.564 35.113 572 HB2 PRO 81 HB2 PRO 81 19.838 -14.302 35.647 573 HB3 PRO 81 HB3 PRO 81 19.514 -12.715 34.931 574 HG2 PRO 81 HG2 PRO 81 19.736 -15.397 33.561 575 HG3 PRO 81 HG3 PRO 81 18.490 -14.144 33.363 576 HD2 PRO 81 HD2 PRO 81 20.610 -14.428 31.645 577 HD3 PRO 81 HD3 PRO 81 19.827 -12.863 31.955 578 H SER 82 H SER 82 22.747 -15.222 33.129 579 HA SER 82 HA SER 82 23.385 -17.134 35.188 580 HB2 SER 82 HB2 SER 82 24.451 -16.972 32.333 581 HB3 SER 82 HB3 SER 82 24.521 -18.376 33.406 582 HG SER 82 HG SER 82 22.324 -18.562 33.302 583 H GLU 83 H GLU 83 24.535 -15.933 36.689 584 HA GLU 83 HA GLU 83 27.214 -14.869 35.965 585 HB2 GLU 83 HB2 GLU 83 25.258 -13.894 38.097 586 HB3 GLU 83 HB3 GLU 83 26.825 -13.173 37.735 587 HG2 GLU 83 HG2 GLU 83 26.056 -12.334 35.613 588 HG3 GLU 83 HG3 GLU 83 24.595 -13.325 35.677 589 H ASN 84 H ASN 84 25.219 -15.948 38.692 590 HA ASN 84 HA ASN 84 25.524 -17.058 40.599 591 HB2 ASN 84 HB2 ASN 84 27.914 -18.349 39.212 592 HB3 ASN 84 HB3 ASN 84 27.199 -18.904 40.719 593 HD21 ASN 84 HD21 ASN 84 26.735 -18.624 37.262 594 HD22 ASN 84 HD22 ASN 84 25.399 -19.714 37.151 595 H ARG 85 H ARG 85 29.036 -16.820 39.943 596 HA ARG 85 HA ARG 85 29.451 -14.351 41.218 597 HB2 ARG 85 HB2 ARG 85 30.818 -15.224 43.218 598 HB3 ARG 85 HB3 ARG 85 29.066 -15.271 43.363 599 HG2 ARG 85 HG2 ARG 85 29.077 -17.694 42.916 600 HG3 ARG 85 HG3 ARG 85 30.835 -17.655 42.723 601 HD2 ARG 85 HD2 ARG 85 31.144 -17.016 45.044 602 HD3 ARG 85 HD3 ARG 85 29.404 -16.824 45.279 603 HE ARG 85 HE ARG 85 30.828 -19.394 44.877 604 HH11 ARG 85 HH11 ARG 85 27.992 -17.683 46.020 605 HH12 ARG 85 HH12 ARG 85 27.347 -19.059 46.850 606 HH21 ARG 85 HH21 ARG 85 29.974 -21.190 45.979 607 HH22 ARG 85 HH22 ARG 85 28.466 -21.052 46.827 Start of MODEL 6 1 H1 MET 1 H1 MET 1 94.986 6.110 17.214 2 H2 MET 1 H2 MET 1 96.344 5.272 16.671 3 H3 MET 1 H3 MET 1 96.221 6.938 16.414 4 HA MET 1 HA MET 1 96.399 5.616 19.053 5 HB2 MET 1 HB2 MET 1 98.506 7.219 17.525 6 HB3 MET 1 HB3 MET 1 98.690 6.619 19.169 7 HG2 MET 1 HG2 MET 1 98.576 4.304 18.345 8 HG3 MET 1 HG3 MET 1 98.371 4.901 16.696 9 HE1 MET 1 HE1 MET 1 100.441 3.530 15.754 10 HE2 MET 1 HE2 MET 1 100.603 2.796 17.352 11 HE3 MET 1 HE3 MET 1 102.014 3.492 16.552 12 H GLY 2 H GLY 2 97.442 7.557 20.537 13 HA2 GLY 2 HA2 GLY 2 97.261 9.663 21.452 14 HA3 GLY 2 HA3 GLY 2 96.370 10.195 20.036 15 H HIS 3 H HIS 3 95.450 11.232 22.223 16 HA HIS 3 HA HIS 3 93.515 9.532 23.610 17 HB2 HIS 3 HB2 HIS 3 94.314 12.421 24.136 18 HB3 HIS 3 HB3 HIS 3 93.277 11.437 25.166 19 HD1 HIS 3 HD1 HIS 3 96.759 12.352 24.657 20 HD2 HIS 3 HD2 HIS 3 94.745 9.121 26.320 21 HE1 HIS 3 HE1 HIS 3 98.446 11.168 26.079 22 HE2 HIS 3 HE2 HIS 3 97.191 9.256 27.129 23 H HIS 4 H HIS 4 91.884 9.225 22.124 24 HA HIS 4 HA HIS 4 90.444 11.397 20.827 25 HB2 HIS 4 HB2 HIS 4 89.738 8.439 21.204 26 HB3 HIS 4 HB3 HIS 4 88.832 9.565 20.200 27 HD1 HIS 4 HD1 HIS 4 89.402 9.344 17.789 28 HD2 HIS 4 HD2 HIS 4 92.642 8.337 20.179 29 HE1 HIS 4 HE1 HIS 4 91.218 8.639 16.210 30 HE2 HIS 4 HE2 HIS 4 93.217 8.209 17.670 31 H HIS 5 H HIS 5 89.601 12.797 22.364 32 HA HIS 5 HA HIS 5 89.230 12.016 25.051 33 HB2 HIS 5 HB2 HIS 5 88.585 14.625 23.628 34 HB3 HIS 5 HB3 HIS 5 88.363 14.411 25.365 35 HD1 HIS 5 HD1 HIS 5 90.764 15.711 23.097 36 HD2 HIS 5 HD2 HIS 5 90.991 13.419 26.546 37 HE1 HIS 5 HE1 HIS 5 93.123 15.928 23.896 38 HE2 HIS 5 HE2 HIS 5 93.172 14.707 26.094 39 H HIS 6 H HIS 6 87.705 10.378 25.075 40 HA HIS 6 HA HIS 6 85.811 9.525 25.924 41 HB2 HIS 6 HB2 HIS 6 84.602 12.321 25.954 42 HB3 HIS 6 HB3 HIS 6 84.079 10.934 26.905 43 HD1 HIS 6 HD1 HIS 6 85.923 10.108 28.758 44 HD2 HIS 6 HD2 HIS 6 86.417 13.921 27.196 45 HE1 HIS 6 HE1 HIS 6 87.475 11.287 30.332 46 HE2 HIS 6 HE2 HIS 6 87.857 13.549 29.295 47 H HIS 7 H HIS 7 85.828 10.971 22.887 48 HA HIS 7 HA HIS 7 83.031 10.634 22.220 49 HB2 HIS 7 HB2 HIS 7 85.453 11.586 20.647 50 HB3 HIS 7 HB3 HIS 7 83.916 11.266 19.844 51 HD1 HIS 7 HD1 HIS 7 81.991 12.934 20.272 52 HD2 HIS 7 HD2 HIS 7 85.476 13.920 22.285 53 HE1 HIS 7 HE1 HIS 7 81.669 15.289 21.060 54 HE2 HIS 7 HE2 HIS 7 83.716 15.781 22.442 55 H HIS 8 H HIS 8 82.150 9.117 20.990 56 HA HIS 8 HA HIS 8 83.732 6.881 19.865 57 HB2 HIS 8 HB2 HIS 8 81.088 6.589 21.374 58 HB3 HIS 8 HB3 HIS 8 81.991 5.279 20.620 59 HD1 HIS 8 HD1 HIS 8 82.038 7.562 23.603 60 HD2 HIS 8 HD2 HIS 8 84.122 4.289 22.154 61 HE1 HIS 8 HE1 HIS 8 83.455 6.772 25.504 62 HE2 HIS 8 HE2 HIS 8 84.574 4.694 24.653 63 H SER 9 H SER 9 82.376 5.675 18.198 64 HA SER 9 HA SER 9 80.267 7.284 16.914 65 HB2 SER 9 HB2 SER 9 82.729 6.271 15.427 66 HB3 SER 9 HB3 SER 9 81.334 7.058 14.688 67 HG SER 9 HG SER 9 82.033 8.702 16.540 68 H HIS 10 H HIS 10 82.173 4.357 16.115 69 HA HIS 10 HA HIS 10 81.667 2.286 15.405 70 HB2 HIS 10 HB2 HIS 10 79.200 2.741 17.120 71 HB3 HIS 10 HB3 HIS 10 79.472 1.223 16.277 72 HD1 HIS 10 HD1 HIS 10 79.701 -0.160 18.397 73 HD2 HIS 10 HD2 HIS 10 82.422 2.970 18.223 74 HE1 HIS 10 HE1 HIS 10 81.334 -0.582 20.239 75 HE2 HIS 10 HE2 HIS 10 82.859 1.412 20.225 76 H MET 11 H MET 11 79.955 0.940 14.130 77 HA MET 11 HA MET 11 78.139 2.463 12.474 78 HB2 MET 11 HB2 MET 11 79.223 1.763 10.308 79 HB3 MET 11 HB3 MET 11 80.128 2.962 11.215 80 HG2 MET 11 HG2 MET 11 81.705 1.252 11.959 81 HG3 MET 11 HG3 MET 11 80.774 0.006 11.121 82 HE1 MET 11 HE1 MET 11 83.978 0.595 10.656 83 HE2 MET 11 HE2 MET 11 84.044 0.387 8.908 84 HE3 MET 11 HE3 MET 11 83.091 -0.726 9.890 85 H GLY 12 H GLY 12 76.412 1.261 12.362 86 HA2 GLY 12 HA2 GLY 12 75.824 -1.110 11.322 87 HA3 GLY 12 HA3 GLY 12 76.463 -1.615 12.885 88 H ASP 13 H ASP 13 73.641 -1.171 11.409 89 HA ASP 13 HA ASP 13 72.190 0.340 13.458 90 HB2 ASP 13 HB2 ASP 13 71.214 -1.084 10.939 91 HB3 ASP 13 HB3 ASP 13 70.194 -0.117 11.998 92 H GLY 14 H GLY 14 72.793 -3.006 12.557 93 HA2 GLY 14 HA2 GLY 14 72.213 -5.008 13.537 94 HA3 GLY 14 HA3 GLY 14 71.532 -4.107 14.888 95 H GLU 15 H GLU 15 70.906 -4.940 11.489 96 HA GLU 15 HA GLU 15 68.260 -4.118 11.250 97 HB2 GLU 15 HB2 GLU 15 69.709 -6.393 9.841 98 HB3 GLU 15 HB3 GLU 15 68.157 -5.748 9.317 99 HG2 GLU 15 HG2 GLU 15 69.185 -3.548 8.897 100 HG3 GLU 15 HG3 GLU 15 70.730 -4.147 9.489 101 H GLY 16 H GLY 16 69.465 -7.360 12.142 102 HA2 GLY 16 HA2 GLY 16 68.558 -9.130 13.262 103 HA3 GLY 16 HA3 GLY 16 67.419 -7.994 13.967 104 H ALA 17 H ALA 17 65.338 -8.112 13.361 105 HA ALA 17 HA ALA 17 64.421 -9.306 10.880 106 HB1 ALA 17 HB1 ALA 17 63.865 -10.718 13.522 107 HB2 ALA 17 HB2 ALA 17 64.897 -11.328 12.230 108 HB3 ALA 17 HB3 ALA 17 63.162 -11.149 11.960 109 H GLY 18 H GLY 18 61.749 -9.865 11.907 110 HA2 GLY 18 HA2 GLY 18 59.915 -8.791 12.984 111 HA3 GLY 18 HA3 GLY 18 60.799 -7.271 12.958 112 H VAL 19 H VAL 19 58.800 -6.394 12.009 113 HA VAL 19 HA VAL 19 58.144 -7.227 9.280 114 HB VAL 19 HB VAL 19 56.288 -5.607 9.395 115 HG11 VAL 19 HG11 VAL 19 55.880 -7.919 10.082 116 HG12 VAL 19 HG12 VAL 19 54.893 -6.816 11.042 117 HG13 VAL 19 HG13 VAL 19 56.344 -7.536 11.744 118 HG21 VAL 19 HG21 VAL 19 57.242 -3.908 10.912 119 HG22 VAL 19 HG22 VAL 19 57.183 -5.047 12.259 120 HG23 VAL 19 HG23 VAL 19 55.686 -4.475 11.523 121 H LEU 20 H LEU 20 57.988 -5.717 7.561 122 HA LEU 20 HA LEU 20 59.730 -3.322 7.705 123 HB2 LEU 20 HB2 LEU 20 59.476 -5.294 5.393 124 HB3 LEU 20 HB3 LEU 20 60.457 -3.838 5.384 125 HG LEU 20 HG LEU 20 60.920 -6.243 7.196 126 HD11 LEU 20 HD11 LEU 20 62.456 -5.385 4.717 127 HD12 LEU 20 HD12 LEU 20 61.413 -6.802 4.859 128 HD13 LEU 20 HD13 LEU 20 62.904 -6.709 5.796 129 HD21 LEU 20 HD21 LEU 20 61.699 -4.172 8.258 130 HD22 LEU 20 HD22 LEU 20 62.627 -3.751 6.816 131 HD23 LEU 20 HD23 LEU 20 63.073 -5.166 7.770 132 H GLY 21 H GLY 21 57.226 -5.008 5.795 133 HA2 GLY 21 HA2 GLY 21 55.427 -2.776 5.796 134 HA3 GLY 21 HA3 GLY 21 56.254 -2.941 4.254 135 H LEU 22 H LEU 22 53.401 -3.313 5.107 136 HA LEU 22 HA LEU 22 52.885 -6.147 4.546 137 HB2 LEU 22 HB2 LEU 22 51.715 -4.957 6.416 138 HB3 LEU 22 HB3 LEU 22 50.971 -3.887 5.244 139 HG LEU 22 HG LEU 22 49.802 -5.863 4.228 140 HD11 LEU 22 HD11 LEU 22 49.716 -8.009 5.424 141 HD12 LEU 22 HD12 LEU 22 50.911 -7.430 6.585 142 HD13 LEU 22 HD13 LEU 22 51.358 -7.644 4.892 143 HD21 LEU 22 HD21 LEU 22 48.121 -6.129 6.022 144 HD22 LEU 22 HD22 LEU 22 48.626 -4.451 5.857 145 HD23 LEU 22 HD23 LEU 22 49.245 -5.429 7.191 146 H SER 23 H SER 23 52.714 -6.721 2.436 147 HA SER 23 HA SER 23 52.419 -4.856 0.295 148 HB2 SER 23 HB2 SER 23 52.238 -7.898 0.240 149 HB3 SER 23 HB3 SER 23 52.525 -6.843 -1.154 150 HG SER 23 HG SER 23 54.405 -6.104 0.241 151 H ALA 24 H ALA 24 50.485 -3.800 0.406 152 HA ALA 24 HA ALA 24 48.314 -3.275 0.223 153 HB1 ALA 24 HB1 ALA 24 47.967 -6.041 -0.988 154 HB2 ALA 24 HB2 ALA 24 48.398 -4.578 -1.869 155 HB3 ALA 24 HB3 ALA 24 46.812 -4.711 -1.108 156 H SER 25 H SER 25 45.986 -4.085 0.833 157 HA SER 25 HA SER 25 45.890 -6.006 3.038 158 HB2 SER 25 HB2 SER 25 44.934 -3.119 3.374 159 HB3 SER 25 HB3 SER 25 44.674 -4.425 4.537 160 HG SER 25 HG SER 25 47.233 -4.415 4.090 161 H ALA 26 H ALA 26 44.099 -7.259 2.773 162 HA ALA 26 HA ALA 26 42.156 -6.826 0.771 163 HB1 ALA 26 HB1 ALA 26 41.949 -8.618 3.211 164 HB2 ALA 26 HB2 ALA 26 42.651 -9.060 1.655 165 HB3 ALA 26 HB3 ALA 26 40.927 -8.691 1.772 166 H GLU 27 H GLU 27 40.746 -5.254 0.772 167 HA GLU 27 HA GLU 27 39.893 -3.824 3.097 168 HB2 GLU 27 HB2 GLU 27 40.296 -2.811 0.837 169 HB3 GLU 27 HB3 GLU 27 38.864 -3.640 0.241 170 HG2 GLU 27 HG2 GLU 27 37.595 -2.397 2.151 171 HG3 GLU 27 HG3 GLU 27 39.027 -1.374 2.251 172 H CYS 28 H CYS 28 38.920 -5.546 4.284 173 HA CYS 28 HA CYS 28 36.100 -5.998 3.658 174 HB2 CYS 28 HB2 CYS 28 38.056 -8.271 4.232 175 HB3 CYS 28 HB3 CYS 28 36.306 -8.442 4.154 176 HG CYS 28 HG CYS 28 36.720 -7.199 1.358 177 H HIS 29 H HIS 29 38.572 -7.180 5.949 178 HA HIS 29 HA HIS 29 37.373 -5.728 8.179 179 HB2 HIS 29 HB2 HIS 29 37.385 -8.771 8.015 180 HB3 HIS 29 HB3 HIS 29 37.369 -7.944 9.575 181 HD1 HIS 29 HD1 HIS 29 35.131 -9.103 6.915 182 HD2 HIS 29 HD2 HIS 29 35.010 -6.177 9.873 183 HE1 HIS 29 HE1 HIS 29 32.715 -8.469 7.156 184 HE2 HIS 29 HE2 HIS 29 32.699 -6.555 8.781 185 H LEU 30 H LEU 30 38.867 -5.079 9.606 186 HA LEU 30 HA LEU 30 41.521 -6.409 9.736 187 HB2 LEU 30 HB2 LEU 30 41.024 -3.421 10.097 188 HB3 LEU 30 HB3 LEU 30 42.581 -4.229 10.071 189 HG LEU 30 HG LEU 30 40.728 -3.881 7.678 190 HD11 LEU 30 HD11 LEU 30 43.338 -2.475 8.301 191 HD12 LEU 30 HD12 LEU 30 41.729 -1.754 8.362 192 HD13 LEU 30 HD13 LEU 30 42.392 -2.295 6.821 193 HD21 LEU 30 HD21 LEU 30 43.526 -5.058 7.753 194 HD22 LEU 30 HD22 LEU 30 42.576 -4.740 6.300 195 HD23 LEU 30 HD23 LEU 30 42.032 -5.951 7.458 196 H CYS 31 H CYS 31 42.134 -6.910 11.867 197 HA CYS 31 HA CYS 31 40.313 -6.859 14.003 198 HB2 CYS 31 HB2 CYS 31 42.163 -8.425 14.022 199 HB3 CYS 31 HB3 CYS 31 43.339 -7.119 14.008 200 HA PRO 32 HA PRO 32 39.848 -2.410 14.409 201 HB2 PRO 32 HB2 PRO 32 39.356 -3.208 17.297 202 HB3 PRO 32 HB3 PRO 32 38.487 -2.021 16.306 203 HG2 PRO 32 HG2 PRO 32 37.476 -4.466 16.625 204 HG3 PRO 32 HG3 PRO 32 37.419 -3.689 15.025 205 HD2 PRO 32 HD2 PRO 32 39.163 -5.928 15.975 206 HD3 PRO 32 HD3 PRO 32 38.571 -5.575 14.339 207 H VAL 33 H VAL 33 41.938 -3.962 16.836 208 HA VAL 33 HA VAL 33 43.036 -1.380 17.686 209 HB VAL 33 HB VAL 33 43.654 -4.124 18.857 210 HG11 VAL 33 HG11 VAL 33 44.225 -2.854 20.906 211 HG12 VAL 33 HG12 VAL 33 43.875 -1.341 20.067 212 HG13 VAL 33 HG13 VAL 33 45.217 -2.355 19.534 213 HG21 VAL 33 HG21 VAL 33 41.866 -3.713 20.528 214 HG22 VAL 33 HG22 VAL 33 41.211 -3.822 18.896 215 HG23 VAL 33 HG23 VAL 33 41.393 -2.246 19.666 216 H CYS 34 H CYS 34 43.988 -4.118 15.698 217 HA CYS 34 HA CYS 34 46.627 -2.866 15.224 218 HB2 CYS 34 HB2 CYS 34 47.780 -4.995 15.148 219 HB3 CYS 34 HB3 CYS 34 46.945 -4.888 16.688 220 H GLY 35 H GLY 35 46.959 -2.418 13.114 221 HA2 GLY 35 HA2 GLY 35 45.174 -3.065 11.015 222 HA3 GLY 35 HA3 GLY 35 46.810 -2.439 10.815 223 H GLU 36 H GLU 36 44.862 -5.010 10.103 224 HA GLU 36 HA GLU 36 46.935 -7.006 9.754 225 HB2 GLU 36 HB2 GLU 36 46.488 -6.948 12.252 226 HB3 GLU 36 HB3 GLU 36 44.823 -7.401 11.940 227 HG2 GLU 36 HG2 GLU 36 45.542 -9.569 11.082 228 HG3 GLU 36 HG3 GLU 36 47.237 -9.106 11.271 229 H SER 37 H SER 37 46.300 -7.822 7.841 230 HA SER 37 HA SER 37 43.774 -7.190 6.708 231 HB2 SER 37 HB2 SER 37 45.996 -8.950 5.610 232 HB3 SER 37 HB3 SER 37 44.671 -8.249 4.674 233 HG SER 37 HG SER 37 46.816 -7.114 4.784 234 H PHE 38 H PHE 38 41.931 -8.275 7.062 235 HA PHE 38 HA PHE 38 41.901 -11.228 6.810 236 HB2 PHE 38 HB2 PHE 38 40.152 -9.575 8.695 237 HB3 PHE 38 HB3 PHE 38 39.983 -11.308 8.414 238 HD1 PHE 38 HD2 PHE 38 42.336 -12.647 8.754 239 HD2 PHE 38 HD1 PHE 38 41.263 -8.977 10.681 240 HE1 PHE 38 HE2 PHE 38 43.915 -13.137 10.570 241 HE2 PHE 38 HE1 PHE 38 42.850 -9.475 12.486 242 HZ PHE 38 HZ PHE 38 44.173 -11.554 12.439 243 H ALA 39 H ALA 39 39.920 -12.056 5.983 244 HA ALA 39 HA ALA 39 38.326 -10.211 4.302 245 HB1 ALA 39 HB1 ALA 39 37.847 -12.179 2.894 246 HB2 ALA 39 HB2 ALA 39 38.828 -13.193 3.958 247 HB3 ALA 39 HB3 ALA 39 39.583 -11.898 3.028 248 H SER 40 H SER 40 38.037 -13.300 6.088 249 HA SER 40 HA SER 40 35.251 -12.970 6.714 250 HB2 SER 40 HB2 SER 40 36.259 -15.223 6.546 251 HB3 SER 40 HB3 SER 40 37.335 -14.866 7.895 252 HG SER 40 HG SER 40 35.662 -15.930 8.796 253 H LYS 41 H LYS 41 34.339 -12.039 8.519 254 HA LYS 41 HA LYS 41 35.943 -10.478 10.310 255 HB2 LYS 41 HB2 LYS 41 33.546 -9.904 9.595 256 HB3 LYS 41 HB3 LYS 41 33.001 -11.148 10.718 257 HG2 LYS 41 HG2 LYS 41 34.280 -9.895 12.547 258 HG3 LYS 41 HG3 LYS 41 34.512 -8.593 11.383 259 HD2 LYS 41 HD2 LYS 41 32.637 -8.042 12.823 260 HD3 LYS 41 HD3 LYS 41 32.021 -8.371 11.200 261 HE2 LYS 41 HE2 LYS 41 31.272 -10.579 11.879 262 HE3 LYS 41 HE3 LYS 41 32.041 -10.400 13.460 263 HZ1 LYS 41 HZ1 LYS 41 29.664 -10.002 13.554 264 HZ2 LYS 41 HZ2 LYS 41 29.810 -8.745 12.436 265 HZ3 LYS 41 HZ3 LYS 41 30.533 -8.609 13.956 266 H GLY 42 H GLY 42 34.661 -13.747 10.364 267 HA2 GLY 42 HA2 GLY 42 34.884 -14.404 13.093 268 HA3 GLY 42 HA3 GLY 42 35.157 -15.514 11.755 269 H ALA 43 H ALA 43 37.341 -14.072 10.596 270 HA ALA 43 HA ALA 43 39.585 -14.855 12.246 271 HB1 ALA 43 HB1 ALA 43 39.571 -15.254 9.811 272 HB2 ALA 43 HB2 ALA 43 40.933 -14.246 10.293 273 HB3 ALA 43 HB3 ALA 43 39.525 -13.513 9.520 274 H GLN 44 H GLN 44 37.914 -11.848 11.526 275 HA GLN 44 HA GLN 44 39.919 -10.069 12.562 276 HB2 GLN 44 HB2 GLN 44 38.139 -9.223 11.096 277 HB3 GLN 44 HB3 GLN 44 36.905 -9.728 12.244 278 HG2 GLN 44 HG2 GLN 44 37.791 -8.065 13.878 279 HG3 GLN 44 HG3 GLN 44 38.958 -7.532 12.674 280 HE21 GLN 44 HE21 GLN 44 35.587 -7.527 13.574 281 HE22 GLN 44 HE22 GLN 44 35.096 -6.273 12.493 282 H GLU 45 H GLU 45 37.110 -11.727 13.927 283 HA GLU 45 HA GLU 45 37.226 -10.488 16.508 284 HB2 GLU 45 HB2 GLU 45 35.656 -12.942 15.616 285 HB3 GLU 45 HB3 GLU 45 35.418 -12.079 17.129 286 HG2 GLU 45 HG2 GLU 45 34.858 -11.061 14.339 287 HG3 GLU 45 HG3 GLU 45 33.671 -11.477 15.570 288 H ARG 46 H ARG 46 38.654 -13.357 15.062 289 HA ARG 46 HA ARG 46 39.041 -14.901 17.386 290 HB2 ARG 46 HB2 ARG 46 40.604 -16.263 16.193 291 HB3 ARG 46 HB3 ARG 46 39.392 -15.767 15.022 292 HG2 ARG 46 HG2 ARG 46 40.904 -14.151 14.049 293 HG3 ARG 46 HG3 ARG 46 42.104 -14.444 15.301 294 HD2 ARG 46 HD2 ARG 46 42.718 -15.538 13.200 295 HD3 ARG 46 HD3 ARG 46 42.431 -16.730 14.470 296 HE ARG 46 HE ARG 46 40.024 -16.481 13.128 297 HH11 ARG 46 HH11 ARG 46 43.289 -17.435 12.248 298 HH12 ARG 46 HH12 ARG 46 42.762 -18.518 10.998 299 HH21 ARG 46 HH21 ARG 46 39.359 -17.914 11.470 300 HH22 ARG 46 HH22 ARG 46 40.551 -18.779 10.553 301 H HIS 47 H HIS 47 41.012 -12.291 15.964 302 HA HIS 47 HA HIS 47 43.232 -12.615 17.740 303 HB2 HIS 47 HB2 HIS 47 42.979 -11.218 15.424 304 HB3 HIS 47 HB3 HIS 47 42.706 -9.888 16.542 305 HD2 HIS 47 HD2 HIS 47 45.434 -12.634 15.889 306 HE1 HIS 47 HE1 HIS 47 47.325 -9.292 17.604 307 HE2 HIS 47 HE2 HIS 47 47.668 -11.460 16.374 308 H LEU 48 H LEU 48 40.246 -10.803 17.785 309 HA LEU 48 HA LEU 48 40.794 -9.094 19.978 310 HB2 LEU 48 HB2 LEU 48 38.162 -10.051 18.816 311 HB3 LEU 48 HB3 LEU 48 38.309 -8.788 20.027 312 HG LEU 48 HG LEU 48 39.468 -8.634 17.221 313 HD11 LEU 48 HD11 LEU 48 37.687 -7.007 16.758 314 HD12 LEU 48 HD12 LEU 48 36.999 -7.294 18.356 315 HD13 LEU 48 HD13 LEU 48 37.028 -8.592 17.160 316 HD21 LEU 48 HD21 LEU 48 40.790 -7.305 18.824 317 HD22 LEU 48 HD22 LEU 48 39.328 -6.497 19.389 318 HD23 LEU 48 HD23 LEU 48 39.889 -6.246 17.735 319 H ARG 49 H ARG 49 39.251 -12.323 19.799 320 HA ARG 49 HA ARG 49 38.849 -12.322 22.685 321 HB2 ARG 49 HB2 ARG 49 37.791 -14.565 22.378 322 HB3 ARG 49 HB3 ARG 49 37.034 -13.259 21.484 323 HG2 ARG 49 HG2 ARG 49 36.971 -15.058 19.989 324 HG3 ARG 49 HG3 ARG 49 38.354 -14.117 19.430 325 HD2 ARG 49 HD2 ARG 49 38.766 -16.583 19.448 326 HD3 ARG 49 HD3 ARG 49 39.900 -15.676 20.456 327 HE ARG 49 HE ARG 49 38.062 -16.360 22.271 328 HH11 ARG 49 HH11 ARG 49 39.585 -18.358 19.833 329 HH12 ARG 49 HH12 ARG 49 39.520 -19.794 20.800 330 HH21 ARG 49 HH21 ARG 49 38.012 -18.237 23.537 331 HH22 ARG 49 HH22 ARG 49 38.627 -19.728 22.896 332 H LEU 50 H LEU 50 41.382 -13.344 20.572 333 HA LEU 50 HA LEU 50 42.529 -15.213 22.538 334 HB2 LEU 50 HB2 LEU 50 43.434 -14.452 19.741 335 HB3 LEU 50 HB3 LEU 50 44.380 -15.485 20.802 336 HG LEU 50 HG LEU 50 41.612 -16.120 19.708 337 HD11 LEU 50 HD11 LEU 50 44.311 -17.318 18.995 338 HD12 LEU 50 HD12 LEU 50 43.360 -16.226 17.986 339 HD13 LEU 50 HD13 LEU 50 42.744 -17.833 18.360 340 HD21 LEU 50 HD21 LEU 50 41.922 -18.363 20.710 341 HD22 LEU 50 HD22 LEU 50 41.866 -17.100 21.936 342 HD23 LEU 50 HD23 LEU 50 43.416 -17.815 21.480 343 H LEU 51 H LEU 51 44.172 -12.698 20.581 344 HA LEU 51 HA LEU 51 46.135 -12.439 22.735 345 HB2 LEU 51 HB2 LEU 51 46.209 -11.365 19.897 346 HB3 LEU 51 HB3 LEU 51 47.535 -11.319 21.048 347 HG LEU 51 HG LEU 51 46.338 -13.825 19.799 348 HD11 LEU 51 HD11 LEU 51 49.072 -12.571 19.399 349 HD12 LEU 51 HD12 LEU 51 47.749 -12.581 18.229 350 HD13 LEU 51 HD13 LEU 51 48.519 -14.095 18.699 351 HD21 LEU 51 HD21 LEU 51 48.593 -13.624 21.835 352 HD22 LEU 51 HD22 LEU 51 48.120 -15.091 20.979 353 HD23 LEU 51 HD23 LEU 51 46.999 -14.334 22.105 354 H HIS 52 H HIS 52 44.182 -10.294 20.674 355 HA HIS 52 HA HIS 52 44.505 -8.001 22.408 356 HB2 HIS 52 HB2 HIS 52 43.370 -8.509 19.674 357 HB3 HIS 52 HB3 HIS 52 42.575 -7.224 20.583 358 HD2 HIS 52 HD2 HIS 52 45.418 -6.188 22.022 359 HE1 HIS 52 HE1 HIS 52 46.324 -5.060 18.095 360 HE2 HIS 52 HE2 HIS 52 47.001 -4.888 20.484 361 H ALA 53 H ALA 53 43.488 -10.101 23.841 362 HA ALA 53 HA ALA 53 40.642 -10.225 24.033 363 HB1 ALA 53 HB1 ALA 53 42.765 -11.281 25.938 364 HB2 ALA 53 HB2 ALA 53 42.079 -12.158 24.567 365 HB3 ALA 53 HB3 ALA 53 41.054 -11.723 25.935 366 H ALA 54 H ALA 54 43.183 -8.477 25.737 367 HA ALA 54 HA ALA 54 41.613 -7.536 27.928 368 HB1 ALA 54 HB1 ALA 54 44.177 -6.393 26.764 369 HB2 ALA 54 HB2 ALA 54 44.071 -7.618 28.030 370 HB3 ALA 54 HB3 ALA 54 43.484 -5.983 28.336 371 H GLN 55 H GLN 55 41.805 -6.650 24.627 372 HA GLN 55 HA GLN 55 40.986 -3.882 24.932 373 HB2 GLN 55 HB2 GLN 55 41.330 -5.534 22.407 374 HB3 GLN 55 HB3 GLN 55 41.150 -3.784 22.484 375 HG2 GLN 55 HG2 GLN 55 43.472 -5.316 23.692 376 HG3 GLN 55 HG3 GLN 55 43.493 -4.575 22.097 377 HE21 GLN 55 HE21 GLN 55 45.230 -3.246 22.637 378 HE22 GLN 55 HE22 GLN 55 45.074 -1.887 23.690 379 H VAL 56 H VAL 56 39.369 -6.892 24.770 380 HA VAL 56 HA VAL 56 36.818 -5.511 24.110 381 HB VAL 56 HB VAL 56 35.852 -7.706 23.478 382 HG11 VAL 56 HG11 VAL 56 36.998 -7.995 21.308 383 HG12 VAL 56 HG12 VAL 56 38.367 -7.049 21.895 384 HG13 VAL 56 HG13 VAL 56 36.787 -6.286 21.702 385 HG21 VAL 56 HG21 VAL 56 37.274 -9.712 23.142 386 HG22 VAL 56 HG22 VAL 56 37.261 -9.224 24.835 387 HG23 VAL 56 HG23 VAL 56 38.660 -8.857 23.824 388 H PHE 57 H PHE 57 34.936 -6.475 25.226 389 HA PHE 57 HA PHE 57 35.459 -7.249 28.033 390 HB2 PHE 57 HB2 PHE 57 33.504 -5.062 27.144 391 HB3 PHE 57 HB3 PHE 57 33.785 -5.600 28.797 392 HD1 PHE 57 HD1 PHE 57 35.888 -4.991 29.975 393 HD2 PHE 57 HD2 PHE 57 35.044 -3.508 26.047 394 HE1 PHE 57 HE1 PHE 57 37.622 -3.272 30.245 395 HE2 PHE 57 HE2 PHE 57 36.779 -1.788 26.330 396 HZ PHE 57 HZ PHE 57 38.069 -1.668 28.429 397 HA PRO 58 HA PRO 58 32.112 -9.882 26.140 398 HB2 PRO 58 HB2 PRO 58 33.028 -12.325 26.856 399 HB3 PRO 58 HB3 PRO 58 33.706 -11.445 25.477 400 HG2 PRO 58 HG2 PRO 58 34.798 -11.720 28.269 401 HG3 PRO 58 HG3 PRO 58 35.659 -11.799 26.716 402 HD2 PRO 58 HD2 PRO 58 35.561 -9.535 28.332 403 HD3 PRO 58 HD3 PRO 58 35.857 -9.495 26.581 404 H CYS 59 H CYS 59 30.240 -9.868 27.257 405 HA CYS 59 HA CYS 59 30.014 -10.011 30.104 406 HB2 CYS 59 HB2 CYS 59 28.240 -8.925 28.894 407 HB3 CYS 59 HB3 CYS 59 27.978 -10.333 27.875 408 H LYS 60 H LYS 60 30.517 -11.751 31.231 409 HA LYS 60 HA LYS 60 31.931 -13.757 30.016 410 HB2 LYS 60 HB2 LYS 60 30.827 -13.756 32.849 411 HB3 LYS 60 HB3 LYS 60 32.215 -14.690 32.291 412 HG2 LYS 60 HG2 LYS 60 33.486 -12.635 31.867 413 HG3 LYS 60 HG3 LYS 60 32.082 -11.650 32.275 414 HD2 LYS 60 HD2 LYS 60 33.590 -13.463 34.200 415 HD3 LYS 60 HD3 LYS 60 33.712 -11.706 34.129 416 HE2 LYS 60 HE2 LYS 60 31.330 -11.506 34.726 417 HE3 LYS 60 HE3 LYS 60 31.191 -13.262 34.814 418 HZ1 LYS 60 HZ1 LYS 60 32.965 -11.593 36.506 419 HZ2 LYS 60 HZ2 LYS 60 32.769 -13.271 36.620 420 HZ3 LYS 60 HZ3 LYS 60 31.480 -12.241 36.990 421 H TYR 61 H TYR 61 28.635 -13.966 31.198 422 HA TYR 61 HA TYR 61 28.538 -16.851 31.289 423 HB2 TYR 61 HB2 TYR 61 26.219 -14.899 31.540 424 HB3 TYR 61 HB3 TYR 61 26.295 -16.550 32.148 425 HD1 TYR 61 HD1 TYR 61 27.700 -17.069 34.188 426 HD2 TYR 61 HD2 TYR 61 27.236 -13.047 32.783 427 HE1 TYR 61 HE1 TYR 61 28.567 -16.205 36.321 428 HE2 TYR 61 HE2 TYR 61 28.096 -12.205 34.921 429 HH TYR 61 HH TYR 61 29.593 -14.246 37.222 430 H CYS 62 H CYS 62 28.189 -14.623 28.783 431 HA CYS 62 HA CYS 62 26.918 -16.627 27.032 432 HB2 CYS 62 HB2 CYS 62 25.792 -14.781 25.779 433 HB3 CYS 62 HB3 CYS 62 25.198 -14.924 27.423 434 HA PRO 63 HA PRO 63 30.454 -15.517 24.393 435 HB2 PRO 63 HB2 PRO 63 29.692 -16.579 22.014 436 HB3 PRO 63 HB3 PRO 63 30.129 -17.602 23.390 437 HG2 PRO 63 HG2 PRO 63 27.386 -16.824 22.408 438 HG3 PRO 63 HG3 PRO 63 27.975 -18.423 22.919 439 HD2 PRO 63 HD2 PRO 63 26.517 -16.752 24.559 440 HD3 PRO 63 HD3 PRO 63 27.688 -17.938 25.178 441 H ALA 64 H ALA 64 29.953 -13.245 24.714 442 HA ALA 64 HA ALA 64 29.034 -11.816 22.328 443 HB1 ALA 64 HB1 ALA 64 27.405 -10.441 23.580 444 HB2 ALA 64 HB2 ALA 64 27.703 -11.389 25.041 445 HB3 ALA 64 HB3 ALA 64 26.956 -12.146 23.633 446 H THR 65 H THR 65 30.880 -10.686 21.990 447 HA THR 65 HA THR 65 32.335 -9.417 24.194 448 HB THR 65 HB THR 65 33.915 -8.710 22.260 449 HG1 THR 65 HG1 THR 65 33.695 -9.911 20.350 450 HG21 THR 65 HG21 THR 65 33.554 -11.673 22.795 451 HG22 THR 65 HG22 THR 65 34.453 -10.546 23.809 452 HG23 THR 65 HG23 THR 65 35.021 -10.901 22.175 453 H PHE 66 H PHE 66 32.392 -7.339 24.589 454 HA PHE 66 HA PHE 66 30.968 -5.384 22.853 455 HB2 PHE 66 HB2 PHE 66 31.240 -5.364 25.906 456 HB3 PHE 66 HB3 PHE 66 30.453 -4.112 24.944 457 HD1 PHE 66 HD1 PHE 66 30.168 -7.615 26.166 458 HD2 PHE 66 HD2 PHE 66 28.213 -4.450 24.039 459 HE1 PHE 66 HE1 PHE 66 28.039 -8.832 26.287 460 HE2 PHE 66 HE2 PHE 66 26.090 -5.679 24.173 461 HZ PHE 66 HZ PHE 66 25.999 -7.869 25.296 462 H TYR 67 H TYR 67 32.004 -3.316 22.617 463 HA TYR 67 HA TYR 67 34.903 -3.304 23.215 464 HB2 TYR 67 HB2 TYR 67 33.276 -1.512 21.360 465 HB3 TYR 67 HB3 TYR 67 35.033 -1.494 21.521 466 HD1 TYR 67 HD2 TYR 67 36.342 -3.616 20.851 467 HD2 TYR 67 HD1 TYR 67 32.213 -3.087 19.851 468 HE1 TYR 67 HE2 TYR 67 36.523 -5.374 19.142 469 HE2 TYR 67 HE1 TYR 67 32.401 -4.859 18.160 470 HH TYR 67 HH TYR 67 34.942 -7.010 18.010 471 H SER 68 H SER 68 32.455 -2.589 25.005 472 HA SER 68 HA SER 68 33.645 -0.214 26.247 473 HB2 SER 68 HB2 SER 68 30.651 -0.494 25.710 474 HB3 SER 68 HB3 SER 68 31.435 0.845 26.551 475 HG SER 68 HG SER 68 32.678 0.728 24.295 476 H SER 69 H SER 69 33.702 -0.358 28.436 477 HA SER 69 HA SER 69 32.960 -2.760 29.784 478 HB2 SER 69 HB2 SER 69 33.737 -1.450 31.862 479 HB3 SER 69 HB3 SER 69 34.937 -1.729 30.601 480 HG SER 69 HG SER 69 34.795 0.366 29.991 481 HA PRO 70 HA PRO 70 29.154 -0.113 31.484 482 HB2 PRO 70 HB2 PRO 70 28.148 1.628 29.528 483 HB3 PRO 70 HB3 PRO 70 29.037 2.128 30.972 484 HG2 PRO 70 HG2 PRO 70 30.052 1.709 28.172 485 HG3 PRO 70 HG3 PRO 70 30.449 3.005 29.323 486 HD2 PRO 70 HD2 PRO 70 32.144 0.964 28.910 487 HD3 PRO 70 HD3 PRO 70 31.923 1.634 30.537 488 H GLY 71 H GLY 71 29.736 -0.775 28.018 489 HA2 GLY 71 HA2 GLY 71 27.227 -1.923 27.354 490 HA3 GLY 71 HA3 GLY 71 28.735 -2.187 26.496 491 H LEU 72 H LEU 72 30.176 -3.295 28.659 492 HA LEU 72 HA LEU 72 29.556 -6.033 28.753 493 HB2 LEU 72 HB2 LEU 72 31.792 -5.226 29.183 494 HB3 LEU 72 HB3 LEU 72 31.238 -4.199 30.487 495 HG LEU 72 HG LEU 72 30.826 -6.199 31.898 496 HD11 LEU 72 HD11 LEU 72 31.633 -8.408 31.226 497 HD12 LEU 72 HD12 LEU 72 31.999 -7.794 29.611 498 HD13 LEU 72 HD13 LEU 72 30.329 -7.847 30.181 499 HD21 LEU 72 HD21 LEU 72 33.177 -6.793 32.314 500 HD22 LEU 72 HD22 LEU 72 32.989 -5.061 32.059 501 HD23 LEU 72 HD23 LEU 72 33.642 -6.075 30.768 502 H THR 73 H THR 73 29.038 -3.445 31.143 503 HA THR 73 HA THR 73 27.614 -4.986 33.066 504 HB THR 73 HB THR 73 27.586 -1.948 32.738 505 HG1 THR 73 HG1 THR 73 29.649 -2.137 33.127 506 HG21 THR 73 HG21 THR 73 25.931 -2.805 34.403 507 HG22 THR 73 HG22 THR 73 27.232 -1.912 35.189 508 HG23 THR 73 HG23 THR 73 27.222 -3.676 35.234 509 H ARG 74 H ARG 74 26.614 -3.321 30.154 510 HA ARG 74 HA ARG 74 23.874 -2.966 30.694 511 HB2 ARG 74 HB2 ARG 74 25.397 -3.274 28.100 512 HB3 ARG 74 HB3 ARG 74 23.647 -3.125 28.093 513 HG2 ARG 74 HG2 ARG 74 25.421 -1.052 29.408 514 HG3 ARG 74 HG3 ARG 74 25.038 -0.993 27.692 515 HD2 ARG 74 HD2 ARG 74 23.559 0.499 28.968 516 HD3 ARG 74 HD3 ARG 74 22.644 -0.808 28.219 517 HE ARG 74 HE ARG 74 22.211 -1.733 30.317 518 HH11 ARG 74 HH11 ARG 74 24.174 1.159 30.707 519 HH12 ARG 74 HH12 ARG 74 23.874 1.256 32.411 520 HH21 ARG 74 HH21 ARG 74 21.823 -1.570 32.536 521 HH22 ARG 74 HH22 ARG 74 22.540 -0.274 33.446 522 H HIS 75 H HIS 75 25.578 -5.731 29.098 523 HA HIS 75 HA HIS 75 23.140 -7.205 28.769 524 HB2 HIS 75 HB2 HIS 75 25.498 -7.545 27.540 525 HB3 HIS 75 HB3 HIS 75 25.760 -8.717 28.828 526 HD2 HIS 75 HD2 HIS 75 23.393 -8.062 25.815 527 HE1 HIS 75 HE1 HIS 75 22.591 -11.951 27.171 528 HE2 HIS 75 HE2 HIS 75 22.155 -10.264 25.372 529 H ILE 76 H ILE 76 25.374 -6.857 31.399 530 HA ILE 76 HA ILE 76 24.524 -9.062 32.973 531 HB ILE 76 HB ILE 76 25.664 -6.358 33.802 532 HG12 ILE 76 HG12 ILE 76 27.025 -9.088 33.553 533 HG13 ILE 76 HG13 ILE 76 27.200 -7.755 32.419 534 HG21 ILE 76 HG21 ILE 76 25.289 -8.826 35.541 535 HG22 ILE 76 HG22 ILE 76 24.422 -7.297 35.698 536 HG23 ILE 76 HG23 ILE 76 26.153 -7.361 36.013 537 HD11 ILE 76 HD11 ILE 76 28.283 -6.416 34.156 538 HD12 ILE 76 HD12 ILE 76 29.127 -7.939 33.872 539 HD13 ILE 76 HD13 ILE 76 28.106 -7.750 35.296 540 H ASN 77 H ASN 77 23.570 -5.582 33.262 541 HA ASN 77 HA ASN 77 21.444 -6.115 35.073 542 HB2 ASN 77 HB2 ASN 77 22.129 -3.652 33.429 543 HB3 ASN 77 HB3 ASN 77 20.803 -3.686 34.583 544 HD21 ASN 77 HD21 ASN 77 24.009 -5.207 35.044 545 HD22 ASN 77 HD22 ASN 77 24.460 -4.209 36.371 546 H LYS 78 H LYS 78 21.580 -6.522 31.701 547 HA LYS 78 HA LYS 78 18.726 -6.113 31.177 548 HB2 LYS 78 HB2 LYS 78 20.438 -5.338 29.551 549 HB3 LYS 78 HB3 LYS 78 21.005 -6.990 29.352 550 HG2 LYS 78 HG2 LYS 78 18.716 -7.580 28.452 551 HG3 LYS 78 HG3 LYS 78 18.316 -5.859 28.502 552 HD2 LYS 78 HD2 LYS 78 20.228 -5.395 26.970 553 HD3 LYS 78 HD3 LYS 78 20.578 -7.124 26.907 554 HE2 LYS 78 HE2 LYS 78 18.330 -7.515 25.926 555 HE3 LYS 78 HE3 LYS 78 18.047 -5.774 25.925 556 HZ1 LYS 78 HZ1 LYS 78 18.781 -6.536 23.778 557 HZ2 LYS 78 HZ2 LYS 78 20.194 -7.188 24.443 558 HZ3 LYS 78 HZ3 LYS 78 19.944 -5.514 24.455 559 H CYS 79 H CYS 79 21.111 -8.804 30.764 560 HA CYS 79 HA CYS 79 18.942 -10.803 30.982 561 HB2 CYS 79 HB2 CYS 79 20.846 -10.568 28.618 562 HB3 CYS 79 HB3 CYS 79 19.735 -11.911 28.880 563 HG CYS 79 HG CYS 79 17.439 -10.498 28.443 564 H HIS 80 H HIS 80 21.774 -9.948 32.277 565 HA HIS 80 HA HIS 80 22.232 -12.670 33.226 566 HB2 HIS 80 HB2 HIS 80 24.316 -11.130 31.659 567 HB3 HIS 80 HB3 HIS 80 24.884 -12.087 33.034 568 HD2 HIS 80 HD2 HIS 80 23.259 -14.728 32.824 569 HE1 HIS 80 HE1 HIS 80 24.238 -14.912 28.756 570 HE2 HIS 80 HE2 HIS 80 23.274 -16.159 30.692 571 HA PRO 81 HA PRO 81 22.672 -9.456 36.571 572 HB2 PRO 81 HB2 PRO 81 20.171 -8.862 37.313 573 HB3 PRO 81 HB3 PRO 81 20.800 -8.240 35.779 574 HG2 PRO 81 HG2 PRO 81 18.829 -10.429 36.259 575 HG3 PRO 81 HG3 PRO 81 18.975 -9.335 34.872 576 HD2 PRO 81 HD2 PRO 81 20.029 -12.033 35.128 577 HD3 PRO 81 HD3 PRO 81 20.153 -10.941 33.731 578 H SER 82 H SER 82 20.987 -9.603 38.848 579 HA SER 82 HA SER 82 20.620 -10.696 40.783 580 HB2 SER 82 HB2 SER 82 20.304 -13.192 39.040 581 HB3 SER 82 HB3 SER 82 19.717 -13.009 40.696 582 HG SER 82 HG SER 82 18.722 -11.965 38.314 583 H GLU 83 H GLU 83 23.288 -10.359 39.773 584 HA GLU 83 HA GLU 83 24.803 -12.759 40.343 585 HB2 GLU 83 HB2 GLU 83 26.633 -10.572 39.869 586 HB3 GLU 83 HB3 GLU 83 26.313 -11.962 38.853 587 HG2 GLU 83 HG2 GLU 83 26.045 -10.037 37.497 588 HG3 GLU 83 HG3 GLU 83 24.424 -10.664 37.787 589 H ASN 84 H ASN 84 23.843 -12.630 42.503 590 HA ASN 84 HA ASN 84 25.462 -12.174 44.640 591 HB2 ASN 84 HB2 ASN 84 25.286 -9.723 44.263 592 HB3 ASN 84 HB3 ASN 84 23.525 -9.824 44.227 593 HD21 ASN 84 HD21 ASN 84 22.405 -10.120 46.214 594 HD22 ASN 84 HD22 ASN 84 23.167 -9.845 47.742 595 H ARG 85 H ARG 85 22.130 -11.542 43.612 596 HA ARG 85 HA ARG 85 20.119 -12.430 43.974 597 HB2 ARG 85 HB2 ARG 85 21.289 -14.548 43.353 598 HB3 ARG 85 HB3 ARG 85 21.605 -14.857 45.055 599 HG2 ARG 85 HG2 ARG 85 19.171 -15.016 45.479 600 HG3 ARG 85 HG3 ARG 85 18.851 -14.707 43.766 601 HD2 ARG 85 HD2 ARG 85 18.730 -17.111 44.275 602 HD3 ARG 85 HD3 ARG 85 20.064 -16.774 43.165 603 HE ARG 85 HE ARG 85 20.596 -16.992 46.062 604 HH11 ARG 85 HH11 ARG 85 21.106 -18.313 42.842 605 HH12 ARG 85 HH12 ARG 85 22.320 -19.431 43.376 606 HH21 ARG 85 HH21 ARG 85 22.180 -18.462 46.728 607 HH22 ARG 85 HH22 ARG 85 22.925 -19.519 45.569 Start of MODEL 7 1 H1 MET 1 H1 MET 1 75.465 -46.789 4.491 2 H2 MET 1 H2 MET 1 76.925 -47.342 3.849 3 H3 MET 1 H3 MET 1 76.925 -46.102 4.992 4 HA MET 1 HA MET 1 76.032 -48.872 5.465 5 HB2 MET 1 HB2 MET 1 78.464 -48.782 5.122 6 HB3 MET 1 HB3 MET 1 78.622 -47.460 6.267 7 HG2 MET 1 HG2 MET 1 77.972 -48.943 8.102 8 HG3 MET 1 HG3 MET 1 77.720 -50.269 6.966 9 HE1 MET 1 HE1 MET 1 79.672 -51.531 5.683 10 HE2 MET 1 HE2 MET 1 81.368 -51.064 5.786 11 HE3 MET 1 HE3 MET 1 80.216 -50.012 4.966 12 H GLY 2 H GLY 2 75.376 -49.297 7.624 13 HA2 GLY 2 HA2 GLY 2 74.974 -48.674 9.894 14 HA3 GLY 2 HA3 GLY 2 74.942 -46.983 9.419 15 H HIS 3 H HIS 3 73.280 -49.861 8.106 16 HA HIS 3 HA HIS 3 70.729 -48.558 7.965 17 HB2 HIS 3 HB2 HIS 3 71.384 -50.353 6.364 18 HB3 HIS 3 HB3 HIS 3 71.426 -51.525 7.675 19 HD1 HIS 3 HD1 HIS 3 69.088 -49.746 5.377 20 HD2 HIS 3 HD2 HIS 3 68.826 -52.337 8.612 21 HE1 HIS 3 HE1 HIS 3 66.723 -50.558 5.398 22 HE2 HIS 3 HE2 HIS 3 66.548 -51.978 7.470 23 H HIS 4 H HIS 4 70.330 -47.861 10.060 24 HA HIS 4 HA HIS 4 69.804 -49.822 12.192 25 HB2 HIS 4 HB2 HIS 4 69.719 -46.766 12.168 26 HB3 HIS 4 HB3 HIS 4 69.349 -47.755 13.578 27 HD1 HIS 4 HD1 HIS 4 72.231 -46.685 11.403 28 HD2 HIS 4 HD2 HIS 4 71.594 -48.732 14.958 29 HE1 HIS 4 HE1 HIS 4 74.499 -47.020 12.403 30 HE2 HIS 4 HE2 HIS 4 74.102 -48.382 14.479 31 H HIS 5 H HIS 5 68.101 -46.972 10.856 32 HA HIS 5 HA HIS 5 65.995 -46.546 10.175 33 HB2 HIS 5 HB2 HIS 5 66.737 -48.336 8.525 34 HB3 HIS 5 HB3 HIS 5 65.870 -49.519 9.487 35 HD1 HIS 5 HD1 HIS 5 63.328 -49.644 9.178 36 HD2 HIS 5 HD2 HIS 5 65.084 -46.539 7.040 37 HE1 HIS 5 HE1 HIS 5 61.551 -48.801 7.616 38 HE2 HIS 5 HE2 HIS 5 62.595 -46.842 6.431 39 H HIS 6 H HIS 6 66.410 -47.494 12.996 40 HA HIS 6 HA HIS 6 63.915 -48.939 13.638 41 HB2 HIS 6 HB2 HIS 6 66.119 -49.928 14.334 42 HB3 HIS 6 HB3 HIS 6 66.405 -48.526 15.354 43 HD1 HIS 6 HD1 HIS 6 65.253 -48.489 17.631 44 HD2 HIS 6 HD2 HIS 6 64.068 -51.696 15.269 45 HE1 HIS 6 HE1 HIS 6 63.956 -50.001 19.146 46 HE2 HIS 6 HE2 HIS 6 63.123 -51.856 17.664 47 H HIS 7 H HIS 7 62.426 -47.279 13.714 48 HA HIS 7 HA HIS 7 62.483 -45.622 16.150 49 HB2 HIS 7 HB2 HIS 7 61.889 -44.497 13.360 50 HB3 HIS 7 HB3 HIS 7 61.404 -43.687 14.846 51 HD1 HIS 7 HD1 HIS 7 63.377 -42.805 16.397 52 HD2 HIS 7 HD2 HIS 7 64.511 -44.025 12.591 53 HE1 HIS 7 HE1 HIS 7 65.654 -41.847 16.038 54 HE2 HIS 7 HE2 HIS 7 66.336 -42.615 13.738 55 H HIS 8 H HIS 8 60.966 -46.916 17.098 56 HA HIS 8 HA HIS 8 58.355 -47.309 15.769 57 HB2 HIS 8 HB2 HIS 8 59.490 -49.333 16.685 58 HB3 HIS 8 HB3 HIS 8 59.477 -48.611 18.289 59 HD1 HIS 8 HD1 HIS 8 57.742 -49.749 19.659 60 HD2 HIS 8 HD2 HIS 8 56.510 -49.301 15.716 61 HE1 HIS 8 HE1 HIS 8 55.412 -50.676 19.571 62 HE2 HIS 8 HE2 HIS 8 54.640 -50.262 17.209 63 H SER 9 H SER 9 57.632 -45.174 16.002 64 HA SER 9 HA SER 9 56.645 -44.405 18.648 65 HB2 SER 9 HB2 SER 9 57.603 -42.051 18.321 66 HB3 SER 9 HB3 SER 9 58.788 -43.309 18.685 67 HG SER 9 HG SER 9 59.503 -43.265 16.634 68 H HIS 10 H HIS 10 54.538 -44.504 18.038 69 HA HIS 10 HA HIS 10 53.564 -43.170 15.633 70 HB2 HIS 10 HB2 HIS 10 52.505 -45.294 16.229 71 HB3 HIS 10 HB3 HIS 10 52.097 -44.693 17.832 72 HD1 HIS 10 HD1 HIS 10 49.651 -44.216 17.959 73 HD2 HIS 10 HD2 HIS 10 51.179 -43.279 14.201 74 HE1 HIS 10 HE1 HIS 10 47.724 -43.281 16.647 75 HE2 HIS 10 HE2 HIS 10 48.650 -42.792 14.362 76 H MET 11 H MET 11 53.427 -42.804 19.156 77 HA MET 11 HA MET 11 51.695 -40.560 19.245 78 HB2 MET 11 HB2 MET 11 52.078 -42.065 21.176 79 HB3 MET 11 HB3 MET 11 53.742 -41.518 21.286 80 HG2 MET 11 HG2 MET 11 52.924 -39.230 21.826 81 HG3 MET 11 HG3 MET 11 51.270 -39.843 21.779 82 HE1 MET 11 HE1 MET 11 54.396 -41.249 24.902 83 HE2 MET 11 HE2 MET 11 54.759 -40.058 23.653 84 HE3 MET 11 HE3 MET 11 54.467 -41.742 23.210 85 H GLY 12 H GLY 12 52.319 -38.947 17.913 86 HA2 GLY 12 HA2 GLY 12 54.377 -37.115 18.745 87 HA3 GLY 12 HA3 GLY 12 54.744 -37.916 17.215 88 H ASP 13 H ASP 13 51.700 -36.803 18.629 89 HA ASP 13 HA ASP 13 51.031 -35.372 16.129 90 HB2 ASP 13 HB2 ASP 13 49.497 -37.210 16.932 91 HB3 ASP 13 HB3 ASP 13 49.181 -36.274 18.388 92 H GLY 14 H GLY 14 50.659 -33.189 16.157 93 HA2 GLY 14 HA2 GLY 14 49.650 -31.509 18.012 94 HA3 GLY 14 HA3 GLY 14 51.321 -31.661 18.549 95 H GLU 15 H GLU 15 49.616 -31.265 15.426 96 HA GLU 15 HA GLU 15 51.670 -29.623 14.289 97 HB2 GLU 15 HB2 GLU 15 50.209 -31.017 12.854 98 HB3 GLU 15 HB3 GLU 15 48.802 -30.085 13.351 99 HG2 GLU 15 HG2 GLU 15 49.807 -28.052 12.295 100 HG3 GLU 15 HG3 GLU 15 51.172 -29.029 11.755 101 H GLY 16 H GLY 16 51.937 -27.517 14.489 102 HA2 GLY 16 HA2 GLY 16 49.805 -25.617 14.883 103 HA3 GLY 16 HA3 GLY 16 50.831 -25.826 16.304 104 H ALA 17 H ALA 17 50.396 -23.691 14.111 105 HA ALA 17 HA ALA 17 53.137 -22.732 14.105 106 HB1 ALA 17 HB1 ALA 17 53.225 -22.323 11.672 107 HB2 ALA 17 HB2 ALA 17 51.681 -23.152 11.463 108 HB3 ALA 17 HB3 ALA 17 53.097 -24.052 12.011 109 H GLY 18 H GLY 18 52.075 -21.316 15.573 110 HA2 GLY 18 HA2 GLY 18 49.892 -19.597 14.734 111 HA3 GLY 18 HA3 GLY 18 50.738 -19.568 16.272 112 H VAL 19 H VAL 19 51.732 -19.095 12.882 113 HA VAL 19 HA VAL 19 53.007 -16.516 13.577 114 HB VAL 19 HB VAL 19 54.759 -17.029 11.846 115 HG11 VAL 19 HG11 VAL 19 56.077 -18.628 13.192 116 HG12 VAL 19 HG12 VAL 19 54.629 -19.058 14.106 117 HG13 VAL 19 HG13 VAL 19 55.285 -17.422 14.208 118 HG21 VAL 19 HG21 VAL 19 53.561 -19.833 11.830 119 HG22 VAL 19 HG22 VAL 19 55.058 -19.353 11.027 120 HG23 VAL 19 HG23 VAL 19 53.519 -18.680 10.492 121 H LEU 20 H LEU 20 53.246 -15.092 11.732 122 HA LEU 20 HA LEU 20 51.149 -15.392 9.662 123 HB2 LEU 20 HB2 LEU 20 51.401 -12.870 9.431 124 HB3 LEU 20 HB3 LEU 20 50.682 -13.452 10.916 125 HG LEU 20 HG LEU 20 53.106 -13.164 11.922 126 HD11 LEU 20 HD11 LEU 20 54.431 -11.350 10.957 127 HD12 LEU 20 HD12 LEU 20 53.331 -11.265 9.578 128 HD13 LEU 20 HD13 LEU 20 54.303 -12.714 9.846 129 HD21 LEU 20 HD21 LEU 20 51.180 -11.864 12.675 130 HD22 LEU 20 HD22 LEU 20 51.373 -10.747 11.322 131 HD23 LEU 20 HD23 LEU 20 52.614 -10.844 12.574 132 H GLY 21 H GLY 21 51.684 -14.765 7.460 133 HA2 GLY 21 HA2 GLY 21 54.290 -14.160 6.540 134 HA3 GLY 21 HA3 GLY 21 54.064 -15.906 6.510 135 H LEU 22 H LEU 22 51.631 -13.437 5.920 136 HA LEU 22 HA LEU 22 51.573 -13.904 3.037 137 HB2 LEU 22 HB2 LEU 22 50.032 -15.576 4.551 138 HB3 LEU 22 HB3 LEU 22 48.929 -14.224 4.477 139 HG LEU 22 HG LEU 22 50.030 -15.656 2.024 140 HD11 LEU 22 HD11 LEU 22 47.342 -16.055 3.363 141 HD12 LEU 22 HD12 LEU 22 48.670 -17.216 3.310 142 HD13 LEU 22 HD13 LEU 22 47.842 -16.762 1.822 143 HD21 LEU 22 HD21 LEU 22 49.283 -13.377 1.500 144 HD22 LEU 22 HD22 LEU 22 47.715 -13.706 2.237 145 HD23 LEU 22 HD23 LEU 22 48.206 -14.573 0.779 146 H SER 23 H SER 23 50.502 -12.161 1.960 147 HA SER 23 HA SER 23 50.550 -9.605 3.141 148 HB2 SER 23 HB2 SER 23 50.863 -9.983 0.715 149 HB3 SER 23 HB3 SER 23 49.196 -10.540 0.566 150 HG SER 23 HG SER 23 49.342 -8.087 1.739 151 H ALA 24 H ALA 24 47.942 -11.870 2.480 152 HA ALA 24 HA ALA 24 45.904 -12.254 3.303 153 HB1 ALA 24 HB1 ALA 24 46.871 -11.847 5.529 154 HB2 ALA 24 HB2 ALA 24 45.193 -11.306 5.450 155 HB3 ALA 24 HB3 ALA 24 46.504 -10.126 5.378 156 H SER 25 H SER 25 43.719 -11.162 3.745 157 HA SER 25 HA SER 25 43.201 -9.517 1.397 158 HB2 SER 25 HB2 SER 25 40.772 -10.094 2.005 159 HB3 SER 25 HB3 SER 25 41.821 -11.453 1.601 160 HG SER 25 HG SER 25 41.138 -10.574 4.215 161 H ALA 26 H ALA 26 43.561 -7.395 1.778 162 HA ALA 26 HA ALA 26 42.845 -6.001 4.194 163 HB1 ALA 26 HB1 ALA 26 43.698 -4.019 2.998 164 HB2 ALA 26 HB2 ALA 26 43.777 -4.944 1.496 165 HB3 ALA 26 HB3 ALA 26 44.817 -5.375 2.855 166 H GLU 27 H GLU 27 41.692 -3.765 3.746 167 HA GLU 27 HA GLU 27 39.972 -2.461 3.161 168 HB2 GLU 27 HB2 GLU 27 39.208 -4.540 1.058 169 HB3 GLU 27 HB3 GLU 27 38.493 -2.936 1.213 170 HG2 GLU 27 HG2 GLU 27 40.666 -1.898 0.710 171 HG3 GLU 27 HG3 GLU 27 41.411 -3.491 0.596 172 H CYS 28 H CYS 28 38.977 -5.880 3.291 173 HA CYS 28 HA CYS 28 36.275 -5.466 3.906 174 HB2 CYS 28 HB2 CYS 28 37.146 -7.551 2.943 175 HB3 CYS 28 HB3 CYS 28 38.017 -7.886 4.437 176 HG CYS 28 HG CYS 28 34.670 -7.484 4.688 177 H HIS 29 H HIS 29 38.768 -6.772 6.116 178 HA HIS 29 HA HIS 29 37.514 -5.478 8.451 179 HB2 HIS 29 HB2 HIS 29 38.020 -8.472 8.127 180 HB3 HIS 29 HB3 HIS 29 37.805 -7.718 9.705 181 HD1 HIS 29 HD1 HIS 29 35.902 -9.491 7.243 182 HD2 HIS 29 HD2 HIS 29 35.126 -6.270 9.761 183 HE1 HIS 29 HE1 HIS 29 33.405 -9.362 7.440 184 HE2 HIS 29 HE2 HIS 29 32.969 -7.265 8.751 185 H LEU 30 H LEU 30 38.970 -4.882 10.002 186 HA LEU 30 HA LEU 30 41.738 -5.921 9.954 187 HB2 LEU 30 HB2 LEU 30 41.026 -2.991 10.413 188 HB3 LEU 30 HB3 LEU 30 42.638 -3.683 10.426 189 HG LEU 30 HG LEU 30 40.855 -3.387 7.975 190 HD11 LEU 30 HD11 LEU 30 42.452 -1.678 7.241 191 HD12 LEU 30 HD12 LEU 30 43.346 -1.846 8.752 192 HD13 LEU 30 HD13 LEU 30 41.694 -1.224 8.766 193 HD21 LEU 30 HD21 LEU 30 42.825 -4.059 6.653 194 HD22 LEU 30 HD22 LEU 30 42.299 -5.351 7.727 195 HD23 LEU 30 HD23 LEU 30 43.719 -4.384 8.142 196 H CYS 31 H CYS 31 42.480 -6.406 12.062 197 HA CYS 31 HA CYS 31 40.779 -6.398 14.316 198 HB2 CYS 31 HB2 CYS 31 42.788 -7.843 14.184 199 HB3 CYS 31 HB3 CYS 31 43.825 -6.428 14.263 200 HA PRO 32 HA PRO 32 40.437 -1.880 14.627 201 HB2 PRO 32 HB2 PRO 32 39.553 -2.560 17.437 202 HB3 PRO 32 HB3 PRO 32 38.807 -1.478 16.251 203 HG2 PRO 32 HG2 PRO 32 37.785 -3.902 16.667 204 HG3 PRO 32 HG3 PRO 32 37.889 -3.247 15.016 205 HD2 PRO 32 HD2 PRO 32 39.603 -5.326 16.341 206 HD3 PRO 32 HD3 PRO 32 39.064 -5.213 14.658 207 H VAL 33 H VAL 33 42.062 -3.674 17.217 208 HA VAL 33 HA VAL 33 43.284 -1.315 18.380 209 HB VAL 33 HB VAL 33 44.101 -4.154 19.085 210 HG11 VAL 33 HG11 VAL 33 44.417 -3.206 21.339 211 HG12 VAL 33 HG12 VAL 33 43.832 -1.639 20.774 212 HG13 VAL 33 HG13 VAL 33 45.339 -2.298 20.137 213 HG21 VAL 33 HG21 VAL 33 41.578 -2.798 20.097 214 HG22 VAL 33 HG22 VAL 33 42.238 -4.327 20.686 215 HG23 VAL 33 HG23 VAL 33 41.640 -4.200 19.030 216 H CYS 34 H CYS 34 44.230 -3.871 16.141 217 HA CYS 34 HA CYS 34 46.738 -2.475 15.524 218 HB2 CYS 34 HB2 CYS 34 48.146 -4.401 15.664 219 HB3 CYS 34 HB3 CYS 34 47.242 -4.389 17.167 220 H GLY 35 H GLY 35 46.507 -2.006 13.404 221 HA2 GLY 35 HA2 GLY 35 44.616 -3.034 11.643 222 HA3 GLY 35 HA3 GLY 35 46.075 -2.180 11.156 223 H GLU 36 H GLU 36 44.413 -5.045 10.892 224 HA GLU 36 HA GLU 36 46.682 -6.546 9.811 225 HB2 GLU 36 HB2 GLU 36 46.498 -7.140 12.277 226 HB3 GLU 36 HB3 GLU 36 44.877 -7.749 11.970 227 HG2 GLU 36 HG2 GLU 36 46.352 -9.626 12.039 228 HG3 GLU 36 HG3 GLU 36 45.876 -9.401 10.357 229 H SER 37 H SER 37 46.039 -7.489 7.964 230 HA SER 37 HA SER 37 43.444 -6.878 6.960 231 HB2 SER 37 HB2 SER 37 45.729 -8.451 5.723 232 HB3 SER 37 HB3 SER 37 44.321 -7.831 4.858 233 HG SER 37 HG SER 37 46.506 -6.475 5.923 234 H PHE 38 H PHE 38 41.646 -8.038 7.107 235 HA PHE 38 HA PHE 38 41.663 -10.992 7.088 236 HB2 PHE 38 HB2 PHE 38 39.948 -9.300 8.977 237 HB3 PHE 38 HB3 PHE 38 39.859 -11.048 8.810 238 HD1 PHE 38 HD2 PHE 38 42.459 -12.116 9.067 239 HD2 PHE 38 HD1 PHE 38 40.863 -8.644 11.004 240 HE1 PHE 38 HE2 PHE 38 44.070 -12.393 10.906 241 HE2 PHE 38 HE1 PHE 38 42.483 -8.931 12.829 242 HZ PHE 38 HZ PHE 38 44.083 -10.803 12.790 243 H ALA 39 H ALA 39 39.946 -11.877 5.917 244 HA ALA 39 HA ALA 39 37.845 -10.096 4.818 245 HB1 ALA 39 HB1 ALA 39 37.354 -11.947 3.240 246 HB2 ALA 39 HB2 ALA 39 38.628 -12.922 3.986 247 HB3 ALA 39 HB3 ALA 39 39.037 -11.434 3.135 248 H SER 40 H SER 40 38.386 -13.190 6.435 249 HA SER 40 HA SER 40 35.707 -13.815 7.056 250 HB2 SER 40 HB2 SER 40 37.428 -15.537 7.064 251 HB3 SER 40 HB3 SER 40 38.326 -14.699 8.328 252 HG SER 40 HG SER 40 35.915 -16.131 8.491 253 H LYS 41 H LYS 41 34.390 -13.112 8.630 254 HA LYS 41 HA LYS 41 35.145 -11.088 10.502 255 HB2 LYS 41 HB2 LYS 41 32.851 -11.316 11.377 256 HB3 LYS 41 HB3 LYS 41 32.861 -11.179 9.625 257 HG2 LYS 41 HG2 LYS 41 32.544 -13.637 9.444 258 HG3 LYS 41 HG3 LYS 41 32.477 -13.748 11.204 259 HD2 LYS 41 HD2 LYS 41 30.454 -12.309 11.211 260 HD3 LYS 41 HD3 LYS 41 30.533 -12.194 9.450 261 HE2 LYS 41 HE2 LYS 41 30.185 -14.625 9.263 262 HE3 LYS 41 HE3 LYS 41 30.132 -14.767 11.021 263 HZ1 LYS 41 HZ1 LYS 41 28.163 -13.361 11.020 264 HZ2 LYS 41 HZ2 LYS 41 27.929 -14.743 10.074 265 HZ3 LYS 41 HZ3 LYS 41 28.223 -13.258 9.332 266 H GLY 42 H GLY 42 35.059 -14.578 10.552 267 HA2 GLY 42 HA2 GLY 42 35.273 -14.996 13.371 268 HA3 GLY 42 HA3 GLY 42 35.717 -16.130 12.109 269 H ALA 43 H ALA 43 37.641 -14.563 10.774 270 HA ALA 43 HA ALA 43 39.985 -14.865 12.415 271 HB1 ALA 43 HB1 ALA 43 41.216 -14.048 10.451 272 HB2 ALA 43 HB2 ALA 43 39.698 -13.587 9.674 273 HB3 ALA 43 HB3 ALA 43 40.042 -15.286 9.986 274 H GLN 44 H GLN 44 37.949 -12.175 11.402 275 HA GLN 44 HA GLN 44 39.414 -9.968 12.335 276 HB2 GLN 44 HB2 GLN 44 37.477 -9.617 10.978 277 HB3 GLN 44 HB3 GLN 44 36.450 -10.540 12.061 278 HG2 GLN 44 HG2 GLN 44 35.897 -8.208 12.208 279 HG3 GLN 44 HG3 GLN 44 36.598 -8.720 13.738 280 HE21 GLN 44 HE21 GLN 44 38.663 -7.920 14.301 281 HE22 GLN 44 HE22 GLN 44 39.301 -6.520 13.525 282 H GLU 45 H GLU 45 36.971 -11.933 14.020 283 HA GLU 45 HA GLU 45 37.342 -10.664 16.569 284 HB2 GLU 45 HB2 GLU 45 35.900 -13.261 15.913 285 HB3 GLU 45 HB3 GLU 45 35.738 -12.333 17.400 286 HG2 GLU 45 HG2 GLU 45 34.904 -11.420 14.638 287 HG3 GLU 45 HG3 GLU 45 33.822 -12.023 15.881 288 H ARG 46 H ARG 46 38.987 -13.180 14.918 289 HA ARG 46 HA ARG 46 39.756 -14.900 16.985 290 HB2 ARG 46 HB2 ARG 46 40.021 -15.433 14.580 291 HB3 ARG 46 HB3 ARG 46 41.280 -14.215 14.442 292 HG2 ARG 46 HG2 ARG 46 42.267 -16.437 14.548 293 HG3 ARG 46 HG3 ARG 46 42.713 -15.505 15.979 294 HD2 ARG 46 HD2 ARG 46 42.166 -17.793 16.606 295 HD3 ARG 46 HD3 ARG 46 40.974 -16.682 17.279 296 HE ARG 46 HE ARG 46 39.458 -17.373 15.460 297 HH11 ARG 46 HH11 ARG 46 42.148 -19.511 16.186 298 HH12 ARG 46 HH12 ARG 46 41.326 -20.924 15.606 299 HH21 ARG 46 HH21 ARG 46 38.405 -19.235 14.700 300 HH22 ARG 46 HH22 ARG 46 39.215 -20.767 14.758 301 H HIS 47 H HIS 47 41.569 -12.071 15.637 302 HA HIS 47 HA HIS 47 43.696 -12.306 17.545 303 HB2 HIS 47 HB2 HIS 47 43.631 -10.911 15.221 304 HB3 HIS 47 HB3 HIS 47 43.211 -9.581 16.299 305 HD2 HIS 47 HD2 HIS 47 46.072 -12.202 15.802 306 HE1 HIS 47 HE1 HIS 47 47.630 -9.081 18.144 307 HE2 HIS 47 HE2 HIS 47 48.173 -11.140 16.817 308 H LEU 48 H LEU 48 40.628 -10.706 17.481 309 HA LEU 48 HA LEU 48 41.019 -8.946 19.678 310 HB2 LEU 48 HB2 LEU 48 38.559 -9.992 18.270 311 HB3 LEU 48 HB3 LEU 48 38.437 -8.916 19.651 312 HG LEU 48 HG LEU 48 39.799 -8.248 17.014 313 HD11 LEU 48 HD11 LEU 48 37.193 -7.229 18.183 314 HD12 LEU 48 HD12 LEU 48 37.353 -8.322 16.807 315 HD13 LEU 48 HD13 LEU 48 37.947 -6.666 16.689 316 HD21 LEU 48 HD21 LEU 48 39.387 -6.516 19.488 317 HD22 LEU 48 HD22 LEU 48 40.012 -5.954 17.940 318 HD23 LEU 48 HD23 LEU 48 40.934 -7.118 18.882 319 H ARG 49 H ARG 49 39.800 -12.283 19.468 320 HA ARG 49 HA ARG 49 38.945 -12.292 22.241 321 HB2 ARG 49 HB2 ARG 49 38.111 -14.490 21.895 322 HB3 ARG 49 HB3 ARG 49 37.763 -13.611 20.414 323 HG2 ARG 49 HG2 ARG 49 39.466 -14.775 19.197 324 HG3 ARG 49 HG3 ARG 49 40.185 -15.416 20.675 325 HD2 ARG 49 HD2 ARG 49 37.547 -16.206 19.413 326 HD3 ARG 49 HD3 ARG 49 38.975 -17.217 19.646 327 HE ARG 49 HE ARG 49 36.898 -16.655 21.550 328 HH11 ARG 49 HH11 ARG 49 40.261 -17.658 21.323 329 HH12 ARG 49 HH12 ARG 49 40.336 -18.210 22.963 330 HH21 ARG 49 HH21 ARG 49 36.999 -17.405 23.677 331 HH22 ARG 49 HH22 ARG 49 38.469 -18.086 24.299 332 H LEU 50 H LEU 50 41.797 -13.121 20.433 333 HA LEU 50 HA LEU 50 42.942 -14.691 22.644 334 HB2 LEU 50 HB2 LEU 50 43.857 -14.279 19.781 335 HB3 LEU 50 HB3 LEU 50 44.813 -15.140 20.974 336 HG LEU 50 HG LEU 50 42.054 -15.988 20.001 337 HD11 LEU 50 HD11 LEU 50 44.780 -17.176 19.401 338 HD12 LEU 50 HD12 LEU 50 43.759 -16.295 18.264 339 HD13 LEU 50 HD13 LEU 50 43.227 -17.851 18.896 340 HD21 LEU 50 HD21 LEU 50 42.417 -16.678 22.330 341 HD22 LEU 50 HD22 LEU 50 43.967 -17.402 21.894 342 HD23 LEU 50 HD23 LEU 50 42.466 -18.075 21.256 343 H LEU 51 H LEU 51 44.521 -12.388 20.408 344 HA LEU 51 HA LEU 51 46.410 -11.769 22.571 345 HB2 LEU 51 HB2 LEU 51 46.597 -11.263 19.585 346 HB3 LEU 51 HB3 LEU 51 47.887 -11.003 20.753 347 HG LEU 51 HG LEU 51 46.677 -13.713 20.054 348 HD11 LEU 51 HD11 LEU 51 49.387 -12.573 19.316 349 HD12 LEU 51 HD12 LEU 51 48.037 -12.850 18.213 350 HD13 LEU 51 HD13 LEU 51 48.830 -14.216 18.992 351 HD21 LEU 51 HD21 LEU 51 49.006 -13.061 21.900 352 HD22 LEU 51 HD22 LEU 51 48.496 -14.679 21.421 353 HD23 LEU 51 HD23 LEU 51 47.425 -13.677 22.393 354 H HIS 52 H HIS 52 43.675 -10.362 21.430 355 HA HIS 52 HA HIS 52 44.453 -7.800 22.584 356 HB2 HIS 52 HB2 HIS 52 43.559 -8.158 19.739 357 HB3 HIS 52 HB3 HIS 52 42.754 -6.849 20.612 358 HD2 HIS 52 HD2 HIS 52 45.416 -5.972 22.379 359 HE1 HIS 52 HE1 HIS 52 47.014 -5.030 18.621 360 HE2 HIS 52 HE2 HIS 52 47.336 -4.853 21.092 361 H ALA 53 H ALA 53 43.239 -9.949 23.713 362 HA ALA 53 HA ALA 53 40.414 -9.721 23.973 363 HB1 ALA 53 HB1 ALA 53 40.683 -11.247 25.869 364 HB2 ALA 53 HB2 ALA 53 42.431 -10.996 25.849 365 HB3 ALA 53 HB3 ALA 53 41.635 -11.790 24.487 366 H ALA 54 H ALA 54 42.965 -7.838 25.156 367 HA ALA 54 HA ALA 54 41.966 -6.901 27.629 368 HB1 ALA 54 HB1 ALA 54 44.334 -6.761 26.958 369 HB2 ALA 54 HB2 ALA 54 43.703 -5.177 27.406 370 HB3 ALA 54 HB3 ALA 54 43.915 -5.594 25.704 371 H GLN 55 H GLN 55 41.047 -6.138 24.370 372 HA GLN 55 HA GLN 55 39.757 -3.597 25.201 373 HB2 GLN 55 HB2 GLN 55 40.630 -4.534 22.442 374 HB3 GLN 55 HB3 GLN 55 39.699 -3.066 22.732 375 HG2 GLN 55 HG2 GLN 55 42.472 -3.625 23.830 376 HG3 GLN 55 HG3 GLN 55 42.115 -2.615 22.431 377 HE21 GLN 55 HE21 GLN 55 43.436 -1.930 24.973 378 HE22 GLN 55 HE22 GLN 55 42.527 -0.629 25.652 379 H VAL 56 H VAL 56 39.070 -6.827 24.224 380 HA VAL 56 HA VAL 56 36.239 -6.151 23.728 381 HB VAL 56 HB VAL 56 35.884 -8.477 23.083 382 HG11 VAL 56 HG11 VAL 56 38.307 -7.305 21.683 383 HG12 VAL 56 HG12 VAL 56 36.615 -6.946 21.329 384 HG13 VAL 56 HG13 VAL 56 37.254 -8.563 21.028 385 HG21 VAL 56 HG21 VAL 56 37.449 -9.632 24.580 386 HG22 VAL 56 HG22 VAL 56 38.818 -8.966 23.690 387 HG23 VAL 56 HG23 VAL 56 37.734 -10.116 22.906 388 H PHE 57 H PHE 57 34.607 -7.143 24.955 389 HA PHE 57 HA PHE 57 35.314 -8.043 27.672 390 HB2 PHE 57 HB2 PHE 57 33.355 -5.793 27.013 391 HB3 PHE 57 HB3 PHE 57 33.630 -6.469 28.614 392 HD1 PHE 57 HD2 PHE 57 35.809 -6.064 29.790 393 HD2 PHE 57 HD1 PHE 57 34.897 -4.176 26.062 394 HE1 PHE 57 HE2 PHE 57 37.617 -4.435 30.163 395 HE2 PHE 57 HE1 PHE 57 36.713 -2.562 26.439 396 HZ PHE 57 HZ PHE 57 38.069 -2.685 28.492 397 HA PRO 58 HA PRO 58 32.010 -10.749 25.820 398 HB2 PRO 58 HB2 PRO 58 32.954 -13.123 26.810 399 HB3 PRO 58 HB3 PRO 58 33.543 -12.403 25.304 400 HG2 PRO 58 HG2 PRO 58 34.768 -12.317 28.053 401 HG3 PRO 58 HG3 PRO 58 35.551 -12.593 26.482 402 HD2 PRO 58 HD2 PRO 58 35.599 -10.168 27.739 403 HD3 PRO 58 HD3 PRO 58 35.609 -10.325 25.968 404 H CYS 59 H CYS 59 30.139 -10.684 26.866 405 HA CYS 59 HA CYS 59 29.703 -10.346 29.601 406 HB2 CYS 59 HB2 CYS 59 27.957 -9.860 27.957 407 HB3 CYS 59 HB3 CYS 59 27.851 -11.558 27.510 408 H LYS 60 H LYS 60 30.047 -11.686 31.251 409 HA LYS 60 HA LYS 60 31.621 -13.887 31.037 410 HB2 LYS 60 HB2 LYS 60 29.771 -13.209 33.356 411 HB3 LYS 60 HB3 LYS 60 31.142 -14.316 33.456 412 HG2 LYS 60 HG2 LYS 60 32.704 -12.505 32.986 413 HG3 LYS 60 HG3 LYS 60 31.369 -11.376 32.724 414 HD2 LYS 60 HD2 LYS 60 30.705 -11.566 35.082 415 HD3 LYS 60 HD3 LYS 60 31.953 -12.784 35.360 416 HE2 LYS 60 HE2 LYS 60 32.470 -9.905 34.559 417 HE3 LYS 60 HE3 LYS 60 32.614 -10.544 36.198 418 HZ1 LYS 60 HZ1 LYS 60 34.225 -11.411 33.850 419 HZ2 LYS 60 HZ2 LYS 60 34.349 -12.037 35.417 420 HZ3 LYS 60 HZ3 LYS 60 34.759 -10.425 35.115 421 H TYR 61 H TYR 61 28.114 -13.955 31.061 422 HA TYR 61 HA TYR 61 28.020 -16.849 31.582 423 HB2 TYR 61 HB2 TYR 61 25.728 -14.854 31.427 424 HB3 TYR 61 HB3 TYR 61 25.664 -16.491 32.076 425 HD1 TYR 61 HD1 TYR 61 26.829 -17.006 34.277 426 HD2 TYR 61 HD2 TYR 61 26.562 -13.003 32.777 427 HE1 TYR 61 HE1 TYR 61 27.450 -16.123 36.489 428 HE2 TYR 61 HE2 TYR 61 27.175 -12.139 34.996 429 HH TYR 61 HH TYR 61 28.447 -14.108 37.444 430 H CYS 62 H CYS 62 27.472 -14.557 28.958 431 HA CYS 62 HA CYS 62 26.718 -16.776 27.162 432 HB2 CYS 62 HB2 CYS 62 24.940 -15.562 26.121 433 HB3 CYS 62 HB3 CYS 62 24.663 -15.376 27.848 434 HA PRO 63 HA PRO 63 30.194 -15.309 24.821 435 HB2 PRO 63 HB2 PRO 63 29.580 -16.231 22.278 436 HB3 PRO 63 HB3 PRO 63 30.097 -17.278 23.605 437 HG2 PRO 63 HG2 PRO 63 27.289 -16.650 22.681 438 HG3 PRO 63 HG3 PRO 63 28.019 -18.238 23.023 439 HD2 PRO 63 HD2 PRO 63 26.457 -17.045 24.839 440 HD3 PRO 63 HD3 PRO 63 27.915 -17.916 25.357 441 H ALA 64 H ALA 64 27.319 -13.627 24.471 442 HA ALA 64 HA ALA 64 27.770 -11.840 22.371 443 HB1 ALA 64 HB1 ALA 64 26.579 -11.259 25.113 444 HB2 ALA 64 HB2 ALA 64 25.695 -11.854 23.708 445 HB3 ALA 64 HB3 ALA 64 26.400 -10.235 23.685 446 H THR 65 H THR 65 29.858 -11.139 22.042 447 HA THR 65 HA THR 65 31.486 -10.168 24.279 448 HB THR 65 HB THR 65 32.320 -10.727 21.393 449 HG1 THR 65 HG1 THR 65 31.729 -12.625 22.529 450 HG21 THR 65 HG21 THR 65 34.618 -10.673 22.285 451 HG22 THR 65 HG22 THR 65 34.009 -10.225 23.878 452 HG23 THR 65 HG23 THR 65 33.825 -9.114 22.518 453 H PHE 66 H PHE 66 31.318 -8.083 24.731 454 HA PHE 66 HA PHE 66 30.544 -6.097 22.713 455 HB2 PHE 66 HB2 PHE 66 30.799 -5.914 25.759 456 HB3 PHE 66 HB3 PHE 66 30.226 -4.611 24.710 457 HD1 PHE 66 HD1 PHE 66 28.045 -4.820 23.523 458 HD2 PHE 66 HD2 PHE 66 29.339 -7.778 26.334 459 HE1 PHE 66 HE1 PHE 66 25.755 -5.702 23.657 460 HE2 PHE 66 HE2 PHE 66 27.041 -8.646 26.466 461 HZ PHE 66 HZ PHE 66 25.250 -7.611 25.125 462 H TYR 67 H TYR 67 32.129 -4.906 21.727 463 HA TYR 67 HA TYR 67 34.822 -4.682 22.824 464 HB2 TYR 67 HB2 TYR 67 34.292 -4.936 20.322 465 HB3 TYR 67 HB3 TYR 67 33.619 -3.315 20.360 466 HD1 TYR 67 HD2 TYR 67 36.781 -5.241 20.767 467 HD2 TYR 67 HD1 TYR 67 35.072 -1.373 20.158 468 HE1 TYR 67 HE2 TYR 67 39.013 -4.315 20.342 469 HE2 TYR 67 HE1 TYR 67 37.305 -0.455 19.728 470 HH TYR 67 HH TYR 67 39.676 -1.047 20.356 471 H SER 68 H SER 68 33.202 -3.712 24.730 472 HA SER 68 HA SER 68 33.703 -0.892 24.896 473 HB2 SER 68 HB2 SER 68 31.312 -0.229 25.180 474 HB3 SER 68 HB3 SER 68 31.625 -0.830 23.557 475 HG SER 68 HG SER 68 30.672 -2.810 24.165 476 H SER 69 H SER 69 33.915 -0.301 26.980 477 HA SER 69 HA SER 69 33.896 -2.121 29.108 478 HB2 SER 69 HB2 SER 69 33.872 0.922 29.204 479 HB3 SER 69 HB3 SER 69 34.328 -0.142 30.532 480 HG SER 69 HG SER 69 35.638 -0.355 28.045 481 HA PRO 70 HA PRO 70 29.642 -0.172 30.573 482 HB2 PRO 70 HB2 PRO 70 27.977 0.889 28.658 483 HB3 PRO 70 HB3 PRO 70 29.102 1.855 29.623 484 HG2 PRO 70 HG2 PRO 70 29.455 0.756 26.836 485 HG3 PRO 70 HG3 PRO 70 29.810 2.391 27.441 486 HD2 PRO 70 HD2 PRO 70 31.763 0.556 27.120 487 HD3 PRO 70 HD3 PRO 70 31.793 1.704 28.476 488 H GLY 71 H GLY 71 29.756 -1.539 27.260 489 HA2 GLY 71 HA2 GLY 71 27.238 -2.740 27.141 490 HA3 GLY 71 HA3 GLY 71 28.634 -3.249 26.216 491 H LEU 72 H LEU 72 30.247 -4.043 28.415 492 HA LEU 72 HA LEU 72 29.509 -6.707 28.907 493 HB2 LEU 72 HB2 LEU 72 31.818 -5.866 29.046 494 HB3 LEU 72 HB3 LEU 72 31.400 -4.860 30.422 495 HG LEU 72 HG LEU 72 31.039 -6.885 31.811 496 HD11 LEU 72 HD11 LEU 72 31.684 -9.113 30.999 497 HD12 LEU 72 HD12 LEU 72 31.923 -8.461 29.376 498 HD13 LEU 72 HD13 LEU 72 30.313 -8.473 30.097 499 HD21 LEU 72 HD21 LEU 72 33.268 -5.869 31.791 500 HD22 LEU 72 HD22 LEU 72 33.729 -6.871 30.411 501 HD23 LEU 72 HD23 LEU 72 33.381 -7.617 31.974 502 H THR 73 H THR 73 29.401 -3.881 31.056 503 HA THR 73 HA THR 73 28.137 -5.085 33.290 504 HB THR 73 HB THR 73 28.209 -2.135 32.481 505 HG1 THR 73 HG1 THR 73 30.094 -2.175 33.916 506 HG21 THR 73 HG21 THR 73 27.898 -3.402 35.236 507 HG22 THR 73 HG22 THR 73 26.639 -2.543 34.353 508 HG23 THR 73 HG23 THR 73 28.062 -1.665 34.905 509 H ARG 74 H ARG 74 26.901 -3.556 30.370 510 HA ARG 74 HA ARG 74 24.268 -2.997 31.252 511 HB2 ARG 74 HB2 ARG 74 25.466 -3.236 28.470 512 HB3 ARG 74 HB3 ARG 74 23.763 -2.855 28.723 513 HG2 ARG 74 HG2 ARG 74 24.375 -0.828 29.955 514 HG3 ARG 74 HG3 ARG 74 26.087 -1.211 29.760 515 HD2 ARG 74 HD2 ARG 74 25.841 -1.025 27.311 516 HD3 ARG 74 HD3 ARG 74 24.129 -0.623 27.518 517 HE ARG 74 HE ARG 74 25.555 1.185 29.063 518 HH11 ARG 74 HH11 ARG 74 25.304 0.417 25.640 519 HH12 ARG 74 HH12 ARG 74 25.715 2.022 25.136 520 HH21 ARG 74 HH21 ARG 74 26.097 3.284 28.366 521 HH22 ARG 74 HH22 ARG 74 26.163 3.634 26.667 522 H HIS 75 H HIS 75 25.652 -5.847 29.564 523 HA HIS 75 HA HIS 75 23.096 -7.105 29.261 524 HB2 HIS 75 HB2 HIS 75 25.648 -7.745 28.291 525 HB3 HIS 75 HB3 HIS 75 25.355 -9.039 29.446 526 HD2 HIS 75 HD2 HIS 75 23.536 -7.446 26.348 527 HE1 HIS 75 HE1 HIS 75 22.201 -11.411 26.720 528 HE2 HIS 75 HE2 HIS 75 21.978 -9.269 25.431 529 H ILE 76 H ILE 76 25.764 -7.571 31.547 530 HA ILE 76 HA ILE 76 24.688 -9.672 33.028 531 HB ILE 76 HB ILE 76 26.779 -7.583 33.752 532 HG12 ILE 76 HG12 ILE 76 27.066 -10.470 32.775 533 HG13 ILE 76 HG13 ILE 76 27.265 -9.043 31.770 534 HG21 ILE 76 HG21 ILE 76 27.583 -9.107 35.533 535 HG22 ILE 76 HG22 ILE 76 26.215 -10.181 35.237 536 HG23 ILE 76 HG23 ILE 76 25.941 -8.553 35.858 537 HD11 ILE 76 HD11 ILE 76 29.391 -9.998 32.379 538 HD12 ILE 76 HD12 ILE 76 29.013 -9.835 34.093 539 HD13 ILE 76 HD13 ILE 76 29.218 -8.394 33.091 540 H ASN 77 H ASN 77 24.265 -6.159 33.512 541 HA ASN 77 HA ASN 77 22.690 -6.561 35.937 542 HB2 ASN 77 HB2 ASN 77 23.515 -4.050 34.446 543 HB3 ASN 77 HB3 ASN 77 22.416 -4.010 35.821 544 HD21 ASN 77 HD21 ASN 77 24.952 -2.719 35.680 545 HD22 ASN 77 HD22 ASN 77 25.957 -3.403 36.908 546 H LYS 78 H LYS 78 22.019 -5.469 32.555 547 HA LYS 78 HA LYS 78 19.186 -5.068 33.245 548 HB2 LYS 78 HB2 LYS 78 20.363 -3.305 31.976 549 HB3 LYS 78 HB3 LYS 78 20.701 -4.448 30.687 550 HG2 LYS 78 HG2 LYS 78 18.885 -3.042 29.987 551 HG3 LYS 78 HG3 LYS 78 18.248 -4.661 30.278 552 HD2 LYS 78 HD2 LYS 78 17.428 -3.901 32.522 553 HD3 LYS 78 HD3 LYS 78 18.008 -2.275 32.151 554 HE2 LYS 78 HE2 LYS 78 15.621 -2.381 31.729 555 HE3 LYS 78 HE3 LYS 78 16.464 -2.217 30.190 556 HZ1 LYS 78 HZ1 LYS 78 15.360 -4.727 31.325 557 HZ2 LYS 78 HZ2 LYS 78 16.204 -4.616 29.867 558 HZ3 LYS 78 HZ3 LYS 78 14.713 -3.839 30.044 559 H CYS 79 H CYS 79 20.953 -6.763 30.597 560 HA CYS 79 HA CYS 79 18.460 -8.093 29.778 561 HB2 CYS 79 HB2 CYS 79 19.803 -6.867 28.090 562 HB3 CYS 79 HB3 CYS 79 21.156 -7.952 28.374 563 HG CYS 79 HG CYS 79 18.947 -10.052 27.680 564 H HIS 80 H HIS 80 20.787 -8.831 31.915 565 HA HIS 80 HA HIS 80 20.385 -11.697 31.726 566 HB2 HIS 80 HB2 HIS 80 22.598 -10.692 30.362 567 HB3 HIS 80 HB3 HIS 80 23.301 -10.976 31.944 568 HD2 HIS 80 HD2 HIS 80 21.064 -13.769 31.906 569 HE1 HIS 80 HE1 HIS 80 24.298 -15.089 29.567 570 HE2 HIS 80 HE2 HIS 80 22.401 -15.792 31.051 571 HA PRO 81 HA PRO 81 21.116 -9.116 35.717 572 HB2 PRO 81 HB2 PRO 81 18.648 -9.083 36.875 573 HB3 PRO 81 HB3 PRO 81 19.104 -7.989 35.566 574 HG2 PRO 81 HG2 PRO 81 17.510 -10.540 35.427 575 HG3 PRO 81 HG3 PRO 81 17.205 -8.984 34.626 576 HD2 PRO 81 HD2 PRO 81 18.388 -11.110 33.363 577 HD3 PRO 81 HD3 PRO 81 18.709 -9.417 32.926 578 H SER 82 H SER 82 18.851 -11.899 35.992 579 HA SER 82 HA SER 82 20.077 -12.593 38.580 580 HB2 SER 82 HB2 SER 82 17.318 -13.289 37.492 581 HB3 SER 82 HB3 SER 82 17.920 -13.687 39.103 582 HG SER 82 HG SER 82 18.276 -11.115 38.863 583 H GLU 83 H GLU 83 21.817 -13.711 37.559 584 HA GLU 83 HA GLU 83 21.252 -16.268 36.260 585 HB2 GLU 83 HB2 GLU 83 23.840 -14.848 37.007 586 HB3 GLU 83 HB3 GLU 83 23.809 -16.464 36.311 587 HG2 GLU 83 HG2 GLU 83 22.678 -13.982 34.980 588 HG3 GLU 83 HG3 GLU 83 24.262 -14.683 34.643 589 H ASN 84 H ASN 84 23.429 -15.437 38.968 590 HA ASN 84 HA ASN 84 22.382 -17.740 40.509 591 HB2 ASN 84 HB2 ASN 84 25.031 -16.256 40.847 592 HB3 ASN 84 HB3 ASN 84 24.503 -17.649 41.788 593 HD21 ASN 84 HD21 ASN 84 25.985 -19.182 41.217 594 HD22 ASN 84 HD22 ASN 84 26.294 -19.698 39.596 595 H ARG 85 H ARG 85 21.798 -14.557 40.183 596 HA ARG 85 HA ARG 85 22.030 -13.484 42.792 597 HB2 ARG 85 HB2 ARG 85 21.877 -12.062 40.788 598 HB3 ARG 85 HB3 ARG 85 20.243 -12.628 40.485 599 HG2 ARG 85 HG2 ARG 85 20.129 -10.418 41.429 600 HG3 ARG 85 HG3 ARG 85 19.507 -11.560 42.616 601 HD2 ARG 85 HD2 ARG 85 22.339 -10.477 42.672 602 HD3 ARG 85 HD3 ARG 85 20.994 -9.706 43.512 603 HE ARG 85 HE ARG 85 21.045 -12.354 44.369 604 HH11 ARG 85 HH11 ARG 85 23.166 -9.546 44.576 605 HH12 ARG 85 HH12 ARG 85 23.922 -10.085 46.047 606 HH21 ARG 85 HH21 ARG 85 22.055 -13.041 46.274 607 HH22 ARG 85 HH22 ARG 85 23.297 -12.070 47.001 Start of MODEL 8 1 H1 MET 1 H1 MET 1 23.518 6.305 -9.897 2 H2 MET 1 H2 MET 1 24.306 5.591 -11.208 3 H3 MET 1 H3 MET 1 25.171 6.566 -10.130 4 HA MET 1 HA MET 1 23.894 3.979 -9.502 5 HB2 MET 1 HB2 MET 1 26.835 4.752 -9.768 6 HB3 MET 1 HB3 MET 1 26.269 3.189 -9.194 7 HG2 MET 1 HG2 MET 1 25.340 2.660 -11.371 8 HG3 MET 1 HG3 MET 1 25.699 4.285 -11.967 9 HE1 MET 1 HE1 MET 1 28.176 5.190 -12.378 10 HE2 MET 1 HE2 MET 1 29.631 4.236 -12.086 11 HE3 MET 1 HE3 MET 1 28.651 4.783 -10.726 12 H GLY 2 H GLY 2 26.576 5.958 -8.192 13 HA2 GLY 2 HA2 GLY 2 25.719 5.501 -5.450 14 HA3 GLY 2 HA3 GLY 2 27.177 6.319 -5.991 15 H HIS 3 H HIS 3 23.898 6.719 -5.003 16 HA HIS 3 HA HIS 3 23.689 9.519 -5.713 17 HB2 HIS 3 HB2 HIS 3 21.677 8.048 -5.577 18 HB3 HIS 3 HB3 HIS 3 21.957 7.833 -3.853 19 HD1 HIS 3 HD1 HIS 3 19.687 8.874 -3.233 20 HD2 HIS 3 HD2 HIS 3 22.133 11.441 -5.399 21 HE1 HIS 3 HE1 HIS 3 18.593 11.125 -3.104 22 HE2 HIS 3 HE2 HIS 3 19.951 12.586 -4.626 23 H HIS 4 H HIS 4 23.686 7.800 -2.569 24 HA HIS 4 HA HIS 4 25.912 9.059 -1.458 25 HB2 HIS 4 HB2 HIS 4 24.957 10.551 0.257 26 HB3 HIS 4 HB3 HIS 4 24.500 11.110 -1.334 27 HD1 HIS 4 HD1 HIS 4 23.103 9.965 1.877 28 HD2 HIS 4 HD2 HIS 4 21.720 10.759 -1.952 29 HE1 HIS 4 HE1 HIS 4 20.613 10.140 2.090 30 HE2 HIS 4 HE2 HIS 4 19.815 10.738 -0.213 31 H HIS 5 H HIS 5 23.045 7.153 -1.160 32 HA HIS 5 HA HIS 5 22.476 5.304 -0.009 33 HB2 HIS 5 HB2 HIS 5 25.284 5.460 1.133 34 HB3 HIS 5 HB3 HIS 5 24.145 4.223 1.638 35 HD1 HIS 5 HD1 HIS 5 26.453 5.141 -1.096 36 HD2 HIS 5 HD2 HIS 5 23.496 2.308 -0.398 37 HE1 HIS 5 HE1 HIS 5 26.821 3.347 -2.807 38 HE2 HIS 5 HE2 HIS 5 25.093 1.595 -2.298 39 H HIS 6 H HIS 6 22.092 4.476 2.304 40 HA HIS 6 HA HIS 6 20.964 6.692 3.857 41 HB2 HIS 6 HB2 HIS 6 20.544 3.688 4.201 42 HB3 HIS 6 HB3 HIS 6 19.607 4.963 4.971 43 HD1 HIS 6 HD1 HIS 6 18.429 2.700 3.110 44 HD2 HIS 6 HD2 HIS 6 19.233 6.603 1.932 45 HE1 HIS 6 HE1 HIS 6 16.963 3.117 1.126 46 HE2 HIS 6 HE2 HIS 6 17.337 5.534 0.543 47 H HIS 7 H HIS 7 22.691 7.544 5.006 48 HA HIS 7 HA HIS 7 24.283 5.768 6.786 49 HB2 HIS 7 HB2 HIS 7 24.841 8.636 5.889 50 HB3 HIS 7 HB3 HIS 7 25.858 7.704 6.981 51 HD1 HIS 7 HD1 HIS 7 27.649 6.303 5.911 52 HD2 HIS 7 HD2 HIS 7 24.780 7.560 3.197 53 HE1 HIS 7 HE1 HIS 7 28.534 5.660 3.653 54 HE2 HIS 7 HE2 HIS 7 26.868 6.618 2.031 55 H HIS 8 H HIS 8 23.503 5.659 8.778 56 HA HIS 8 HA HIS 8 22.879 8.106 10.298 57 HB2 HIS 8 HB2 HIS 8 21.129 5.597 10.234 58 HB3 HIS 8 HB3 HIS 8 20.990 6.842 11.469 59 HD1 HIS 8 HD1 HIS 8 20.065 9.166 10.711 60 HD2 HIS 8 HD2 HIS 8 19.906 6.233 7.783 61 HE1 HIS 8 HE1 HIS 8 18.493 10.046 8.976 62 HE2 HIS 8 HE2 HIS 8 18.562 8.337 7.130 63 H SER 9 H SER 9 25.224 6.461 10.053 64 HA SER 9 HA SER 9 25.605 4.622 12.160 65 HB2 SER 9 HB2 SER 9 27.711 6.349 10.787 66 HB3 SER 9 HB3 SER 9 27.990 4.827 11.644 67 HG SER 9 HG SER 9 27.485 3.824 9.885 68 H HIS 10 H HIS 10 25.763 4.987 14.284 69 HA HIS 10 HA HIS 10 26.971 7.275 15.519 70 HB2 HIS 10 HB2 HIS 10 24.786 8.279 14.830 71 HB3 HIS 10 HB3 HIS 10 23.916 6.997 15.666 72 HD1 HIS 10 HD1 HIS 10 26.326 9.831 16.479 73 HD2 HIS 10 HD2 HIS 10 23.315 7.613 18.282 74 HE1 HIS 10 HE1 HIS 10 25.938 10.915 18.698 75 HE2 HIS 10 HE2 HIS 10 24.163 9.509 19.807 76 H MET 11 H MET 11 27.327 6.884 17.714 77 HA MET 11 HA MET 11 27.518 5.865 19.702 78 HB2 MET 11 HB2 MET 11 25.010 5.698 19.647 79 HB3 MET 11 HB3 MET 11 25.146 4.120 18.894 80 HG2 MET 11 HG2 MET 11 26.268 4.725 21.642 81 HG3 MET 11 HG3 MET 11 24.622 4.150 21.369 82 HE1 MET 11 HE1 MET 11 25.222 2.128 23.105 83 HE2 MET 11 HE2 MET 11 26.875 2.734 23.232 84 HE3 MET 11 HE3 MET 11 26.586 1.039 22.849 85 H GLY 12 H GLY 12 28.547 4.012 20.656 86 HA2 GLY 12 HA2 GLY 12 29.339 1.740 20.579 87 HA3 GLY 12 HA3 GLY 12 29.327 1.806 18.825 88 H ASP 13 H ASP 13 30.570 4.331 20.926 89 HA ASP 13 HA ASP 13 32.579 5.234 21.371 90 HB2 ASP 13 HB2 ASP 13 33.062 2.863 22.178 91 HB3 ASP 13 HB3 ASP 13 33.813 2.540 20.621 92 H GLY 14 H GLY 14 34.956 5.572 20.267 93 HA2 GLY 14 HA2 GLY 14 35.341 5.105 17.530 94 HA3 GLY 14 HA3 GLY 14 34.628 6.706 17.719 95 H GLU 15 H GLU 15 37.050 4.798 19.524 96 HA GLU 15 HA GLU 15 38.654 7.021 20.254 97 HB2 GLU 15 HB2 GLU 15 38.467 4.567 21.276 98 HB3 GLU 15 HB3 GLU 15 39.754 4.190 20.145 99 HG2 GLU 15 HG2 GLU 15 39.853 6.195 22.424 100 HG3 GLU 15 HG3 GLU 15 40.661 4.636 22.364 101 H GLY 16 H GLY 16 39.814 8.202 18.873 102 HA2 GLY 16 HA2 GLY 16 40.602 7.189 16.241 103 HA3 GLY 16 HA3 GLY 16 40.586 8.863 16.776 104 H ALA 17 H ALA 17 42.252 5.789 17.384 105 HA ALA 17 HA ALA 17 44.604 6.842 18.521 106 HB1 ALA 17 HB1 ALA 17 44.218 4.203 17.065 107 HB2 ALA 17 HB2 ALA 17 43.960 4.493 18.786 108 HB3 ALA 17 HB3 ALA 17 45.584 4.617 18.106 109 H GLY 18 H GLY 18 46.494 7.572 17.658 110 HA2 GLY 18 HA2 GLY 18 46.625 8.467 14.958 111 HA3 GLY 18 HA3 GLY 18 47.917 8.554 16.153 112 H VAL 19 H VAL 19 46.284 6.373 13.897 113 HA VAL 19 HA VAL 19 48.331 4.348 13.983 114 HB VAL 19 HB VAL 19 47.014 3.230 12.175 115 HG11 VAL 19 HG11 VAL 19 45.023 2.697 13.564 116 HG12 VAL 19 HG12 VAL 19 45.350 4.100 14.585 117 HG13 VAL 19 HG13 VAL 19 46.491 2.755 14.539 118 HG21 VAL 19 HG21 VAL 19 44.807 4.156 11.501 119 HG22 VAL 19 HG22 VAL 19 46.121 5.229 11.026 120 HG23 VAL 19 HG23 VAL 19 45.130 5.621 12.432 121 H LEU 20 H LEU 20 49.333 3.536 11.986 122 HA LEU 20 HA LEU 20 50.054 5.531 9.982 123 HB2 LEU 20 HB2 LEU 20 52.548 5.156 10.509 124 HB3 LEU 20 HB3 LEU 20 51.636 6.181 11.597 125 HG LEU 20 HG LEU 20 51.451 4.177 13.177 126 HD11 LEU 20 HD11 LEU 20 53.612 2.983 11.424 127 HD12 LEU 20 HD12 LEU 20 51.981 2.350 11.662 128 HD13 LEU 20 HD13 LEU 20 53.114 2.387 13.010 129 HD21 LEU 20 HD21 LEU 20 52.963 6.045 13.622 130 HD22 LEU 20 HD22 LEU 20 54.228 5.278 12.657 131 HD23 LEU 20 HD23 LEU 20 53.673 4.522 14.153 132 H GLY 21 H GLY 21 51.957 4.461 8.596 133 HA2 GLY 21 HA2 GLY 21 52.842 2.456 7.629 134 HA3 GLY 21 HA3 GLY 21 51.413 1.578 8.147 135 H LEU 22 H LEU 22 50.737 4.643 6.819 136 HA LEU 22 HA LEU 22 49.763 5.420 4.956 137 HB2 LEU 22 HB2 LEU 22 51.669 3.435 3.655 138 HB3 LEU 22 HB3 LEU 22 50.634 4.485 2.707 139 HG LEU 22 HG LEU 22 51.763 6.486 3.717 140 HD11 LEU 22 HD11 LEU 22 53.899 6.245 4.915 141 HD12 LEU 22 HD12 LEU 22 53.683 4.492 4.964 142 HD13 LEU 22 HD13 LEU 22 52.561 5.546 5.824 143 HD21 LEU 22 HD21 LEU 22 52.469 5.623 1.522 144 HD22 LEU 22 HD22 LEU 22 53.647 4.560 2.297 145 HD23 LEU 22 HD23 LEU 22 53.832 6.314 2.398 146 H SER 23 H SER 23 47.706 4.708 5.590 147 HA SER 23 HA SER 23 46.709 2.115 4.645 148 HB2 SER 23 HB2 SER 23 44.650 2.776 6.008 149 HB3 SER 23 HB3 SER 23 46.145 2.604 6.927 150 HG SER 23 HG SER 23 45.054 5.059 5.997 151 H ALA 24 H ALA 24 46.198 2.154 2.526 152 HA ALA 24 HA ALA 24 44.694 4.259 1.236 153 HB1 ALA 24 HB1 ALA 24 44.481 2.661 -0.639 154 HB2 ALA 24 HB2 ALA 24 45.150 1.372 0.369 155 HB3 ALA 24 HB3 ALA 24 46.149 2.755 -0.071 156 H SER 25 H SER 25 42.505 3.524 0.132 157 HA SER 25 HA SER 25 40.559 3.231 2.163 158 HB2 SER 25 HB2 SER 25 40.137 4.479 0.077 159 HB3 SER 25 HB3 SER 25 40.251 2.993 -0.862 160 HG SER 25 HG SER 25 38.388 2.255 0.106 161 H ALA 26 H ALA 26 40.928 1.315 3.282 162 HA ALA 26 HA ALA 26 40.956 -1.288 2.011 163 HB1 ALA 26 HB1 ALA 26 41.086 -2.158 4.322 164 HB2 ALA 26 HB2 ALA 26 40.805 -0.533 4.955 165 HB3 ALA 26 HB3 ALA 26 42.276 -0.883 4.047 166 H GLU 27 H GLU 27 39.365 -2.909 2.325 167 HA GLU 27 HA GLU 27 36.713 -2.216 3.349 168 HB2 GLU 27 HB2 GLU 27 36.764 -1.489 0.934 169 HB3 GLU 27 HB3 GLU 27 37.155 -3.140 0.471 170 HG2 GLU 27 HG2 GLU 27 34.980 -3.907 1.358 171 HG3 GLU 27 HG3 GLU 27 34.588 -2.258 1.844 172 H CYS 28 H CYS 28 37.418 -3.730 4.921 173 HA CYS 28 HA CYS 28 36.635 -6.440 4.468 174 HB2 CYS 28 HB2 CYS 28 38.810 -7.523 5.001 175 HB3 CYS 28 HB3 CYS 28 38.916 -6.598 3.504 176 HG CYS 28 HG CYS 28 40.897 -5.110 4.208 177 H HIS 29 H HIS 29 37.428 -7.750 6.559 178 HA HIS 29 HA HIS 29 36.498 -6.329 8.909 179 HB2 HIS 29 HB2 HIS 29 37.359 -9.232 8.481 180 HB3 HIS 29 HB3 HIS 29 36.684 -8.601 9.986 181 HD1 HIS 29 HD1 HIS 29 35.698 -9.835 6.639 182 HD2 HIS 29 HD2 HIS 29 33.928 -7.791 9.799 183 HE1 HIS 29 HE1 HIS 29 33.238 -9.825 6.147 184 HE2 HIS 29 HE2 HIS 29 32.217 -8.433 7.975 185 H LEU 30 H LEU 30 37.729 -5.810 10.695 186 HA LEU 30 HA LEU 30 40.671 -6.128 10.537 187 HB2 LEU 30 HB2 LEU 30 39.169 -3.527 11.090 188 HB3 LEU 30 HB3 LEU 30 40.906 -3.729 11.248 189 HG LEU 30 HG LEU 30 39.365 -3.956 8.622 190 HD11 LEU 30 HD11 LEU 30 40.373 -1.796 8.017 191 HD12 LEU 30 HD12 LEU 30 41.096 -1.669 9.622 192 HD13 LEU 30 HD13 LEU 30 39.341 -1.645 9.438 193 HD21 LEU 30 HD21 LEU 30 42.371 -3.946 9.113 194 HD22 LEU 30 HD22 LEU 30 41.582 -3.941 7.534 195 HD23 LEU 30 HD23 LEU 30 41.404 -5.332 8.599 196 H CYS 31 H CYS 31 41.614 -6.538 12.450 197 HA CYS 31 HA CYS 31 40.182 -6.593 14.991 198 HB2 CYS 31 HB2 CYS 31 41.932 -8.286 14.514 199 HB3 CYS 31 HB3 CYS 31 43.126 -7.022 14.258 200 HA PRO 32 HA PRO 32 40.810 -2.032 14.778 201 HB2 PRO 32 HB2 PRO 32 39.625 -1.402 17.239 202 HB3 PRO 32 HB3 PRO 32 38.741 -1.662 15.729 203 HG2 PRO 32 HG2 PRO 32 39.301 -3.635 17.951 204 HG3 PRO 32 HG3 PRO 32 37.768 -3.300 17.110 205 HD2 PRO 32 HD2 PRO 32 39.200 -5.426 16.421 206 HD3 PRO 32 HD3 PRO 32 38.461 -4.427 15.151 207 H VAL 33 H VAL 33 42.072 -4.063 17.292 208 HA VAL 33 HA VAL 33 43.539 -2.002 18.704 209 HB VAL 33 HB VAL 33 43.885 -5.016 19.009 210 HG11 VAL 33 HG11 VAL 33 44.339 -2.727 20.973 211 HG12 VAL 33 HG12 VAL 33 45.590 -3.662 20.149 212 HG13 VAL 33 HG13 VAL 33 44.544 -4.443 21.331 213 HG21 VAL 33 HG21 VAL 33 41.473 -4.527 19.177 214 HG22 VAL 33 HG22 VAL 33 41.785 -3.284 20.389 215 HG23 VAL 33 HG23 VAL 33 42.126 -4.977 20.755 216 H CYS 34 H CYS 34 44.198 -4.256 16.083 217 HA CYS 34 HA CYS 34 46.888 -3.124 15.737 218 HB2 CYS 34 HB2 CYS 34 48.016 -5.221 15.530 219 HB3 CYS 34 HB3 CYS 34 47.056 -5.363 16.996 220 H GLY 35 H GLY 35 47.251 -2.596 13.633 221 HA2 GLY 35 HA2 GLY 35 45.279 -2.838 11.627 222 HA3 GLY 35 HA3 GLY 35 46.954 -2.356 11.363 223 H GLU 36 H GLU 36 44.659 -4.692 10.726 224 HA GLU 36 HA GLU 36 46.413 -6.540 9.417 225 HB2 GLU 36 HB2 GLU 36 46.759 -7.289 11.765 226 HB3 GLU 36 HB3 GLU 36 45.023 -7.463 11.986 227 HG2 GLU 36 HG2 GLU 36 46.017 -9.641 11.671 228 HG3 GLU 36 HG3 GLU 36 44.982 -9.260 10.298 229 H SER 37 H SER 37 45.263 -7.126 7.675 230 HA SER 37 HA SER 37 42.417 -6.627 7.470 231 HB2 SER 37 HB2 SER 37 42.797 -7.337 5.072 232 HB3 SER 37 HB3 SER 37 43.844 -6.020 5.599 233 HG SER 37 HG SER 37 44.881 -8.562 5.988 234 H PHE 38 H PHE 38 40.806 -8.135 7.219 235 HA PHE 38 HA PHE 38 41.400 -11.018 7.148 236 HB2 PHE 38 HB2 PHE 38 39.410 -9.729 9.085 237 HB3 PHE 38 HB3 PHE 38 39.622 -11.459 8.851 238 HD1 PHE 38 HD2 PHE 38 42.043 -12.390 9.288 239 HD2 PHE 38 HD1 PHE 38 40.589 -8.675 10.823 240 HE1 PHE 38 HE2 PHE 38 43.728 -12.463 11.073 241 HE2 PHE 38 HE1 PHE 38 42.283 -8.753 12.595 242 HZ PHE 38 HZ PHE 38 43.845 -10.646 12.727 243 H ALA 39 H ALA 39 40.172 -11.990 5.634 244 HA ALA 39 HA ALA 39 37.936 -10.687 4.322 245 HB1 ALA 39 HB1 ALA 39 37.835 -12.776 2.986 246 HB2 ALA 39 HB2 ALA 39 39.042 -13.513 4.043 247 HB3 ALA 39 HB3 ALA 39 39.477 -12.129 3.042 248 H SER 40 H SER 40 38.471 -13.433 6.495 249 HA SER 40 HA SER 40 35.686 -14.181 6.675 250 HB2 SER 40 HB2 SER 40 38.150 -15.222 8.126 251 HB3 SER 40 HB3 SER 40 36.558 -15.981 8.147 252 HG SER 40 HG SER 40 38.344 -16.610 6.520 253 H LYS 41 H LYS 41 34.536 -14.392 8.689 254 HA LYS 41 HA LYS 41 34.569 -12.005 10.299 255 HB2 LYS 41 HB2 LYS 41 32.462 -13.179 9.621 256 HB3 LYS 41 HB3 LYS 41 32.918 -14.559 10.616 257 HG2 LYS 41 HG2 LYS 41 32.916 -12.935 12.616 258 HG3 LYS 41 HG3 LYS 41 32.136 -11.772 11.539 259 HD2 LYS 41 HD2 LYS 41 30.264 -13.375 11.193 260 HD3 LYS 41 HD3 LYS 41 31.058 -14.520 12.280 261 HE2 LYS 41 HE2 LYS 41 30.930 -12.707 14.083 262 HE3 LYS 41 HE3 LYS 41 29.872 -11.815 12.988 263 HZ1 LYS 41 HZ1 LYS 41 28.656 -13.134 14.609 264 HZ2 LYS 41 HZ2 LYS 41 29.359 -14.552 14.013 265 HZ3 LYS 41 HZ3 LYS 41 28.329 -13.638 13.032 266 H GLY 42 H GLY 42 34.990 -15.479 10.985 267 HA2 GLY 42 HA2 GLY 42 35.489 -15.349 13.735 268 HA3 GLY 42 HA3 GLY 42 35.930 -16.680 12.678 269 H ALA 43 H ALA 43 37.649 -14.980 11.019 270 HA ALA 43 HA ALA 43 40.136 -15.230 12.365 271 HB1 ALA 43 HB1 ALA 43 41.077 -14.167 10.360 272 HB2 ALA 43 HB2 ALA 43 39.458 -13.694 9.833 273 HB3 ALA 43 HB3 ALA 43 39.893 -15.401 9.923 274 H GLN 44 H GLN 44 38.050 -12.432 11.658 275 HA GLN 44 HA GLN 44 39.636 -10.404 12.872 276 HB2 GLN 44 HB2 GLN 44 37.837 -9.782 11.351 277 HB3 GLN 44 HB3 GLN 44 36.638 -10.598 12.350 278 HG2 GLN 44 HG2 GLN 44 37.160 -8.911 14.184 279 HG3 GLN 44 HG3 GLN 44 38.136 -8.039 13.005 280 HE21 GLN 44 HE21 GLN 44 34.900 -9.027 13.882 281 HE22 GLN 44 HE22 GLN 44 34.055 -7.901 12.881 282 H GLU 45 H GLU 45 36.936 -12.377 14.045 283 HA GLU 45 HA GLU 45 36.558 -11.220 16.573 284 HB2 GLU 45 HB2 GLU 45 35.957 -14.064 15.663 285 HB3 GLU 45 HB3 GLU 45 35.331 -13.330 17.140 286 HG2 GLU 45 HG2 GLU 45 34.079 -11.689 15.802 287 HG3 GLU 45 HG3 GLU 45 34.734 -12.383 14.318 288 H ARG 46 H ARG 46 38.623 -13.920 15.530 289 HA ARG 46 HA ARG 46 39.244 -14.789 18.197 290 HB2 ARG 46 HB2 ARG 46 40.627 -16.466 17.224 291 HB3 ARG 46 HB3 ARG 46 39.240 -16.301 16.162 292 HG2 ARG 46 HG2 ARG 46 40.629 -14.959 14.592 293 HG3 ARG 46 HG3 ARG 46 42.016 -15.183 15.655 294 HD2 ARG 46 HD2 ARG 46 40.538 -17.311 14.073 295 HD3 ARG 46 HD3 ARG 46 42.216 -16.789 13.868 296 HE ARG 46 HE ARG 46 41.218 -18.208 16.275 297 HH11 ARG 46 HH11 ARG 46 43.759 -17.730 13.921 298 HH12 ARG 46 HH12 ARG 46 44.734 -19.019 14.542 299 HH21 ARG 46 HH21 ARG 46 42.505 -19.860 17.107 300 HH22 ARG 46 HH22 ARG 46 44.026 -20.224 16.357 301 H HIS 47 H HIS 47 40.741 -12.537 15.913 302 HA HIS 47 HA HIS 47 43.240 -12.361 17.313 303 HB2 HIS 47 HB2 HIS 47 42.324 -11.308 14.864 304 HB3 HIS 47 HB3 HIS 47 42.571 -9.872 15.844 305 HD2 HIS 47 HD2 HIS 47 44.557 -12.654 14.061 306 HE1 HIS 47 HE1 HIS 47 47.392 -10.139 15.906 307 HE2 HIS 47 HE2 HIS 47 47.029 -11.940 14.182 308 H LEU 48 H LEU 48 40.117 -10.980 17.829 309 HA LEU 48 HA LEU 48 41.030 -9.108 19.879 310 HB2 LEU 48 HB2 LEU 48 38.236 -9.964 19.018 311 HB3 LEU 48 HB3 LEU 48 38.575 -8.717 20.214 312 HG LEU 48 HG LEU 48 39.375 -8.592 17.274 313 HD11 LEU 48 HD11 LEU 48 36.952 -8.335 17.532 314 HD12 LEU 48 HD12 LEU 48 37.696 -6.810 17.055 315 HD13 LEU 48 HD13 LEU 48 37.196 -7.057 18.729 316 HD21 LEU 48 HD21 LEU 48 41.006 -7.423 18.696 317 HD22 LEU 48 HD22 LEU 48 39.709 -6.494 19.453 318 HD23 LEU 48 HD23 LEU 48 40.073 -6.277 17.743 319 H ARG 49 H ARG 49 38.803 -11.890 19.870 320 HA ARG 49 HA ARG 49 38.317 -12.092 22.574 321 HB2 ARG 49 HB2 ARG 49 37.078 -13.155 20.575 322 HB3 ARG 49 HB3 ARG 49 38.251 -14.458 20.638 323 HG2 ARG 49 HG2 ARG 49 36.492 -13.761 23.021 324 HG3 ARG 49 HG3 ARG 49 35.946 -14.843 21.744 325 HD2 ARG 49 HD2 ARG 49 37.833 -16.360 22.225 326 HD3 ARG 49 HD3 ARG 49 38.384 -15.274 23.504 327 HE ARG 49 HE ARG 49 35.665 -16.063 23.889 328 HH11 ARG 49 HH11 ARG 49 38.941 -17.277 24.335 329 HH12 ARG 49 HH12 ARG 49 38.486 -18.334 25.629 330 HH21 ARG 49 HH21 ARG 49 35.107 -17.499 25.556 331 HH22 ARG 49 HH22 ARG 49 36.332 -18.472 26.306 332 H LEU 50 H LEU 50 40.794 -13.770 20.652 333 HA LEU 50 HA LEU 50 41.862 -15.207 22.953 334 HB2 LEU 50 HB2 LEU 50 42.964 -15.043 20.121 335 HB3 LEU 50 HB3 LEU 50 43.440 -16.194 21.364 336 HG LEU 50 HG LEU 50 40.714 -16.075 20.001 337 HD11 LEU 50 HD11 LEU 50 41.366 -18.189 18.923 338 HD12 LEU 50 HD12 LEU 50 42.968 -18.079 19.659 339 HD13 LEU 50 HD13 LEU 50 42.451 -16.870 18.479 340 HD21 LEU 50 HD21 LEU 50 40.475 -16.887 22.310 341 HD22 LEU 50 HD22 LEU 50 41.737 -18.093 22.040 342 HD23 LEU 50 HD23 LEU 50 40.209 -18.196 21.161 343 H LEU 51 H LEU 51 43.349 -13.016 20.518 344 HA LEU 51 HA LEU 51 45.679 -12.699 22.210 345 HB2 LEU 51 HB2 LEU 51 45.040 -11.549 19.466 346 HB3 LEU 51 HB3 LEU 51 46.606 -11.447 20.265 347 HG LEU 51 HG LEU 51 45.254 -14.040 19.397 348 HD11 LEU 51 HD11 LEU 51 47.601 -12.586 18.150 349 HD12 LEU 51 HD12 LEU 51 45.982 -12.744 17.464 350 HD13 LEU 51 HD13 LEU 51 46.993 -14.173 17.668 351 HD21 LEU 51 HD21 LEU 51 47.398 -15.139 19.959 352 HD22 LEU 51 HD22 LEU 51 46.659 -14.408 21.379 353 HD23 LEU 51 HD23 LEU 51 48.023 -13.613 20.592 354 H HIS 52 H HIS 52 43.658 -10.302 20.528 355 HA HIS 52 HA HIS 52 44.641 -8.178 22.264 356 HB2 HIS 52 HB2 HIS 52 43.415 -8.211 19.483 357 HB3 HIS 52 HB3 HIS 52 43.412 -6.714 20.416 358 HD2 HIS 52 HD2 HIS 52 46.157 -6.391 21.620 359 HE1 HIS 52 HE1 HIS 52 47.907 -7.590 18.003 360 HE2 HIS 52 HE2 HIS 52 48.333 -6.708 20.308 361 H ALA 53 H ALA 53 43.307 -9.359 23.908 362 HA ALA 53 HA ALA 53 40.442 -8.723 23.919 363 HB1 ALA 53 HB1 ALA 53 41.099 -11.048 24.369 364 HB2 ALA 53 HB2 ALA 53 40.288 -10.335 25.765 365 HB3 ALA 53 HB3 ALA 53 42.045 -10.520 25.762 366 H ALA 54 H ALA 54 43.148 -7.131 24.848 367 HA ALA 54 HA ALA 54 42.445 -6.278 27.518 368 HB1 ALA 54 HB1 ALA 54 44.350 -4.739 27.314 369 HB2 ALA 54 HB2 ALA 54 44.467 -5.082 25.586 370 HB3 ALA 54 HB3 ALA 54 44.797 -6.354 26.760 371 H GLN 55 H GLN 55 41.548 -5.291 24.320 372 HA GLN 55 HA GLN 55 40.498 -2.685 25.279 373 HB2 GLN 55 HB2 GLN 55 41.142 -3.583 22.440 374 HB3 GLN 55 HB3 GLN 55 40.525 -1.992 22.885 375 HG2 GLN 55 HG2 GLN 55 43.206 -3.144 23.755 376 HG3 GLN 55 HG3 GLN 55 42.969 -2.000 22.434 377 HE21 GLN 55 HE21 GLN 55 42.987 -2.399 25.914 378 HE22 GLN 55 HE22 GLN 55 43.005 -0.719 26.305 379 H VAL 56 H VAL 56 39.502 -5.818 24.377 380 HA VAL 56 HA VAL 56 36.729 -4.881 23.894 381 HB VAL 56 HB VAL 56 36.215 -6.989 22.798 382 HG11 VAL 56 HG11 VAL 56 37.131 -5.222 21.358 383 HG12 VAL 56 HG12 VAL 56 37.603 -6.809 20.754 384 HG13 VAL 56 HG13 VAL 56 38.770 -5.817 21.630 385 HG21 VAL 56 HG21 VAL 56 37.665 -8.537 24.069 386 HG22 VAL 56 HG22 VAL 56 39.088 -7.863 23.278 387 HG23 VAL 56 HG23 VAL 56 37.896 -8.750 22.331 388 H PHE 57 H PHE 57 35.059 -6.192 24.858 389 HA PHE 57 HA PHE 57 35.721 -7.345 27.486 390 HB2 PHE 57 HB2 PHE 57 33.699 -5.102 26.987 391 HB3 PHE 57 HB3 PHE 57 33.889 -5.971 28.506 392 HD1 PHE 57 HD1 PHE 57 35.810 -5.543 29.974 393 HD2 PHE 57 HD2 PHE 57 35.388 -3.436 26.273 394 HE1 PHE 57 HE1 PHE 57 37.515 -3.923 30.697 395 HE2 PHE 57 HE2 PHE 57 37.087 -1.817 27.011 396 HZ PHE 57 HZ PHE 57 38.147 -2.058 29.222 397 HA PRO 58 HA PRO 58 32.475 -9.950 25.395 398 HB2 PRO 58 HB2 PRO 58 33.552 -12.387 26.020 399 HB3 PRO 58 HB3 PRO 58 34.067 -11.449 24.608 400 HG2 PRO 58 HG2 PRO 58 35.386 -11.705 27.306 401 HG3 PRO 58 HG3 PRO 58 36.124 -11.720 25.687 402 HD2 PRO 58 HD2 PRO 58 36.091 -9.498 27.316 403 HD3 PRO 58 HD3 PRO 58 36.141 -9.397 25.543 404 H CYS 59 H CYS 59 30.709 -9.796 26.656 405 HA CYS 59 HA CYS 59 30.497 -10.137 29.450 406 HB2 CYS 59 HB2 CYS 59 28.772 -8.964 28.212 407 HB3 CYS 59 HB3 CYS 59 28.424 -10.387 27.243 408 H LYS 60 H LYS 60 30.959 -11.943 30.520 409 HA LYS 60 HA LYS 60 32.520 -13.757 29.336 410 HB2 LYS 60 HB2 LYS 60 31.037 -14.125 31.958 411 HB3 LYS 60 HB3 LYS 60 32.443 -15.076 31.472 412 HG2 LYS 60 HG2 LYS 60 33.833 -13.041 31.440 413 HG3 LYS 60 HG3 LYS 60 32.430 -12.061 31.883 414 HD2 LYS 60 HD2 LYS 60 32.267 -13.200 34.039 415 HD3 LYS 60 HD3 LYS 60 33.581 -14.297 33.597 416 HE2 LYS 60 HE2 LYS 60 35.152 -12.400 33.533 417 HE3 LYS 60 HE3 LYS 60 33.841 -11.284 33.931 418 HZ1 LYS 60 HZ1 LYS 60 34.782 -13.510 35.645 419 HZ2 LYS 60 HZ2 LYS 60 33.558 -12.407 36.030 420 HZ3 LYS 60 HZ3 LYS 60 35.156 -11.878 35.870 421 H TYR 61 H TYR 61 29.132 -14.472 30.134 422 HA TYR 61 HA TYR 61 29.547 -17.337 29.711 423 HB2 TYR 61 HB2 TYR 61 26.836 -16.156 30.374 424 HB3 TYR 61 HB3 TYR 61 27.511 -17.709 30.842 425 HD1 TYR 61 HD1 TYR 61 27.595 -14.042 31.539 426 HD2 TYR 61 HD2 TYR 61 28.722 -17.914 32.963 427 HE1 TYR 61 HE1 TYR 61 28.209 -13.077 33.683 428 HE2 TYR 61 HE2 TYR 61 29.334 -16.918 35.126 429 HH TYR 61 HH TYR 61 28.417 -13.760 36.017 430 H CYS 62 H CYS 62 28.715 -14.742 27.780 431 HA CYS 62 HA CYS 62 27.311 -16.377 25.764 432 HB2 CYS 62 HB2 CYS 62 25.715 -14.625 25.332 433 HB3 CYS 62 HB3 CYS 62 25.716 -14.853 27.076 434 HA PRO 63 HA PRO 63 30.364 -14.589 23.002 435 HB2 PRO 63 HB2 PRO 63 29.184 -14.560 20.568 436 HB3 PRO 63 HB3 PRO 63 29.467 -16.081 21.433 437 HG2 PRO 63 HG2 PRO 63 26.928 -14.440 21.291 438 HG3 PRO 63 HG3 PRO 63 27.143 -16.181 21.010 439 HD2 PRO 63 HD2 PRO 63 26.286 -15.184 23.404 440 HD3 PRO 63 HD3 PRO 63 27.266 -16.666 23.294 441 H ALA 64 H ALA 64 27.728 -12.699 23.864 442 HA ALA 64 HA ALA 64 27.879 -10.439 22.177 443 HB1 ALA 64 HB1 ALA 64 26.588 -9.291 23.945 444 HB2 ALA 64 HB2 ALA 64 26.933 -10.608 25.066 445 HB3 ALA 64 HB3 ALA 64 25.943 -10.906 23.637 446 H THR 65 H THR 65 29.903 -9.643 21.853 447 HA THR 65 HA THR 65 31.618 -8.900 24.139 448 HB THR 65 HB THR 65 32.332 -9.109 21.171 449 HG1 THR 65 HG1 THR 65 31.870 -11.133 22.134 450 HG21 THR 65 HG21 THR 65 33.827 -7.545 22.399 451 HG22 THR 65 HG22 THR 65 34.678 -9.022 21.948 452 HG23 THR 65 HG23 THR 65 34.136 -8.790 23.612 453 H PHE 66 H PHE 66 32.271 -6.796 24.443 454 HA PHE 66 HA PHE 66 30.988 -4.651 22.842 455 HB2 PHE 66 HB2 PHE 66 31.273 -4.737 25.901 456 HB3 PHE 66 HB3 PHE 66 30.519 -3.447 24.957 457 HD1 PHE 66 HD2 PHE 66 28.352 -3.895 23.737 458 HD2 PHE 66 HD1 PHE 66 30.034 -6.738 26.459 459 HE1 PHE 66 HE2 PHE 66 26.192 -5.059 23.872 460 HE2 PHE 66 HE1 PHE 66 27.872 -7.900 26.573 461 HZ PHE 66 HZ PHE 66 25.947 -7.059 25.285 462 H TYR 67 H TYR 67 32.219 -2.694 22.683 463 HA TYR 67 HA TYR 67 35.099 -2.915 23.262 464 HB2 TYR 67 HB2 TYR 67 33.488 -0.884 21.653 465 HB3 TYR 67 HB3 TYR 67 35.234 -0.799 21.866 466 HD1 TYR 67 HD1 TYR 67 36.652 -2.779 21.015 467 HD2 TYR 67 HD2 TYR 67 32.561 -2.245 19.891 468 HE1 TYR 67 HE1 TYR 67 36.994 -4.245 19.080 469 HE2 TYR 67 HE2 TYR 67 32.912 -3.715 17.945 470 HH TYR 67 HH TYR 67 34.895 -4.431 16.508 471 H SER 68 H SER 68 32.880 -2.365 25.311 472 HA SER 68 HA SER 68 34.172 -0.171 26.735 473 HB2 SER 68 HB2 SER 68 31.175 -0.174 26.095 474 HB3 SER 68 HB3 SER 68 31.995 0.977 27.152 475 HG SER 68 HG SER 68 33.354 1.098 24.963 476 H SER 69 H SER 69 34.219 -0.565 28.890 477 HA SER 69 HA SER 69 33.336 -3.000 30.029 478 HB2 SER 69 HB2 SER 69 35.348 -1.749 30.825 479 HB3 SER 69 HB3 SER 69 34.293 -0.498 31.475 480 HG SER 69 HG SER 69 33.319 -2.223 32.751 481 HA PRO 70 HA PRO 70 29.582 -0.129 31.842 482 HB2 PRO 70 HB2 PRO 70 28.758 1.446 29.594 483 HB3 PRO 70 HB3 PRO 70 29.404 2.045 31.128 484 HG2 PRO 70 HG2 PRO 70 30.836 1.516 28.536 485 HG3 PRO 70 HG3 PRO 70 31.082 2.831 29.707 486 HD2 PRO 70 HD2 PRO 70 32.811 0.803 29.602 487 HD3 PRO 70 HD3 PRO 70 32.302 1.433 31.185 488 H GLY 71 H GLY 71 29.918 -0.682 28.304 489 HA2 GLY 71 HA2 GLY 71 27.396 -1.819 27.804 490 HA3 GLY 71 HA3 GLY 71 28.818 -2.018 26.800 491 H LEU 72 H LEU 72 30.433 -3.321 28.698 492 HA LEU 72 HA LEU 72 29.927 -6.046 28.481 493 HB2 LEU 72 HB2 LEU 72 32.131 -5.211 29.007 494 HB3 LEU 72 HB3 LEU 72 31.556 -4.405 30.448 495 HG LEU 72 HG LEU 72 31.180 -6.663 31.510 496 HD11 LEU 72 HD11 LEU 72 32.650 -7.737 29.089 497 HD12 LEU 72 HD12 LEU 72 30.960 -8.035 29.502 498 HD13 LEU 72 HD13 LEU 72 32.239 -8.644 30.547 499 HD21 LEU 72 HD21 LEU 72 34.021 -6.067 30.620 500 HD22 LEU 72 HD22 LEU 72 33.557 -7.072 31.996 501 HD23 LEU 72 HD23 LEU 72 33.188 -5.351 32.005 502 H THR 73 H THR 73 29.435 -3.944 31.299 503 HA THR 73 HA THR 73 28.178 -5.954 32.924 504 HB THR 73 HB THR 73 28.247 -2.942 33.437 505 HG1 THR 73 HG1 THR 73 30.356 -3.380 33.187 506 HG21 THR 73 HG21 THR 73 28.294 -3.612 35.824 507 HG22 THR 73 HG22 THR 73 28.193 -5.312 35.364 508 HG23 THR 73 HG23 THR 73 26.844 -4.221 35.032 509 H ARG 74 H ARG 74 27.078 -3.525 30.675 510 HA ARG 74 HA ARG 74 24.412 -3.207 31.506 511 HB2 ARG 74 HB2 ARG 74 25.778 -2.827 28.828 512 HB3 ARG 74 HB3 ARG 74 24.027 -2.695 28.934 513 HG2 ARG 74 HG2 ARG 74 26.018 -0.996 30.483 514 HG3 ARG 74 HG3 ARG 74 25.116 -0.490 29.050 515 HD2 ARG 74 HD2 ARG 74 22.994 -0.832 30.302 516 HD3 ARG 74 HD3 ARG 74 23.930 -1.266 31.735 517 HE ARG 74 HE ARG 74 24.955 1.089 31.349 518 HH11 ARG 74 HH11 ARG 74 21.567 0.269 30.905 519 HH12 ARG 74 HH12 ARG 74 21.014 1.857 31.323 520 HH21 ARG 74 HH21 ARG 74 24.209 3.145 31.934 521 HH22 ARG 74 HH22 ARG 74 22.507 3.486 31.898 522 H HIS 75 H HIS 75 25.899 -5.713 29.426 523 HA HIS 75 HA HIS 75 23.421 -6.859 28.624 524 HB2 HIS 75 HB2 HIS 75 25.819 -7.364 27.638 525 HB3 HIS 75 HB3 HIS 75 25.888 -8.621 28.872 526 HD2 HIS 75 HD2 HIS 75 23.519 -7.555 25.926 527 HE1 HIS 75 HE1 HIS 75 22.980 -11.672 26.581 528 HE2 HIS 75 HE2 HIS 75 22.256 -9.685 25.236 529 H ILE 76 H ILE 76 25.531 -7.334 31.368 530 HA ILE 76 HA ILE 76 24.469 -9.661 32.512 531 HB ILE 76 HB ILE 76 25.813 -7.269 33.850 532 HG12 ILE 76 HG12 ILE 76 27.011 -9.898 32.832 533 HG13 ILE 76 HG13 ILE 76 27.199 -8.319 32.081 534 HG21 ILE 76 HG21 ILE 76 25.441 -10.068 34.979 535 HG22 ILE 76 HG22 ILE 76 24.633 -8.605 35.548 536 HG23 ILE 76 HG23 ILE 76 26.379 -8.773 35.729 537 HD11 ILE 76 HD11 ILE 76 28.275 -9.139 34.778 538 HD12 ILE 76 HD12 ILE 76 28.463 -7.546 34.037 539 HD13 ILE 76 HD13 ILE 76 29.190 -8.965 33.284 540 H ASN 77 H ASN 77 23.875 -6.273 33.505 541 HA ASN 77 HA ASN 77 21.857 -6.898 35.402 542 HB2 ASN 77 HB2 ASN 77 22.633 -4.238 34.135 543 HB3 ASN 77 HB3 ASN 77 21.507 -4.390 35.478 544 HD21 ASN 77 HD21 ASN 77 22.323 -5.130 37.516 545 HD22 ASN 77 HD22 ASN 77 23.999 -4.978 37.900 546 H LYS 78 H LYS 78 21.697 -6.114 31.998 547 HA LYS 78 HA LYS 78 18.867 -5.359 32.072 548 HB2 LYS 78 HB2 LYS 78 20.387 -3.997 30.733 549 HB3 LYS 78 HB3 LYS 78 20.934 -5.415 29.851 550 HG2 LYS 78 HG2 LYS 78 18.594 -5.635 28.923 551 HG3 LYS 78 HG3 LYS 78 18.209 -4.092 29.682 552 HD2 LYS 78 HD2 LYS 78 18.784 -3.819 27.283 553 HD3 LYS 78 HD3 LYS 78 19.914 -2.959 28.329 554 HE2 LYS 78 HE2 LYS 78 21.588 -4.731 28.039 555 HE3 LYS 78 HE3 LYS 78 20.449 -5.693 27.092 556 HZ1 LYS 78 HZ1 LYS 78 20.463 -4.027 25.393 557 HZ2 LYS 78 HZ2 LYS 78 22.060 -4.462 25.739 558 HZ3 LYS 78 HZ3 LYS 78 21.437 -3.009 26.325 559 H CYS 79 H CYS 79 20.864 -7.783 30.253 560 HA CYS 79 HA CYS 79 18.502 -9.508 29.886 561 HB2 CYS 79 HB2 CYS 79 20.055 -8.266 27.574 562 HB3 CYS 79 HB3 CYS 79 18.891 -9.578 27.396 563 HG CYS 79 HG CYS 79 17.193 -7.447 29.003 564 H HIS 80 H HIS 80 20.844 -9.981 31.444 565 HA HIS 80 HA HIS 80 21.421 -12.611 30.245 566 HB2 HIS 80 HB2 HIS 80 23.458 -11.009 29.981 567 HB3 HIS 80 HB3 HIS 80 23.632 -11.104 31.731 568 HD2 HIS 80 HD2 HIS 80 23.568 -14.139 32.409 569 HE1 HIS 80 HE1 HIS 80 26.064 -14.779 29.081 570 HE2 HIS 80 HE2 HIS 80 24.973 -15.848 31.086 571 HA PRO 81 HA PRO 81 19.932 -12.947 34.633 572 HB2 PRO 81 HB2 PRO 81 17.501 -13.984 34.266 573 HB3 PRO 81 HB3 PRO 81 17.811 -12.289 33.852 574 HG2 PRO 81 HG2 PRO 81 17.613 -14.684 32.036 575 HG3 PRO 81 HG3 PRO 81 16.972 -13.045 31.799 576 HD2 PRO 81 HD2 PRO 81 19.410 -14.040 30.763 577 HD3 PRO 81 HD3 PRO 81 18.948 -12.326 30.845 578 H SER 82 H SER 82 21.435 -15.002 32.724 579 HA SER 82 HA SER 82 20.544 -17.563 33.882 580 HB2 SER 82 HB2 SER 82 22.126 -18.602 32.277 581 HB3 SER 82 HB3 SER 82 21.023 -17.492 31.460 582 HG SER 82 HG SER 82 22.637 -16.249 30.962 583 H GLU 83 H GLU 83 22.549 -15.150 34.921 584 HA GLU 83 HA GLU 83 24.615 -16.940 36.080 585 HB2 GLU 83 HB2 GLU 83 26.014 -14.885 36.251 586 HB3 GLU 83 HB3 GLU 83 25.567 -15.274 34.594 587 HG2 GLU 83 HG2 GLU 83 23.813 -13.527 34.659 588 HG3 GLU 83 HG3 GLU 83 24.276 -13.126 36.312 589 H ASN 84 H ASN 84 21.835 -16.286 37.103 590 HA ASN 84 HA ASN 84 22.093 -14.777 39.520 591 HB2 ASN 84 HB2 ASN 84 19.899 -15.049 38.491 592 HB3 ASN 84 HB3 ASN 84 20.006 -16.802 38.609 593 HD21 ASN 84 HD21 ASN 84 19.554 -17.797 40.566 594 HD22 ASN 84 HD22 ASN 84 18.863 -16.966 41.915 595 H ARG 85 H ARG 85 22.117 -18.231 38.767 596 HA ARG 85 HA ARG 85 23.444 -18.819 41.356 597 HB2 ARG 85 HB2 ARG 85 21.118 -19.712 41.345 598 HB3 ARG 85 HB3 ARG 85 21.446 -20.580 39.855 599 HG2 ARG 85 HG2 ARG 85 21.525 -22.151 41.686 600 HG3 ARG 85 HG3 ARG 85 23.160 -21.952 41.057 601 HD2 ARG 85 HD2 ARG 85 23.673 -20.390 42.917 602 HD3 ARG 85 HD3 ARG 85 22.043 -20.635 43.561 603 HE ARG 85 HE ARG 85 23.681 -23.023 43.194 604 HH11 ARG 85 HH11 ARG 85 22.521 -20.634 45.484 605 HH12 ARG 85 HH12 ARG 85 22.932 -21.591 46.869 606 HH21 ARG 85 HH21 ARG 85 24.218 -24.265 45.021 607 HH22 ARG 85 HH22 ARG 85 23.883 -23.646 46.606 Start of MODEL 9 1 H1 MET 1 H1 MET 1 96.220 7.303 -33.159 2 H2 MET 1 H2 MET 1 97.731 8.055 -33.087 3 H3 MET 1 H3 MET 1 96.750 8.001 -31.713 4 HA MET 1 HA MET 1 96.923 5.606 -31.644 5 HB2 MET 1 HB2 MET 1 98.811 6.042 -33.996 6 HB3 MET 1 HB3 MET 1 98.664 4.520 -33.125 7 HG2 MET 1 HG2 MET 1 96.362 4.271 -33.859 8 HG3 MET 1 HG3 MET 1 96.395 5.865 -34.619 9 HE1 MET 1 HE1 MET 1 95.487 4.781 -36.906 10 HE2 MET 1 HE2 MET 1 95.474 3.173 -36.174 11 HE3 MET 1 HE3 MET 1 96.283 3.434 -37.718 12 H GLY 2 H GLY 2 99.115 4.455 -30.975 13 HA2 GLY 2 HA2 GLY 2 100.934 4.471 -29.560 14 HA3 GLY 2 HA3 GLY 2 101.145 6.187 -29.878 15 H HIS 3 H HIS 3 100.504 7.633 -28.368 16 HA HIS 3 HA HIS 3 99.577 8.638 -26.587 17 HB2 HIS 3 HB2 HIS 3 97.413 7.894 -27.488 18 HB3 HIS 3 HB3 HIS 3 97.562 6.367 -26.633 19 HD1 HIS 3 HD1 HIS 3 97.047 6.377 -24.083 20 HD2 HIS 3 HD2 HIS 3 96.602 10.090 -25.900 21 HE1 HIS 3 HE1 HIS 3 95.913 7.833 -22.391 22 HE2 HIS 3 HE2 HIS 3 95.836 10.113 -23.437 23 H HIS 4 H HIS 4 99.846 8.731 -24.346 24 HA HIS 4 HA HIS 4 101.589 6.825 -23.142 25 HB2 HIS 4 HB2 HIS 4 100.129 9.240 -22.002 26 HB3 HIS 4 HB3 HIS 4 101.206 8.238 -21.035 27 HD1 HIS 4 HD1 HIS 4 101.202 11.034 -23.407 28 HD2 HIS 4 HD2 HIS 4 103.973 8.326 -21.915 29 HE1 HIS 4 HE1 HIS 4 103.444 11.980 -23.990 30 HE2 HIS 4 HE2 HIS 4 105.103 10.258 -23.199 31 H HIS 5 H HIS 5 100.805 4.835 -22.797 32 HA HIS 5 HA HIS 5 98.213 4.235 -21.656 33 HB2 HIS 5 HB2 HIS 5 99.222 2.631 -23.193 34 HB3 HIS 5 HB3 HIS 5 100.689 2.543 -22.225 35 HD1 HIS 5 HD1 HIS 5 100.751 0.812 -20.391 36 HD2 HIS 5 HD2 HIS 5 96.939 1.285 -21.974 37 HE1 HIS 5 HE1 HIS 5 99.380 -1.052 -19.424 38 HE2 HIS 5 HE2 HIS 5 97.053 -0.663 -20.292 39 H HIS 6 H HIS 6 98.192 5.438 -19.726 40 HA HIS 6 HA HIS 6 99.542 4.155 -17.468 41 HB2 HIS 6 HB2 HIS 6 101.063 6.024 -18.113 42 HB3 HIS 6 HB3 HIS 6 99.732 7.165 -17.924 43 HD1 HIS 6 HD1 HIS 6 99.743 8.303 -15.703 44 HD2 HIS 6 HD2 HIS 6 101.473 4.529 -15.481 45 HE1 HIS 6 HE1 HIS 6 100.453 8.014 -13.320 46 HE2 HIS 6 HE2 HIS 6 101.356 5.681 -13.182 47 H HIS 7 H HIS 7 97.882 3.539 -16.332 48 HA HIS 7 HA HIS 7 95.531 5.263 -15.864 49 HB2 HIS 7 HB2 HIS 7 95.011 3.062 -16.742 50 HB3 HIS 7 HB3 HIS 7 96.044 2.278 -15.559 51 HD1 HIS 7 HD1 HIS 7 94.813 1.234 -13.706 52 HD2 HIS 7 HD2 HIS 7 92.689 4.419 -15.318 53 HE1 HIS 7 HE1 HIS 7 92.601 1.230 -12.537 54 HE2 HIS 7 HE2 HIS 7 91.420 3.276 -13.385 55 H HIS 8 H HIS 8 95.014 5.941 -13.822 56 HA HIS 8 HA HIS 8 96.859 5.410 -11.569 57 HB2 HIS 8 HB2 HIS 8 94.669 7.520 -11.893 58 HB3 HIS 8 HB3 HIS 8 95.714 7.358 -10.485 59 HD1 HIS 8 HD1 HIS 8 97.619 8.946 -10.497 60 HD2 HIS 8 HD2 HIS 8 96.357 8.055 -14.364 61 HE1 HIS 8 HE1 HIS 8 99.020 10.366 -12.015 62 HE2 HIS 8 HE2 HIS 8 98.054 9.998 -14.307 63 H SER 9 H SER 9 95.823 5.068 -9.405 64 HA SER 9 HA SER 9 93.514 3.268 -9.559 65 HB2 SER 9 HB2 SER 9 95.512 2.626 -8.191 66 HB3 SER 9 HB3 SER 9 95.222 4.010 -7.141 67 HG SER 9 HG SER 9 93.446 1.822 -7.575 68 H HIS 10 H HIS 10 91.569 3.624 -8.493 69 HA HIS 10 HA HIS 10 91.025 5.911 -6.844 70 HB2 HIS 10 HB2 HIS 10 91.016 6.979 -9.116 71 HB3 HIS 10 HB3 HIS 10 89.761 5.858 -9.628 72 HD1 HIS 10 HD1 HIS 10 87.399 6.671 -9.306 73 HD2 HIS 10 HD2 HIS 10 90.098 8.754 -6.928 74 HE1 HIS 10 HE1 HIS 10 86.077 8.513 -8.236 75 HE2 HIS 10 HE2 HIS 10 87.704 9.680 -6.708 76 H MET 11 H MET 11 89.700 5.018 -5.357 77 HA MET 11 HA MET 11 87.751 2.951 -6.072 78 HB2 MET 11 HB2 MET 11 87.227 2.907 -3.618 79 HB3 MET 11 HB3 MET 11 88.906 2.563 -3.992 80 HG2 MET 11 HG2 MET 11 88.892 3.921 -2.049 81 HG3 MET 11 HG3 MET 11 89.434 4.954 -3.373 82 HE1 MET 11 HE1 MET 11 87.434 7.444 -1.075 83 HE2 MET 11 HE2 MET 11 88.952 7.173 -1.927 84 HE3 MET 11 HE3 MET 11 88.496 6.123 -0.583 85 H GLY 12 H GLY 12 85.475 3.168 -5.604 86 HA2 GLY 12 HA2 GLY 12 84.116 5.520 -4.942 87 HA3 GLY 12 HA3 GLY 12 84.322 5.505 -6.691 88 H ASP 13 H ASP 13 82.984 3.710 -3.958 89 HA ASP 13 HA ASP 13 81.237 2.151 -5.789 90 HB2 ASP 13 HB2 ASP 13 82.847 0.775 -4.495 91 HB3 ASP 13 HB3 ASP 13 82.235 1.438 -2.986 92 H GLY 14 H GLY 14 79.060 2.146 -5.413 93 HA2 GLY 14 HA2 GLY 14 77.965 3.909 -3.281 94 HA3 GLY 14 HA3 GLY 14 77.296 3.762 -4.896 95 H GLU 15 H GLU 15 77.101 2.638 -1.728 96 HA GLU 15 HA GLU 15 75.820 0.080 -2.317 97 HB2 GLU 15 HB2 GLU 15 76.124 1.588 0.318 98 HB3 GLU 15 HB3 GLU 15 75.591 -0.080 0.146 99 HG2 GLU 15 HG2 GLU 15 77.831 -0.689 -0.758 100 HG3 GLU 15 HG3 GLU 15 78.352 0.981 -0.552 101 H GLY 16 H GLY 16 73.647 -0.150 -2.613 102 HA2 GLY 16 HA2 GLY 16 71.924 2.237 -2.443 103 HA3 GLY 16 HA3 GLY 16 71.589 0.757 -3.330 104 H ALA 17 H ALA 17 69.865 2.200 -1.509 105 HA ALA 17 HA ALA 17 68.903 -0.043 0.071 106 HB1 ALA 17 HB1 ALA 17 68.717 1.232 2.173 107 HB2 ALA 17 HB2 ALA 17 69.546 2.603 1.429 108 HB3 ALA 17 HB3 ALA 17 70.405 1.082 1.672 109 H GLY 18 H GLY 18 67.065 -0.105 -1.158 110 HA2 GLY 18 HA2 GLY 18 65.482 2.298 -1.709 111 HA3 GLY 18 HA3 GLY 18 65.189 0.673 -2.316 112 H VAL 19 H VAL 19 63.200 2.396 -1.220 113 HA VAL 19 HA VAL 19 62.561 1.526 1.477 114 HB VAL 19 HB VAL 19 60.530 2.894 1.259 115 HG11 VAL 19 HG11 VAL 19 62.993 4.353 0.237 116 HG12 VAL 19 HG12 VAL 19 62.593 4.033 1.925 117 HG13 VAL 19 HG13 VAL 19 61.579 5.117 0.971 118 HG21 VAL 19 HG21 VAL 19 59.948 2.465 -1.092 119 HG22 VAL 19 HG22 VAL 19 61.365 3.369 -1.635 120 HG23 VAL 19 HG23 VAL 19 60.052 4.201 -0.800 121 H LEU 20 H LEU 20 60.365 0.652 1.966 122 HA LEU 20 HA LEU 20 59.371 -1.319 -0.022 123 HB2 LEU 20 HB2 LEU 20 59.254 -1.440 3.018 124 HB3 LEU 20 HB3 LEU 20 58.594 -2.648 1.929 125 HG LEU 20 HG LEU 20 61.550 -1.997 2.279 126 HD11 LEU 20 HD11 LEU 20 61.728 -4.244 3.279 127 HD12 LEU 20 HD12 LEU 20 59.984 -4.461 3.122 128 HD13 LEU 20 HD13 LEU 20 60.626 -3.223 4.203 129 HD21 LEU 20 HD21 LEU 20 60.237 -4.103 0.518 130 HD22 LEU 20 HD22 LEU 20 61.970 -3.949 0.811 131 HD23 LEU 20 HD23 LEU 20 61.110 -2.669 -0.039 132 H GLY 21 H GLY 21 56.988 -1.957 0.708 133 HA2 GLY 21 HA2 GLY 21 54.923 -1.157 1.714 134 HA3 GLY 21 HA3 GLY 21 55.410 0.486 1.327 135 H LEU 22 H LEU 22 53.306 -1.814 0.458 136 HA LEU 22 HA LEU 22 53.374 -1.445 -2.447 137 HB2 LEU 22 HB2 LEU 22 51.464 -3.032 -0.692 138 HB3 LEU 22 HB3 LEU 22 51.464 -3.036 -2.449 139 HG LEU 22 HG LEU 22 53.728 -4.080 -0.693 140 HD11 LEU 22 HD11 LEU 22 51.770 -5.551 -0.584 141 HD12 LEU 22 HD12 LEU 22 53.074 -6.319 -1.487 142 HD13 LEU 22 HD13 LEU 22 51.702 -5.617 -2.349 143 HD21 LEU 22 HD21 LEU 22 54.715 -4.948 -2.786 144 HD22 LEU 22 HD22 LEU 22 54.609 -3.190 -2.814 145 HD23 LEU 22 HD23 LEU 22 53.442 -4.156 -3.722 146 H SER 23 H SER 23 50.968 -1.202 -3.363 147 HA SER 23 HA SER 23 49.473 0.953 -2.025 148 HB2 SER 23 HB2 SER 23 50.445 1.102 -4.923 149 HB3 SER 23 HB3 SER 23 49.425 2.295 -4.118 150 HG SER 23 HG SER 23 51.355 2.278 -2.548 151 H ALA 24 H ALA 24 47.297 1.175 -2.844 152 HA ALA 24 HA ALA 24 45.275 0.530 -3.542 153 HB1 ALA 24 HB1 ALA 24 44.987 -0.622 -5.676 154 HB2 ALA 24 HB2 ALA 24 46.695 -1.077 -5.691 155 HB3 ALA 24 HB3 ALA 24 46.226 0.621 -5.810 156 H SER 25 H SER 25 44.627 -0.550 -1.719 157 HA SER 25 HA SER 25 44.721 -3.525 -1.737 158 HB2 SER 25 HB2 SER 25 46.116 -2.577 0.099 159 HB3 SER 25 HB3 SER 25 44.716 -1.691 0.706 160 HG SER 25 HG SER 25 45.426 -4.279 1.098 161 H ALA 26 H ALA 26 42.842 -4.472 -0.440 162 HA ALA 26 HA ALA 26 40.332 -3.213 -1.344 163 HB1 ALA 26 HB1 ALA 26 40.872 -6.027 -0.333 164 HB2 ALA 26 HB2 ALA 26 40.716 -5.541 -2.023 165 HB3 ALA 26 HB3 ALA 26 39.324 -5.431 -0.940 166 H GLU 27 H GLU 27 38.409 -3.721 0.119 167 HA GLU 27 HA GLU 27 38.873 -2.628 2.793 168 HB2 GLU 27 HB2 GLU 27 36.364 -3.137 1.146 169 HB3 GLU 27 HB3 GLU 27 36.327 -2.520 2.792 170 HG2 GLU 27 HG2 GLU 27 37.431 -0.487 2.166 171 HG3 GLU 27 HG3 GLU 27 37.846 -1.128 0.578 172 H CYS 28 H CYS 28 39.528 -4.182 4.183 173 HA CYS 28 HA CYS 28 37.807 -6.572 4.589 174 HB2 CYS 28 HB2 CYS 28 40.765 -6.256 5.243 175 HB3 CYS 28 HB3 CYS 28 39.797 -7.710 5.475 176 HG CYS 28 HG CYS 28 40.040 -6.458 2.335 177 H HIS 29 H HIS 29 37.790 -7.290 6.884 178 HA HIS 29 HA HIS 29 37.614 -5.049 8.785 179 HB2 HIS 29 HB2 HIS 29 36.822 -7.970 9.229 180 HB3 HIS 29 HB3 HIS 29 36.370 -6.579 10.215 181 HD1 HIS 29 HD1 HIS 29 35.017 -4.645 8.526 182 HD2 HIS 29 HD2 HIS 29 34.740 -8.710 7.649 183 HE1 HIS 29 HE1 HIS 29 33.012 -4.895 7.042 184 HE2 HIS 29 HE2 HIS 29 32.861 -7.350 6.521 185 H LEU 30 H LEU 30 39.388 -4.612 9.977 186 HA LEU 30 HA LEU 30 41.459 -6.696 10.353 187 HB2 LEU 30 HB2 LEU 30 41.762 -3.688 10.698 188 HB3 LEU 30 HB3 LEU 30 43.036 -4.893 10.778 189 HG LEU 30 HG LEU 30 42.280 -5.426 8.267 190 HD11 LEU 30 HD11 LEU 30 41.563 -3.456 7.013 191 HD12 LEU 30 HD12 LEU 30 41.412 -2.535 8.512 192 HD13 LEU 30 HD13 LEU 30 40.358 -3.919 8.215 193 HD21 LEU 30 HD21 LEU 30 43.975 -3.006 8.940 194 HD22 LEU 30 HD22 LEU 30 43.987 -3.899 7.415 195 HD23 LEU 30 HD23 LEU 30 44.520 -4.688 8.899 196 H CYS 31 H CYS 31 42.032 -7.389 12.362 197 HA CYS 31 HA CYS 31 40.551 -6.976 14.699 198 HB2 CYS 31 HB2 CYS 31 42.008 -8.917 14.494 199 HB3 CYS 31 HB3 CYS 31 43.422 -7.897 14.273 200 HA PRO 32 HA PRO 32 41.611 -2.591 14.982 201 HB2 PRO 32 HB2 PRO 32 40.462 -2.049 17.475 202 HB3 PRO 32 HB3 PRO 32 39.592 -2.128 15.941 203 HG2 PRO 32 HG2 PRO 32 39.943 -4.279 18.026 204 HG3 PRO 32 HG3 PRO 32 38.465 -3.780 17.168 205 HD2 PRO 32 HD2 PRO 32 39.785 -5.962 16.393 206 HD3 PRO 32 HD3 PRO 32 39.124 -4.855 15.167 207 H VAL 33 H VAL 33 43.163 -4.841 16.985 208 HA VAL 33 HA VAL 33 44.796 -2.747 18.303 209 HB VAL 33 HB VAL 33 44.739 -5.651 19.192 210 HG11 VAL 33 HG11 VAL 33 45.488 -4.710 21.348 211 HG12 VAL 33 HG12 VAL 33 45.436 -3.084 20.664 212 HG13 VAL 33 HG13 VAL 33 46.584 -4.270 20.039 213 HG21 VAL 33 HG21 VAL 33 42.858 -3.466 20.179 214 HG22 VAL 33 HG22 VAL 33 43.031 -5.071 20.894 215 HG23 VAL 33 HG23 VAL 33 42.396 -4.897 19.258 216 H CYS 34 H CYS 34 44.890 -5.237 15.914 217 HA CYS 34 HA CYS 34 47.679 -4.541 15.322 218 HB2 CYS 34 HB2 CYS 34 48.361 -6.829 14.874 219 HB3 CYS 34 HB3 CYS 34 47.773 -6.733 16.525 220 H GLY 35 H GLY 35 47.794 -3.877 13.256 221 HA2 GLY 35 HA2 GLY 35 45.763 -4.029 11.321 222 HA3 GLY 35 HA3 GLY 35 47.469 -3.727 10.987 223 H GLU 36 H GLU 36 44.977 -5.799 10.426 224 HA GLU 36 HA GLU 36 46.397 -8.085 9.481 225 HB2 GLU 36 HB2 GLU 36 46.813 -8.389 11.916 226 HB3 GLU 36 HB3 GLU 36 45.092 -8.276 12.250 227 HG2 GLU 36 HG2 GLU 36 44.766 -10.394 10.926 228 HG3 GLU 36 HG3 GLU 36 46.524 -10.511 10.781 229 H SER 37 H SER 37 45.037 -8.145 7.771 230 HA SER 37 HA SER 37 42.280 -7.348 7.935 231 HB2 SER 37 HB2 SER 37 42.392 -7.801 5.419 232 HB3 SER 37 HB3 SER 37 43.526 -6.607 6.045 233 HG SER 37 HG SER 37 44.131 -9.336 5.485 234 H PHE 38 H PHE 38 40.477 -8.559 7.884 235 HA PHE 38 HA PHE 38 40.582 -11.445 7.240 236 HB2 PHE 38 HB2 PHE 38 38.987 -10.149 9.503 237 HB3 PHE 38 HB3 PHE 38 38.837 -11.831 9.005 238 HD1 PHE 38 HD2 PHE 38 40.987 -13.285 9.116 239 HD2 PHE 38 HD1 PHE 38 40.532 -9.578 11.209 240 HE1 PHE 38 HE2 PHE 38 42.746 -13.953 10.693 241 HE2 PHE 38 HE1 PHE 38 42.300 -10.255 12.777 242 HZ PHE 38 HZ PHE 38 43.402 -12.446 12.525 243 H ALA 39 H ALA 39 38.723 -12.232 6.158 244 HA ALA 39 HA ALA 39 37.156 -10.362 4.637 245 HB1 ALA 39 HB1 ALA 39 36.110 -12.386 3.677 246 HB2 ALA 39 HB2 ALA 39 36.908 -13.381 4.898 247 HB3 ALA 39 HB3 ALA 39 37.869 -12.521 3.694 248 H SER 40 H SER 40 36.709 -12.176 7.582 249 HA SER 40 HA SER 40 33.878 -11.307 7.814 250 HB2 SER 40 HB2 SER 40 35.194 -13.733 9.106 251 HB3 SER 40 HB3 SER 40 33.485 -13.297 9.176 252 HG SER 40 HG SER 40 34.978 -14.115 6.902 253 H LYS 41 H LYS 41 33.149 -10.690 9.911 254 HA LYS 41 HA LYS 41 35.104 -9.427 11.629 255 HB2 LYS 41 HB2 LYS 41 32.851 -8.426 11.197 256 HB3 LYS 41 HB3 LYS 41 32.099 -9.774 12.049 257 HG2 LYS 41 HG2 LYS 41 33.391 -9.107 14.109 258 HG3 LYS 41 HG3 LYS 41 33.972 -7.691 13.233 259 HD2 LYS 41 HD2 LYS 41 31.651 -6.879 12.999 260 HD3 LYS 41 HD3 LYS 41 31.058 -8.310 13.849 261 HE2 LYS 41 HE2 LYS 41 32.368 -7.627 15.854 262 HE3 LYS 41 HE3 LYS 41 32.886 -6.175 14.998 263 HZ1 LYS 41 HZ1 LYS 41 30.607 -5.453 14.890 264 HZ2 LYS 41 HZ2 LYS 41 31.039 -5.760 16.493 265 HZ3 LYS 41 HZ3 LYS 41 30.078 -6.863 15.651 266 H GLY 42 H GLY 42 33.459 -12.508 11.506 267 HA2 GLY 42 HA2 GLY 42 33.645 -13.358 14.188 268 HA3 GLY 42 HA3 GLY 42 33.626 -14.408 12.783 269 H ALA 43 H ALA 43 35.959 -13.607 11.527 270 HA ALA 43 HA ALA 43 38.024 -14.932 13.034 271 HB1 ALA 43 HB1 ALA 43 39.374 -14.597 10.999 272 HB2 ALA 43 HB2 ALA 43 38.135 -13.526 10.339 273 HB3 ALA 43 HB3 ALA 43 37.772 -15.231 10.603 274 H GLN 44 H GLN 44 37.011 -11.664 12.648 275 HA GLN 44 HA GLN 44 39.488 -10.380 13.408 276 HB2 GLN 44 HB2 GLN 44 37.904 -9.172 12.019 277 HB3 GLN 44 HB3 GLN 44 36.609 -9.418 13.181 278 HG2 GLN 44 HG2 GLN 44 37.786 -7.922 14.782 279 HG3 GLN 44 HG3 GLN 44 39.037 -7.638 13.574 280 HE21 GLN 44 HE21 GLN 44 35.669 -7.057 14.377 281 HE22 GLN 44 HE22 GLN 44 35.422 -5.777 13.252 282 H GLU 45 H GLU 45 36.377 -11.069 15.035 283 HA GLU 45 HA GLU 45 37.070 -9.817 17.490 284 HB2 GLU 45 HB2 GLU 45 34.839 -11.806 16.932 285 HB3 GLU 45 HB3 GLU 45 35.000 -10.866 18.410 286 HG2 GLU 45 HG2 GLU 45 34.433 -9.825 15.631 287 HG3 GLU 45 HG3 GLU 45 33.331 -9.857 16.999 288 H ARG 46 H ARG 46 37.648 -13.020 16.246 289 HA ARG 46 HA ARG 46 37.995 -14.314 18.759 290 HB2 ARG 46 HB2 ARG 46 38.918 -16.192 17.550 291 HB3 ARG 46 HB3 ARG 46 37.517 -15.580 16.699 292 HG2 ARG 46 HG2 ARG 46 38.861 -15.897 14.888 293 HG3 ARG 46 HG3 ARG 46 39.404 -14.273 15.303 294 HD2 ARG 46 HD2 ARG 46 41.320 -15.706 14.837 295 HD3 ARG 46 HD3 ARG 46 41.321 -15.247 16.539 296 HE ARG 46 HE ARG 46 40.112 -17.581 16.732 297 HH11 ARG 46 HH11 ARG 46 42.943 -16.795 14.789 298 HH12 ARG 46 HH12 ARG 46 43.564 -18.412 14.854 299 HH21 ARG 46 HH21 ARG 46 40.930 -19.672 16.758 300 HH22 ARG 46 HH22 ARG 46 42.432 -20.029 15.970 301 H HIS 47 H HIS 47 40.221 -12.576 16.582 302 HA HIS 47 HA HIS 47 42.622 -13.279 17.957 303 HB2 HIS 47 HB2 HIS 47 42.280 -12.093 15.556 304 HB3 HIS 47 HB3 HIS 47 42.501 -10.621 16.495 305 HD2 HIS 47 HD2 HIS 47 44.430 -13.846 15.478 306 HE1 HIS 47 HE1 HIS 47 47.231 -11.226 17.214 307 HE2 HIS 47 HE2 HIS 47 46.916 -13.348 15.896 308 H LEU 48 H LEU 48 40.161 -10.962 18.452 309 HA LEU 48 HA LEU 48 41.484 -9.321 20.377 310 HB2 LEU 48 HB2 LEU 48 38.535 -9.713 19.744 311 HB3 LEU 48 HB3 LEU 48 39.188 -8.438 20.761 312 HG LEU 48 HG LEU 48 39.906 -8.776 17.822 313 HD11 LEU 48 HD11 LEU 48 37.976 -6.755 18.977 314 HD12 LEU 48 HD12 LEU 48 37.498 -8.210 18.112 315 HD13 LEU 48 HD13 LEU 48 38.423 -6.962 17.285 316 HD21 LEU 48 HD21 LEU 48 41.636 -7.614 19.114 317 HD22 LEU 48 HD22 LEU 48 40.437 -6.476 19.734 318 HD23 LEU 48 HD23 LEU 48 40.827 -6.500 18.014 319 H ARG 49 H ARG 49 38.773 -11.698 20.782 320 HA ARG 49 HA ARG 49 38.870 -11.578 23.596 321 HB2 ARG 49 HB2 ARG 49 37.294 -13.520 23.568 322 HB3 ARG 49 HB3 ARG 49 36.812 -12.174 22.554 323 HG2 ARG 49 HG2 ARG 49 36.275 -14.004 21.230 324 HG3 ARG 49 HG3 ARG 49 37.851 -13.535 20.596 325 HD2 ARG 49 HD2 ARG 49 37.687 -15.965 20.819 326 HD3 ARG 49 HD3 ARG 49 38.912 -15.333 21.923 327 HE ARG 49 HE ARG 49 36.161 -16.049 22.767 328 HH11 ARG 49 HH11 ARG 49 39.618 -16.063 23.404 329 HH12 ARG 49 HH12 ARG 49 39.454 -16.923 24.895 330 HH21 ARG 49 HH21 ARG 49 35.982 -17.189 24.734 331 HH22 ARG 49 HH22 ARG 49 37.414 -17.543 25.651 332 H LEU 50 H LEU 50 40.816 -13.488 21.434 333 HA LEU 50 HA LEU 50 41.781 -15.301 23.478 334 HB2 LEU 50 HB2 LEU 50 42.890 -14.614 20.732 335 HB3 LEU 50 HB3 LEU 50 43.582 -15.831 21.791 336 HG LEU 50 HG LEU 50 40.791 -15.950 20.580 337 HD11 LEU 50 HD11 LEU 50 42.537 -16.239 18.872 338 HD12 LEU 50 HD12 LEU 50 41.663 -17.743 19.149 339 HD13 LEU 50 HD13 LEU 50 43.276 -17.526 19.833 340 HD21 LEU 50 HD21 LEU 50 40.869 -17.104 22.742 341 HD22 LEU 50 HD22 LEU 50 42.281 -18.027 22.220 342 HD23 LEU 50 HD23 LEU 50 40.722 -18.266 21.424 343 H LEU 51 H LEU 51 43.688 -12.892 21.579 344 HA LEU 51 HA LEU 51 45.471 -12.545 23.915 345 HB2 LEU 51 HB2 LEU 51 45.920 -11.924 20.973 346 HB3 LEU 51 HB3 LEU 51 47.095 -11.626 22.243 347 HG LEU 51 HG LEU 51 46.078 -14.366 21.392 348 HD11 LEU 51 HD11 LEU 51 48.786 -13.076 20.936 349 HD12 LEU 51 HD12 LEU 51 47.556 -13.369 19.704 350 HD13 LEU 51 HD13 LEU 51 48.340 -14.729 20.507 351 HD21 LEU 51 HD21 LEU 51 46.596 -14.359 23.793 352 HD22 LEU 51 HD22 LEU 51 48.185 -13.659 23.469 353 HD23 LEU 51 HD23 LEU 51 47.804 -15.286 22.902 354 H HIS 52 H HIS 52 43.869 -10.621 21.396 355 HA HIS 52 HA HIS 52 44.783 -8.110 22.553 356 HB2 HIS 52 HB2 HIS 52 43.617 -8.951 19.883 357 HB3 HIS 52 HB3 HIS 52 43.591 -7.244 20.336 358 HD2 HIS 52 HD2 HIS 52 46.653 -7.855 21.906 359 HE1 HIS 52 HE1 HIS 52 47.836 -7.597 17.899 360 HE2 HIS 52 HE2 HIS 52 48.529 -7.238 20.272 361 H ALA 53 H ALA 53 43.170 -9.134 24.318 362 HA ALA 53 HA ALA 53 40.387 -8.358 23.948 363 HB1 ALA 53 HB1 ALA 53 40.926 -10.593 24.836 364 HB2 ALA 53 HB2 ALA 53 39.973 -9.650 25.982 365 HB3 ALA 53 HB3 ALA 53 41.711 -9.854 26.233 366 H ALA 54 H ALA 54 43.012 -6.628 24.853 367 HA ALA 54 HA ALA 54 42.141 -5.421 27.302 368 HB1 ALA 54 HB1 ALA 54 44.136 -4.375 25.273 369 HB2 ALA 54 HB2 ALA 54 44.508 -5.457 26.616 370 HB3 ALA 54 HB3 ALA 54 43.948 -3.812 26.933 371 H GLN 55 H GLN 55 41.696 -4.646 23.881 372 HA GLN 55 HA GLN 55 40.335 -2.133 24.386 373 HB2 GLN 55 HB2 GLN 55 40.882 -3.736 21.870 374 HB3 GLN 55 HB3 GLN 55 39.831 -2.325 21.842 375 HG2 GLN 55 HG2 GLN 55 42.720 -2.280 22.759 376 HG3 GLN 55 HG3 GLN 55 42.173 -1.850 21.139 377 HE21 GLN 55 HE21 GLN 55 43.564 -0.195 23.122 378 HE22 GLN 55 HE22 GLN 55 42.549 1.173 23.412 379 H VAL 56 H VAL 56 39.395 -5.489 23.951 380 HA VAL 56 HA VAL 56 36.567 -4.684 23.622 381 HB VAL 56 HB VAL 56 36.066 -6.925 22.806 382 HG11 VAL 56 HG11 VAL 56 36.734 -5.208 21.186 383 HG12 VAL 56 HG12 VAL 56 37.234 -6.812 20.658 384 HG13 VAL 56 HG13 VAL 56 38.426 -5.705 21.337 385 HG21 VAL 56 HG21 VAL 56 39.028 -7.564 23.090 386 HG22 VAL 56 HG22 VAL 56 37.813 -8.596 22.335 387 HG23 VAL 56 HG23 VAL 56 37.725 -8.259 24.062 388 H PHE 57 H PHE 57 34.940 -6.024 24.650 389 HA PHE 57 HA PHE 57 35.638 -6.837 27.396 390 HB2 PHE 57 HB2 PHE 57 33.452 -4.852 26.599 391 HB3 PHE 57 HB3 PHE 57 33.735 -5.462 28.225 392 HD1 PHE 57 HD1 PHE 57 35.743 -4.755 29.505 393 HD2 PHE 57 HD2 PHE 57 34.880 -3.118 25.646 394 HE1 PHE 57 HE1 PHE 57 37.359 -2.945 29.904 395 HE2 PHE 57 HE2 PHE 57 36.489 -1.310 26.062 396 HZ PHE 57 HZ PHE 57 37.734 -1.223 28.185 397 HA PRO 58 HA PRO 58 32.700 -9.916 25.503 398 HB2 PRO 58 HB2 PRO 58 33.919 -12.178 26.424 399 HB3 PRO 58 HB3 PRO 58 34.462 -11.329 24.970 400 HG2 PRO 58 HG2 PRO 58 35.587 -11.222 27.759 401 HG3 PRO 58 HG3 PRO 58 36.446 -11.322 26.208 402 HD2 PRO 58 HD2 PRO 58 36.115 -8.971 27.601 403 HD3 PRO 58 HD3 PRO 58 36.288 -9.037 25.834 404 H CYS 59 H CYS 59 30.815 -9.754 26.690 405 HA CYS 59 HA CYS 59 30.573 -10.378 29.485 406 HB2 CYS 59 HB2 CYS 59 28.755 -9.167 28.500 407 HB3 CYS 59 HB3 CYS 59 28.611 -10.291 27.165 408 H LYS 60 H LYS 60 31.264 -12.350 30.237 409 HA LYS 60 HA LYS 60 32.502 -13.981 28.305 410 HB2 LYS 60 HB2 LYS 60 32.193 -14.642 31.254 411 HB3 LYS 60 HB3 LYS 60 33.443 -15.235 30.165 412 HG2 LYS 60 HG2 LYS 60 34.356 -12.948 29.965 413 HG3 LYS 60 HG3 LYS 60 33.087 -12.356 31.035 414 HD2 LYS 60 HD2 LYS 60 35.305 -14.299 31.785 415 HD3 LYS 60 HD3 LYS 60 35.195 -12.606 32.258 416 HE2 LYS 60 HE2 LYS 60 34.474 -13.763 34.175 417 HE3 LYS 60 HE3 LYS 60 32.963 -13.281 33.410 418 HZ1 LYS 60 HZ1 LYS 60 34.218 -15.952 33.093 419 HZ2 LYS 60 HZ2 LYS 60 32.676 -15.495 32.574 420 HZ3 LYS 60 HZ3 LYS 60 33.019 -15.601 34.220 421 H TYR 61 H TYR 61 29.490 -14.391 29.923 422 HA TYR 61 HA TYR 61 29.248 -17.222 29.880 423 HB2 TYR 61 HB2 TYR 61 26.982 -15.182 29.917 424 HB3 TYR 61 HB3 TYR 61 26.948 -16.827 30.552 425 HD1 TYR 61 HD2 TYR 61 28.663 -17.354 32.498 426 HD2 TYR 61 HD1 TYR 61 27.508 -13.383 31.408 427 HE1 TYR 61 HE2 TYR 61 29.393 -16.532 34.688 428 HE2 TYR 61 HE1 TYR 61 28.254 -12.567 33.608 429 HH TYR 61 HH TYR 61 30.099 -14.512 35.761 430 H CYS 62 H CYS 62 28.741 -14.761 27.513 431 HA CYS 62 HA CYS 62 27.839 -16.735 25.507 432 HB2 CYS 62 HB2 CYS 62 26.711 -14.821 24.344 433 HB3 CYS 62 HB3 CYS 62 26.020 -15.128 25.934 434 HA PRO 63 HA PRO 63 31.701 -15.287 23.458 435 HB2 PRO 63 HB2 PRO 63 31.307 -16.414 20.983 436 HB3 PRO 63 HB3 PRO 63 31.829 -17.352 22.389 437 HG2 PRO 63 HG2 PRO 63 29.049 -17.039 21.255 438 HG3 PRO 63 HG3 PRO 63 29.884 -18.523 21.771 439 HD2 PRO 63 HD2 PRO 63 28.077 -17.280 23.370 440 HD3 PRO 63 HD3 PRO 63 29.508 -18.092 24.047 441 H ALA 64 H ALA 64 30.731 -13.133 23.761 442 HA ALA 64 HA ALA 64 30.104 -11.780 21.237 443 HB1 ALA 64 HB1 ALA 64 28.151 -10.605 22.206 444 HB2 ALA 64 HB2 ALA 64 28.295 -11.559 23.684 445 HB3 ALA 64 HB3 ALA 64 27.886 -12.349 22.160 446 H THR 65 H THR 65 31.761 -10.391 21.174 447 HA THR 65 HA THR 65 32.811 -9.141 23.612 448 HB THR 65 HB THR 65 34.562 -8.234 21.872 449 HG1 THR 65 HG1 THR 65 34.521 -9.108 19.915 450 HG21 THR 65 HG21 THR 65 34.419 -11.221 22.435 451 HG22 THR 65 HG22 THR 65 35.113 -9.998 23.503 452 HG23 THR 65 HG23 THR 65 35.856 -10.330 21.938 453 H PHE 66 H PHE 66 32.777 -7.051 24.042 454 HA PHE 66 HA PHE 66 31.341 -5.147 22.278 455 HB2 PHE 66 HB2 PHE 66 31.716 -5.134 25.314 456 HB3 PHE 66 HB3 PHE 66 30.956 -3.830 24.395 457 HD1 PHE 66 HD2 PHE 66 30.560 -7.355 25.525 458 HD2 PHE 66 HD1 PHE 66 28.712 -4.076 23.477 459 HE1 PHE 66 HE2 PHE 66 28.393 -8.518 25.588 460 HE2 PHE 66 HE1 PHE 66 26.556 -5.259 23.539 461 HZ PHE 66 HZ PHE 66 26.399 -7.473 24.594 462 H TYR 67 H TYR 67 32.184 -2.849 22.515 463 HA TYR 67 HA TYR 67 35.146 -2.808 22.836 464 HB2 TYR 67 HB2 TYR 67 34.178 -2.520 20.471 465 HB3 TYR 67 HB3 TYR 67 33.524 -0.983 21.013 466 HD1 TYR 67 HD1 TYR 67 36.826 -2.833 20.844 467 HD2 TYR 67 HD2 TYR 67 34.842 0.960 20.608 468 HE1 TYR 67 HE1 TYR 67 38.934 -1.756 20.196 469 HE2 TYR 67 HE2 TYR 67 36.963 2.019 19.967 470 HH TYR 67 HH TYR 67 39.311 1.672 20.088 471 H SER 68 H SER 68 32.495 -2.066 24.453 472 HA SER 68 HA SER 68 33.622 0.322 25.770 473 HB2 SER 68 HB2 SER 68 31.310 1.220 26.042 474 HB3 SER 68 HB3 SER 68 31.732 1.054 24.335 475 HG SER 68 HG SER 68 29.611 0.257 24.890 476 H SER 69 H SER 69 33.590 0.254 27.968 477 HA SER 69 HA SER 69 33.202 -2.135 29.395 478 HB2 SER 69 HB2 SER 69 33.347 0.677 30.560 479 HB3 SER 69 HB3 SER 69 33.680 -0.834 31.409 480 HG SER 69 HG SER 69 35.647 -0.145 30.813 481 HA PRO 70 HA PRO 70 28.805 -0.127 30.842 482 HB2 PRO 70 HB2 PRO 70 27.602 1.179 28.653 483 HB3 PRO 70 HB3 PRO 70 28.293 1.978 30.071 484 HG2 PRO 70 HG2 PRO 70 29.551 1.470 27.385 485 HG3 PRO 70 HG3 PRO 70 29.619 2.931 28.397 486 HD2 PRO 70 HD2 PRO 70 31.695 1.261 28.323 487 HD3 PRO 70 HD3 PRO 70 31.194 1.979 29.866 488 H GLY 71 H GLY 71 29.408 -0.882 27.365 489 HA2 GLY 71 HA2 GLY 71 27.083 -2.370 26.832 490 HA3 GLY 71 HA3 GLY 71 28.600 -2.521 25.956 491 H LEU 72 H LEU 72 30.233 -3.436 28.020 492 HA LEU 72 HA LEU 72 29.921 -6.194 28.213 493 HB2 LEU 72 HB2 LEU 72 32.031 -5.085 28.646 494 HB3 LEU 72 HB3 LEU 72 31.348 -4.190 29.985 495 HG LEU 72 HG LEU 72 31.157 -6.310 31.293 496 HD11 LEU 72 HD11 LEU 72 30.968 -7.921 29.458 497 HD12 LEU 72 HD12 LEU 72 32.287 -8.342 30.545 498 HD13 LEU 72 HD13 LEU 72 32.643 -7.596 28.985 499 HD21 LEU 72 HD21 LEU 72 33.117 -4.878 31.585 500 HD22 LEU 72 HD22 LEU 72 33.948 -5.715 30.269 501 HD23 LEU 72 HD23 LEU 72 33.552 -6.576 31.760 502 H THR 73 H THR 73 29.231 -3.727 30.681 503 HA THR 73 HA THR 73 28.154 -5.497 32.627 504 HB THR 73 HB THR 73 27.757 -2.473 32.452 505 HG1 THR 73 HG1 THR 73 29.762 -2.204 33.121 506 HG21 THR 73 HG21 THR 73 27.881 -4.330 34.871 507 HG22 THR 73 HG22 THR 73 26.428 -3.558 34.235 508 HG23 THR 73 HG23 THR 73 27.708 -2.566 34.923 509 H ARG 74 H ARG 74 26.738 -3.792 29.905 510 HA ARG 74 HA ARG 74 24.009 -3.827 30.799 511 HB2 ARG 74 HB2 ARG 74 25.308 -3.338 28.092 512 HB3 ARG 74 HB3 ARG 74 23.557 -3.384 28.270 513 HG2 ARG 74 HG2 ARG 74 23.652 -1.493 29.845 514 HG3 ARG 74 HG3 ARG 74 25.410 -1.468 29.719 515 HD2 ARG 74 HD2 ARG 74 25.261 -0.865 27.356 516 HD3 ARG 74 HD3 ARG 74 23.497 -0.965 27.414 517 HE ARG 74 HE ARG 74 24.987 0.949 29.110 518 HH11 ARG 74 HH11 ARG 74 22.505 0.362 26.711 519 HH12 ARG 74 HH12 ARG 74 21.902 1.986 26.757 520 HH21 ARG 74 HH21 ARG 74 24.188 3.100 29.137 521 HH22 ARG 74 HH22 ARG 74 22.848 3.532 28.129 522 H HIS 75 H HIS 75 25.972 -6.048 28.770 523 HA HIS 75 HA HIS 75 23.709 -7.698 28.100 524 HB2 HIS 75 HB2 HIS 75 26.176 -7.575 26.973 525 HB3 HIS 75 HB3 HIS 75 26.428 -8.978 28.003 526 HD2 HIS 75 HD2 HIS 75 24.391 -7.849 24.914 527 HE1 HIS 75 HE1 HIS 75 23.562 -11.933 25.456 528 HE2 HIS 75 HE2 HIS 75 23.309 -9.958 23.926 529 H ILE 76 H ILE 76 25.895 -7.523 30.808 530 HA ILE 76 HA ILE 76 25.058 -10.038 31.943 531 HB ILE 76 HB ILE 76 26.316 -7.637 33.357 532 HG12 ILE 76 HG12 ILE 76 27.664 -10.142 32.223 533 HG13 ILE 76 HG13 ILE 76 27.740 -8.538 31.504 534 HG21 ILE 76 HG21 ILE 76 25.210 -9.179 34.949 535 HG22 ILE 76 HG22 ILE 76 26.959 -9.255 35.129 536 HG23 ILE 76 HG23 ILE 76 26.109 -10.548 34.278 537 HD11 ILE 76 HD11 ILE 76 29.779 -9.056 32.682 538 HD12 ILE 76 HD12 ILE 76 28.887 -9.338 34.176 539 HD13 ILE 76 HD13 ILE 76 28.948 -7.717 33.474 540 H ASN 77 H ASN 77 24.435 -6.656 32.950 541 HA ASN 77 HA ASN 77 22.566 -6.998 34.892 542 HB2 ASN 77 HB2 ASN 77 23.668 -4.858 34.169 543 HB3 ASN 77 HB3 ASN 77 22.530 -4.749 32.846 544 HD21 ASN 77 HD21 ASN 77 22.844 -4.641 36.359 545 HD22 ASN 77 HD22 ASN 77 21.374 -3.780 36.652 546 H LYS 78 H LYS 78 21.891 -6.810 31.422 547 HA LYS 78 HA LYS 78 19.007 -7.156 31.816 548 HB2 LYS 78 HB2 LYS 78 19.870 -5.473 30.224 549 HB3 LYS 78 HB3 LYS 78 20.677 -6.741 29.309 550 HG2 LYS 78 HG2 LYS 78 18.494 -7.722 28.708 551 HG3 LYS 78 HG3 LYS 78 17.665 -6.479 29.646 552 HD2 LYS 78 HD2 LYS 78 19.404 -5.983 27.192 553 HD3 LYS 78 HD3 LYS 78 17.641 -5.977 27.215 554 HE2 LYS 78 HE2 LYS 78 17.647 -4.048 28.724 555 HE3 LYS 78 HE3 LYS 78 19.411 -4.058 28.766 556 HZ1 LYS 78 HZ1 LYS 78 17.753 -3.606 26.342 557 HZ2 LYS 78 HZ2 LYS 78 19.440 -3.562 26.408 558 HZ3 LYS 78 HZ3 LYS 78 18.532 -2.402 27.234 559 H CYS 79 H CYS 79 21.650 -8.852 30.006 560 HA CYS 79 HA CYS 79 19.637 -10.886 29.218 561 HB2 CYS 79 HB2 CYS 79 20.671 -9.574 27.407 562 HB3 CYS 79 HB3 CYS 79 22.261 -10.172 27.877 563 HG CYS 79 HG CYS 79 19.686 -12.005 26.560 564 H HIS 80 H HIS 80 22.436 -10.594 31.137 565 HA HIS 80 HA HIS 80 22.529 -13.490 31.635 566 HB2 HIS 80 HB2 HIS 80 24.824 -11.838 30.527 567 HB3 HIS 80 HB3 HIS 80 25.225 -13.055 31.744 568 HD2 HIS 80 HD2 HIS 80 23.744 -15.592 31.021 569 HE1 HIS 80 HE1 HIS 80 24.627 -15.026 26.951 570 HE2 HIS 80 HE2 HIS 80 23.749 -16.631 28.671 571 HA PRO 81 HA PRO 81 22.526 -10.090 34.899 572 HB2 PRO 81 HB2 PRO 81 20.132 -10.414 36.109 573 HB3 PRO 81 HB3 PRO 81 20.291 -9.662 34.516 574 HG2 PRO 81 HG2 PRO 81 19.447 -12.458 35.217 575 HG3 PRO 81 HG3 PRO 81 18.794 -11.372 33.977 576 HD2 PRO 81 HD2 PRO 81 20.615 -13.426 33.493 577 HD3 PRO 81 HD3 PRO 81 20.375 -12.020 32.429 578 H SER 82 H SER 82 24.271 -11.147 35.847 579 HA SER 82 HA SER 82 25.499 -12.118 37.439 580 HB2 SER 82 HB2 SER 82 23.080 -11.475 39.168 581 HB3 SER 82 HB3 SER 82 24.685 -11.865 39.783 582 HG SER 82 HG SER 82 25.258 -9.976 38.232 583 H GLU 83 H GLU 83 25.607 -14.115 36.517 584 HA GLU 83 HA GLU 83 23.617 -16.120 36.650 585 HB2 GLU 83 HB2 GLU 83 26.569 -16.241 35.910 586 HB3 GLU 83 HB3 GLU 83 25.432 -17.563 35.646 587 HG2 GLU 83 HG2 GLU 83 25.297 -14.805 34.381 588 HG3 GLU 83 HG3 GLU 83 25.830 -16.281 33.583 589 H ASN 84 H ASN 84 25.610 -15.070 39.084 590 HA ASN 84 HA ASN 84 25.880 -17.597 40.523 591 HB2 ASN 84 HB2 ASN 84 26.489 -14.736 41.428 592 HB3 ASN 84 HB3 ASN 84 27.004 -16.218 42.230 593 HD21 ASN 84 HD21 ASN 84 28.436 -13.868 40.898 594 HD22 ASN 84 HD22 ASN 84 29.587 -14.623 39.860 595 H ARG 85 H ARG 85 23.575 -18.048 40.569 596 HA ARG 85 HA ARG 85 21.592 -18.308 41.595 597 HB2 ARG 85 HB2 ARG 85 22.946 -18.374 43.678 598 HB3 ARG 85 HB3 ARG 85 22.816 -16.632 43.822 599 HG2 ARG 85 HG2 ARG 85 20.146 -17.385 43.748 600 HG3 ARG 85 HG3 ARG 85 20.875 -18.747 44.595 601 HD2 ARG 85 HD2 ARG 85 20.104 -17.085 46.198 602 HD3 ARG 85 HD3 ARG 85 21.871 -17.151 46.232 603 HE ARG 85 HE ARG 85 21.347 -15.156 44.447 604 HH11 ARG 85 HH11 ARG 85 20.329 -15.647 47.795 605 HH12 ARG 85 HH12 ARG 85 20.232 -13.948 48.127 606 HH21 ARG 85 HH21 ARG 85 21.190 -12.961 44.901 607 HH22 ARG 85 HH22 ARG 85 20.691 -12.420 46.473 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -1.385 -9.634 -10.624 2 H2 MET 1 H2 MET 1 -1.290 -7.966 -10.391 3 H3 MET 1 H3 MET 1 -2.655 -8.807 -9.866 4 HA MET 1 HA MET 1 -1.202 -8.208 -8.049 5 HB2 MET 1 HB2 MET 1 -1.147 -10.403 -6.964 6 HB3 MET 1 HB3 MET 1 -2.618 -10.256 -7.912 7 HG2 MET 1 HG2 MET 1 -0.148 -11.777 -8.770 8 HG3 MET 1 HG3 MET 1 -1.610 -12.493 -8.091 9 HE1 MET 1 HE1 MET 1 -1.752 -13.603 -11.853 10 HE2 MET 1 HE2 MET 1 -1.721 -14.144 -10.180 11 HE3 MET 1 HE3 MET 1 -0.284 -13.406 -10.894 12 H GLY 2 H GLY 2 0.804 -9.010 -6.854 13 HA2 GLY 2 HA2 GLY 2 3.042 -10.093 -8.224 14 HA3 GLY 2 HA3 GLY 2 3.139 -8.335 -8.227 15 H HIS 3 H HIS 3 5.144 -9.604 -7.046 16 HA HIS 3 HA HIS 3 4.760 -9.198 -4.131 17 HB2 HIS 3 HB2 HIS 3 6.318 -11.480 -5.435 18 HB3 HIS 3 HB3 HIS 3 6.341 -11.112 -3.714 19 HD1 HIS 3 HD1 HIS 3 5.183 -13.713 -5.431 20 HD2 HIS 3 HD2 HIS 3 3.097 -10.907 -3.201 21 HE1 HIS 3 HE1 HIS 3 3.070 -14.844 -4.726 22 HE2 HIS 3 HE2 HIS 3 1.905 -13.182 -3.241 23 H HIS 4 H HIS 4 6.196 -7.764 -3.336 24 HA HIS 4 HA HIS 4 8.862 -7.432 -4.579 25 HB2 HIS 4 HB2 HIS 4 6.974 -5.152 -3.825 26 HB3 HIS 4 HB3 HIS 4 8.680 -4.936 -4.204 27 HD1 HIS 4 HD1 HIS 4 9.360 -5.010 -6.675 28 HD2 HIS 4 HD2 HIS 4 5.308 -5.712 -6.072 29 HE1 HIS 4 HE1 HIS 4 8.297 -4.822 -8.937 30 HE2 HIS 4 HE2 HIS 4 5.851 -5.236 -8.542 31 H HIS 5 H HIS 5 10.340 -7.866 -3.021 32 HA HIS 5 HA HIS 5 9.615 -7.751 -0.200 33 HB2 HIS 5 HB2 HIS 5 11.820 -8.824 0.218 34 HB3 HIS 5 HB3 HIS 5 10.867 -9.716 -0.954 35 HD1 HIS 5 HD1 HIS 5 11.847 -10.005 -3.293 36 HD2 HIS 5 HD2 HIS 5 14.164 -7.576 -0.855 37 HE1 HIS 5 HE1 HIS 5 14.030 -9.737 -4.493 38 HE2 HIS 5 HE2 HIS 5 15.299 -8.061 -3.108 39 H HIS 6 H HIS 6 10.249 -6.267 1.215 40 HA HIS 6 HA HIS 6 12.188 -4.152 0.485 41 HB2 HIS 6 HB2 HIS 6 9.870 -3.382 1.091 42 HB3 HIS 6 HB3 HIS 6 10.035 -4.148 2.667 43 HD1 HIS 6 HD1 HIS 6 11.146 -2.777 4.477 44 HD2 HIS 6 HD2 HIS 6 11.606 -1.089 0.714 45 HE1 HIS 6 HE1 HIS 6 12.118 -0.506 4.868 46 HE2 HIS 6 HE2 HIS 6 12.437 0.472 2.576 47 H HIS 7 H HIS 7 13.815 -5.803 0.860 48 HA HIS 7 HA HIS 7 14.425 -6.362 3.713 49 HB2 HIS 7 HB2 HIS 7 13.595 -8.390 2.405 50 HB3 HIS 7 HB3 HIS 7 15.024 -8.245 1.381 51 HD1 HIS 7 HD1 HIS 7 17.193 -9.217 2.314 52 HD2 HIS 7 HD2 HIS 7 14.150 -9.128 5.133 53 HE1 HIS 7 HE1 HIS 7 18.054 -10.509 4.275 54 HE2 HIS 7 HE2 HIS 7 16.185 -10.483 5.953 55 H HIS 8 H HIS 8 16.391 -5.706 4.352 56 HA HIS 8 HA HIS 8 18.251 -4.478 4.427 57 HB2 HIS 8 HB2 HIS 8 18.861 -5.835 1.778 58 HB3 HIS 8 HB3 HIS 8 19.995 -4.719 2.535 59 HD1 HIS 8 HD1 HIS 8 19.863 -8.094 2.120 60 HD2 HIS 8 HD2 HIS 8 20.079 -5.767 5.553 61 HE1 HIS 8 HE1 HIS 8 20.808 -9.584 3.894 62 HE2 HIS 8 HE2 HIS 8 21.086 -8.117 5.906 63 H SER 9 H SER 9 17.405 -2.481 4.492 64 HA SER 9 HA SER 9 16.531 -1.040 2.114 65 HB2 SER 9 HB2 SER 9 16.627 -0.201 5.046 66 HB3 SER 9 HB3 SER 9 15.850 0.700 3.738 67 HG SER 9 HG SER 9 14.484 -0.716 5.049 68 H HIS 10 H HIS 10 17.352 1.093 1.598 69 HA HIS 10 HA HIS 10 20.205 1.457 1.818 70 HB2 HIS 10 HB2 HIS 10 17.977 3.138 0.604 71 HB3 HIS 10 HB3 HIS 10 19.641 3.708 0.660 72 HD1 HIS 10 HD1 HIS 10 17.367 1.557 -1.273 73 HD2 HIS 10 HD2 HIS 10 21.465 2.136 -0.923 74 HE1 HIS 10 HE1 HIS 10 18.380 0.478 -3.295 75 HE2 HIS 10 HE2 HIS 10 20.818 1.075 -3.179 76 H MET 11 H MET 11 20.385 1.467 4.110 77 HA MET 11 HA MET 11 20.300 4.116 5.297 78 HB2 MET 11 HB2 MET 11 19.213 3.298 7.419 79 HB3 MET 11 HB3 MET 11 18.123 3.335 6.043 80 HG2 MET 11 HG2 MET 11 18.331 0.894 5.803 81 HG3 MET 11 HG3 MET 11 19.452 0.856 7.170 82 HE1 MET 11 HE1 MET 11 18.036 -0.909 8.502 83 HE2 MET 11 HE2 MET 11 16.863 -1.015 7.187 84 HE3 MET 11 HE3 MET 11 16.314 -0.741 8.841 85 H GLY 12 H GLY 12 22.502 3.617 4.678 86 HA2 GLY 12 HA2 GLY 12 23.977 2.055 6.729 87 HA3 GLY 12 HA3 GLY 12 24.323 1.873 5.014 88 H ASP 13 H ASP 13 25.448 3.238 7.687 89 HA ASP 13 HA ASP 13 27.154 5.116 6.251 90 HB2 ASP 13 HB2 ASP 13 25.315 6.597 6.986 91 HB3 ASP 13 HB3 ASP 13 25.432 5.987 8.637 92 H GLY 14 H GLY 14 29.166 4.527 6.855 93 HA2 GLY 14 HA2 GLY 14 29.675 2.919 9.215 94 HA3 GLY 14 HA3 GLY 14 30.842 3.446 8.009 95 H GLU 15 H GLU 15 28.843 4.731 10.682 96 HA GLU 15 HA GLU 15 30.438 7.090 11.068 97 HB2 GLU 15 HB2 GLU 15 28.001 6.997 11.611 98 HB3 GLU 15 HB3 GLU 15 28.339 5.850 12.902 99 HG2 GLU 15 HG2 GLU 15 29.705 7.559 14.064 100 HG3 GLU 15 HG3 GLU 15 29.359 8.707 12.773 101 H GLY 16 H GLY 16 31.933 7.506 12.657 102 HA2 GLY 16 HA2 GLY 16 32.640 6.529 14.989 103 HA3 GLY 16 HA3 GLY 16 33.246 5.230 13.961 104 H ALA 17 H ALA 17 35.386 5.584 14.379 105 HA ALA 17 HA ALA 17 36.780 7.430 12.739 106 HB1 ALA 17 HB1 ALA 17 36.970 7.940 15.729 107 HB2 ALA 17 HB2 ALA 17 36.246 9.026 14.546 108 HB3 ALA 17 HB3 ALA 17 37.982 8.702 14.499 109 H GLY 18 H GLY 18 38.966 6.853 12.565 110 HA2 GLY 18 HA2 GLY 18 39.810 4.347 13.939 111 HA3 GLY 18 HA3 GLY 18 40.155 4.709 12.251 112 H VAL 19 H VAL 19 42.227 4.047 13.808 113 HA VAL 19 HA VAL 19 43.669 6.397 14.735 114 HB VAL 19 HB VAL 19 45.621 4.838 14.966 115 HG11 VAL 19 HG11 VAL 19 44.059 5.072 16.854 116 HG12 VAL 19 HG12 VAL 19 44.695 3.430 16.785 117 HG13 VAL 19 HG13 VAL 19 43.058 3.764 16.218 118 HG21 VAL 19 HG21 VAL 19 45.165 3.320 13.065 119 HG22 VAL 19 HG22 VAL 19 43.737 2.687 13.884 120 HG23 VAL 19 HG23 VAL 19 45.341 2.398 14.559 121 H LEU 20 H LEU 20 46.120 6.354 13.734 122 HA LEU 20 HA LEU 20 45.918 7.396 11.089 123 HB2 LEU 20 HB2 LEU 20 48.452 6.584 12.589 124 HB3 LEU 20 HB3 LEU 20 48.380 7.561 11.134 125 HG LEU 20 HG LEU 20 46.926 9.202 12.619 126 HD11 LEU 20 HD11 LEU 20 47.549 9.269 14.990 127 HD12 LEU 20 HD12 LEU 20 48.413 7.740 14.807 128 HD13 LEU 20 HD13 LEU 20 46.667 7.801 14.571 129 HD21 LEU 20 HD21 LEU 20 49.089 9.807 11.653 130 HD22 LEU 20 HD22 LEU 20 49.933 9.010 12.982 131 HD23 LEU 20 HD23 LEU 20 48.943 10.438 13.292 132 H GLY 21 H GLY 21 45.535 6.117 9.376 133 HA2 GLY 21 HA2 GLY 21 45.967 3.277 9.344 134 HA3 GLY 21 HA3 GLY 21 45.370 4.272 8.026 135 H LEU 22 H LEU 22 48.326 3.429 9.779 136 HA LEU 22 HA LEU 22 50.187 4.171 7.767 137 HB2 LEU 22 HB2 LEU 22 50.730 3.846 10.188 138 HB3 LEU 22 HB3 LEU 22 50.408 2.130 10.021 139 HG LEU 22 HG LEU 22 52.329 1.936 8.447 140 HD11 LEU 22 HD11 LEU 22 52.419 4.203 7.543 141 HD12 LEU 22 HD12 LEU 22 53.977 3.770 8.239 142 HD13 LEU 22 HD13 LEU 22 52.888 4.847 9.118 143 HD21 LEU 22 HD21 LEU 22 53.050 3.114 11.156 144 HD22 LEU 22 HD22 LEU 22 54.118 2.144 10.139 145 HD23 LEU 22 HD23 LEU 22 52.663 1.424 10.819 146 H SER 23 H SER 23 48.716 1.079 8.736 147 HA SER 23 HA SER 23 49.462 -0.257 6.248 148 HB2 SER 23 HB2 SER 23 48.332 -2.244 7.314 149 HB3 SER 23 HB3 SER 23 49.631 -1.577 8.294 150 HG SER 23 HG SER 23 46.842 -1.355 8.681 151 H ALA 24 H ALA 24 48.274 1.207 4.856 152 HA ALA 24 HA ALA 24 45.406 1.338 4.838 153 HB1 ALA 24 HB1 ALA 24 47.373 1.876 2.589 154 HB2 ALA 24 HB2 ALA 24 46.782 3.061 3.755 155 HB3 ALA 24 HB3 ALA 24 45.665 2.331 2.601 156 H SER 25 H SER 25 47.742 -0.971 3.721 157 HA SER 25 HA SER 25 46.172 -2.464 1.890 158 HB2 SER 25 HB2 SER 25 47.850 -4.310 2.454 159 HB3 SER 25 HB3 SER 25 48.576 -2.787 1.950 160 HG SER 25 HG SER 25 48.345 -3.821 4.579 161 H ALA 26 H ALA 26 44.135 -2.913 2.592 162 HA ALA 26 HA ALA 26 43.768 -4.774 4.849 163 HB1 ALA 26 HB1 ALA 26 42.142 -2.236 4.483 164 HB2 ALA 26 HB2 ALA 26 43.284 -2.562 5.787 165 HB3 ALA 26 HB3 ALA 26 41.803 -3.519 5.651 166 H GLU 27 H GLU 27 41.358 -5.465 4.864 167 HA GLU 27 HA GLU 27 40.396 -5.968 2.112 168 HB2 GLU 27 HB2 GLU 27 40.375 -7.850 4.504 169 HB3 GLU 27 HB3 GLU 27 39.584 -8.170 2.974 170 HG2 GLU 27 HG2 GLU 27 41.780 -8.106 1.811 171 HG3 GLU 27 HG3 GLU 27 42.572 -7.807 3.356 172 H CYS 28 H CYS 28 38.977 -6.682 5.327 173 HA CYS 28 HA CYS 28 36.945 -4.614 5.026 174 HB2 CYS 28 HB2 CYS 28 36.220 -7.571 5.147 175 HB3 CYS 28 HB3 CYS 28 35.067 -6.252 5.345 176 HG CYS 28 HG CYS 28 34.731 -7.338 2.792 177 H HIS 29 H HIS 29 37.367 -7.599 6.928 178 HA HIS 29 HA HIS 29 36.661 -6.220 9.392 179 HB2 HIS 29 HB2 HIS 29 37.426 -9.147 8.949 180 HB3 HIS 29 HB3 HIS 29 36.799 -8.461 10.449 181 HD1 HIS 29 HD1 HIS 29 34.253 -8.126 10.619 182 HD2 HIS 29 HD2 HIS 29 35.484 -9.345 6.840 183 HE1 HIS 29 HE1 HIS 29 32.154 -8.748 9.384 184 HE2 HIS 29 HE2 HIS 29 32.946 -9.606 7.161 185 H LEU 30 H LEU 30 38.152 -5.142 10.469 186 HA LEU 30 HA LEU 30 40.943 -6.148 10.599 187 HB2 LEU 30 HB2 LEU 30 40.039 -3.269 10.995 188 HB3 LEU 30 HB3 LEU 30 41.690 -3.855 10.903 189 HG LEU 30 HG LEU 30 39.698 -3.702 8.605 190 HD11 LEU 30 HD11 LEU 30 41.214 -2.022 7.653 191 HD12 LEU 30 HD12 LEU 30 42.245 -2.131 9.078 192 HD13 LEU 30 HD13 LEU 30 40.599 -1.514 9.225 193 HD21 LEU 30 HD21 LEU 30 41.105 -5.700 8.305 194 HD22 LEU 30 HD22 LEU 30 42.560 -4.721 8.498 195 HD23 LEU 30 HD23 LEU 30 41.499 -4.463 7.114 196 H CYS 31 H CYS 31 41.546 -6.812 12.563 197 HA CYS 31 HA CYS 31 40.032 -6.818 14.919 198 HB2 CYS 31 HB2 CYS 31 41.895 -8.348 14.649 199 HB3 CYS 31 HB3 CYS 31 43.026 -7.034 14.391 200 HA PRO 32 HA PRO 32 40.032 -2.232 15.530 201 HB2 PRO 32 HB2 PRO 32 39.135 -3.212 18.253 202 HB3 PRO 32 HB3 PRO 32 38.527 -1.849 17.300 203 HG2 PRO 32 HG2 PRO 32 37.164 -4.119 17.291 204 HG3 PRO 32 HG3 PRO 32 37.420 -3.262 15.752 205 HD2 PRO 32 HD2 PRO 32 38.783 -5.728 16.801 206 HD3 PRO 32 HD3 PRO 32 38.318 -5.326 15.138 207 H VAL 33 H VAL 33 41.747 -4.456 17.682 208 HA VAL 33 HA VAL 33 43.180 -2.353 19.095 209 HB VAL 33 HB VAL 33 43.727 -5.345 19.297 210 HG11 VAL 33 HG11 VAL 33 44.481 -4.778 21.586 211 HG12 VAL 33 HG12 VAL 33 44.125 -3.075 21.284 212 HG13 VAL 33 HG13 VAL 33 45.391 -3.888 20.362 213 HG21 VAL 33 HG21 VAL 33 42.080 -5.468 21.144 214 HG22 VAL 33 HG22 VAL 33 41.296 -5.017 19.629 215 HG23 VAL 33 HG23 VAL 33 41.614 -3.787 20.852 216 H CYS 34 H CYS 34 43.742 -4.354 16.278 217 HA CYS 34 HA CYS 34 46.151 -2.847 15.659 218 HB2 CYS 34 HB2 CYS 34 47.595 -4.735 15.178 219 HB3 CYS 34 HB3 CYS 34 47.006 -4.938 16.822 220 H GLY 35 H GLY 35 45.780 -2.087 13.601 221 HA2 GLY 35 HA2 GLY 35 43.765 -2.990 11.860 222 HA3 GLY 35 HA3 GLY 35 45.143 -1.996 11.389 223 H GLU 36 H GLU 36 43.639 -4.936 10.909 224 HA GLU 36 HA GLU 36 45.942 -6.291 9.738 225 HB2 GLU 36 HB2 GLU 36 45.997 -6.738 12.241 226 HB3 GLU 36 HB3 GLU 36 44.455 -7.567 12.080 227 HG2 GLU 36 HG2 GLU 36 45.446 -9.284 10.687 228 HG3 GLU 36 HG3 GLU 36 46.961 -8.388 10.570 229 H SER 37 H SER 37 45.262 -7.306 7.990 230 HA SER 37 HA SER 37 42.588 -7.016 7.125 231 HB2 SER 37 HB2 SER 37 44.840 -8.603 5.830 232 HB3 SER 37 HB3 SER 37 43.363 -8.035 5.040 233 HG SER 37 HG SER 37 44.812 -6.097 6.344 234 H PHE 38 H PHE 38 40.900 -8.314 7.551 235 HA PHE 38 HA PHE 38 41.205 -11.241 7.344 236 HB2 PHE 38 HB2 PHE 38 39.418 -9.854 9.406 237 HB3 PHE 38 HB3 PHE 38 39.510 -11.592 9.131 238 HD1 PHE 38 HD1 PHE 38 41.914 -12.672 9.441 239 HD2 PHE 38 HD2 PHE 38 40.748 -8.908 11.116 240 HE1 PHE 38 HE1 PHE 38 43.676 -12.877 11.141 241 HE2 PHE 38 HE2 PHE 38 42.508 -9.128 12.812 242 HZ PHE 38 HZ PHE 38 43.969 -11.108 12.831 243 H ALA 39 H ALA 39 39.713 -12.146 6.029 244 HA ALA 39 HA ALA 39 37.682 -10.524 4.713 245 HB1 ALA 39 HB1 ALA 39 37.322 -12.542 3.332 246 HB2 ALA 39 HB2 ALA 39 38.427 -13.450 4.366 247 HB3 ALA 39 HB3 ALA 39 39.032 -12.109 3.394 248 H SER 40 H SER 40 37.908 -12.946 7.229 249 HA SER 40 HA SER 40 35.004 -13.411 7.319 250 HB2 SER 40 HB2 SER 40 37.264 -14.858 8.754 251 HB3 SER 40 HB3 SER 40 35.570 -15.354 8.725 252 HG SER 40 HG SER 40 35.934 -15.297 6.313 253 H LYS 41 H LYS 41 33.840 -13.259 9.267 254 HA LYS 41 HA LYS 41 34.410 -10.999 10.920 255 HB2 LYS 41 HB2 LYS 41 32.108 -11.566 10.345 256 HB3 LYS 41 HB3 LYS 41 32.260 -13.156 11.085 257 HG2 LYS 41 HG2 LYS 41 32.448 -12.122 13.314 258 HG3 LYS 41 HG3 LYS 41 32.343 -10.515 12.593 259 HD2 LYS 41 HD2 LYS 41 30.052 -10.947 11.848 260 HD3 LYS 41 HD3 LYS 41 30.153 -12.623 12.389 261 HE2 LYS 41 HE2 LYS 41 30.366 -10.242 14.259 262 HE3 LYS 41 HE3 LYS 41 28.855 -11.092 13.925 263 HZ1 LYS 41 HZ1 LYS 41 29.759 -13.080 14.851 264 HZ2 LYS 41 HZ2 LYS 41 30.000 -11.831 15.964 265 HZ3 LYS 41 HZ3 LYS 41 31.288 -12.386 15.029 266 H GLY 42 H GLY 42 34.220 -14.494 11.591 267 HA2 GLY 42 HA2 GLY 42 35.039 -14.452 14.292 268 HA3 GLY 42 HA3 GLY 42 35.059 -15.847 13.229 269 H ALA 43 H ALA 43 36.883 -14.300 11.335 270 HA ALA 43 HA ALA 43 39.437 -15.059 12.397 271 HB1 ALA 43 HB1 ALA 43 38.789 -13.382 9.945 272 HB2 ALA 43 HB2 ALA 43 38.957 -15.139 9.982 273 HB3 ALA 43 HB3 ALA 43 40.352 -14.114 10.319 274 H GLN 44 H GLN 44 37.724 -11.977 12.013 275 HA GLN 44 HA GLN 44 39.701 -10.262 13.122 276 HB2 GLN 44 HB2 GLN 44 37.870 -9.295 11.906 277 HB3 GLN 44 HB3 GLN 44 36.674 -10.107 12.906 278 HG2 GLN 44 HG2 GLN 44 37.363 -8.663 14.835 279 HG3 GLN 44 HG3 GLN 44 38.465 -7.813 13.758 280 HE21 GLN 44 HE21 GLN 44 37.623 -6.348 12.269 281 HE22 GLN 44 HE22 GLN 44 35.986 -5.816 12.314 282 H GLU 45 H GLU 45 36.991 -12.047 14.526 283 HA GLU 45 HA GLU 45 37.201 -11.018 17.157 284 HB2 GLU 45 HB2 GLU 45 35.790 -13.498 16.121 285 HB3 GLU 45 HB3 GLU 45 35.585 -12.827 17.740 286 HG2 GLU 45 HG2 GLU 45 34.651 -10.749 16.796 287 HG3 GLU 45 HG3 GLU 45 34.922 -11.353 15.163 288 H ARG 46 H ARG 46 38.756 -13.780 15.564 289 HA ARG 46 HA ARG 46 39.450 -15.175 17.973 290 HB2 ARG 46 HB2 ARG 46 40.896 -16.595 16.655 291 HB3 ARG 46 HB3 ARG 46 39.427 -16.304 15.733 292 HG2 ARG 46 HG2 ARG 46 40.608 -14.666 14.339 293 HG3 ARG 46 HG3 ARG 46 42.078 -14.908 15.280 294 HD2 ARG 46 HD2 ARG 46 40.694 -17.049 13.626 295 HD3 ARG 46 HD3 ARG 46 42.120 -16.131 13.135 296 HE ARG 46 HE ARG 46 43.322 -17.155 15.011 297 HH11 ARG 46 HH11 ARG 46 40.371 -18.770 14.039 298 HH12 ARG 46 HH12 ARG 46 40.906 -20.323 14.590 299 HH21 ARG 46 HH21 ARG 46 43.995 -19.201 15.728 300 HH22 ARG 46 HH22 ARG 46 42.948 -20.570 15.544 301 H HIS 47 H HIS 47 41.010 -12.590 16.101 302 HA HIS 47 HA HIS 47 43.454 -12.636 17.587 303 HB2 HIS 47 HB2 HIS 47 42.663 -11.204 15.312 304 HB3 HIS 47 HB3 HIS 47 42.739 -9.934 16.524 305 HD2 HIS 47 HD2 HIS 47 45.065 -12.706 15.023 306 HE1 HIS 47 HE1 HIS 47 47.541 -9.744 16.709 307 HE2 HIS 47 HE2 HIS 47 47.462 -11.807 15.272 308 H LEU 48 H LEU 48 40.374 -11.020 17.952 309 HA LEU 48 HA LEU 48 41.080 -9.258 20.086 310 HB2 LEU 48 HB2 LEU 48 38.370 -10.311 19.180 311 HB3 LEU 48 HB3 LEU 48 38.605 -8.971 20.293 312 HG LEU 48 HG LEU 48 39.469 -8.995 17.375 313 HD11 LEU 48 HD11 LEU 48 37.678 -7.354 17.006 314 HD12 LEU 48 HD12 LEU 48 37.165 -7.526 18.684 315 HD13 LEU 48 HD13 LEU 48 37.030 -8.894 17.577 316 HD21 LEU 48 HD21 LEU 48 40.972 -7.626 18.811 317 HD22 LEU 48 HD22 LEU 48 39.577 -6.704 19.371 318 HD23 LEU 48 HD23 LEU 48 40.052 -6.642 17.678 319 H ARG 49 H ARG 49 39.775 -12.536 19.961 320 HA ARG 49 HA ARG 49 38.985 -12.558 22.752 321 HB2 ARG 49 HB2 ARG 49 37.950 -13.766 20.586 322 HB3 ARG 49 HB3 ARG 49 39.051 -15.047 21.039 323 HG2 ARG 49 HG2 ARG 49 37.317 -14.065 23.256 324 HG3 ARG 49 HG3 ARG 49 36.447 -14.791 21.914 325 HD2 ARG 49 HD2 ARG 49 36.803 -16.510 23.511 326 HD3 ARG 49 HD3 ARG 49 37.923 -16.825 22.183 327 HE ARG 49 HE ARG 49 39.368 -15.358 23.996 328 HH11 ARG 49 HH11 ARG 49 37.623 -18.391 24.146 329 HH12 ARG 49 HH12 ARG 49 38.642 -19.051 25.382 330 HH21 ARG 49 HH21 ARG 49 40.704 -16.251 25.616 331 HH22 ARG 49 HH22 ARG 49 40.385 -17.849 26.211 332 H LEU 50 H LEU 50 41.600 -13.846 20.766 333 HA LEU 50 HA LEU 50 42.727 -15.417 22.994 334 HB2 LEU 50 HB2 LEU 50 43.523 -15.393 20.055 335 HB3 LEU 50 HB3 LEU 50 44.074 -16.530 21.274 336 HG LEU 50 HG LEU 50 41.196 -16.305 20.317 337 HD11 LEU 50 HD11 LEU 50 41.576 -18.411 19.094 338 HD12 LEU 50 HD12 LEU 50 43.280 -18.364 19.544 339 HD13 LEU 50 HD13 LEU 50 42.611 -17.113 18.494 340 HD21 LEU 50 HD21 LEU 50 42.481 -18.398 22.113 341 HD22 LEU 50 HD22 LEU 50 40.823 -18.440 21.512 342 HD23 LEU 50 HD23 LEU 50 41.322 -17.165 22.620 343 H LEU 51 H LEU 51 43.856 -13.117 20.478 344 HA LEU 51 HA LEU 51 46.491 -12.972 21.800 345 HB2 LEU 51 HB2 LEU 51 45.667 -12.227 18.964 346 HB3 LEU 51 HB3 LEU 51 47.306 -12.131 19.598 347 HG LEU 51 HG LEU 51 45.701 -14.701 19.271 348 HD11 LEU 51 HD11 LEU 51 48.052 -13.688 17.646 349 HD12 LEU 51 HD12 LEU 51 46.380 -13.826 17.096 350 HD13 LEU 51 HD13 LEU 51 47.298 -15.276 17.491 351 HD21 LEU 51 HD21 LEU 51 47.802 -15.872 19.867 352 HD22 LEU 51 HD22 LEU 51 47.220 -14.878 21.197 353 HD23 LEU 51 HD23 LEU 51 48.576 -14.323 20.212 354 H HIS 52 H HIS 52 43.716 -11.083 21.632 355 HA HIS 52 HA HIS 52 45.116 -8.663 22.454 356 HB2 HIS 52 HB2 HIS 52 43.881 -8.936 19.749 357 HB3 HIS 52 HB3 HIS 52 43.325 -7.501 20.614 358 HD2 HIS 52 HD2 HIS 52 46.467 -7.281 22.026 359 HE1 HIS 52 HE1 HIS 52 47.275 -5.887 18.156 360 HE2 HIS 52 HE2 HIS 52 47.996 -5.836 20.551 361 H ALA 53 H ALA 53 43.520 -10.508 23.813 362 HA ALA 53 HA ALA 53 40.986 -9.303 24.465 363 HB1 ALA 53 HB1 ALA 53 42.600 -11.405 25.958 364 HB2 ALA 53 HB2 ALA 53 41.335 -11.726 24.772 365 HB3 ALA 53 HB3 ALA 53 40.927 -10.951 26.303 366 H ALA 54 H ALA 54 41.558 -7.144 24.896 367 HA ALA 54 HA ALA 54 42.541 -6.510 27.560 368 HB1 ALA 54 HB1 ALA 54 44.342 -4.993 26.790 369 HB2 ALA 54 HB2 ALA 54 44.053 -5.476 25.119 370 HB3 ALA 54 HB3 ALA 54 44.667 -6.651 26.282 371 H GLN 55 H GLN 55 41.919 -5.038 24.361 372 HA GLN 55 HA GLN 55 40.497 -2.766 25.553 373 HB2 GLN 55 HB2 GLN 55 41.156 -3.363 22.635 374 HB3 GLN 55 HB3 GLN 55 40.491 -1.849 23.248 375 HG2 GLN 55 HG2 GLN 55 43.222 -2.989 23.895 376 HG3 GLN 55 HG3 GLN 55 42.892 -1.650 22.799 377 HE21 GLN 55 HE21 GLN 55 44.525 -1.797 25.276 378 HE22 GLN 55 HE22 GLN 55 43.924 -0.547 26.305 379 H VAL 56 H VAL 56 39.674 -5.838 24.759 380 HA VAL 56 HA VAL 56 36.978 -5.170 23.739 381 HB VAL 56 HB VAL 56 36.842 -7.476 22.909 382 HG11 VAL 56 HG11 VAL 56 37.774 -5.772 21.402 383 HG12 VAL 56 HG12 VAL 56 38.518 -7.341 21.092 384 HG13 VAL 56 HG13 VAL 56 39.401 -6.111 21.999 385 HG21 VAL 56 HG21 VAL 56 38.227 -8.642 24.594 386 HG22 VAL 56 HG22 VAL 56 39.678 -7.869 23.955 387 HG23 VAL 56 HG23 VAL 56 38.786 -9.022 22.962 388 H PHE 57 H PHE 57 35.199 -6.149 24.729 389 HA PHE 57 HA PHE 57 35.536 -7.179 27.471 390 HB2 PHE 57 HB2 PHE 57 33.693 -4.880 26.650 391 HB3 PHE 57 HB3 PHE 57 33.827 -5.571 28.264 392 HD1 PHE 57 HD2 PHE 57 35.943 -5.232 29.592 393 HD2 PHE 57 HD1 PHE 57 35.269 -3.209 25.882 394 HE1 PHE 57 HE2 PHE 57 37.724 -3.631 30.133 395 HE2 PHE 57 HE1 PHE 57 37.059 -1.618 26.428 396 HZ PHE 57 HZ PHE 57 38.288 -1.823 28.555 397 HA PRO 58 HA PRO 58 32.212 -9.637 25.275 398 HB2 PRO 58 HB2 PRO 58 33.144 -12.134 25.807 399 HB3 PRO 58 HB3 PRO 58 33.778 -11.162 24.472 400 HG2 PRO 58 HG2 PRO 58 34.963 -11.626 27.199 401 HG3 PRO 58 HG3 PRO 58 35.773 -11.578 25.618 402 HD2 PRO 58 HD2 PRO 58 35.725 -9.453 27.401 403 HD3 PRO 58 HD3 PRO 58 35.951 -9.276 25.650 404 H CYS 59 H CYS 59 30.416 -9.455 26.496 405 HA CYS 59 HA CYS 59 30.171 -9.700 29.291 406 HB2 CYS 59 HB2 CYS 59 28.374 -8.599 28.249 407 HB3 CYS 59 HB3 CYS 59 28.215 -9.822 27.003 408 H LYS 60 H LYS 60 30.454 -11.397 30.507 409 HA LYS 60 HA LYS 60 31.868 -13.486 29.839 410 HB2 LYS 60 HB2 LYS 60 31.244 -14.548 32.043 411 HB3 LYS 60 HB3 LYS 60 31.649 -12.841 32.122 412 HG2 LYS 60 HG2 LYS 60 29.186 -12.309 32.101 413 HG3 LYS 60 HG3 LYS 60 28.866 -14.037 32.214 414 HD2 LYS 60 HD2 LYS 60 28.681 -13.043 34.422 415 HD3 LYS 60 HD3 LYS 60 30.093 -14.099 34.384 416 HE2 LYS 60 HE2 LYS 60 31.569 -12.169 34.150 417 HE3 LYS 60 HE3 LYS 60 30.183 -11.084 34.057 418 HZ1 LYS 60 HZ1 LYS 60 29.622 -11.625 36.309 419 HZ2 LYS 60 HZ2 LYS 60 31.233 -11.115 36.242 420 HZ3 LYS 60 HZ3 LYS 60 30.874 -12.760 36.398 421 H TYR 61 H TYR 61 28.291 -13.905 29.930 422 HA TYR 61 HA TYR 61 28.544 -16.790 29.576 423 HB2 TYR 61 HB2 TYR 61 26.041 -15.075 29.719 424 HB3 TYR 61 HB3 TYR 61 26.086 -16.834 29.772 425 HD1 TYR 61 HD1 TYR 61 27.755 -17.771 31.735 426 HD2 TYR 61 HD2 TYR 61 25.740 -14.003 31.780 427 HE1 TYR 61 HE1 TYR 61 27.855 -17.732 34.181 428 HE2 TYR 61 HE2 TYR 61 25.853 -13.967 34.217 429 HH TYR 61 HH TYR 61 26.032 -15.554 36.041 430 H CYS 62 H CYS 62 28.502 -14.216 27.413 431 HA CYS 62 HA CYS 62 27.622 -15.945 25.181 432 HB2 CYS 62 HB2 CYS 62 26.473 -14.017 24.115 433 HB3 CYS 62 HB3 CYS 62 25.740 -14.413 25.655 434 HA PRO 63 HA PRO 63 31.385 -14.284 23.231 435 HB2 PRO 63 HB2 PRO 63 30.907 -14.812 20.599 436 HB3 PRO 63 HB3 PRO 63 31.185 -16.108 21.769 437 HG2 PRO 63 HG2 PRO 63 28.554 -15.047 20.734 438 HG3 PRO 63 HG3 PRO 63 29.101 -16.735 20.856 439 HD2 PRO 63 HD2 PRO 63 27.491 -15.601 22.734 440 HD3 PRO 63 HD3 PRO 63 28.701 -16.829 23.160 441 H ALA 64 H ALA 64 28.492 -12.680 23.199 442 HA ALA 64 HA ALA 64 28.782 -10.598 21.343 443 HB1 ALA 64 HB1 ALA 64 26.698 -10.982 22.622 444 HB2 ALA 64 HB2 ALA 64 27.250 -9.316 22.787 445 HB3 ALA 64 HB3 ALA 64 27.503 -10.463 24.104 446 H THR 65 H THR 65 30.854 -9.871 21.190 447 HA THR 65 HA THR 65 32.332 -8.995 23.545 448 HB THR 65 HB THR 65 33.229 -9.110 20.626 449 HG1 THR 65 HG1 THR 65 32.733 -11.166 21.594 450 HG21 THR 65 HG21 THR 65 34.810 -8.800 23.207 451 HG22 THR 65 HG22 THR 65 34.577 -7.542 21.985 452 HG23 THR 65 HG23 THR 65 35.500 -8.995 21.596 453 H PHE 66 H PHE 66 31.959 -7.029 24.222 454 HA PHE 66 HA PHE 66 31.188 -4.819 22.472 455 HB2 PHE 66 HB2 PHE 66 31.524 -4.960 25.510 456 HB3 PHE 66 HB3 PHE 66 30.922 -3.559 24.614 457 HD1 PHE 66 HD1 PHE 66 30.103 -6.986 25.773 458 HD2 PHE 66 HD2 PHE 66 28.663 -3.566 23.625 459 HE1 PHE 66 HE1 PHE 66 27.820 -7.894 25.835 460 HE2 PHE 66 HE2 PHE 66 26.379 -4.482 23.711 461 HZ PHE 66 HZ PHE 66 25.959 -6.646 24.811 462 H TYR 67 H TYR 67 32.355 -2.730 22.817 463 HA TYR 67 HA TYR 67 35.256 -3.029 23.381 464 HB2 TYR 67 HB2 TYR 67 33.964 -1.182 21.306 465 HB3 TYR 67 HB3 TYR 67 35.694 -1.397 21.578 466 HD1 TYR 67 HD2 TYR 67 36.718 -3.723 21.102 467 HD2 TYR 67 HD1 TYR 67 32.780 -2.667 19.799 468 HE1 TYR 67 HE2 TYR 67 36.721 -5.612 19.537 469 HE2 TYR 67 HE1 TYR 67 32.788 -4.569 18.250 470 HH TYR 67 HH TYR 67 35.068 -7.057 18.394 471 H SER 68 H SER 68 32.934 -2.335 25.058 472 HA SER 68 HA SER 68 33.979 0.104 26.281 473 HB2 SER 68 HB2 SER 68 31.667 1.032 26.581 474 HB3 SER 68 HB3 SER 68 32.094 0.908 24.877 475 HG SER 68 HG SER 68 30.862 -1.004 24.774 476 H SER 69 H SER 69 34.045 -0.093 28.454 477 HA SER 69 HA SER 69 33.467 -2.487 29.820 478 HB2 SER 69 HB2 SER 69 33.981 0.252 31.058 479 HB3 SER 69 HB3 SER 69 34.182 -1.316 31.841 480 HG SER 69 HG SER 69 36.080 -0.133 30.791 481 HA PRO 70 HA PRO 70 29.340 -0.038 31.402 482 HB2 PRO 70 HB2 PRO 70 28.347 1.420 29.169 483 HB3 PRO 70 HB3 PRO 70 28.990 2.106 30.665 484 HG2 PRO 70 HG2 PRO 70 30.392 1.629 28.049 485 HG3 PRO 70 HG3 PRO 70 30.528 3.015 29.156 486 HD2 PRO 70 HD2 PRO 70 32.447 1.174 29.103 487 HD3 PRO 70 HD3 PRO 70 31.897 1.815 30.662 488 H GLY 71 H GLY 71 29.814 -0.663 27.880 489 HA2 GLY 71 HA2 GLY 71 27.369 -1.939 27.336 490 HA3 GLY 71 HA3 GLY 71 28.836 -2.110 26.386 491 H LEU 72 H LEU 72 30.443 -3.266 28.372 492 HA LEU 72 HA LEU 72 30.054 -6.011 28.259 493 HB2 LEU 72 HB2 LEU 72 32.187 -4.971 28.820 494 HB3 LEU 72 HB3 LEU 72 31.496 -4.240 30.254 495 HG LEU 72 HG LEU 72 31.284 -6.496 31.295 496 HD11 LEU 72 HD11 LEU 72 32.733 -7.504 28.836 497 HD12 LEU 72 HD12 LEU 72 31.070 -7.870 29.301 498 HD13 LEU 72 HD13 LEU 72 32.405 -8.433 30.300 499 HD21 LEU 72 HD21 LEU 72 33.261 -5.134 31.769 500 HD22 LEU 72 HD22 LEU 72 34.091 -5.804 30.363 501 HD23 LEU 72 HD23 LEU 72 33.685 -6.846 31.731 502 H THR 73 H THR 73 29.473 -3.849 31.015 503 HA THR 73 HA THR 73 28.173 -5.790 32.668 504 HB THR 73 HB THR 73 28.251 -2.749 32.991 505 HG1 THR 73 HG1 THR 73 30.106 -4.728 33.894 506 HG21 THR 73 HG21 THR 73 27.963 -4.955 35.084 507 HG22 THR 73 HG22 THR 73 26.687 -3.851 34.579 508 HG23 THR 73 HG23 THR 73 28.097 -3.218 35.422 509 H ARG 74 H ARG 74 27.064 -3.565 30.210 510 HA ARG 74 HA ARG 74 24.383 -3.225 30.999 511 HB2 ARG 74 HB2 ARG 74 25.757 -2.970 28.324 512 HB3 ARG 74 HB3 ARG 74 24.002 -2.863 28.418 513 HG2 ARG 74 HG2 ARG 74 24.211 -0.949 29.976 514 HG3 ARG 74 HG3 ARG 74 25.969 -1.055 29.862 515 HD2 ARG 74 HD2 ARG 74 25.857 -0.529 27.457 516 HD3 ARG 74 HD3 ARG 74 24.091 -0.483 27.543 517 HE ARG 74 HE ARG 74 24.868 1.332 29.420 518 HH11 ARG 74 HH11 ARG 74 25.601 0.998 25.994 519 HH12 ARG 74 HH12 ARG 74 25.779 2.704 25.756 520 HH21 ARG 74 HH21 ARG 74 25.084 3.556 29.061 521 HH22 ARG 74 HH22 ARG 74 25.492 4.141 27.480 522 H HIS 75 H HIS 75 25.847 -5.671 28.754 523 HA HIS 75 HA HIS 75 23.309 -6.899 28.185 524 HB2 HIS 75 HB2 HIS 75 25.571 -7.135 26.840 525 HB3 HIS 75 HB3 HIS 75 25.892 -8.485 27.926 526 HD2 HIS 75 HD2 HIS 75 23.305 -7.394 25.203 527 HE1 HIS 75 HE1 HIS 75 22.785 -11.524 25.833 528 HE2 HIS 75 HE2 HIS 75 21.994 -9.507 24.545 529 H ILE 76 H ILE 76 25.560 -7.203 30.767 530 HA ILE 76 HA ILE 76 24.632 -9.629 31.921 531 HB ILE 76 HB ILE 76 26.197 -7.251 32.983 532 HG12 ILE 76 HG12 ILE 76 27.022 -10.136 32.377 533 HG13 ILE 76 HG13 ILE 76 27.397 -8.726 31.394 534 HG21 ILE 76 HG21 ILE 76 26.643 -8.534 35.060 535 HG22 ILE 76 HG22 ILE 76 25.458 -9.737 34.556 536 HG23 ILE 76 HG23 ILE 76 24.947 -8.082 34.892 537 HD11 ILE 76 HD11 ILE 76 28.397 -9.245 34.187 538 HD12 ILE 76 HD12 ILE 76 28.767 -7.827 33.202 539 HD13 ILE 76 HD13 ILE 76 29.312 -9.423 32.689 540 H ASN 77 H ASN 77 23.995 -6.188 32.767 541 HA ASN 77 HA ASN 77 22.001 -6.821 34.722 542 HB2 ASN 77 HB2 ASN 77 22.828 -4.194 33.426 543 HB3 ASN 77 HB3 ASN 77 21.591 -4.291 34.675 544 HD21 ASN 77 HD21 ASN 77 24.600 -6.205 34.686 545 HD22 ASN 77 HD22 ASN 77 25.271 -5.433 36.069 546 H LYS 78 H LYS 78 21.930 -6.567 31.335 547 HA LYS 78 HA LYS 78 19.094 -5.907 31.080 548 HB2 LYS 78 HB2 LYS 78 20.695 -4.932 29.468 549 HB3 LYS 78 HB3 LYS 78 21.256 -6.536 29.014 550 HG2 LYS 78 HG2 LYS 78 19.818 -5.686 27.274 551 HG3 LYS 78 HG3 LYS 78 19.003 -7.028 28.077 552 HD2 LYS 78 HD2 LYS 78 17.627 -5.431 29.368 553 HD3 LYS 78 HD3 LYS 78 18.465 -4.081 28.599 554 HE2 LYS 78 HE2 LYS 78 17.597 -4.812 26.394 555 HE3 LYS 78 HE3 LYS 78 16.740 -6.141 27.181 556 HZ1 LYS 78 HZ1 LYS 78 15.455 -4.541 28.421 557 HZ2 LYS 78 HZ2 LYS 78 15.299 -4.248 26.762 558 HZ3 LYS 78 HZ3 LYS 78 16.293 -3.260 27.709 559 H CYS 79 H CYS 79 21.300 -8.701 30.502 560 HA CYS 79 HA CYS 79 19.002 -10.491 30.100 561 HB2 CYS 79 HB2 CYS 79 19.398 -9.357 27.910 562 HB3 CYS 79 HB3 CYS 79 21.059 -9.950 27.911 563 HG CYS 79 HG CYS 79 18.295 -11.428 26.876 564 H HIS 80 H HIS 80 21.955 -10.180 31.562 565 HA HIS 80 HA HIS 80 22.354 -13.071 31.676 566 HB2 HIS 80 HB2 HIS 80 24.275 -11.253 30.262 567 HB3 HIS 80 HB3 HIS 80 25.015 -12.446 31.332 568 HD2 HIS 80 HD2 HIS 80 22.647 -14.760 30.551 569 HE1 HIS 80 HE1 HIS 80 24.601 -14.587 26.845 570 HE2 HIS 80 HE2 HIS 80 23.024 -15.896 28.277 571 HA PRO 81 HA PRO 81 23.137 -11.214 35.824 572 HB2 PRO 81 HB2 PRO 81 20.980 -12.071 37.137 573 HB3 PRO 81 HB3 PRO 81 20.793 -10.787 35.932 574 HG2 PRO 81 HG2 PRO 81 20.204 -13.732 35.668 575 HG3 PRO 81 HG3 PRO 81 19.223 -12.352 35.131 576 HD2 PRO 81 HD2 PRO 81 20.994 -13.801 33.499 577 HD3 PRO 81 HD3 PRO 81 20.390 -12.168 33.143 578 H SER 82 H SER 82 22.308 -13.008 37.992 579 HA SER 82 HA SER 82 22.814 -14.872 39.154 580 HB2 SER 82 HB2 SER 82 21.687 -16.114 37.349 581 HB3 SER 82 HB3 SER 82 23.167 -16.146 36.397 582 HG SER 82 HG SER 82 24.057 -17.559 37.831 583 H GLU 83 H GLU 83 24.848 -12.916 38.190 584 HA GLU 83 HA GLU 83 27.291 -14.454 38.877 585 HB2 GLU 83 HB2 GLU 83 28.480 -12.590 37.443 586 HB3 GLU 83 HB3 GLU 83 27.731 -13.956 36.636 587 HG2 GLU 83 HG2 GLU 83 27.316 -11.838 35.455 588 HG3 GLU 83 HG3 GLU 83 25.818 -12.604 35.974 589 H ASN 84 H ASN 84 29.073 -12.826 39.613 590 HA ASN 84 HA ASN 84 27.983 -11.282 41.842 591 HB2 ASN 84 HB2 ASN 84 29.966 -12.753 42.160 592 HB3 ASN 84 HB3 ASN 84 30.879 -11.803 40.996 593 HD21 ASN 84 HD21 ASN 84 29.613 -11.911 44.228 594 HD22 ASN 84 HD22 ASN 84 30.443 -10.514 44.820 595 H ARG 85 H ARG 85 30.330 -10.641 39.257 596 HA ARG 85 HA ARG 85 29.089 -8.232 38.368 597 HB2 ARG 85 HB2 ARG 85 30.331 -7.352 40.369 598 HB3 ARG 85 HB3 ARG 85 31.844 -7.936 39.674 599 HG2 ARG 85 HG2 ARG 85 31.458 -6.420 37.707 600 HG3 ARG 85 HG3 ARG 85 30.016 -5.801 38.510 601 HD2 ARG 85 HD2 ARG 85 31.418 -4.987 40.380 602 HD3 ARG 85 HD3 ARG 85 32.860 -5.586 39.551 603 HE ARG 85 HE ARG 85 31.254 -3.750 37.996 604 HH11 ARG 85 HH11 ARG 85 33.926 -3.961 40.264 605 HH12 ARG 85 HH12 ARG 85 34.576 -2.418 39.822 606 HH21 ARG 85 HH21 ARG 85 32.120 -1.713 37.453 607 HH22 ARG 85 HH22 ARG 85 33.549 -1.135 38.250 Start of MODEL 11 1 H1 MET 1 H1 MET 1 54.372 -25.400 74.960 2 H2 MET 1 H2 MET 1 52.989 -25.444 73.990 3 H3 MET 1 H3 MET 1 54.258 -24.400 73.604 4 HA MET 1 HA MET 1 55.712 -26.243 73.164 5 HB2 MET 1 HB2 MET 1 53.242 -27.890 73.865 6 HB3 MET 1 HB3 MET 1 54.647 -28.562 73.043 7 HG2 MET 1 HG2 MET 1 54.725 -29.100 75.399 8 HG3 MET 1 HG3 MET 1 56.048 -28.007 74.988 9 HE1 MET 1 HE1 MET 1 56.448 -27.510 77.582 10 HE2 MET 1 HE2 MET 1 55.127 -28.609 77.994 11 HE3 MET 1 HE3 MET 1 55.169 -26.986 78.680 12 H GLY 2 H GLY 2 55.605 -27.528 71.102 13 HA2 GLY 2 HA2 GLY 2 55.028 -27.832 68.898 14 HA3 GLY 2 HA3 GLY 2 53.425 -27.208 69.267 15 H HIS 3 H HIS 3 56.768 -25.931 69.213 16 HA HIS 3 HA HIS 3 56.017 -23.306 68.394 17 HB2 HIS 3 HB2 HIS 3 58.058 -23.805 69.746 18 HB3 HIS 3 HB3 HIS 3 58.754 -24.657 68.380 19 HD1 HIS 3 HD1 HIS 3 58.275 -21.261 69.794 20 HD2 HIS 3 HD2 HIS 3 59.667 -22.939 66.255 21 HE1 HIS 3 HE1 HIS 3 59.544 -19.439 68.632 22 HE2 HIS 3 HE2 HIS 3 60.523 -20.529 66.595 23 H HIS 4 H HIS 4 54.818 -23.502 66.493 24 HA HIS 4 HA HIS 4 56.085 -24.696 64.104 25 HB2 HIS 4 HB2 HIS 4 53.778 -24.762 63.144 26 HB3 HIS 4 HB3 HIS 4 53.940 -25.696 64.619 27 HD1 HIS 4 HD1 HIS 4 52.609 -24.864 66.698 28 HD2 HIS 4 HD2 HIS 4 51.952 -22.613 63.273 29 HE1 HIS 4 HE1 HIS 4 50.589 -23.461 67.190 30 HE2 HIS 4 HE2 HIS 4 50.166 -22.172 65.074 31 H HIS 5 H HIS 5 57.267 -23.182 63.126 32 HA HIS 5 HA HIS 5 55.978 -20.773 62.084 33 HB2 HIS 5 HB2 HIS 5 58.534 -20.725 63.748 34 HB3 HIS 5 HB3 HIS 5 58.119 -19.432 62.628 35 HD1 HIS 5 HD1 HIS 5 55.855 -18.110 63.172 36 HD2 HIS 5 HD2 HIS 5 57.308 -20.527 66.228 37 HE1 HIS 5 HE1 HIS 5 54.662 -17.372 65.247 38 HE2 HIS 5 HE2 HIS 5 55.431 -18.956 67.037 39 H HIS 6 H HIS 6 56.107 -21.169 60.001 40 HA HIS 6 HA HIS 6 58.711 -21.842 58.752 41 HB2 HIS 6 HB2 HIS 6 57.032 -23.725 58.591 42 HB3 HIS 6 HB3 HIS 6 55.932 -22.649 57.743 43 HD1 HIS 6 HD1 HIS 6 58.838 -24.880 57.239 44 HD2 HIS 6 HD2 HIS 6 56.818 -21.973 55.052 45 HE1 HIS 6 HE1 HIS 6 59.568 -25.190 54.859 46 HE2 HIS 6 HE2 HIS 6 58.286 -23.471 53.547 47 H HIS 7 H HIS 7 59.313 -19.757 58.301 48 HA HIS 7 HA HIS 7 57.440 -17.944 56.900 49 HB2 HIS 7 HB2 HIS 7 58.538 -17.134 59.037 50 HB3 HIS 7 HB3 HIS 7 60.096 -17.251 58.227 51 HD1 HIS 7 HD1 HIS 7 60.828 -14.930 57.716 52 HD2 HIS 7 HD2 HIS 7 56.757 -15.413 57.057 53 HE1 HIS 7 HE1 HIS 7 60.017 -12.717 56.864 54 HE2 HIS 7 HE2 HIS 7 57.541 -13.018 56.503 55 H HIS 8 H HIS 8 57.581 -18.416 54.781 56 HA HIS 8 HA HIS 8 60.215 -18.384 53.430 57 HB2 HIS 8 HB2 HIS 8 59.498 -20.739 53.622 58 HB3 HIS 8 HB3 HIS 8 57.934 -20.347 52.919 59 HD1 HIS 8 HD1 HIS 8 57.818 -20.117 50.349 60 HD2 HIS 8 HD2 HIS 8 61.641 -20.888 51.765 61 HE1 HIS 8 HE1 HIS 8 59.163 -20.773 48.336 62 HE2 HIS 8 HE2 HIS 8 61.427 -21.385 49.247 63 H SER 9 H SER 9 60.268 -16.984 51.777 64 HA SER 9 HA SER 9 57.901 -15.451 51.037 65 HB2 SER 9 HB2 SER 9 59.600 -14.042 49.811 66 HB3 SER 9 HB3 SER 9 59.979 -14.244 51.521 67 HG SER 9 HG SER 9 61.828 -14.968 50.857 68 H HIS 10 H HIS 10 58.189 -14.750 48.466 69 HA HIS 10 HA HIS 10 58.665 -17.087 46.766 70 HB2 HIS 10 HB2 HIS 10 56.498 -16.828 45.580 71 HB3 HIS 10 HB3 HIS 10 56.261 -17.251 47.267 72 HD1 HIS 10 HD1 HIS 10 55.538 -15.169 48.864 73 HD2 HIS 10 HD2 HIS 10 55.105 -14.594 44.780 74 HE1 HIS 10 HE1 HIS 10 53.925 -13.270 48.620 75 HE2 HIS 10 HE2 HIS 10 53.533 -13.078 46.144 76 H MET 11 H MET 11 59.221 -16.545 44.641 77 HA MET 11 HA MET 11 59.743 -13.675 44.093 78 HB2 MET 11 HB2 MET 11 61.817 -14.920 44.795 79 HB3 MET 11 HB3 MET 11 61.594 -16.018 43.441 80 HG2 MET 11 HG2 MET 11 61.893 -14.140 41.867 81 HG3 MET 11 HG3 MET 11 62.111 -13.037 43.228 82 HE1 MET 11 HE1 MET 11 64.212 -13.205 44.942 83 HE2 MET 11 HE2 MET 11 65.525 -14.369 44.752 84 HE3 MET 11 HE3 MET 11 63.920 -14.919 45.227 85 H GLY 12 H GLY 12 58.894 -13.014 42.218 86 HA2 GLY 12 HA2 GLY 12 58.601 -14.816 39.919 87 HA3 GLY 12 HA3 GLY 12 57.138 -14.083 40.573 88 H ASP 13 H ASP 13 58.411 -13.757 37.951 89 HA ASP 13 HA ASP 13 58.413 -10.843 37.773 90 HB2 ASP 13 HB2 ASP 13 60.557 -10.690 36.607 91 HB3 ASP 13 HB3 ASP 13 60.826 -11.494 38.147 92 H GLY 14 H GLY 14 58.952 -10.400 35.202 93 HA2 GLY 14 HA2 GLY 14 58.266 -12.292 33.268 94 HA3 GLY 14 HA3 GLY 14 56.785 -11.458 33.725 95 H GLU 15 H GLU 15 58.849 -11.486 31.358 96 HA GLU 15 HA GLU 15 59.274 -8.638 30.954 97 HB2 GLU 15 HB2 GLU 15 59.824 -11.022 29.141 98 HB3 GLU 15 HB3 GLU 15 60.282 -9.360 28.783 99 HG2 GLU 15 HG2 GLU 15 61.322 -11.046 31.077 100 HG3 GLU 15 HG3 GLU 15 62.190 -10.666 29.592 101 H GLY 16 H GLY 16 58.485 -7.582 28.994 102 HA2 GLY 16 HA2 GLY 16 55.893 -8.589 27.957 103 HA3 GLY 16 HA3 GLY 16 56.186 -6.891 28.330 104 H ALA 17 H ALA 17 55.314 -7.664 25.830 105 HA ALA 17 HA ALA 17 57.475 -6.698 24.124 106 HB1 ALA 17 HB1 ALA 17 57.777 -9.152 24.040 107 HB2 ALA 17 HB2 ALA 17 57.256 -8.517 22.477 108 HB3 ALA 17 HB3 ALA 17 56.101 -9.347 23.525 109 H GLY 18 H GLY 18 56.742 -5.616 22.310 110 HA2 GLY 18 HA2 GLY 18 54.016 -5.736 21.379 111 HA3 GLY 18 HA3 GLY 18 54.373 -4.267 22.286 112 H VAL 19 H VAL 19 54.354 -5.596 19.223 113 HA VAL 19 HA VAL 19 56.112 -3.456 18.144 114 HB VAL 19 HB VAL 19 56.443 -4.832 16.103 115 HG11 VAL 19 HG11 VAL 19 58.128 -4.983 17.876 116 HG12 VAL 19 HG12 VAL 19 57.975 -6.530 17.042 117 HG13 VAL 19 HG13 VAL 19 57.246 -6.312 18.635 118 HG21 VAL 19 HG21 VAL 19 55.778 -7.229 16.034 119 HG22 VAL 19 HG22 VAL 19 54.372 -6.170 16.126 120 HG23 VAL 19 HG23 VAL 19 54.917 -7.035 17.564 121 H LEU 20 H LEU 20 55.366 -2.491 16.127 122 HA LEU 20 HA LEU 20 52.539 -1.889 16.220 123 HB2 LEU 20 HB2 LEU 20 54.671 -0.936 14.257 124 HB3 LEU 20 HB3 LEU 20 53.063 -0.250 14.442 125 HG LEU 20 HG LEU 20 55.268 -0.177 16.543 126 HD11 LEU 20 HD11 LEU 20 55.765 1.314 14.677 127 HD12 LEU 20 HD12 LEU 20 55.356 2.242 16.117 128 HD13 LEU 20 HD13 LEU 20 54.173 2.062 14.821 129 HD21 LEU 20 HD21 LEU 20 53.787 1.314 17.837 130 HD22 LEU 20 HD22 LEU 20 53.061 -0.277 17.626 131 HD23 LEU 20 HD23 LEU 20 52.501 1.080 16.649 132 H GLY 21 H GLY 21 50.968 -2.557 14.830 133 HA2 GLY 21 HA2 GLY 21 51.505 -4.844 13.088 134 HA3 GLY 21 HA3 GLY 21 49.934 -4.251 13.610 135 H LEU 22 H LEU 22 52.513 -3.863 11.261 136 HA LEU 22 HA LEU 22 51.158 -1.800 9.734 137 HB2 LEU 22 HB2 LEU 22 53.594 -3.517 9.112 138 HB3 LEU 22 HB3 LEU 22 52.929 -2.361 7.974 139 HG LEU 22 HG LEU 22 53.383 -0.531 9.698 140 HD11 LEU 22 HD11 LEU 22 55.012 -2.677 11.095 141 HD12 LEU 22 HD12 LEU 22 53.559 -1.896 11.722 142 HD13 LEU 22 HD13 LEU 22 55.023 -0.949 11.472 143 HD21 LEU 22 HD21 LEU 22 55.786 -2.055 8.626 144 HD22 LEU 22 HD22 LEU 22 55.779 -0.366 9.146 145 HD23 LEU 22 HD23 LEU 22 54.827 -0.859 7.749 146 H SER 23 H SER 23 49.461 -2.205 8.437 147 HA SER 23 HA SER 23 49.249 -4.809 7.025 148 HB2 SER 23 HB2 SER 23 47.363 -4.345 8.629 149 HB3 SER 23 HB3 SER 23 46.962 -2.902 7.707 150 HG SER 23 HG SER 23 47.153 -5.180 6.179 151 H ALA 24 H ALA 24 50.434 -4.267 5.230 152 HA ALA 24 HA ALA 24 50.235 -1.891 3.706 153 HB1 ALA 24 HB1 ALA 24 51.064 -4.676 2.810 154 HB2 ALA 24 HB2 ALA 24 52.132 -3.450 3.496 155 HB3 ALA 24 HB3 ALA 24 51.372 -3.181 1.926 156 H SER 25 H SER 25 48.521 -4.980 3.593 157 HA SER 25 HA SER 25 46.820 -4.262 1.368 158 HB2 SER 25 HB2 SER 25 46.648 -6.626 3.286 159 HB3 SER 25 HB3 SER 25 45.758 -6.454 1.769 160 HG SER 25 HG SER 25 48.136 -6.118 0.988 161 H ALA 26 H ALA 26 45.946 -2.295 2.171 162 HA ALA 26 HA ALA 26 44.163 -2.275 4.472 163 HB1 ALA 26 HB1 ALA 26 44.637 -0.165 2.330 164 HB2 ALA 26 HB2 ALA 26 45.450 -0.256 3.892 165 HB3 ALA 26 HB3 ALA 26 43.718 0.064 3.824 166 H GLU 27 H GLU 27 42.641 -3.836 3.993 167 HA GLU 27 HA GLU 27 40.425 -3.106 2.304 168 HB2 GLU 27 HB2 GLU 27 41.858 -4.121 0.591 169 HB3 GLU 27 HB3 GLU 27 42.147 -5.528 1.603 170 HG2 GLU 27 HG2 GLU 27 39.671 -6.064 1.414 171 HG3 GLU 27 HG3 GLU 27 39.534 -4.739 0.258 172 H CYS 28 H CYS 28 38.577 -3.985 3.118 173 HA CYS 28 HA CYS 28 37.073 -5.270 4.194 174 HB2 CYS 28 HB2 CYS 28 39.330 -7.260 4.665 175 HB3 CYS 28 HB3 CYS 28 37.617 -7.577 4.935 176 HG CYS 28 HG CYS 28 39.388 -7.898 2.195 177 H HIS 29 H HIS 29 36.817 -6.437 6.570 178 HA HIS 29 HA HIS 29 37.300 -4.264 8.393 179 HB2 HIS 29 HB2 HIS 29 36.031 -6.993 8.876 180 HB3 HIS 29 HB3 HIS 29 36.108 -5.708 10.080 181 HD1 HIS 29 HD1 HIS 29 35.135 -3.278 8.830 182 HD2 HIS 29 HD2 HIS 29 33.533 -6.958 7.762 183 HE1 HIS 29 HE1 HIS 29 32.927 -2.769 7.765 184 HE2 HIS 29 HE2 HIS 29 32.085 -4.986 6.939 185 H LEU 30 H LEU 30 38.987 -3.976 9.635 186 HA LEU 30 HA LEU 30 41.057 -6.064 9.890 187 HB2 LEU 30 HB2 LEU 30 41.552 -3.143 10.531 188 HB3 LEU 30 HB3 LEU 30 42.675 -4.366 9.968 189 HG LEU 30 HG LEU 30 41.089 -4.188 7.750 190 HD11 LEU 30 HD11 LEU 30 40.487 -1.871 7.247 191 HD12 LEU 30 HD12 LEU 30 40.958 -1.383 8.877 192 HD13 LEU 30 HD13 LEU 30 39.602 -2.487 8.642 193 HD21 LEU 30 HD21 LEU 30 42.756 -2.799 6.680 194 HD22 LEU 30 HD22 LEU 30 43.532 -3.977 7.743 195 HD23 LEU 30 HD23 LEU 30 43.396 -2.290 8.252 196 H CYS 31 H CYS 31 41.915 -6.583 11.937 197 HA CYS 31 HA CYS 31 40.333 -6.468 14.244 198 HB2 CYS 31 HB2 CYS 31 42.116 -8.145 13.966 199 HB3 CYS 31 HB3 CYS 31 43.338 -6.879 14.001 200 HA PRO 32 HA PRO 32 40.754 -2.028 14.300 201 HB2 PRO 32 HB2 PRO 32 39.143 -1.384 16.459 202 HB3 PRO 32 HB3 PRO 32 38.535 -1.871 14.870 203 HG2 PRO 32 HG2 PRO 32 38.947 -3.558 17.340 204 HG3 PRO 32 HG3 PRO 32 37.538 -3.493 16.254 205 HD2 PRO 32 HD2 PRO 32 39.357 -5.465 16.055 206 HD3 PRO 32 HD3 PRO 32 38.611 -4.769 14.597 207 H VAL 33 H VAL 33 42.275 -3.804 16.770 208 HA VAL 33 HA VAL 33 43.399 -1.365 18.026 209 HB VAL 33 HB VAL 33 43.786 -4.249 18.947 210 HG11 VAL 33 HG11 VAL 33 45.501 -2.712 19.790 211 HG12 VAL 33 HG12 VAL 33 44.445 -3.225 21.105 212 HG13 VAL 33 HG13 VAL 33 44.257 -1.617 20.400 213 HG21 VAL 33 HG21 VAL 33 42.051 -3.838 20.654 214 HG22 VAL 33 HG22 VAL 33 41.388 -3.707 19.024 215 HG23 VAL 33 HG23 VAL 33 41.729 -2.248 19.954 216 H CYS 34 H CYS 34 44.312 -4.179 16.037 217 HA CYS 34 HA CYS 34 46.986 -2.965 15.582 218 HB2 CYS 34 HB2 CYS 34 48.016 -5.154 15.305 219 HB3 CYS 34 HB3 CYS 34 47.202 -5.134 16.860 220 H GLY 35 H GLY 35 47.426 -2.486 13.474 221 HA2 GLY 35 HA2 GLY 35 45.573 -2.751 11.367 222 HA3 GLY 35 HA3 GLY 35 47.292 -2.416 11.175 223 H GLU 36 H GLU 36 44.908 -4.585 10.434 224 HA GLU 36 HA GLU 36 46.442 -6.833 9.659 225 HB2 GLU 36 HB2 GLU 36 46.767 -6.942 12.159 226 HB3 GLU 36 HB3 GLU 36 45.027 -7.078 12.366 227 HG2 GLU 36 HG2 GLU 36 45.106 -9.249 11.111 228 HG3 GLU 36 HG3 GLU 36 46.869 -9.102 11.059 229 H SER 37 H SER 37 45.081 -6.872 7.900 230 HA SER 37 HA SER 37 42.249 -6.415 8.065 231 HB2 SER 37 HB2 SER 37 42.456 -6.840 5.516 232 HB3 SER 37 HB3 SER 37 43.334 -5.467 6.184 233 HG SER 37 HG SER 37 45.082 -6.332 5.462 234 H PHE 38 H PHE 38 40.562 -7.823 7.791 235 HA PHE 38 HA PHE 38 41.027 -10.678 7.210 236 HB2 PHE 38 HB2 PHE 38 39.344 -9.604 9.515 237 HB3 PHE 38 HB3 PHE 38 39.367 -11.289 8.999 238 HD1 PHE 38 HD2 PHE 38 41.654 -12.508 9.054 239 HD2 PHE 38 HD1 PHE 38 40.882 -8.867 11.161 240 HE1 PHE 38 HE2 PHE 38 43.519 -12.986 10.571 241 HE2 PHE 38 HE1 PHE 38 42.753 -9.355 12.670 242 HZ PHE 38 HZ PHE 38 44.065 -11.421 12.387 243 H ALA 39 H ALA 39 39.523 -11.545 5.880 244 HA ALA 39 HA ALA 39 37.418 -9.915 4.727 245 HB1 ALA 39 HB1 ALA 39 37.067 -11.841 3.216 246 HB2 ALA 39 HB2 ALA 39 38.198 -12.806 4.171 247 HB3 ALA 39 HB3 ALA 39 38.771 -11.390 3.286 248 H SER 40 H SER 40 37.718 -12.615 6.964 249 HA SER 40 HA SER 40 34.825 -12.958 7.244 250 HB2 SER 40 HB2 SER 40 36.172 -15.003 7.210 251 HB3 SER 40 HB3 SER 40 37.163 -14.422 8.545 252 HG SER 40 HG SER 40 34.559 -15.427 8.544 253 H LYS 41 H LYS 41 33.661 -12.300 8.989 254 HA LYS 41 HA LYS 41 34.489 -10.234 10.709 255 HB2 LYS 41 HB2 LYS 41 32.118 -10.658 10.138 256 HB3 LYS 41 HB3 LYS 41 32.167 -12.192 11.001 257 HG2 LYS 41 HG2 LYS 41 32.778 -10.756 13.095 258 HG3 LYS 41 HG3 LYS 41 32.197 -9.386 12.142 259 HD2 LYS 41 HD2 LYS 41 29.984 -10.455 11.931 260 HD3 LYS 41 HD3 LYS 41 30.572 -11.880 12.792 261 HE2 LYS 41 HE2 LYS 41 31.042 -10.330 14.771 262 HE3 LYS 41 HE3 LYS 41 30.132 -9.096 13.899 263 HZ1 LYS 41 HZ1 LYS 41 28.216 -10.556 13.907 264 HZ2 LYS 41 HZ2 LYS 41 28.755 -10.272 15.481 265 HZ3 LYS 41 HZ3 LYS 41 29.086 -11.749 14.732 266 H GLY 42 H GLY 42 34.058 -13.720 11.251 267 HA2 GLY 42 HA2 GLY 42 34.647 -13.844 14.002 268 HA3 GLY 42 HA3 GLY 42 34.711 -15.186 12.876 269 H ALA 43 H ALA 43 36.723 -13.908 11.170 270 HA ALA 43 HA ALA 43 39.114 -14.768 12.482 271 HB1 ALA 43 HB1 ALA 43 40.253 -14.090 10.419 272 HB2 ALA 43 HB2 ALA 43 38.794 -13.258 9.868 273 HB3 ALA 43 HB3 ALA 43 38.785 -15.010 10.057 274 H GLN 44 H GLN 44 37.620 -11.608 11.910 275 HA GLN 44 HA GLN 44 39.759 -10.001 12.949 276 HB2 GLN 44 HB2 GLN 44 38.047 -8.956 11.559 277 HB3 GLN 44 HB3 GLN 44 36.768 -9.470 12.655 278 HG2 GLN 44 HG2 GLN 44 37.791 -7.973 14.423 279 HG3 GLN 44 HG3 GLN 44 38.897 -7.373 13.190 280 HE21 GLN 44 HE21 GLN 44 35.549 -7.518 14.206 281 HE22 GLN 44 HE22 GLN 44 34.997 -6.180 13.267 282 H GLU 45 H GLU 45 36.788 -11.348 14.328 283 HA GLU 45 HA GLU 45 36.912 -10.200 16.896 284 HB2 GLU 45 HB2 GLU 45 35.555 -12.768 15.981 285 HB3 GLU 45 HB3 GLU 45 35.277 -11.996 17.541 286 HG2 GLU 45 HG2 GLU 45 34.327 -10.023 16.414 287 HG3 GLU 45 HG3 GLU 45 34.643 -10.757 14.841 288 H ARG 46 H ARG 46 38.253 -13.223 15.606 289 HA ARG 46 HA ARG 46 38.730 -14.454 18.123 290 HB2 ARG 46 HB2 ARG 46 39.883 -16.213 16.958 291 HB3 ARG 46 HB3 ARG 46 38.482 -15.751 15.999 292 HG2 ARG 46 HG2 ARG 46 39.941 -14.466 14.481 293 HG3 ARG 46 HG3 ARG 46 41.346 -14.919 15.448 294 HD2 ARG 46 HD2 ARG 46 40.948 -17.296 14.913 295 HD3 ARG 46 HD3 ARG 46 39.534 -16.840 13.954 296 HE ARG 46 HE ARG 46 41.903 -15.498 13.073 297 HH11 ARG 46 HH11 ARG 46 40.222 -18.576 12.871 298 HH12 ARG 46 HH12 ARG 46 40.935 -19.011 11.354 299 HH21 ARG 46 HH21 ARG 46 42.838 -16.097 11.068 300 HH22 ARG 46 HH22 ARG 46 42.415 -17.615 10.342 301 H HIS 47 H HIS 47 40.671 -12.224 16.161 302 HA HIS 47 HA HIS 47 43.081 -12.652 17.641 303 HB2 HIS 47 HB2 HIS 47 42.731 -11.227 15.369 304 HB3 HIS 47 HB3 HIS 47 42.583 -9.880 16.495 305 HD2 HIS 47 HD2 HIS 47 45.127 -12.761 15.734 306 HE1 HIS 47 HE1 HIS 47 47.277 -9.571 17.437 307 HE2 HIS 47 HE2 HIS 47 47.446 -11.792 16.271 308 H LEU 48 H LEU 48 40.440 -10.306 17.857 309 HA LEU 48 HA LEU 48 41.264 -8.884 20.129 310 HB2 LEU 48 HB2 LEU 48 38.464 -9.445 19.090 311 HB3 LEU 48 HB3 LEU 48 38.836 -8.258 20.327 312 HG LEU 48 HG LEU 48 39.792 -8.135 17.444 313 HD11 LEU 48 HD11 LEU 48 38.213 -6.270 17.199 314 HD12 LEU 48 HD12 LEU 48 37.652 -6.501 18.854 315 HD13 LEU 48 HD13 LEU 48 37.368 -7.750 17.639 316 HD21 LEU 48 HD21 LEU 48 40.135 -6.099 19.683 317 HD22 LEU 48 HD22 LEU 48 40.591 -5.863 17.994 318 HD23 LEU 48 HD23 LEU 48 41.419 -7.078 18.962 319 H ARG 49 H ARG 49 39.581 -11.936 19.829 320 HA ARG 49 HA ARG 49 38.631 -12.046 22.557 321 HB2 ARG 49 HB2 ARG 49 37.498 -13.032 20.438 322 HB3 ARG 49 HB3 ARG 49 38.681 -14.324 20.520 323 HG2 ARG 49 HG2 ARG 49 36.740 -13.705 22.779 324 HG3 ARG 49 HG3 ARG 49 36.367 -14.821 21.469 325 HD2 ARG 49 HD2 ARG 49 38.331 -16.205 22.136 326 HD3 ARG 49 HD3 ARG 49 38.607 -15.112 23.496 327 HE ARG 49 HE ARG 49 35.956 -16.303 23.349 328 HH11 ARG 49 HH11 ARG 49 39.173 -16.565 24.756 329 HH12 ARG 49 HH12 ARG 49 38.661 -17.651 26.005 330 HH21 ARG 49 HH21 ARG 49 35.308 -17.716 25.000 331 HH22 ARG 49 HH22 ARG 49 36.473 -18.285 26.159 332 H LEU 50 H LEU 50 41.331 -13.343 20.671 333 HA LEU 50 HA LEU 50 42.246 -14.999 22.958 334 HB2 LEU 50 HB2 LEU 50 42.931 -15.229 20.003 335 HB3 LEU 50 HB3 LEU 50 43.502 -16.308 21.267 336 HG LEU 50 HG LEU 50 40.580 -15.984 20.468 337 HD11 LEU 50 HD11 LEU 50 40.770 -18.193 19.402 338 HD12 LEU 50 HD12 LEU 50 42.501 -18.211 19.740 339 HD13 LEU 50 HD13 LEU 50 41.829 -17.008 18.637 340 HD21 LEU 50 HD21 LEU 50 40.813 -16.673 22.810 341 HD22 LEU 50 HD22 LEU 50 41.879 -18.000 22.336 342 HD23 LEU 50 HD23 LEU 50 40.187 -17.999 21.834 343 H LEU 51 H LEU 51 43.814 -13.284 20.199 344 HA LEU 51 HA LEU 51 46.318 -13.205 21.732 345 HB2 LEU 51 HB2 LEU 51 45.827 -12.481 18.818 346 HB3 LEU 51 HB3 LEU 51 47.388 -12.714 19.593 347 HG LEU 51 HG LEU 51 45.310 -14.870 19.056 348 HD11 LEU 51 HD11 LEU 51 46.487 -14.151 17.032 349 HD12 LEU 51 HD12 LEU 51 46.941 -15.792 17.479 350 HD13 LEU 51 HD13 LEU 51 48.044 -14.457 17.813 351 HD21 LEU 51 HD21 LEU 51 46.460 -15.378 21.164 352 HD22 LEU 51 HD22 LEU 51 48.030 -15.178 20.381 353 HD23 LEU 51 HD23 LEU 51 46.962 -16.500 19.901 354 H HIS 52 H HIS 52 43.792 -11.171 21.452 355 HA HIS 52 HA HIS 52 45.365 -8.787 22.051 356 HB2 HIS 52 HB2 HIS 52 44.133 -9.102 19.504 357 HB3 HIS 52 HB3 HIS 52 42.985 -8.103 20.386 358 HD2 HIS 52 HD2 HIS 52 45.649 -6.602 21.990 359 HE1 HIS 52 HE1 HIS 52 46.180 -5.053 18.139 360 HE2 HIS 52 HE2 HIS 52 46.963 -4.975 20.506 361 H ALA 53 H ALA 53 43.851 -10.768 23.547 362 HA ALA 53 HA ALA 53 41.331 -9.704 24.405 363 HB1 ALA 53 HB1 ALA 53 41.401 -11.502 26.085 364 HB2 ALA 53 HB2 ALA 53 43.092 -11.822 25.696 365 HB3 ALA 53 HB3 ALA 53 41.840 -12.119 24.492 366 H ALA 54 H ALA 54 41.902 -7.545 24.931 367 HA ALA 54 HA ALA 54 42.797 -7.067 27.648 368 HB1 ALA 54 HB1 ALA 54 44.615 -5.514 27.042 369 HB2 ALA 54 HB2 ALA 54 44.384 -5.886 25.331 370 HB3 ALA 54 HB3 ALA 54 44.960 -7.135 26.435 371 H GLN 55 H GLN 55 42.059 -5.620 24.487 372 HA GLN 55 HA GLN 55 40.791 -3.268 25.690 373 HB2 GLN 55 HB2 GLN 55 41.171 -4.019 22.757 374 HB3 GLN 55 HB3 GLN 55 40.581 -2.467 23.354 375 HG2 GLN 55 HG2 GLN 55 43.346 -3.594 23.902 376 HG3 GLN 55 HG3 GLN 55 42.965 -2.435 22.635 377 HE21 GLN 55 HE21 GLN 55 44.396 -0.900 23.477 378 HE22 GLN 55 HE22 GLN 55 44.087 -0.029 24.938 379 H VAL 56 H VAL 56 39.802 -6.344 25.171 380 HA VAL 56 HA VAL 56 37.025 -5.630 24.470 381 HB VAL 56 HB VAL 56 36.668 -8.057 24.059 382 HG11 VAL 56 HG11 VAL 56 37.259 -6.588 22.184 383 HG12 VAL 56 HG12 VAL 56 37.941 -8.196 21.949 384 HG13 VAL 56 HG13 VAL 56 38.978 -6.870 22.477 385 HG21 VAL 56 HG21 VAL 56 38.602 -9.617 23.936 386 HG22 VAL 56 HG22 VAL 56 38.367 -9.015 25.578 387 HG23 VAL 56 HG23 VAL 56 39.664 -8.357 24.576 388 H PHE 57 H PHE 57 35.342 -6.412 25.699 389 HA PHE 57 HA PHE 57 35.852 -7.213 28.491 390 HB2 PHE 57 HB2 PHE 57 33.968 -5.028 27.483 391 HB3 PHE 57 HB3 PHE 57 34.033 -5.611 29.140 392 HD1 PHE 57 HD2 PHE 57 36.002 -5.095 30.583 393 HD2 PHE 57 HD1 PHE 57 35.704 -3.542 26.601 394 HE1 PHE 57 HE2 PHE 57 37.804 -3.488 31.067 395 HE2 PHE 57 HE1 PHE 57 37.510 -1.950 27.092 396 HZ PHE 57 HZ PHE 57 38.562 -1.919 29.322 397 HA PRO 58 HA PRO 58 32.738 -10.087 26.599 398 HB2 PRO 58 HB2 PRO 58 33.702 -12.404 27.615 399 HB3 PRO 58 HB3 PRO 58 34.481 -11.600 26.245 400 HG2 PRO 58 HG2 PRO 58 35.257 -11.576 29.157 401 HG3 PRO 58 HG3 PRO 58 36.293 -11.752 27.724 402 HD2 PRO 58 HD2 PRO 58 35.927 -9.365 29.092 403 HD3 PRO 58 HD3 PRO 58 36.400 -9.462 27.380 404 H CYS 59 H CYS 59 30.753 -10.375 27.481 405 HA CYS 59 HA CYS 59 30.179 -10.150 30.286 406 HB2 CYS 59 HB2 CYS 59 28.483 -9.440 28.693 407 HB3 CYS 59 HB3 CYS 59 28.438 -11.027 27.942 408 H LYS 60 H LYS 60 30.622 -11.701 31.731 409 HA LYS 60 HA LYS 60 32.089 -13.962 31.039 410 HB2 LYS 60 HB2 LYS 60 30.845 -13.144 33.698 411 HB3 LYS 60 HB3 LYS 60 31.891 -14.549 33.548 412 HG2 LYS 60 HG2 LYS 60 33.194 -12.718 34.413 413 HG3 LYS 60 HG3 LYS 60 33.747 -13.068 32.775 414 HD2 LYS 60 HD2 LYS 60 32.399 -11.135 31.949 415 HD3 LYS 60 HD3 LYS 60 31.926 -10.779 33.610 416 HE2 LYS 60 HE2 LYS 60 34.194 -10.218 34.203 417 HE3 LYS 60 HE3 LYS 60 34.808 -10.808 32.656 418 HZ1 LYS 60 HZ1 LYS 60 34.654 -8.401 32.704 419 HZ2 LYS 60 HZ2 LYS 60 33.001 -8.484 33.024 420 HZ3 LYS 60 HZ3 LYS 60 33.602 -9.044 31.546 421 H TYR 61 H TYR 61 28.666 -13.743 31.552 422 HA TYR 61 HA TYR 61 28.301 -16.516 32.352 423 HB2 TYR 61 HB2 TYR 61 26.132 -14.467 31.757 424 HB3 TYR 61 HB3 TYR 61 26.002 -15.913 32.758 425 HD1 TYR 61 HD2 TYR 61 27.206 -15.962 35.017 426 HD2 TYR 61 HD1 TYR 61 26.959 -12.388 32.676 427 HE1 TYR 61 HE2 TYR 61 27.856 -14.618 36.978 428 HE2 TYR 61 HE1 TYR 61 27.612 -11.060 34.632 429 HH TYR 61 HH TYR 61 28.791 -12.507 37.537 430 H CYS 62 H CYS 62 28.277 -14.762 29.372 431 HA CYS 62 HA CYS 62 27.306 -17.137 27.898 432 HB2 CYS 62 HB2 CYS 62 26.181 -15.621 26.244 433 HB3 CYS 62 HB3 CYS 62 25.456 -15.503 27.833 434 HA PRO 63 HA PRO 63 31.008 -16.178 25.395 435 HB2 PRO 63 HB2 PRO 63 30.501 -17.492 23.069 436 HB3 PRO 63 HB3 PRO 63 30.843 -18.360 24.572 437 HG2 PRO 63 HG2 PRO 63 28.187 -17.810 23.262 438 HG3 PRO 63 HG3 PRO 63 28.767 -19.303 24.030 439 HD2 PRO 63 HD2 PRO 63 27.106 -17.479 25.282 440 HD3 PRO 63 HD3 PRO 63 28.197 -18.574 26.153 441 H ALA 64 H ALA 64 29.945 -13.934 25.588 442 HA ALA 64 HA ALA 64 29.479 -12.767 22.910 443 HB1 ALA 64 HB1 ALA 64 27.318 -12.848 24.114 444 HB2 ALA 64 HB2 ALA 64 27.864 -11.184 23.902 445 HB3 ALA 64 HB3 ALA 64 28.029 -11.976 25.472 446 H THR 65 H THR 65 31.543 -12.052 22.692 447 HA THR 65 HA THR 65 32.872 -10.562 24.836 448 HB THR 65 HB THR 65 33.939 -11.415 22.103 449 HG1 THR 65 HG1 THR 65 33.463 -12.817 24.366 450 HG21 THR 65 HG21 THR 65 35.228 -9.533 23.075 451 HG22 THR 65 HG22 THR 65 36.175 -11.022 23.119 452 HG23 THR 65 HG23 THR 65 35.401 -10.422 24.589 453 H PHE 66 H PHE 66 32.385 -8.470 24.944 454 HA PHE 66 HA PHE 66 31.606 -6.909 22.594 455 HB2 PHE 66 HB2 PHE 66 31.721 -6.140 25.561 456 HB3 PHE 66 HB3 PHE 66 31.072 -5.128 24.264 457 HD1 PHE 66 HD2 PHE 66 28.961 -5.768 23.105 458 HD2 PHE 66 HD1 PHE 66 30.417 -8.010 26.451 459 HE1 PHE 66 HE2 PHE 66 26.765 -6.844 23.348 460 HE2 PHE 66 HE1 PHE 66 28.219 -9.085 26.668 461 HZ PHE 66 HZ PHE 66 26.397 -8.505 25.124 462 H TYR 67 H TYR 67 32.715 -5.010 21.995 463 HA TYR 67 HA TYR 67 35.597 -5.028 22.497 464 HB2 TYR 67 HB2 TYR 67 34.664 -4.857 20.171 465 HB3 TYR 67 HB3 TYR 67 33.921 -3.322 20.598 466 HD1 TYR 67 HD1 TYR 67 37.339 -4.928 20.732 467 HD2 TYR 67 HD2 TYR 67 35.077 -1.401 19.871 468 HE1 TYR 67 HE1 TYR 67 39.389 -3.768 20.051 469 HE2 TYR 67 HE2 TYR 67 37.134 -0.251 19.192 470 HH TYR 67 HH TYR 67 39.546 -0.407 19.560 471 H SER 68 H SER 68 32.867 -3.542 23.804 472 HA SER 68 HA SER 68 34.442 -1.349 24.996 473 HB2 SER 68 HB2 SER 68 31.555 -1.125 24.041 474 HB3 SER 68 HB3 SER 68 32.507 0.161 24.789 475 HG SER 68 HG SER 68 33.457 -1.113 22.468 476 H SER 69 H SER 69 33.956 -0.828 27.088 477 HA SER 69 HA SER 69 33.028 -2.900 28.792 478 HB2 SER 69 HB2 SER 69 33.490 -1.156 30.623 479 HB3 SER 69 HB3 SER 69 34.853 -1.604 29.594 480 HG SER 69 HG SER 69 34.844 0.341 28.705 481 HA PRO 70 HA PRO 70 29.047 0.088 29.461 482 HB2 PRO 70 HB2 PRO 70 28.685 0.585 26.496 483 HB3 PRO 70 HB3 PRO 70 28.174 1.573 27.877 484 HG2 PRO 70 HG2 PRO 70 30.325 2.284 26.473 485 HG3 PRO 70 HG3 PRO 70 30.342 2.411 28.247 486 HD2 PRO 70 HD2 PRO 70 31.601 0.312 26.483 487 HD3 PRO 70 HD3 PRO 70 32.240 1.082 27.948 488 H GLY 71 H GLY 71 29.471 -1.620 26.321 489 HA2 GLY 71 HA2 GLY 71 27.032 -3.010 26.254 490 HA3 GLY 71 HA3 GLY 71 28.484 -3.460 25.381 491 H LEU 72 H LEU 72 30.107 -3.892 27.736 492 HA LEU 72 HA LEU 72 29.647 -6.536 28.511 493 HB2 LEU 72 HB2 LEU 72 31.825 -5.546 28.812 494 HB3 LEU 72 HB3 LEU 72 31.179 -4.258 29.807 495 HG LEU 72 HG LEU 72 30.679 -5.945 31.607 496 HD11 LEU 72 HD11 LEU 72 30.500 -7.950 30.259 497 HD12 LEU 72 HD12 LEU 72 31.720 -8.158 31.510 498 HD13 LEU 72 HD13 LEU 72 32.217 -7.859 29.843 499 HD21 LEU 72 HD21 LEU 72 32.718 -4.578 31.702 500 HD22 LEU 72 HD22 LEU 72 33.596 -5.813 30.797 501 HD23 LEU 72 HD23 LEU 72 32.969 -6.171 32.407 502 H THR 73 H THR 73 29.052 -3.552 30.380 503 HA THR 73 HA THR 73 27.749 -4.800 32.587 504 HB THR 73 HB THR 73 27.655 -1.858 31.740 505 HG1 THR 73 HG1 THR 73 29.526 -1.664 33.052 506 HG21 THR 73 HG21 THR 73 27.362 -1.402 34.159 507 HG22 THR 73 HG22 THR 73 27.340 -3.135 34.495 508 HG23 THR 73 HG23 THR 73 26.041 -2.393 33.552 509 H ARG 74 H ARG 74 26.625 -3.486 29.537 510 HA ARG 74 HA ARG 74 23.871 -3.169 30.184 511 HB2 ARG 74 HB2 ARG 74 25.343 -3.367 27.531 512 HB3 ARG 74 HB3 ARG 74 23.588 -3.224 27.604 513 HG2 ARG 74 HG2 ARG 74 23.764 -1.059 28.711 514 HG3 ARG 74 HG3 ARG 74 25.525 -1.201 28.771 515 HD2 ARG 74 HD2 ARG 74 25.624 -1.184 26.313 516 HD3 ARG 74 HD3 ARG 74 23.861 -1.084 26.231 517 HE ARG 74 HE ARG 74 24.636 1.058 27.761 518 HH11 ARG 74 HH11 ARG 74 25.401 -0.025 24.494 519 HH12 ARG 74 HH12 ARG 74 25.559 1.588 23.874 520 HH21 ARG 74 HH21 ARG 74 24.858 3.160 26.914 521 HH22 ARG 74 HH22 ARG 74 25.256 3.386 25.241 522 H HIS 75 H HIS 75 25.769 -5.909 28.840 523 HA HIS 75 HA HIS 75 23.441 -7.465 28.251 524 HB2 HIS 75 HB2 HIS 75 26.008 -7.883 27.488 525 HB3 HIS 75 HB3 HIS 75 25.964 -9.006 28.845 526 HD2 HIS 75 HD2 HIS 75 24.167 -8.367 25.446 527 HE1 HIS 75 HE1 HIS 75 23.064 -12.215 26.708 528 HE2 HIS 75 HE2 HIS 75 22.842 -10.497 24.895 529 H ILE 76 H ILE 76 25.305 -6.916 31.145 530 HA ILE 76 HA ILE 76 24.168 -9.027 32.711 531 HB ILE 76 HB ILE 76 25.358 -6.375 33.667 532 HG12 ILE 76 HG12 ILE 76 26.730 -9.099 33.361 533 HG13 ILE 76 HG13 ILE 76 26.943 -7.732 32.272 534 HG21 ILE 76 HG21 ILE 76 24.862 -8.960 35.216 535 HG22 ILE 76 HG22 ILE 76 23.995 -7.438 35.423 536 HG23 ILE 76 HG23 ILE 76 25.703 -7.539 35.846 537 HD11 ILE 76 HD11 ILE 76 27.714 -7.776 35.184 538 HD12 ILE 76 HD12 ILE 76 27.971 -6.445 34.051 539 HD13 ILE 76 HD13 ILE 76 28.802 -7.983 33.813 540 H ASN 77 H ASN 77 23.581 -5.487 32.739 541 HA ASN 77 HA ASN 77 21.431 -5.445 34.494 542 HB2 ASN 77 HB2 ASN 77 22.068 -3.474 32.265 543 HB3 ASN 77 HB3 ASN 77 20.972 -3.155 33.607 544 HD21 ASN 77 HD21 ASN 77 23.361 -1.714 32.870 545 HD22 ASN 77 HD22 ASN 77 24.422 -1.767 34.231 546 H LYS 78 H LYS 78 21.427 -5.922 31.003 547 HA LYS 78 HA LYS 78 18.505 -5.784 30.819 548 HB2 LYS 78 HB2 LYS 78 19.900 -4.627 29.105 549 HB3 LYS 78 HB3 LYS 78 20.605 -6.168 28.647 550 HG2 LYS 78 HG2 LYS 78 18.926 -5.515 27.013 551 HG3 LYS 78 HG3 LYS 78 18.393 -6.963 27.868 552 HD2 LYS 78 HD2 LYS 78 16.519 -5.412 27.575 553 HD3 LYS 78 HD3 LYS 78 16.903 -5.574 29.290 554 HE2 LYS 78 HE2 LYS 78 18.134 -3.423 29.211 555 HE3 LYS 78 HE3 LYS 78 17.751 -3.268 27.494 556 HZ1 LYS 78 HZ1 LYS 78 15.391 -3.240 28.087 557 HZ2 LYS 78 HZ2 LYS 78 16.232 -1.974 28.828 558 HZ3 LYS 78 HZ3 LYS 78 15.796 -3.335 29.725 559 H CYS 79 H CYS 79 21.088 -8.182 29.952 560 HA CYS 79 HA CYS 79 18.934 -10.177 29.486 561 HB2 CYS 79 HB2 CYS 79 19.866 -9.225 27.386 562 HB3 CYS 79 HB3 CYS 79 21.466 -9.787 27.852 563 HG CYS 79 HG CYS 79 19.701 -12.434 28.023 564 H HIS 80 H HIS 80 21.283 -9.608 31.610 565 HA HIS 80 HA HIS 80 21.417 -12.393 32.384 566 HB2 HIS 80 HB2 HIS 80 23.773 -11.040 31.158 567 HB3 HIS 80 HB3 HIS 80 24.154 -11.683 32.753 568 HD2 HIS 80 HD2 HIS 80 22.562 -14.411 32.733 569 HE1 HIS 80 HE1 HIS 80 24.518 -15.276 29.128 570 HE2 HIS 80 HE2 HIS 80 23.028 -16.173 30.925 571 HA PRO 81 HA PRO 81 21.507 -9.328 35.974 572 HB2 PRO 81 HB2 PRO 81 18.999 -8.424 36.296 573 HB3 PRO 81 HB3 PRO 81 20.020 -7.793 34.998 574 HG2 PRO 81 HG2 PRO 81 17.707 -9.680 34.833 575 HG3 PRO 81 HG3 PRO 81 18.292 -8.507 33.637 576 HD2 PRO 81 HD2 PRO 81 18.864 -11.344 33.754 577 HD3 PRO 81 HD3 PRO 81 19.476 -10.159 32.579 578 H SER 82 H SER 82 20.675 -9.510 38.156 579 HA SER 82 HA SER 82 20.199 -10.608 40.058 580 HB2 SER 82 HB2 SER 82 17.852 -10.314 39.194 581 HB3 SER 82 HB3 SER 82 17.952 -11.908 38.449 582 HG SER 82 HG SER 82 18.141 -12.809 40.495 583 H GLU 83 H GLU 83 22.342 -11.620 39.020 584 HA GLU 83 HA GLU 83 22.335 -14.398 38.377 585 HB2 GLU 83 HB2 GLU 83 24.717 -12.799 39.418 586 HB3 GLU 83 HB3 GLU 83 24.765 -14.300 38.506 587 HG2 GLU 83 HG2 GLU 83 25.270 -12.851 36.795 588 HG3 GLU 83 HG3 GLU 83 23.517 -12.808 36.653 589 H ASN 84 H ASN 84 22.998 -12.532 41.316 590 HA ASN 84 HA ASN 84 23.531 -14.760 43.004 591 HB2 ASN 84 HB2 ASN 84 23.460 -13.180 44.867 592 HB3 ASN 84 HB3 ASN 84 24.392 -12.515 43.535 593 HD21 ASN 84 HD21 ASN 84 21.821 -11.692 42.086 594 HD22 ASN 84 HD22 ASN 84 21.310 -10.285 42.934 595 H ARG 85 H ARG 85 21.914 -16.255 42.793 596 HA ARG 85 HA ARG 85 19.419 -15.715 44.279 597 HB2 ARG 85 HB2 ARG 85 19.589 -17.289 41.657 598 HB3 ARG 85 HB3 ARG 85 18.167 -17.223 42.693 599 HG2 ARG 85 HG2 ARG 85 18.073 -14.740 42.296 600 HG3 ARG 85 HG3 ARG 85 19.409 -14.921 41.157 601 HD2 ARG 85 HD2 ARG 85 16.659 -16.186 40.914 602 HD3 ARG 85 HD3 ARG 85 17.272 -14.827 39.970 603 HE ARG 85 HE ARG 85 19.055 -16.549 39.228 604 HH11 ARG 85 HH11 ARG 85 15.706 -17.397 39.897 605 HH12 ARG 85 HH12 ARG 85 15.666 -18.659 38.711 606 HH21 ARG 85 HH21 ARG 85 18.980 -18.242 37.704 607 HH22 ARG 85 HH22 ARG 85 17.510 -19.134 37.478 Start of MODEL 12 1 H1 MET 1 H1 MET 1 46.785 -31.681 19.600 2 H2 MET 1 H2 MET 1 47.079 -32.435 18.116 3 H3 MET 1 H3 MET 1 45.516 -32.395 18.752 4 HA MET 1 HA MET 1 45.448 -30.013 18.555 5 HB2 MET 1 HB2 MET 1 48.175 -30.391 17.225 6 HB3 MET 1 HB3 MET 1 47.264 -28.886 17.230 7 HG2 MET 1 HG2 MET 1 48.374 -30.275 19.682 8 HG3 MET 1 HG3 MET 1 49.063 -28.854 18.889 9 HE1 MET 1 HE1 MET 1 47.698 -27.212 22.139 10 HE2 MET 1 HE2 MET 1 49.073 -27.360 21.043 11 HE3 MET 1 HE3 MET 1 48.525 -28.759 21.971 12 H GLY 2 H GLY 2 45.592 -28.929 16.112 13 HA2 GLY 2 HA2 GLY 2 45.415 -29.785 13.715 14 HA3 GLY 2 HA3 GLY 2 44.151 -30.831 14.359 15 H HIS 3 H HIS 3 43.648 -29.036 12.308 16 HA HIS 3 HA HIS 3 42.471 -26.592 13.174 17 HB2 HIS 3 HB2 HIS 3 41.935 -28.245 10.667 18 HB3 HIS 3 HB3 HIS 3 41.296 -26.630 10.948 19 HD1 HIS 3 HD1 HIS 3 44.060 -28.310 9.367 20 HD2 HIS 3 HD2 HIS 3 43.546 -24.654 11.286 21 HE1 HIS 3 HE1 HIS 3 45.966 -26.870 8.613 22 HE2 HIS 3 HE2 HIS 3 45.697 -24.711 9.860 23 H HIS 4 H HIS 4 40.849 -26.541 14.609 24 HA HIS 4 HA HIS 4 38.927 -28.742 14.857 25 HB2 HIS 4 HB2 HIS 4 39.146 -26.173 16.494 26 HB3 HIS 4 HB3 HIS 4 38.174 -27.587 16.897 27 HD1 HIS 4 HD1 HIS 4 40.923 -26.128 18.233 28 HD2 HIS 4 HD2 HIS 4 40.386 -29.947 16.690 29 HE1 HIS 4 HE1 HIS 4 42.713 -27.537 19.275 30 HE2 HIS 4 HE2 HIS 4 42.231 -29.872 18.493 31 H HIS 5 H HIS 5 38.633 -25.180 14.721 32 HA HIS 5 HA HIS 5 36.173 -25.393 13.082 33 HB2 HIS 5 HB2 HIS 5 37.135 -23.102 14.863 34 HB3 HIS 5 HB3 HIS 5 35.665 -23.083 13.889 35 HD1 HIS 5 HD1 HIS 5 33.607 -24.077 14.921 36 HD2 HIS 5 HD2 HIS 5 37.036 -24.994 17.081 37 HE1 HIS 5 HE1 HIS 5 32.807 -25.203 17.009 38 HE2 HIS 5 HE2 HIS 5 34.886 -25.626 18.354 39 H HIS 6 H HIS 6 36.562 -24.992 10.969 40 HA HIS 6 HA HIS 6 38.671 -23.174 10.082 41 HB2 HIS 6 HB2 HIS 6 39.876 -24.966 8.825 42 HB3 HIS 6 HB3 HIS 6 39.969 -25.172 10.566 43 HD1 HIS 6 HD1 HIS 6 38.827 -26.865 7.478 44 HD2 HIS 6 HD2 HIS 6 38.436 -27.410 11.568 45 HE1 HIS 6 HE1 HIS 6 38.001 -29.205 7.767 46 HE2 HIS 6 HE2 HIS 6 37.932 -29.562 10.256 47 H HIS 7 H HIS 7 35.804 -25.002 9.458 48 HA HIS 7 HA HIS 7 34.361 -25.275 7.742 49 HB2 HIS 7 HB2 HIS 7 35.774 -22.904 6.445 50 HB3 HIS 7 HB3 HIS 7 34.240 -23.577 5.915 51 HD1 HIS 7 HD1 HIS 7 35.712 -21.168 8.250 52 HD2 HIS 7 HD2 HIS 7 32.051 -23.086 7.782 53 HE1 HIS 7 HE1 HIS 7 34.082 -19.861 9.637 54 HE2 HIS 7 HE2 HIS 7 31.852 -20.931 9.193 55 H HIS 8 H HIS 8 34.255 -25.661 5.235 56 HA HIS 8 HA HIS 8 36.358 -27.557 4.548 57 HB2 HIS 8 HB2 HIS 8 33.736 -26.858 3.161 58 HB3 HIS 8 HB3 HIS 8 34.848 -28.102 2.603 59 HD1 HIS 8 HD1 HIS 8 33.437 -30.164 3.003 60 HD2 HIS 8 HD2 HIS 8 33.624 -27.727 6.362 61 HE1 HIS 8 HE1 HIS 8 32.334 -31.455 4.847 62 HE2 HIS 8 HE2 HIS 8 32.572 -30.014 6.888 63 H SER 9 H SER 9 38.075 -26.971 3.401 64 HA SER 9 HA SER 9 38.424 -24.314 2.402 65 HB2 SER 9 HB2 SER 9 40.246 -26.736 2.134 66 HB3 SER 9 HB3 SER 9 40.711 -25.052 1.890 67 HG SER 9 HG SER 9 39.891 -24.806 4.154 68 H HIS 10 H HIS 10 39.000 -23.675 0.291 69 HA HIS 10 HA HIS 10 37.824 -25.268 -1.921 70 HB2 HIS 10 HB2 HIS 10 38.226 -22.250 -1.666 71 HB3 HIS 10 HB3 HIS 10 37.526 -23.065 -3.062 72 HD1 HIS 10 HD1 HIS 10 35.044 -23.456 -2.995 73 HD2 HIS 10 HD2 HIS 10 36.553 -22.371 0.721 74 HE1 HIS 10 HE1 HIS 10 33.045 -23.120 -1.529 75 HE2 HIS 10 HE2 HIS 10 33.981 -22.241 0.633 76 H MET 11 H MET 11 39.004 -25.520 -3.792 77 HA MET 11 HA MET 11 41.894 -25.331 -3.648 78 HB2 MET 11 HB2 MET 11 40.106 -26.182 -5.981 79 HB3 MET 11 HB3 MET 11 41.847 -26.421 -5.878 80 HG2 MET 11 HG2 MET 11 41.532 -27.949 -3.974 81 HG3 MET 11 HG3 MET 11 39.788 -27.700 -4.056 82 HE1 MET 11 HE1 MET 11 42.938 -29.247 -5.873 83 HE2 MET 11 HE2 MET 11 42.335 -28.096 -7.065 84 HE3 MET 11 HE3 MET 11 42.212 -29.826 -7.374 85 H GLY 12 H GLY 12 42.515 -23.184 -3.666 86 HA2 GLY 12 HA2 GLY 12 41.357 -21.074 -5.129 87 HA3 GLY 12 HA3 GLY 12 42.976 -21.079 -4.446 88 H ASP 13 H ASP 13 43.880 -23.339 -5.940 89 HA ASP 13 HA ASP 13 44.928 -24.005 -7.786 90 HB2 ASP 13 HB2 ASP 13 42.678 -24.153 -8.796 91 HB3 ASP 13 HB3 ASP 13 42.767 -22.463 -9.289 92 H GLY 14 H GLY 14 46.908 -23.280 -8.181 93 HA2 GLY 14 HA2 GLY 14 47.628 -21.259 -9.913 94 HA3 GLY 14 HA3 GLY 14 47.602 -20.498 -8.326 95 H GLU 15 H GLU 15 49.703 -21.612 -10.421 96 HA GLU 15 HA GLU 15 51.466 -23.150 -8.697 97 HB2 GLU 15 HB2 GLU 15 51.338 -23.612 -11.142 98 HB3 GLU 15 HB3 GLU 15 51.929 -21.987 -11.481 99 HG2 GLU 15 HG2 GLU 15 54.048 -22.550 -10.290 100 HG3 GLU 15 HG3 GLU 15 53.461 -24.194 -10.051 101 H GLY 16 H GLY 16 52.370 -21.997 -7.074 102 HA2 GLY 16 HA2 GLY 16 52.965 -19.153 -7.312 103 HA3 GLY 16 HA3 GLY 16 53.147 -20.159 -5.884 104 H ALA 17 H ALA 17 54.540 -19.787 -9.146 105 HA ALA 17 HA ALA 17 57.101 -20.852 -8.559 106 HB1 ALA 17 HB1 ALA 17 57.780 -19.901 -10.728 107 HB2 ALA 17 HB2 ALA 17 56.294 -18.952 -10.784 108 HB3 ALA 17 HB3 ALA 17 56.217 -20.714 -10.860 109 H GLY 18 H GLY 18 55.739 -17.593 -8.387 110 HA2 GLY 18 HA2 GLY 18 57.237 -16.608 -6.335 111 HA3 GLY 18 HA3 GLY 18 58.224 -16.261 -7.749 112 H VAL 19 H VAL 19 54.723 -16.069 -6.997 113 HA VAL 19 HA VAL 19 54.723 -13.200 -7.803 114 HB VAL 19 HB VAL 19 52.293 -13.467 -8.378 115 HG11 VAL 19 HG11 VAL 19 53.956 -13.553 -10.162 116 HG12 VAL 19 HG12 VAL 19 52.619 -14.643 -10.522 117 HG13 VAL 19 HG13 VAL 19 54.151 -15.294 -9.936 118 HG21 VAL 19 HG21 VAL 19 52.769 -16.454 -7.963 119 HG22 VAL 19 HG22 VAL 19 51.317 -15.731 -8.656 120 HG23 VAL 19 HG23 VAL 19 51.733 -15.416 -6.974 121 H LEU 20 H LEU 20 52.802 -12.004 -6.790 122 HA LEU 20 HA LEU 20 52.014 -12.868 -4.132 123 HB2 LEU 20 HB2 LEU 20 52.855 -10.693 -3.090 124 HB3 LEU 20 HB3 LEU 20 54.074 -11.882 -3.496 125 HG LEU 20 HG LEU 20 54.554 -10.513 -5.616 126 HD11 LEU 20 HD11 LEU 20 52.942 -8.364 -4.209 127 HD12 LEU 20 HD12 LEU 20 52.566 -9.123 -5.756 128 HD13 LEU 20 HD13 LEU 20 53.997 -8.109 -5.604 129 HD21 LEU 20 HD21 LEU 20 55.154 -9.226 -2.939 130 HD22 LEU 20 HD22 LEU 20 56.014 -8.916 -4.448 131 HD23 LEU 20 HD23 LEU 20 56.079 -10.516 -3.714 132 H GLY 21 H GLY 21 50.513 -11.280 -3.125 133 HA2 GLY 21 HA2 GLY 21 48.958 -9.683 -5.100 134 HA3 GLY 21 HA3 GLY 21 48.218 -10.665 -3.835 135 H LEU 22 H LEU 22 51.149 -8.811 -3.377 136 HA LEU 22 HA LEU 22 50.060 -7.466 -1.056 137 HB2 LEU 22 HB2 LEU 22 52.533 -8.450 -1.660 138 HB3 LEU 22 HB3 LEU 22 52.789 -6.788 -2.141 139 HG LEU 22 HG LEU 22 52.016 -7.745 0.645 140 HD11 LEU 22 HD11 LEU 22 54.321 -8.310 0.081 141 HD12 LEU 22 HD12 LEU 22 54.279 -7.052 1.312 142 HD13 LEU 22 HD13 LEU 22 54.648 -6.632 -0.362 143 HD21 LEU 22 HD21 LEU 22 52.396 -5.420 1.405 144 HD22 LEU 22 HD22 LEU 22 51.051 -5.531 0.275 145 HD23 LEU 22 HD23 LEU 22 52.608 -4.912 -0.274 146 H SER 23 H SER 23 49.680 -5.256 -0.842 147 HA SER 23 HA SER 23 49.474 -3.058 -1.215 148 HB2 SER 23 HB2 SER 23 51.619 -3.076 -2.513 149 HB3 SER 23 HB3 SER 23 50.702 -3.393 -3.984 150 HG SER 23 HG SER 23 49.634 -1.397 -3.657 151 H ALA 24 H ALA 24 48.654 -4.911 -4.180 152 HA ALA 24 HA ALA 24 46.166 -3.457 -4.554 153 HB1 ALA 24 HB1 ALA 24 45.800 -4.939 -6.477 154 HB2 ALA 24 HB2 ALA 24 47.194 -5.915 -6.013 155 HB3 ALA 24 HB3 ALA 24 47.425 -4.242 -6.523 156 H SER 25 H SER 25 44.990 -3.822 -2.696 157 HA SER 25 HA SER 25 43.746 -6.470 -2.390 158 HB2 SER 25 HB2 SER 25 44.852 -4.864 -0.037 159 HB3 SER 25 HB3 SER 25 43.986 -6.396 0.069 160 HG SER 25 HG SER 25 45.962 -6.855 -1.564 161 H ALA 26 H ALA 26 41.638 -6.399 -1.504 162 HA ALA 26 HA ALA 26 40.201 -3.864 -1.793 163 HB1 ALA 26 HB1 ALA 26 38.170 -5.249 -1.578 164 HB2 ALA 26 HB2 ALA 26 39.168 -6.662 -1.219 165 HB3 ALA 26 HB3 ALA 26 39.263 -5.900 -2.805 166 H GLU 27 H GLU 27 38.602 -3.218 -0.131 167 HA GLU 27 HA GLU 27 39.692 -3.060 2.507 168 HB2 GLU 27 HB2 GLU 27 38.392 -1.208 1.545 169 HB3 GLU 27 HB3 GLU 27 36.965 -2.233 1.413 170 HG2 GLU 27 HG2 GLU 27 36.947 -2.439 3.923 171 HG3 GLU 27 HG3 GLU 27 38.288 -1.294 3.987 172 H CYS 28 H CYS 28 39.764 -4.967 3.628 173 HA CYS 28 HA CYS 28 37.250 -6.498 4.068 174 HB2 CYS 28 HB2 CYS 28 40.100 -7.436 4.600 175 HB3 CYS 28 HB3 CYS 28 38.637 -8.417 4.554 176 HG CYS 28 HG CYS 28 39.706 -6.764 1.773 177 H HIS 29 H HIS 29 37.263 -7.496 6.425 178 HA HIS 29 HA HIS 29 37.002 -5.160 8.064 179 HB2 HIS 29 HB2 HIS 29 35.452 -7.240 8.023 180 HB3 HIS 29 HB3 HIS 29 36.624 -8.004 9.088 181 HD1 HIS 29 HD1 HIS 29 33.588 -6.100 9.240 182 HD2 HIS 29 HD2 HIS 29 37.052 -6.223 11.517 183 HE1 HIS 29 HE1 HIS 29 33.000 -5.048 11.435 184 HE2 HIS 29 HE2 HIS 29 35.070 -5.268 12.837 185 H LEU 30 H LEU 30 38.310 -4.377 9.581 186 HA LEU 30 HA LEU 30 40.932 -5.564 10.051 187 HB2 LEU 30 HB2 LEU 30 39.825 -2.894 11.001 188 HB3 LEU 30 HB3 LEU 30 41.511 -3.388 11.006 189 HG LEU 30 HG LEU 30 39.818 -2.843 8.532 190 HD11 LEU 30 HD11 LEU 30 41.262 -0.894 8.165 191 HD12 LEU 30 HD12 LEU 30 42.124 -1.232 9.667 192 HD13 LEU 30 HD13 LEU 30 40.421 -0.777 9.711 193 HD21 LEU 30 HD21 LEU 30 42.746 -3.641 8.687 194 HD22 LEU 30 HD22 LEU 30 41.903 -3.115 7.229 195 HD23 LEU 30 HD23 LEU 30 41.422 -4.609 8.026 196 H CYS 31 H CYS 31 41.640 -6.366 12.037 197 HA CYS 31 HA CYS 31 39.924 -6.739 14.292 198 HB2 CYS 31 HB2 CYS 31 41.884 -8.201 14.017 199 HB3 CYS 31 HB3 CYS 31 42.969 -6.823 14.067 200 HA PRO 32 HA PRO 32 40.095 -2.281 15.092 201 HB2 PRO 32 HB2 PRO 32 38.238 -2.099 17.079 202 HB3 PRO 32 HB3 PRO 32 37.801 -2.478 15.409 203 HG2 PRO 32 HG2 PRO 32 38.205 -4.380 17.727 204 HG3 PRO 32 HG3 PRO 32 36.860 -4.305 16.563 205 HD2 PRO 32 HD2 PRO 32 38.915 -6.062 16.267 206 HD3 PRO 32 HD3 PRO 32 38.092 -5.337 14.871 207 H VAL 33 H VAL 33 42.002 -4.189 16.654 208 HA VAL 33 HA VAL 33 42.835 -2.153 18.615 209 HB VAL 33 HB VAL 33 43.352 -5.133 18.999 210 HG11 VAL 33 HG11 VAL 33 43.920 -4.499 21.327 211 HG12 VAL 33 HG12 VAL 33 43.615 -2.803 20.940 212 HG13 VAL 33 HG13 VAL 33 44.939 -3.663 20.153 213 HG21 VAL 33 HG21 VAL 33 40.907 -4.798 19.138 214 HG22 VAL 33 HG22 VAL 33 41.134 -3.530 20.344 215 HG23 VAL 33 HG23 VAL 33 41.580 -5.196 20.720 216 H CYS 34 H CYS 34 43.635 -4.105 15.854 217 HA CYS 34 HA CYS 34 46.270 -2.837 15.655 218 HB2 CYS 34 HB2 CYS 34 47.474 -4.901 15.091 219 HB3 CYS 34 HB3 CYS 34 46.802 -5.026 16.704 220 H GLY 35 H GLY 35 46.861 -2.353 13.553 221 HA2 GLY 35 HA2 GLY 35 45.009 -2.500 11.407 222 HA3 GLY 35 HA3 GLY 35 46.719 -2.098 11.270 223 H GLU 36 H GLU 36 44.418 -4.298 10.343 224 HA GLU 36 HA GLU 36 46.041 -6.486 9.560 225 HB2 GLU 36 HB2 GLU 36 46.337 -6.626 12.060 226 HB3 GLU 36 HB3 GLU 36 44.602 -6.849 12.234 227 HG2 GLU 36 HG2 GLU 36 44.778 -8.978 10.976 228 HG3 GLU 36 HG3 GLU 36 46.530 -8.757 10.875 229 H SER 37 H SER 37 44.768 -7.109 7.857 230 HA SER 37 HA SER 37 41.838 -6.710 8.015 231 HB2 SER 37 HB2 SER 37 43.300 -5.437 6.331 232 HB3 SER 37 HB3 SER 37 43.533 -6.971 5.497 233 HG SER 37 HG SER 37 41.088 -5.608 5.968 234 H PHE 38 H PHE 38 40.437 -8.345 7.646 235 HA PHE 38 HA PHE 38 41.345 -10.968 6.634 236 HB2 PHE 38 HB2 PHE 38 39.571 -10.542 9.091 237 HB3 PHE 38 HB3 PHE 38 39.885 -12.103 8.339 238 HD1 PHE 38 HD2 PHE 38 42.406 -12.841 8.182 239 HD2 PHE 38 HD1 PHE 38 40.969 -9.823 10.857 240 HE1 PHE 38 HE2 PHE 38 44.374 -13.175 9.622 241 HE2 PHE 38 HE1 PHE 38 42.938 -10.160 12.280 242 HZ PHE 38 HZ PHE 38 44.639 -11.837 11.675 243 H ALA 39 H ALA 39 39.939 -11.934 5.234 244 HA ALA 39 HA ALA 39 37.770 -10.470 4.068 245 HB1 ALA 39 HB1 ALA 39 39.199 -11.985 2.732 246 HB2 ALA 39 HB2 ALA 39 37.504 -12.458 2.617 247 HB3 ALA 39 HB3 ALA 39 38.605 -13.372 3.652 248 H SER 40 H SER 40 38.000 -13.320 6.166 249 HA SER 40 HA SER 40 35.100 -13.261 6.736 250 HB2 SER 40 HB2 SER 40 37.192 -15.378 7.417 251 HB3 SER 40 HB3 SER 40 35.455 -15.506 7.723 252 HG SER 40 HG SER 40 35.353 -15.077 5.311 253 H LYS 41 H LYS 41 34.435 -12.453 8.655 254 HA LYS 41 HA LYS 41 36.277 -11.024 10.298 255 HB2 LYS 41 HB2 LYS 41 33.912 -10.276 9.761 256 HB3 LYS 41 HB3 LYS 41 33.320 -11.526 10.854 257 HG2 LYS 41 HG2 LYS 41 34.632 -10.437 12.710 258 HG3 LYS 41 HG3 LYS 41 35.063 -9.144 11.593 259 HD2 LYS 41 HD2 LYS 41 33.223 -8.416 13.012 260 HD3 LYS 41 HD3 LYS 41 32.654 -8.581 11.349 261 HE2 LYS 41 HE2 LYS 41 31.587 -10.718 11.885 262 HE3 LYS 41 HE3 LYS 41 32.245 -10.668 13.523 263 HZ1 LYS 41 HZ1 LYS 41 30.369 -8.683 12.388 264 HZ2 LYS 41 HZ2 LYS 41 30.937 -8.729 13.975 265 HZ3 LYS 41 HZ3 LYS 41 29.925 -9.957 13.407 266 H GLY 42 H GLY 42 35.078 -14.258 10.467 267 HA2 GLY 42 HA2 GLY 42 35.239 -14.882 13.202 268 HA3 GLY 42 HA3 GLY 42 35.538 -16.006 11.886 269 H ALA 43 H ALA 43 37.776 -14.646 10.738 270 HA ALA 43 HA ALA 43 39.961 -15.546 12.385 271 HB1 ALA 43 HB1 ALA 43 39.978 -13.964 9.782 272 HB2 ALA 43 HB2 ALA 43 40.015 -15.725 9.925 273 HB3 ALA 43 HB3 ALA 43 41.370 -14.758 10.513 274 H GLN 44 H GLN 44 38.298 -12.557 11.965 275 HA GLN 44 HA GLN 44 40.330 -10.827 13.111 276 HB2 GLN 44 HB2 GLN 44 38.870 -9.969 11.366 277 HB3 GLN 44 HB3 GLN 44 37.427 -10.397 12.262 278 HG2 GLN 44 HG2 GLN 44 39.321 -8.404 13.469 279 HG3 GLN 44 HG3 GLN 44 38.320 -7.889 12.122 280 HE21 GLN 44 HE21 GLN 44 38.315 -8.854 15.467 281 HE22 GLN 44 HE22 GLN 44 36.666 -8.439 15.782 282 H GLU 45 H GLU 45 37.315 -12.374 14.145 283 HA GLU 45 HA GLU 45 37.046 -11.084 16.666 284 HB2 GLU 45 HB2 GLU 45 35.766 -13.570 15.477 285 HB3 GLU 45 HB3 GLU 45 35.354 -12.992 17.086 286 HG2 GLU 45 HG2 GLU 45 34.992 -11.426 14.514 287 HG3 GLU 45 HG3 GLU 45 33.724 -12.303 15.369 288 H ARG 46 H ARG 46 38.560 -14.083 15.563 289 HA ARG 46 HA ARG 46 39.093 -15.185 18.122 290 HB2 ARG 46 HB2 ARG 46 40.658 -16.691 17.058 291 HB3 ARG 46 HB3 ARG 46 39.224 -16.546 16.053 292 HG2 ARG 46 HG2 ARG 46 40.393 -15.114 14.492 293 HG3 ARG 46 HG3 ARG 46 41.811 -15.064 15.539 294 HD2 ARG 46 HD2 ARG 46 40.720 -17.540 14.157 295 HD3 ARG 46 HD3 ARG 46 42.135 -16.610 13.653 296 HE ARG 46 HE ARG 46 43.104 -17.199 15.893 297 HH11 ARG 46 HH11 ARG 46 40.745 -19.324 14.413 298 HH12 ARG 46 HH12 ARG 46 41.342 -20.730 15.225 299 HH21 ARG 46 HH21 ARG 46 43.830 -19.052 16.976 300 HH22 ARG 46 HH22 ARG 46 43.061 -20.580 16.680 301 H HIS 47 H HIS 47 40.796 -12.748 16.156 302 HA HIS 47 HA HIS 47 43.198 -12.719 17.672 303 HB2 HIS 47 HB2 HIS 47 42.467 -11.375 15.359 304 HB3 HIS 47 HB3 HIS 47 42.410 -10.053 16.516 305 HD2 HIS 47 HD2 HIS 47 44.940 -12.752 15.252 306 HE1 HIS 47 HE1 HIS 47 47.188 -9.568 16.852 307 HE2 HIS 47 HE2 HIS 47 47.268 -11.688 15.498 308 H LEU 48 H LEU 48 40.094 -11.111 18.014 309 HA LEU 48 HA LEU 48 40.812 -9.336 20.108 310 HB2 LEU 48 HB2 LEU 48 38.095 -10.425 19.329 311 HB3 LEU 48 HB3 LEU 48 38.355 -9.100 20.456 312 HG LEU 48 HG LEU 48 38.928 -9.103 17.470 313 HD11 LEU 48 HD11 LEU 48 36.572 -8.804 18.026 314 HD12 LEU 48 HD12 LEU 48 37.252 -7.305 17.396 315 HD13 LEU 48 HD13 LEU 48 36.975 -7.484 19.130 316 HD21 LEU 48 HD21 LEU 48 39.685 -6.756 17.736 317 HD22 LEU 48 HD22 LEU 48 40.747 -7.880 18.572 318 HD23 LEU 48 HD23 LEU 48 39.585 -6.922 19.491 319 H ARG 49 H ARG 49 39.142 -12.516 20.178 320 HA ARG 49 HA ARG 49 38.826 -12.453 23.038 321 HB2 ARG 49 HB2 ARG 49 37.808 -14.658 22.824 322 HB3 ARG 49 HB3 ARG 49 37.179 -13.583 21.582 323 HG2 ARG 49 HG2 ARG 49 38.664 -14.641 19.912 324 HG3 ARG 49 HG3 ARG 49 39.286 -15.725 21.156 325 HD2 ARG 49 HD2 ARG 49 36.999 -16.649 21.464 326 HD3 ARG 49 HD3 ARG 49 36.417 -15.589 20.173 327 HE ARG 49 HE ARG 49 38.518 -17.030 19.094 328 HH11 ARG 49 HH11 ARG 49 35.412 -17.841 20.497 329 HH12 ARG 49 HH12 ARG 49 35.193 -19.239 19.499 330 HH21 ARG 49 HH21 ARG 49 38.210 -18.873 17.782 331 HH22 ARG 49 HH22 ARG 49 36.772 -19.817 17.968 332 H LEU 50 H LEU 50 41.378 -13.524 20.946 333 HA LEU 50 HA LEU 50 42.648 -15.097 23.128 334 HB2 LEU 50 HB2 LEU 50 43.238 -15.192 20.143 335 HB3 LEU 50 HB3 LEU 50 44.037 -16.160 21.373 336 HG LEU 50 HG LEU 50 41.092 -16.354 20.619 337 HD11 LEU 50 HD11 LEU 50 42.528 -17.234 18.846 338 HD12 LEU 50 HD12 LEU 50 41.670 -18.544 19.651 339 HD13 LEU 50 HD13 LEU 50 43.373 -18.260 20.011 340 HD21 LEU 50 HD21 LEU 50 41.405 -16.886 22.996 341 HD22 LEU 50 HD22 LEU 50 42.689 -18.031 22.597 342 HD23 LEU 50 HD23 LEU 50 41.029 -18.348 22.086 343 H LEU 51 H LEU 51 43.908 -13.271 20.306 344 HA LEU 51 HA LEU 51 46.381 -12.825 21.757 345 HB2 LEU 51 HB2 LEU 51 45.640 -12.097 18.900 346 HB3 LEU 51 HB3 LEU 51 47.259 -12.067 19.584 347 HG LEU 51 HG LEU 51 45.552 -14.540 19.078 348 HD11 LEU 51 HD11 LEU 51 46.579 -13.634 17.046 349 HD12 LEU 51 HD12 LEU 51 47.299 -15.181 17.477 350 HD13 LEU 51 HD13 LEU 51 48.171 -13.682 17.809 351 HD21 LEU 51 HD21 LEU 51 48.298 -14.414 20.387 352 HD22 LEU 51 HD22 LEU 51 47.466 -15.888 19.888 353 HD23 LEU 51 HD23 LEU 51 46.785 -14.891 21.169 354 H HIS 52 H HIS 52 43.585 -11.055 21.658 355 HA HIS 52 HA HIS 52 44.889 -8.550 22.328 356 HB2 HIS 52 HB2 HIS 52 43.590 -8.998 19.696 357 HB3 HIS 52 HB3 HIS 52 42.881 -7.621 20.534 358 HD2 HIS 52 HD2 HIS 52 46.093 -7.135 21.852 359 HE1 HIS 52 HE1 HIS 52 46.510 -5.504 18.038 360 HE2 HIS 52 HE2 HIS 52 47.518 -5.715 20.290 361 H ALA 53 H ALA 53 43.442 -10.452 23.828 362 HA ALA 53 HA ALA 53 40.842 -9.349 24.492 363 HB1 ALA 53 HB1 ALA 53 41.248 -11.781 24.668 364 HB2 ALA 53 HB2 ALA 53 40.782 -11.101 26.226 365 HB3 ALA 53 HB3 ALA 53 42.473 -11.501 25.908 366 H ALA 54 H ALA 54 41.688 -7.176 24.858 367 HA ALA 54 HA ALA 54 42.509 -6.627 27.613 368 HB1 ALA 54 HB1 ALA 54 44.410 -5.203 26.935 369 HB2 ALA 54 HB2 ALA 54 44.153 -5.636 25.245 370 HB3 ALA 54 HB3 ALA 54 44.663 -6.865 26.401 371 H GLN 55 H GLN 55 41.921 -5.168 24.406 372 HA GLN 55 HA GLN 55 40.618 -2.819 25.538 373 HB2 GLN 55 HB2 GLN 55 41.085 -3.715 22.666 374 HB3 GLN 55 HB3 GLN 55 40.275 -2.211 23.095 375 HG2 GLN 55 HG2 GLN 55 43.127 -2.915 23.864 376 HG3 GLN 55 HG3 GLN 55 42.673 -1.920 22.479 377 HE21 GLN 55 HE21 GLN 55 42.885 -2.053 25.970 378 HE22 GLN 55 HE22 GLN 55 42.656 -0.362 26.241 379 H VAL 56 H VAL 56 39.714 -5.917 24.201 380 HA VAL 56 HA VAL 56 36.902 -5.189 23.902 381 HB VAL 56 HB VAL 56 36.558 -7.480 23.077 382 HG11 VAL 56 HG11 VAL 56 38.980 -6.151 21.809 383 HG12 VAL 56 HG12 VAL 56 37.292 -5.760 21.486 384 HG13 VAL 56 HG13 VAL 56 37.931 -7.336 21.026 385 HG21 VAL 56 HG21 VAL 56 38.452 -9.076 22.794 386 HG22 VAL 56 HG22 VAL 56 38.156 -8.730 24.497 387 HG23 VAL 56 HG23 VAL 56 39.517 -7.970 23.669 388 H PHE 57 H PHE 57 35.267 -5.942 25.187 389 HA PHE 57 HA PHE 57 35.902 -7.336 27.717 390 HB2 PHE 57 HB2 PHE 57 33.924 -5.037 27.362 391 HB3 PHE 57 HB3 PHE 57 34.287 -5.877 28.864 392 HD1 PHE 57 HD2 PHE 57 36.601 -5.619 29.894 393 HD2 PHE 57 HD1 PHE 57 35.268 -3.189 26.633 394 HE1 PHE 57 HE2 PHE 57 38.362 -3.970 30.392 395 HE2 PHE 57 HE1 PHE 57 37.034 -1.558 27.134 396 HZ PHE 57 HZ PHE 57 38.579 -1.939 29.012 397 HA PRO 58 HA PRO 58 32.470 -9.661 25.559 398 HB2 PRO 58 HB2 PRO 58 33.370 -12.184 26.082 399 HB3 PRO 58 HB3 PRO 58 33.982 -11.226 24.726 400 HG2 PRO 58 HG2 PRO 58 35.213 -11.662 27.447 401 HG3 PRO 58 HG3 PRO 58 35.987 -11.695 25.848 402 HD2 PRO 58 HD2 PRO 58 36.100 -9.514 27.511 403 HD3 PRO 58 HD3 PRO 58 36.147 -9.377 25.738 404 H CYS 59 H CYS 59 30.609 -9.837 26.671 405 HA CYS 59 HA CYS 59 30.237 -9.724 29.427 406 HB2 CYS 59 HB2 CYS 59 28.426 -9.210 27.888 407 HB3 CYS 59 HB3 CYS 59 28.433 -10.847 27.248 408 H LYS 60 H LYS 60 31.018 -11.147 30.888 409 HA LYS 60 HA LYS 60 32.577 -13.259 30.176 410 HB2 LYS 60 HB2 LYS 60 32.669 -13.853 32.615 411 HB3 LYS 60 HB3 LYS 60 32.905 -12.144 32.266 412 HG2 LYS 60 HG2 LYS 60 30.579 -11.667 32.935 413 HG3 LYS 60 HG3 LYS 60 30.310 -13.380 33.256 414 HD2 LYS 60 HD2 LYS 60 30.716 -12.139 35.344 415 HD3 LYS 60 HD3 LYS 60 31.979 -13.335 35.054 416 HE2 LYS 60 HE2 LYS 60 33.465 -11.554 34.202 417 HE3 LYS 60 HE3 LYS 60 32.199 -10.361 34.499 418 HZ1 LYS 60 HZ1 LYS 60 33.870 -10.449 36.251 419 HZ2 LYS 60 HZ2 LYS 60 33.456 -12.052 36.573 420 HZ3 LYS 60 HZ3 LYS 60 32.330 -10.828 36.828 421 H TYR 61 H TYR 61 29.163 -13.569 30.920 422 HA TYR 61 HA TYR 61 29.248 -16.455 31.269 423 HB2 TYR 61 HB2 TYR 61 26.836 -14.614 31.055 424 HB3 TYR 61 HB3 TYR 61 26.841 -16.262 31.675 425 HD1 TYR 61 HD2 TYR 61 28.456 -16.667 33.761 426 HD2 TYR 61 HD1 TYR 61 26.955 -12.826 32.606 427 HE1 TYR 61 HE2 TYR 61 28.910 -15.806 36.008 428 HE2 TYR 61 HE1 TYR 61 27.419 -11.977 34.865 429 HH TYR 61 HH TYR 61 27.748 -12.812 37.113 430 H CYS 62 H CYS 62 28.307 -14.165 28.682 431 HA CYS 62 HA CYS 62 27.857 -16.456 26.835 432 HB2 CYS 62 HB2 CYS 62 26.090 -15.283 25.706 433 HB3 CYS 62 HB3 CYS 62 25.725 -15.161 27.420 434 HA PRO 63 HA PRO 63 31.339 -14.823 24.580 435 HB2 PRO 63 HB2 PRO 63 30.855 -15.765 22.014 436 HB3 PRO 63 HB3 PRO 63 31.377 -16.793 23.359 437 HG2 PRO 63 HG2 PRO 63 28.579 -16.309 22.326 438 HG3 PRO 63 HG3 PRO 63 29.368 -17.854 22.722 439 HD2 PRO 63 HD2 PRO 63 27.663 -16.687 24.445 440 HD3 PRO 63 HD3 PRO 63 29.111 -17.528 25.038 441 H ALA 64 H ALA 64 28.371 -13.316 24.121 442 HA ALA 64 HA ALA 64 28.717 -11.530 22.026 443 HB1 ALA 64 HB1 ALA 64 26.637 -11.672 23.349 444 HB2 ALA 64 HB2 ALA 64 27.214 -10.006 23.283 445 HB3 ALA 64 HB3 ALA 64 27.457 -10.969 24.743 446 H THR 65 H THR 65 30.604 -10.518 21.643 447 HA THR 65 HA THR 65 32.334 -9.575 23.793 448 HB THR 65 HB THR 65 32.868 -9.697 20.790 449 HG1 THR 65 HG1 THR 65 32.532 -11.713 22.128 450 HG21 THR 65 HG21 THR 65 34.769 -9.281 23.133 451 HG22 THR 65 HG22 THR 65 34.350 -8.068 21.916 452 HG23 THR 65 HG23 THR 65 35.249 -9.515 21.454 453 H PHE 66 H PHE 66 32.178 -7.568 24.489 454 HA PHE 66 HA PHE 66 31.129 -5.378 22.803 455 HB2 PHE 66 HB2 PHE 66 31.519 -5.564 25.833 456 HB3 PHE 66 HB3 PHE 66 30.888 -4.150 24.981 457 HD1 PHE 66 HD1 PHE 66 28.675 -4.262 23.812 458 HD2 PHE 66 HD2 PHE 66 30.083 -7.515 26.223 459 HE1 PHE 66 HE1 PHE 66 26.404 -5.210 23.871 460 HE2 PHE 66 HE2 PHE 66 27.802 -8.440 26.280 461 HZ PHE 66 HZ PHE 66 25.968 -7.296 25.105 462 H TYR 67 H TYR 67 32.205 -3.209 23.284 463 HA TYR 67 HA TYR 67 35.165 -3.432 23.369 464 HB2 TYR 67 HB2 TYR 67 33.509 -1.592 21.559 465 HB3 TYR 67 HB3 TYR 67 35.268 -1.733 21.575 466 HD1 TYR 67 HD2 TYR 67 36.318 -3.982 20.888 467 HD2 TYR 67 HD1 TYR 67 32.179 -3.119 20.204 468 HE1 TYR 67 HE2 TYR 67 36.199 -5.805 19.255 469 HE2 TYR 67 HE1 TYR 67 32.074 -4.970 18.584 470 HH TYR 67 HH TYR 67 34.490 -7.322 18.281 471 H SER 68 H SER 68 32.869 -2.614 25.294 472 HA SER 68 HA SER 68 34.255 -0.326 26.467 473 HB2 SER 68 HB2 SER 68 31.251 -0.282 25.882 474 HB3 SER 68 HB3 SER 68 32.126 0.935 26.816 475 HG SER 68 HG SER 68 33.462 0.864 24.661 476 H SER 69 H SER 69 34.084 -0.288 28.691 477 HA SER 69 HA SER 69 33.448 -2.625 30.107 478 HB2 SER 69 HB2 SER 69 33.877 0.189 31.178 479 HB3 SER 69 HB3 SER 69 33.924 -1.291 32.137 480 HG SER 69 HG SER 69 35.675 -1.970 30.768 481 HA PRO 70 HA PRO 70 29.205 -0.464 31.414 482 HB2 PRO 70 HB2 PRO 70 28.196 1.333 29.556 483 HB3 PRO 70 HB3 PRO 70 29.038 1.803 31.039 484 HG2 PRO 70 HG2 PRO 70 30.148 1.522 28.242 485 HG3 PRO 70 HG3 PRO 70 30.394 2.842 29.410 486 HD2 PRO 70 HD2 PRO 70 32.268 0.961 29.068 487 HD3 PRO 70 HD3 PRO 70 31.908 1.579 30.692 488 H GLY 71 H GLY 71 30.219 -1.069 28.084 489 HA2 GLY 71 HA2 GLY 71 27.836 -2.264 27.088 490 HA3 GLY 71 HA3 GLY 71 29.458 -2.512 26.463 491 H LEU 72 H LEU 72 30.724 -3.596 28.603 492 HA LEU 72 HA LEU 72 30.156 -6.339 28.633 493 HB2 LEU 72 HB2 LEU 72 32.355 -5.444 29.134 494 HB3 LEU 72 HB3 LEU 72 31.724 -4.521 30.483 495 HG LEU 72 HG LEU 72 31.363 -6.613 31.767 496 HD11 LEU 72 HD11 LEU 72 30.960 -8.158 29.935 497 HD12 LEU 72 HD12 LEU 72 32.237 -8.757 30.986 498 HD13 LEU 72 HD13 LEU 72 32.648 -8.035 29.426 499 HD21 LEU 72 HD21 LEU 72 33.477 -5.423 32.038 500 HD22 LEU 72 HD22 LEU 72 34.186 -6.325 30.696 501 HD23 LEU 72 HD23 LEU 72 33.727 -7.160 32.185 502 H THR 73 H THR 73 29.522 -3.817 31.029 503 HA THR 73 HA THR 73 28.397 -5.431 33.051 504 HB THR 73 HB THR 73 28.053 -2.436 32.573 505 HG1 THR 73 HG1 THR 73 30.231 -3.909 33.240 506 HG21 THR 73 HG21 THR 73 26.489 -3.278 34.292 507 HG22 THR 73 HG22 THR 73 27.732 -2.257 35.019 508 HG23 THR 73 HG23 THR 73 27.830 -4.015 35.171 509 H ARG 74 H ARG 74 26.913 -3.449 30.449 510 HA ARG 74 HA ARG 74 24.343 -3.347 31.539 511 HB2 ARG 74 HB2 ARG 74 23.600 -2.391 29.457 512 HB3 ARG 74 HB3 ARG 74 25.183 -1.745 29.848 513 HG2 ARG 74 HG2 ARG 74 26.237 -3.185 28.207 514 HG3 ARG 74 HG3 ARG 74 24.699 -3.970 27.844 515 HD2 ARG 74 HD2 ARG 74 25.325 -2.299 26.141 516 HD3 ARG 74 HD3 ARG 74 23.814 -1.874 26.950 517 HE ARG 74 HE ARG 74 26.430 -0.644 27.644 518 HH11 ARG 74 HH11 ARG 74 22.995 -0.308 27.048 519 HH12 ARG 74 HH12 ARG 74 22.982 1.399 27.328 520 HH21 ARG 74 HH21 ARG 74 26.377 1.600 28.031 521 HH22 ARG 74 HH22 ARG 74 24.887 2.470 27.899 522 H HIS 75 H HIS 75 25.830 -5.841 29.474 523 HA HIS 75 HA HIS 75 23.358 -6.909 28.537 524 HB2 HIS 75 HB2 HIS 75 25.776 -7.505 27.653 525 HB3 HIS 75 HB3 HIS 75 25.754 -8.756 28.895 526 HD2 HIS 75 HD2 HIS 75 23.553 -7.634 25.840 527 HE1 HIS 75 HE1 HIS 75 22.814 -11.722 26.486 528 HE2 HIS 75 HE2 HIS 75 22.450 -9.773 24.949 529 H ILE 76 H ILE 76 25.311 -7.463 31.381 530 HA ILE 76 HA ILE 76 24.016 -9.796 32.360 531 HB ILE 76 HB ILE 76 25.661 -7.720 33.877 532 HG12 ILE 76 HG12 ILE 76 26.622 -10.267 32.457 533 HG13 ILE 76 HG13 ILE 76 26.882 -8.627 31.883 534 HG21 ILE 76 HG21 ILE 76 26.167 -9.544 35.475 535 HG22 ILE 76 HG22 ILE 76 25.093 -10.630 34.591 536 HG23 ILE 76 HG23 ILE 76 24.437 -9.211 35.411 537 HD11 ILE 76 HD11 ILE 76 28.288 -8.172 33.849 538 HD12 ILE 76 HD12 ILE 76 28.887 -9.518 32.882 539 HD13 ILE 76 HD13 ILE 76 28.041 -9.834 34.396 540 H ASN 77 H ASN 77 23.469 -6.327 32.837 541 HA ASN 77 HA ASN 77 21.489 -6.713 34.942 542 HB2 ASN 77 HB2 ASN 77 22.401 -4.184 33.498 543 HB3 ASN 77 HB3 ASN 77 21.246 -4.208 34.831 544 HD21 ASN 77 HD21 ASN 77 24.589 -4.611 33.940 545 HD22 ASN 77 HD22 ASN 77 25.226 -4.610 35.543 546 H LYS 78 H LYS 78 21.495 -6.114 31.482 547 HA LYS 78 HA LYS 78 18.693 -5.254 31.415 548 HB2 LYS 78 HB2 LYS 78 20.352 -3.945 30.147 549 HB3 LYS 78 HB3 LYS 78 20.803 -5.379 29.233 550 HG2 LYS 78 HG2 LYS 78 18.425 -5.451 28.358 551 HG3 LYS 78 HG3 LYS 78 18.175 -3.876 29.115 552 HD2 LYS 78 HD2 LYS 78 20.010 -2.930 27.734 553 HD3 LYS 78 HD3 LYS 78 20.245 -4.507 26.975 554 HE2 LYS 78 HE2 LYS 78 17.736 -2.810 26.799 555 HE3 LYS 78 HE3 LYS 78 18.945 -3.008 25.530 556 HZ1 LYS 78 HZ1 LYS 78 17.063 -4.417 25.127 557 HZ2 LYS 78 HZ2 LYS 78 17.212 -5.138 26.645 558 HZ3 LYS 78 HZ3 LYS 78 18.410 -5.380 25.478 559 H CYS 79 H CYS 79 20.744 -7.681 29.724 560 HA CYS 79 HA CYS 79 18.338 -9.262 29.041 561 HB2 CYS 79 HB2 CYS 79 20.586 -8.441 27.159 562 HB3 CYS 79 HB3 CYS 79 19.316 -9.603 26.754 563 HG CYS 79 HG CYS 79 17.251 -7.666 27.151 564 H HIS 80 H HIS 80 20.621 -9.580 31.040 565 HA HIS 80 HA HIS 80 20.841 -12.459 30.613 566 HB2 HIS 80 HB2 HIS 80 22.944 -11.106 29.648 567 HB3 HIS 80 HB3 HIS 80 23.422 -11.029 31.338 568 HD2 HIS 80 HD2 HIS 80 22.261 -14.302 31.684 569 HE1 HIS 80 HE1 HIS 80 25.626 -14.954 29.257 570 HE2 HIS 80 HE2 HIS 80 23.741 -16.050 30.504 571 HA PRO 81 HA PRO 81 20.308 -10.970 35.119 572 HB2 PRO 81 HB2 PRO 81 17.696 -11.593 35.588 573 HB3 PRO 81 HB3 PRO 81 18.177 -10.044 34.876 574 HG2 PRO 81 HG2 PRO 81 17.147 -12.524 33.495 575 HG3 PRO 81 HG3 PRO 81 16.682 -10.827 33.235 576 HD2 PRO 81 HD2 PRO 81 18.458 -12.146 31.619 577 HD3 PRO 81 HD3 PRO 81 18.542 -10.395 31.908 578 H SER 82 H SER 82 19.097 -13.828 33.395 579 HA SER 82 HA SER 82 19.720 -15.686 35.546 580 HB2 SER 82 HB2 SER 82 18.966 -16.217 32.628 581 HB3 SER 82 HB3 SER 82 18.997 -17.414 33.925 582 HG SER 82 HG SER 82 17.458 -15.657 34.900 583 H GLU 83 H GLU 83 21.894 -15.060 35.844 584 HA GLU 83 HA GLU 83 23.816 -14.779 33.775 585 HB2 GLU 83 HB2 GLU 83 24.127 -15.006 36.796 586 HB3 GLU 83 HB3 GLU 83 25.436 -14.560 35.700 587 HG2 GLU 83 HG2 GLU 83 24.279 -12.534 35.036 588 HG3 GLU 83 HG3 GLU 83 22.845 -12.995 35.955 589 H ASN 84 H ASN 84 23.817 -16.687 32.602 590 HA ASN 84 HA ASN 84 24.558 -18.663 31.840 591 HB2 ASN 84 HB2 ASN 84 26.781 -17.843 32.556 592 HB3 ASN 84 HB3 ASN 84 26.534 -18.540 34.152 593 HD21 ASN 84 HD21 ASN 84 28.414 -19.797 33.901 594 HD22 ASN 84 HD22 ASN 84 28.463 -21.192 32.889 595 H ARG 85 H ARG 85 22.831 -20.015 32.061 596 HA ARG 85 HA ARG 85 22.645 -21.652 34.533 597 HB2 ARG 85 HB2 ARG 85 20.612 -20.248 34.010 598 HB3 ARG 85 HB3 ARG 85 20.406 -21.153 32.510 599 HG2 ARG 85 HG2 ARG 85 20.071 -23.233 33.777 600 HG3 ARG 85 HG3 ARG 85 20.374 -22.381 35.294 601 HD2 ARG 85 HD2 ARG 85 18.352 -20.975 34.849 602 HD3 ARG 85 HD3 ARG 85 18.035 -21.949 33.406 603 HE ARG 85 HE ARG 85 18.330 -23.528 35.778 604 HH11 ARG 85 HH11 ARG 85 15.972 -21.691 33.940 605 HH12 ARG 85 HH12 ARG 85 14.620 -22.497 34.666 606 HH21 ARG 85 HH21 ARG 85 16.573 -24.550 36.722 607 HH22 ARG 85 HH22 ARG 85 14.955 -24.116 36.261 Start of MODEL 13 1 H1 MET 1 H1 MET 1 7.176 -15.447 45.637 2 H2 MET 1 H2 MET 1 8.174 -16.201 44.507 3 H3 MET 1 H3 MET 1 6.688 -16.891 44.913 4 HA MET 1 HA MET 1 6.587 -15.836 42.774 5 HB2 MET 1 HB2 MET 1 4.989 -14.353 44.919 6 HB3 MET 1 HB3 MET 1 4.611 -14.351 43.199 7 HG2 MET 1 HG2 MET 1 4.292 -16.834 43.320 8 HG3 MET 1 HG3 MET 1 4.520 -16.737 45.066 9 HE1 MET 1 HE1 MET 1 2.602 -14.203 42.656 10 HE2 MET 1 HE2 MET 1 0.965 -14.840 42.788 11 HE3 MET 1 HE3 MET 1 2.224 -15.805 42.016 12 H GLY 2 H GLY 2 7.779 -14.512 41.564 13 HA2 GLY 2 HA2 GLY 2 8.778 -12.605 40.761 14 HA3 GLY 2 HA3 GLY 2 8.087 -11.706 42.105 15 H HIS 3 H HIS 3 10.079 -14.531 42.661 16 HA HIS 3 HA HIS 3 11.912 -13.073 44.325 17 HB2 HIS 3 HB2 HIS 3 11.173 -15.445 44.775 18 HB3 HIS 3 HB3 HIS 3 12.108 -15.975 43.385 19 HD1 HIS 3 HD1 HIS 3 13.712 -17.430 44.729 20 HD2 HIS 3 HD2 HIS 3 13.623 -13.495 46.063 21 HE1 HIS 3 HE1 HIS 3 15.568 -17.241 46.404 22 HE2 HIS 3 HE2 HIS 3 15.384 -14.906 47.311 23 H HIS 4 H HIS 4 12.927 -11.589 43.029 24 HA HIS 4 HA HIS 4 14.859 -12.567 40.989 25 HB2 HIS 4 HB2 HIS 4 13.649 -9.774 41.293 26 HB3 HIS 4 HB3 HIS 4 14.787 -10.272 40.046 27 HD1 HIS 4 HD1 HIS 4 11.254 -9.900 40.676 28 HD2 HIS 4 HD2 HIS 4 13.586 -12.371 38.281 29 HE1 HIS 4 HE1 HIS 4 9.702 -10.807 38.929 30 HE2 HIS 4 HE2 HIS 4 11.172 -12.152 37.390 31 H HIS 5 H HIS 5 16.814 -11.002 40.884 32 HA HIS 5 HA HIS 5 17.603 -9.735 43.362 33 HB2 HIS 5 HB2 HIS 5 19.659 -11.127 43.693 34 HB3 HIS 5 HB3 HIS 5 18.178 -12.033 43.954 35 HD1 HIS 5 HD1 HIS 5 17.520 -13.798 42.068 36 HD2 HIS 5 HD2 HIS 5 21.332 -12.161 41.725 37 HE1 HIS 5 HE1 HIS 5 18.750 -15.266 40.450 38 HE2 HIS 5 HE2 HIS 5 21.024 -14.216 40.205 39 H HIS 6 H HIS 6 18.956 -8.107 42.985 40 HA HIS 6 HA HIS 6 20.650 -8.066 40.562 41 HB2 HIS 6 HB2 HIS 6 18.720 -6.521 40.218 42 HB3 HIS 6 HB3 HIS 6 19.106 -5.693 41.724 43 HD1 HIS 6 HD1 HIS 6 21.129 -4.091 41.712 44 HD2 HIS 6 HD2 HIS 6 20.412 -5.867 38.032 45 HE1 HIS 6 HE1 HIS 6 22.546 -2.831 40.079 46 HE2 HIS 6 HE2 HIS 6 21.916 -3.785 37.842 47 H HIS 7 H HIS 7 22.126 -9.037 42.113 48 HA HIS 7 HA HIS 7 23.751 -7.027 43.481 49 HB2 HIS 7 HB2 HIS 7 22.606 -9.451 44.952 50 HB3 HIS 7 HB3 HIS 7 24.031 -8.590 45.517 51 HD1 HIS 7 HD1 HIS 7 23.545 -5.873 45.881 52 HD2 HIS 7 HD2 HIS 7 20.292 -8.457 46.016 53 HE1 HIS 7 HE1 HIS 7 21.730 -4.610 47.064 54 HE2 HIS 7 HE2 HIS 7 19.854 -6.266 47.313 55 H HIS 8 H HIS 8 24.512 -7.837 41.222 56 HA HIS 8 HA HIS 8 26.904 -9.386 41.791 57 HB2 HIS 8 HB2 HIS 8 25.245 -11.097 40.960 58 HB3 HIS 8 HB3 HIS 8 25.104 -10.193 39.456 59 HD1 HIS 8 HD1 HIS 8 26.729 -10.848 37.650 60 HD2 HIS 8 HD2 HIS 8 27.986 -12.100 41.410 61 HE1 HIS 8 HE1 HIS 8 28.763 -12.241 37.256 62 HE2 HIS 8 HE2 HIS 8 29.373 -13.157 39.514 63 H SER 9 H SER 9 27.643 -7.205 41.667 64 HA SER 9 HA SER 9 27.777 -5.922 39.027 65 HB2 SER 9 HB2 SER 9 28.855 -4.049 40.373 66 HB3 SER 9 HB3 SER 9 27.204 -4.442 40.848 67 HG SER 9 HG SER 9 29.622 -5.097 42.164 68 H HIS 10 H HIS 10 29.037 -7.910 38.391 69 HA HIS 10 HA HIS 10 31.842 -7.989 39.273 70 HB2 HIS 10 HB2 HIS 10 30.581 -10.114 39.215 71 HB3 HIS 10 HB3 HIS 10 30.240 -9.889 37.505 72 HD1 HIS 10 HD1 HIS 10 32.292 -10.123 35.859 73 HD2 HIS 10 HD2 HIS 10 33.037 -11.280 39.769 74 HE1 HIS 10 HE1 HIS 10 34.407 -11.448 35.767 75 HE2 HIS 10 HE2 HIS 10 34.907 -12.034 38.162 76 H MET 11 H MET 11 32.745 -6.219 38.272 77 HA MET 11 HA MET 11 32.960 -6.270 35.304 78 HB2 MET 11 HB2 MET 11 33.542 -3.882 35.412 79 HB3 MET 11 HB3 MET 11 31.988 -4.144 36.190 80 HG2 MET 11 HG2 MET 11 33.036 -3.969 38.398 81 HG3 MET 11 HG3 MET 11 34.624 -3.794 37.652 82 HE1 MET 11 HE1 MET 11 34.328 -0.259 35.945 83 HE2 MET 11 HE2 MET 11 34.043 -1.826 35.189 84 HE3 MET 11 HE3 MET 11 35.400 -1.615 36.296 85 H GLY 12 H GLY 12 35.219 -5.147 34.724 86 HA2 GLY 12 HA2 GLY 12 37.409 -5.806 36.526 87 HA3 GLY 12 HA3 GLY 12 37.309 -6.809 35.080 88 H ASP 13 H ASP 13 38.675 -4.048 36.335 89 HA ASP 13 HA ASP 13 38.855 -2.496 33.890 90 HB2 ASP 13 HB2 ASP 13 40.379 -1.043 35.155 91 HB3 ASP 13 HB3 ASP 13 38.941 -1.388 36.107 92 H GLY 14 H GLY 14 41.152 -1.899 33.115 93 HA2 GLY 14 HA2 GLY 14 43.383 -3.562 33.460 94 HA3 GLY 14 HA3 GLY 14 42.468 -4.183 32.086 95 H GLU 15 H GLU 15 45.039 -3.279 31.785 96 HA GLU 15 HA GLU 15 44.694 -1.101 29.867 97 HB2 GLU 15 HB2 GLU 15 45.416 -0.180 32.216 98 HB3 GLU 15 HB3 GLU 15 46.967 -0.945 31.907 99 HG2 GLU 15 HG2 GLU 15 45.709 1.191 30.147 100 HG3 GLU 15 HG3 GLU 15 46.879 1.516 31.419 101 H GLY 16 H GLY 16 45.409 -2.065 28.054 102 HA2 GLY 16 HA2 GLY 16 47.947 -3.544 27.999 103 HA3 GLY 16 HA3 GLY 16 46.492 -4.449 27.603 104 H ALA 17 H ALA 17 48.460 -1.674 26.685 105 HA ALA 17 HA ALA 17 47.557 -1.911 23.868 106 HB1 ALA 17 HB1 ALA 17 48.338 0.419 23.609 107 HB2 ALA 17 HB2 ALA 17 48.827 0.452 25.303 108 HB3 ALA 17 HB3 ALA 17 47.118 0.300 24.883 109 H GLY 18 H GLY 18 49.708 -0.623 22.653 110 HA2 GLY 18 HA2 GLY 18 52.147 -0.730 22.525 111 HA3 GLY 18 HA3 GLY 18 52.070 -2.339 23.229 112 H VAL 19 H VAL 19 49.854 -1.196 20.741 113 HA VAL 19 HA VAL 19 50.732 -3.326 18.913 114 HB VAL 19 HB VAL 19 48.614 -2.926 17.712 115 HG11 VAL 19 HG11 VAL 19 47.047 -3.656 19.464 116 HG12 VAL 19 HG12 VAL 19 48.178 -3.140 20.716 117 HG13 VAL 19 HG13 VAL 19 48.602 -4.470 19.637 118 HG21 VAL 19 HG21 VAL 19 46.929 -1.287 18.562 119 HG22 VAL 19 HG22 VAL 19 48.394 -0.483 17.998 120 HG23 VAL 19 HG23 VAL 19 48.112 -0.682 19.728 121 H LEU 20 H LEU 20 50.594 -2.730 16.506 122 HA LEU 20 HA LEU 20 51.924 -0.125 15.986 123 HB2 LEU 20 HB2 LEU 20 52.706 -2.854 14.868 124 HB3 LEU 20 HB3 LEU 20 53.439 -1.324 14.405 125 HG LEU 20 HG LEU 20 53.565 -2.523 17.206 126 HD11 LEU 20 HD11 LEU 20 54.864 -3.892 15.655 127 HD12 LEU 20 HD12 LEU 20 55.923 -3.013 16.753 128 HD13 LEU 20 HD13 LEU 20 55.733 -2.463 15.087 129 HD21 LEU 20 HD21 LEU 20 54.985 -0.085 16.068 130 HD22 LEU 20 HD22 LEU 20 55.247 -0.777 17.670 131 HD23 LEU 20 HD23 LEU 20 53.684 -0.075 17.264 132 H GLY 21 H GLY 21 50.134 0.838 15.074 133 HA2 GLY 21 HA2 GLY 21 48.995 -0.307 12.578 134 HA3 GLY 21 HA3 GLY 21 48.262 0.954 13.569 135 H LEU 22 H LEU 22 50.780 0.229 11.249 136 HA LEU 22 HA LEU 22 52.046 2.811 11.284 137 HB2 LEU 22 HB2 LEU 22 52.323 0.513 9.312 138 HB3 LEU 22 HB3 LEU 22 53.285 1.979 9.259 139 HG LEU 22 HG LEU 22 54.144 1.360 11.605 140 HD11 LEU 22 HD11 LEU 22 52.426 -0.270 12.234 141 HD12 LEU 22 HD12 LEU 22 54.034 -0.985 12.290 142 HD13 LEU 22 HD13 LEU 22 52.955 -1.350 10.940 143 HD21 LEU 22 HD21 LEU 22 55.835 -0.197 10.736 144 HD22 LEU 22 HD22 LEU 22 55.528 1.110 9.598 145 HD23 LEU 22 HD23 LEU 22 54.849 -0.492 9.300 146 H SER 23 H SER 23 49.486 1.338 9.429 147 HA SER 23 HA SER 23 48.824 3.877 8.159 148 HB2 SER 23 HB2 SER 23 48.651 2.733 5.876 149 HB3 SER 23 HB3 SER 23 50.297 2.991 6.457 150 HG SER 23 HG SER 23 50.545 0.888 6.791 151 H ALA 24 H ALA 24 48.055 0.387 8.164 152 HA ALA 24 HA ALA 24 46.165 -0.822 8.451 153 HB1 ALA 24 HB1 ALA 24 45.302 1.546 10.158 154 HB2 ALA 24 HB2 ALA 24 46.299 0.197 10.699 155 HB3 ALA 24 HB3 ALA 24 44.623 -0.084 10.231 156 H SER 25 H SER 25 46.289 0.747 6.096 157 HA SER 25 HA SER 25 43.564 1.755 5.575 158 HB2 SER 25 HB2 SER 25 46.104 2.043 3.909 159 HB3 SER 25 HB3 SER 25 44.576 2.901 3.664 160 HG SER 25 HG SER 25 44.928 4.049 5.499 161 H ALA 26 H ALA 26 44.780 -1.184 5.530 162 HA ALA 26 HA ALA 26 44.461 -2.153 2.869 163 HB1 ALA 26 HB1 ALA 26 44.469 -4.397 3.897 164 HB2 ALA 26 HB2 ALA 26 44.287 -3.675 5.498 165 HB3 ALA 26 HB3 ALA 26 45.757 -3.389 4.565 166 H GLU 27 H GLU 27 42.670 -2.977 1.825 167 HA GLU 27 HA GLU 27 40.044 -2.286 2.827 168 HB2 GLU 27 HB2 GLU 27 40.698 -1.886 0.459 169 HB3 GLU 27 HB3 GLU 27 40.883 -3.613 0.208 170 HG2 GLU 27 HG2 GLU 27 38.762 -2.735 -0.728 171 HG3 GLU 27 HG3 GLU 27 38.503 -3.986 0.486 172 H CYS 28 H CYS 28 40.262 -3.725 4.658 173 HA CYS 28 HA CYS 28 38.773 -6.162 4.366 174 HB2 CYS 28 HB2 CYS 28 41.649 -6.310 5.394 175 HB3 CYS 28 HB3 CYS 28 40.457 -7.584 5.620 176 HG CYS 28 HG CYS 28 41.754 -6.554 2.633 177 H HIS 29 H HIS 29 38.212 -7.017 6.525 178 HA HIS 29 HA HIS 29 37.774 -5.018 8.546 179 HB2 HIS 29 HB2 HIS 29 37.442 -8.046 8.822 180 HB3 HIS 29 HB3 HIS 29 36.672 -6.797 9.799 181 HD1 HIS 29 HD1 HIS 29 36.211 -8.814 6.782 182 HD2 HIS 29 HD2 HIS 29 34.683 -5.250 8.284 183 HE1 HIS 29 HE1 HIS 29 34.145 -8.347 5.441 184 HE2 HIS 29 HE2 HIS 29 33.373 -6.087 6.221 185 H LEU 30 H LEU 30 39.372 -4.367 9.888 186 HA LEU 30 HA LEU 30 41.680 -6.117 10.452 187 HB2 LEU 30 HB2 LEU 30 41.346 -3.176 11.147 188 HB3 LEU 30 HB3 LEU 30 42.836 -4.110 11.177 189 HG LEU 30 HG LEU 30 41.283 -3.270 8.693 190 HD11 LEU 30 HD11 LEU 30 43.986 -2.345 9.708 191 HD12 LEU 30 HD12 LEU 30 42.485 -1.419 9.745 192 HD13 LEU 30 HD13 LEU 30 43.212 -1.846 8.200 193 HD21 LEU 30 HD21 LEU 30 43.873 -4.849 8.841 194 HD22 LEU 30 HD22 LEU 30 43.135 -4.206 7.369 195 HD23 LEU 30 HD23 LEU 30 42.305 -5.453 8.294 196 H CYS 31 H CYS 31 41.860 -7.088 12.411 197 HA CYS 31 HA CYS 31 39.969 -7.106 14.466 198 HB2 CYS 31 HB2 CYS 31 41.470 -8.912 14.461 199 HB3 CYS 31 HB3 CYS 31 42.874 -7.881 14.295 200 HA PRO 32 HA PRO 32 39.979 -2.680 14.971 201 HB2 PRO 32 HB2 PRO 32 39.472 -3.484 17.855 202 HB3 PRO 32 HB3 PRO 32 38.770 -2.134 16.941 203 HG2 PRO 32 HG2 PRO 32 37.462 -4.480 17.191 204 HG3 PRO 32 HG3 PRO 32 37.384 -3.538 15.686 205 HD2 PRO 32 HD2 PRO 32 38.714 -6.131 16.182 206 HD3 PRO 32 HD3 PRO 32 38.336 -5.351 14.633 207 H VAL 33 H VAL 33 41.688 -4.292 17.645 208 HA VAL 33 HA VAL 33 43.218 -1.989 18.377 209 HB VAL 33 HB VAL 33 43.820 -4.860 19.195 210 HG11 VAL 33 HG11 VAL 33 45.504 -3.188 19.849 211 HG12 VAL 33 HG12 VAL 33 44.676 -3.828 21.266 212 HG13 VAL 33 HG13 VAL 33 44.265 -2.224 20.655 213 HG21 VAL 33 HG21 VAL 33 41.733 -3.019 20.433 214 HG22 VAL 33 HG22 VAL 33 42.249 -4.575 21.092 215 HG23 VAL 33 HG23 VAL 33 41.415 -4.507 19.539 216 H CYS 34 H CYS 34 44.087 -5.094 16.705 217 HA CYS 34 HA CYS 34 46.667 -3.890 15.873 218 HB2 CYS 34 HB2 CYS 34 47.607 -6.052 15.654 219 HB3 CYS 34 HB3 CYS 34 46.654 -6.150 17.127 220 H GLY 35 H GLY 35 47.029 -3.463 13.756 221 HA2 GLY 35 HA2 GLY 35 45.063 -3.761 11.711 222 HA3 GLY 35 HA3 GLY 35 46.751 -3.305 11.488 223 H GLU 36 H GLU 36 44.481 -5.728 11.010 224 HA GLU 36 HA GLU 36 46.420 -7.541 9.839 225 HB2 GLU 36 HB2 GLU 36 45.912 -8.111 12.460 226 HB3 GLU 36 HB3 GLU 36 44.509 -8.905 11.763 227 HG2 GLU 36 HG2 GLU 36 47.439 -9.533 11.293 228 HG3 GLU 36 HG3 GLU 36 46.227 -10.551 12.063 229 H SER 37 H SER 37 45.502 -8.228 7.975 230 HA SER 37 HA SER 37 42.897 -7.174 7.311 231 HB2 SER 37 HB2 SER 37 44.909 -8.667 5.566 232 HB3 SER 37 HB3 SER 37 43.519 -7.734 5.001 233 HG SER 37 HG SER 37 45.849 -6.796 6.308 234 H PHE 38 H PHE 38 41.138 -8.345 7.806 235 HA PHE 38 HA PHE 38 41.032 -11.233 7.122 236 HB2 PHE 38 HB2 PHE 38 39.328 -9.755 9.188 237 HB3 PHE 38 HB3 PHE 38 39.231 -11.471 8.804 238 HD1 PHE 38 HD2 PHE 38 41.216 -12.958 9.384 239 HD2 PHE 38 HD1 PHE 38 40.871 -8.952 10.831 240 HE1 PHE 38 HE2 PHE 38 42.819 -13.464 11.174 241 HE2 PHE 38 HE1 PHE 38 42.485 -9.467 12.609 242 HZ PHE 38 HZ PHE 38 43.455 -11.719 12.788 243 H ALA 39 H ALA 39 39.736 -11.612 5.381 244 HA ALA 39 HA ALA 39 37.833 -9.676 4.364 245 HB1 ALA 39 HB1 ALA 39 37.332 -11.407 2.670 246 HB2 ALA 39 HB2 ALA 39 38.317 -12.571 3.560 247 HB3 ALA 39 HB3 ALA 39 39.072 -11.155 2.826 248 H SER 40 H SER 40 37.777 -12.687 6.174 249 HA SER 40 HA SER 40 34.894 -12.717 6.579 250 HB2 SER 40 HB2 SER 40 37.097 -14.426 7.828 251 HB3 SER 40 HB3 SER 40 35.364 -14.765 7.859 252 HG SER 40 HG SER 40 37.197 -15.251 5.906 253 H LYS 41 H LYS 41 33.975 -11.477 8.121 254 HA LYS 41 HA LYS 41 35.408 -9.926 10.019 255 HB2 LYS 41 HB2 LYS 41 33.234 -9.220 9.043 256 HB3 LYS 41 HB3 LYS 41 32.426 -10.543 9.881 257 HG2 LYS 41 HG2 LYS 41 33.088 -9.514 12.069 258 HG3 LYS 41 HG3 LYS 41 33.795 -8.160 11.187 259 HD2 LYS 41 HD2 LYS 41 31.559 -7.574 12.036 260 HD3 LYS 41 HD3 LYS 41 31.570 -7.579 10.272 261 HE2 LYS 41 HE2 LYS 41 30.450 -9.747 10.224 262 HE3 LYS 41 HE3 LYS 41 30.566 -9.889 11.979 263 HZ1 LYS 41 HZ1 LYS 41 29.062 -7.767 10.565 264 HZ2 LYS 41 HZ2 LYS 41 29.080 -8.052 12.227 265 HZ3 LYS 41 HZ3 LYS 41 28.366 -9.174 11.181 266 H GLY 42 H GLY 42 33.874 -13.095 10.205 267 HA2 GLY 42 HA2 GLY 42 33.727 -13.467 12.993 268 HA3 GLY 42 HA3 GLY 42 33.913 -14.740 11.801 269 H ALA 43 H ALA 43 36.407 -13.904 10.736 270 HA ALA 43 HA ALA 43 38.260 -15.058 12.597 271 HB1 ALA 43 HB1 ALA 43 38.768 -13.706 9.926 272 HB2 ALA 43 HB2 ALA 43 38.447 -15.425 10.175 273 HB3 ALA 43 HB3 ALA 43 39.924 -14.697 10.814 274 H GLN 44 H GLN 44 37.296 -11.825 11.808 275 HA GLN 44 HA GLN 44 39.485 -10.368 12.927 276 HB2 GLN 44 HB2 GLN 44 37.835 -9.413 11.313 277 HB3 GLN 44 HB3 GLN 44 36.569 -9.564 12.522 278 HG2 GLN 44 HG2 GLN 44 37.972 -7.977 13.972 279 HG3 GLN 44 HG3 GLN 44 38.931 -7.675 12.522 280 HE21 GLN 44 HE21 GLN 44 35.424 -8.159 12.656 281 HE22 GLN 44 HE22 GLN 44 35.001 -6.558 12.191 282 H GLU 45 H GLU 45 36.355 -11.506 14.178 283 HA GLU 45 HA GLU 45 36.378 -10.157 16.675 284 HB2 GLU 45 HB2 GLU 45 34.883 -12.746 16.063 285 HB3 GLU 45 HB3 GLU 45 34.486 -11.556 17.299 286 HG2 GLU 45 HG2 GLU 45 34.195 -11.300 14.302 287 HG3 GLU 45 HG3 GLU 45 32.919 -11.333 15.514 288 H ARG 46 H ARG 46 37.435 -13.404 15.702 289 HA ARG 46 HA ARG 46 37.863 -14.407 18.337 290 HB2 ARG 46 HB2 ARG 46 38.944 -16.326 17.281 291 HB3 ARG 46 HB3 ARG 46 37.462 -15.913 16.427 292 HG2 ARG 46 HG2 ARG 46 38.903 -14.720 14.716 293 HG3 ARG 46 HG3 ARG 46 40.311 -15.409 15.529 294 HD2 ARG 46 HD2 ARG 46 38.048 -16.995 14.243 295 HD3 ARG 46 HD3 ARG 46 39.653 -16.739 13.559 296 HE ARG 46 HE ARG 46 40.582 -18.091 15.295 297 HH11 ARG 46 HH11 ARG 46 37.071 -18.269 15.167 298 HH12 ARG 46 HH12 ARG 46 37.014 -19.821 15.940 299 HH21 ARG 46 HH21 ARG 46 40.469 -20.125 16.276 300 HH22 ARG 46 HH22 ARG 46 38.921 -20.854 16.581 301 H HIS 47 H HIS 47 39.935 -12.633 16.067 302 HA HIS 47 HA HIS 47 42.418 -13.109 17.395 303 HB2 HIS 47 HB2 HIS 47 41.840 -11.977 14.995 304 HB3 HIS 47 HB3 HIS 47 42.065 -10.497 15.916 305 HD2 HIS 47 HD2 HIS 47 44.066 -13.431 14.409 306 HE1 HIS 47 HE1 HIS 47 46.867 -10.920 16.311 307 HE2 HIS 47 HE2 HIS 47 46.553 -12.853 14.732 308 H LEU 48 H LEU 48 39.794 -10.879 17.933 309 HA LEU 48 HA LEU 48 41.040 -9.214 19.897 310 HB2 LEU 48 HB2 LEU 48 38.106 -9.900 19.449 311 HB3 LEU 48 HB3 LEU 48 38.672 -8.660 20.559 312 HG LEU 48 HG LEU 48 39.169 -8.590 17.553 313 HD11 LEU 48 HD11 LEU 48 36.757 -8.448 17.983 314 HD12 LEU 48 HD12 LEU 48 37.386 -6.908 17.403 315 HD13 LEU 48 HD13 LEU 48 37.021 -7.120 19.120 316 HD21 LEU 48 HD21 LEU 48 39.780 -6.228 17.945 317 HD22 LEU 48 HD22 LEU 48 40.828 -7.315 18.848 318 HD23 LEU 48 HD23 LEU 48 39.541 -6.442 19.682 319 H ARG 49 H ARG 49 38.655 -11.884 20.262 320 HA ARG 49 HA ARG 49 38.778 -11.963 23.067 321 HB2 ARG 49 HB2 ARG 49 36.902 -12.787 21.625 322 HB3 ARG 49 HB3 ARG 49 37.868 -14.186 21.196 323 HG2 ARG 49 HG2 ARG 49 37.368 -13.710 24.123 324 HG3 ARG 49 HG3 ARG 49 35.997 -14.227 23.146 325 HD2 ARG 49 HD2 ARG 49 38.641 -15.717 23.340 326 HD3 ARG 49 HD3 ARG 49 37.177 -16.114 24.249 327 HE ARG 49 HE ARG 49 36.087 -16.427 22.009 328 HH11 ARG 49 HH11 ARG 49 39.534 -17.001 22.369 329 HH12 ARG 49 HH12 ARG 49 39.599 -18.107 21.038 330 HH21 ARG 49 HH21 ARG 49 36.186 -17.882 20.293 331 HH22 ARG 49 HH22 ARG 49 37.700 -18.609 19.860 332 H LEU 50 H LEU 50 40.895 -13.430 20.733 333 HA LEU 50 HA LEU 50 42.229 -15.232 22.554 334 HB2 LEU 50 HB2 LEU 50 42.888 -14.225 19.765 335 HB3 LEU 50 HB3 LEU 50 43.979 -15.278 20.652 336 HG LEU 50 HG LEU 50 41.114 -16.020 19.927 337 HD11 LEU 50 HD11 LEU 50 43.681 -16.836 18.530 338 HD12 LEU 50 HD12 LEU 50 42.419 -15.785 17.882 339 HD13 LEU 50 HD13 LEU 50 42.072 -17.483 18.194 340 HD21 LEU 50 HD21 LEU 50 43.370 -17.735 21.043 341 HD22 LEU 50 HD22 LEU 50 41.778 -18.316 20.550 342 HD23 LEU 50 HD23 LEU 50 41.924 -17.214 21.914 343 H LEU 51 H LEU 51 43.711 -12.479 20.753 344 HA LEU 51 HA LEU 51 45.616 -12.141 22.982 345 HB2 LEU 51 HB2 LEU 51 45.759 -11.233 20.085 346 HB3 LEU 51 HB3 LEU 51 46.986 -10.869 21.289 347 HG LEU 51 HG LEU 51 46.255 -13.643 20.262 348 HD11 LEU 51 HD11 LEU 51 48.779 -12.011 19.853 349 HD12 LEU 51 HD12 LEU 51 47.546 -12.342 18.635 350 HD13 LEU 51 HD13 LEU 51 48.512 -13.664 19.288 351 HD21 LEU 51 HD21 LEU 51 48.147 -14.468 21.642 352 HD22 LEU 51 HD22 LEU 51 46.848 -13.808 22.628 353 HD23 LEU 51 HD23 LEU 51 48.317 -12.864 22.362 354 H HIS 52 H HIS 52 43.425 -10.250 20.923 355 HA HIS 52 HA HIS 52 44.178 -7.745 22.284 356 HB2 HIS 52 HB2 HIS 52 42.784 -8.362 19.635 357 HB3 HIS 52 HB3 HIS 52 42.840 -6.721 20.299 358 HD2 HIS 52 HD2 HIS 52 45.564 -5.965 21.047 359 HE1 HIS 52 HE1 HIS 52 47.334 -8.566 18.287 360 HE2 HIS 52 HE2 HIS 52 47.756 -6.871 20.082 361 H ALA 53 H ALA 53 42.767 -9.595 23.744 362 HA ALA 53 HA ALA 53 40.059 -8.624 24.159 363 HB1 ALA 53 HB1 ALA 53 40.529 -11.037 24.310 364 HB2 ALA 53 HB2 ALA 53 39.932 -10.412 25.847 365 HB3 ALA 53 HB3 ALA 53 41.654 -10.746 25.638 366 H ALA 54 H ALA 54 42.937 -7.359 24.851 367 HA ALA 54 HA ALA 54 42.684 -6.677 27.639 368 HB1 ALA 54 HB1 ALA 54 44.891 -6.962 26.577 369 HB2 ALA 54 HB2 ALA 54 44.711 -5.339 27.245 370 HB3 ALA 54 HB3 ALA 54 44.560 -5.598 25.506 371 H GLN 55 H GLN 55 42.113 -5.075 24.513 372 HA GLN 55 HA GLN 55 41.278 -2.564 25.720 373 HB2 GLN 55 HB2 GLN 55 41.165 -3.511 22.830 374 HB3 GLN 55 HB3 GLN 55 40.738 -1.886 23.366 375 HG2 GLN 55 HG2 GLN 55 43.478 -3.167 23.609 376 HG3 GLN 55 HG3 GLN 55 42.999 -1.990 22.389 377 HE21 GLN 55 HE21 GLN 55 45.147 -1.807 24.299 378 HE22 GLN 55 HE22 GLN 55 44.856 -0.399 25.251 379 H VAL 56 H VAL 56 39.719 -5.381 24.240 380 HA VAL 56 HA VAL 56 37.052 -4.219 24.500 381 HB VAL 56 HB VAL 56 36.202 -6.188 23.364 382 HG11 VAL 56 HG11 VAL 56 38.759 -5.250 22.001 383 HG12 VAL 56 HG12 VAL 56 37.183 -4.458 21.922 384 HG13 VAL 56 HG13 VAL 56 37.400 -6.054 21.205 385 HG21 VAL 56 HG21 VAL 56 37.587 -7.939 24.428 386 HG22 VAL 56 HG22 VAL 56 38.990 -7.393 23.509 387 HG23 VAL 56 HG23 VAL 56 37.605 -8.093 22.671 388 H PHE 57 H PHE 57 35.384 -5.180 25.771 389 HA PHE 57 HA PHE 57 36.280 -6.780 28.114 390 HB2 PHE 57 HB2 PHE 57 34.230 -4.523 28.034 391 HB3 PHE 57 HB3 PHE 57 34.565 -5.525 29.442 392 HD1 PHE 57 HD2 PHE 57 36.061 -2.972 27.156 393 HD2 PHE 57 HD1 PHE 57 36.408 -4.993 30.909 394 HE1 PHE 57 HE2 PHE 57 37.808 -1.390 27.851 395 HE2 PHE 57 HE1 PHE 57 38.161 -3.403 31.590 396 HZ PHE 57 HZ PHE 57 38.857 -1.602 30.067 397 HA PRO 58 HA PRO 58 32.894 -9.233 26.036 398 HB2 PRO 58 HB2 PRO 58 33.907 -11.713 26.622 399 HB3 PRO 58 HB3 PRO 58 34.472 -10.756 25.246 400 HG2 PRO 58 HG2 PRO 58 35.710 -11.053 27.980 401 HG3 PRO 58 HG3 PRO 58 36.491 -11.124 26.383 402 HD2 PRO 58 HD2 PRO 58 36.551 -8.879 27.925 403 HD3 PRO 58 HD3 PRO 58 36.517 -8.800 26.149 404 H CYS 59 H CYS 59 31.066 -10.065 27.018 405 HA CYS 59 HA CYS 59 30.717 -10.104 29.863 406 HB2 CYS 59 HB2 CYS 59 28.860 -9.691 28.214 407 HB3 CYS 59 HB3 CYS 59 28.960 -11.366 27.688 408 H LYS 60 H LYS 60 31.804 -11.607 31.115 409 HA LYS 60 HA LYS 60 33.226 -13.738 29.776 410 HB2 LYS 60 HB2 LYS 60 33.284 -13.021 32.737 411 HB3 LYS 60 HB3 LYS 60 34.454 -14.011 31.883 412 HG2 LYS 60 HG2 LYS 60 35.667 -12.086 31.853 413 HG3 LYS 60 HG3 LYS 60 34.679 -11.718 30.441 414 HD2 LYS 60 HD2 LYS 60 33.125 -10.408 31.876 415 HD3 LYS 60 HD3 LYS 60 34.118 -10.789 33.288 416 HE2 LYS 60 HE2 LYS 60 34.981 -9.174 30.863 417 HE3 LYS 60 HE3 LYS 60 34.640 -8.538 32.474 418 HZ1 LYS 60 HZ1 LYS 60 37.008 -8.791 32.082 419 HZ2 LYS 60 HZ2 LYS 60 36.825 -10.440 31.795 420 HZ3 LYS 60 HZ3 LYS 60 36.504 -9.807 33.327 421 H TYR 61 H TYR 61 30.226 -14.004 30.441 422 HA TYR 61 HA TYR 61 30.206 -16.474 32.066 423 HB2 TYR 61 HB2 TYR 61 27.760 -14.734 31.622 424 HB3 TYR 61 HB3 TYR 61 28.116 -15.812 32.967 425 HD1 TYR 61 HD1 TYR 61 28.751 -12.473 31.503 426 HD2 TYR 61 HD2 TYR 61 29.415 -14.969 34.904 427 HE1 TYR 61 HE1 TYR 61 29.536 -10.531 32.762 428 HE2 TYR 61 HE2 TYR 61 30.194 -13.012 36.167 429 HH TYR 61 HH TYR 61 29.666 -9.863 35.181 430 H CYS 62 H CYS 62 29.127 -14.834 29.167 431 HA CYS 62 HA CYS 62 28.215 -17.354 27.913 432 HB2 CYS 62 HB2 CYS 62 26.321 -16.207 26.912 433 HB3 CYS 62 HB3 CYS 62 26.261 -15.855 28.639 434 HA PRO 63 HA PRO 63 31.193 -15.972 24.786 435 HB2 PRO 63 HB2 PRO 63 30.251 -17.255 22.526 436 HB3 PRO 63 HB3 PRO 63 31.136 -18.072 23.821 437 HG2 PRO 63 HG2 PRO 63 28.155 -17.927 23.366 438 HG3 PRO 63 HG3 PRO 63 29.152 -19.334 23.798 439 HD2 PRO 63 HD2 PRO 63 27.710 -17.995 25.659 440 HD3 PRO 63 HD3 PRO 63 29.293 -18.700 26.055 441 H ALA 64 H ALA 64 30.618 -13.779 24.909 442 HA ALA 64 HA ALA 64 29.509 -12.581 22.518 443 HB1 ALA 64 HB1 ALA 64 27.845 -11.170 23.714 444 HB2 ALA 64 HB2 ALA 64 28.188 -12.037 25.214 445 HB3 ALA 64 HB3 ALA 64 27.447 -12.885 23.859 446 H THR 65 H THR 65 31.285 -11.379 22.097 447 HA THR 65 HA THR 65 32.814 -10.094 24.235 448 HB THR 65 HB THR 65 33.404 -10.321 21.247 449 HG1 THR 65 HG1 THR 65 33.467 -12.211 22.854 450 HG21 THR 65 HG21 THR 65 35.706 -9.621 21.836 451 HG22 THR 65 HG22 THR 65 35.198 -9.345 23.504 452 HG23 THR 65 HG23 THR 65 34.543 -8.344 22.206 453 H PHE 66 H PHE 66 32.501 -8.049 24.789 454 HA PHE 66 HA PHE 66 31.230 -6.126 22.935 455 HB2 PHE 66 HB2 PHE 66 31.471 -6.073 25.991 456 HB3 PHE 66 HB3 PHE 66 30.745 -4.796 25.009 457 HD1 PHE 66 HD2 PHE 66 28.639 -5.247 23.722 458 HD2 PHE 66 HD1 PHE 66 30.214 -8.090 26.515 459 HE1 PHE 66 HE2 PHE 66 26.476 -6.412 23.761 460 HE2 PHE 66 HE1 PHE 66 28.046 -9.253 26.521 461 HZ PHE 66 HZ PHE 66 26.180 -8.417 25.152 462 H TYR 67 H TYR 67 32.177 -4.008 22.827 463 HA TYR 67 HA TYR 67 35.063 -4.178 22.664 464 HB2 TYR 67 HB2 TYR 67 33.553 -3.193 20.862 465 HB3 TYR 67 HB3 TYR 67 33.266 -1.826 21.932 466 HD1 TYR 67 HD2 TYR 67 35.911 -3.638 20.026 467 HD2 TYR 67 HD1 TYR 67 34.883 -0.016 22.051 468 HE1 TYR 67 HE2 TYR 67 37.943 -2.577 19.164 469 HE2 TYR 67 HE1 TYR 67 36.928 1.039 21.183 470 HH TYR 67 HH TYR 67 39.132 0.378 20.327 471 H SER 68 H SER 68 32.802 -2.942 24.938 472 HA SER 68 HA SER 68 34.848 -1.418 26.394 473 HB2 SER 68 HB2 SER 68 32.150 -0.237 25.569 474 HB3 SER 68 HB3 SER 68 33.352 0.554 26.591 475 HG SER 68 HG SER 68 34.807 0.386 24.769 476 H SER 69 H SER 69 34.232 -0.854 28.562 477 HA SER 69 HA SER 69 33.103 -2.916 30.085 478 HB2 SER 69 HB2 SER 69 33.648 -0.051 30.951 479 HB3 SER 69 HB3 SER 69 33.401 -1.424 32.032 480 HG SER 69 HG SER 69 35.570 -0.827 30.351 481 HA PRO 70 HA PRO 70 29.010 0.056 30.419 482 HB2 PRO 70 HB2 PRO 70 29.337 1.010 27.557 483 HB3 PRO 70 HB3 PRO 70 28.471 1.773 28.902 484 HG2 PRO 70 HG2 PRO 70 30.869 2.679 28.229 485 HG3 PRO 70 HG3 PRO 70 30.465 2.476 29.950 486 HD2 PRO 70 HD2 PRO 70 32.166 0.726 28.181 487 HD3 PRO 70 HD3 PRO 70 32.406 1.174 29.881 488 H GLY 71 H GLY 71 30.118 -1.318 27.287 489 HA2 GLY 71 HA2 GLY 71 27.686 -2.585 26.547 490 HA3 GLY 71 HA3 GLY 71 29.275 -2.952 25.904 491 H LEU 72 H LEU 72 30.531 -3.759 28.287 492 HA LEU 72 HA LEU 72 29.901 -6.461 28.644 493 HB2 LEU 72 HB2 LEU 72 32.088 -5.723 29.223 494 HB3 LEU 72 HB3 LEU 72 31.486 -4.430 30.236 495 HG LEU 72 HG LEU 72 30.828 -6.077 31.977 496 HD11 LEU 72 HD11 LEU 72 31.543 -8.415 31.850 497 HD12 LEU 72 HD12 LEU 72 32.084 -8.169 30.187 498 HD13 LEU 72 HD13 LEU 72 30.372 -8.029 30.589 499 HD21 LEU 72 HD21 LEU 72 33.029 -5.018 32.106 500 HD22 LEU 72 HD22 LEU 72 33.727 -6.296 31.105 501 HD23 LEU 72 HD23 LEU 72 33.103 -6.669 32.716 502 H THR 73 H THR 73 29.167 -3.670 30.746 503 HA THR 73 HA THR 73 27.659 -5.095 32.694 504 HB THR 73 HB THR 73 27.637 -2.102 32.084 505 HG1 THR 73 HG1 THR 73 29.686 -3.525 32.767 506 HG21 THR 73 HG21 THR 73 25.810 -2.744 33.630 507 HG22 THR 73 HG22 THR 73 27.054 -1.832 34.484 508 HG23 THR 73 HG23 THR 73 26.968 -3.585 34.666 509 H ARG 74 H ARG 74 26.845 -3.635 29.604 510 HA ARG 74 HA ARG 74 24.069 -3.308 29.896 511 HB2 ARG 74 HB2 ARG 74 25.864 -3.597 27.486 512 HB3 ARG 74 HB3 ARG 74 24.126 -3.713 27.243 513 HG2 ARG 74 HG2 ARG 74 25.604 -1.339 28.426 514 HG3 ARG 74 HG3 ARG 74 24.921 -1.447 26.800 515 HD2 ARG 74 HD2 ARG 74 22.656 -1.698 27.787 516 HD3 ARG 74 HD3 ARG 74 23.352 -1.542 29.405 517 HE ARG 74 HE ARG 74 23.814 0.637 27.503 518 HH11 ARG 74 HH11 ARG 74 22.130 -0.458 30.382 519 HH12 ARG 74 HH12 ARG 74 21.526 1.119 30.771 520 HH21 ARG 74 HH21 ARG 74 22.991 2.689 28.017 521 HH22 ARG 74 HH22 ARG 74 22.007 2.895 29.430 522 H HIS 75 H HIS 75 25.937 -6.204 28.872 523 HA HIS 75 HA HIS 75 23.589 -7.717 28.260 524 HB2 HIS 75 HB2 HIS 75 26.185 -8.283 27.719 525 HB3 HIS 75 HB3 HIS 75 26.023 -9.268 29.170 526 HD2 HIS 75 HD2 HIS 75 24.086 -8.798 25.786 527 HE1 HIS 75 HE1 HIS 75 23.507 -12.760 27.065 528 HE2 HIS 75 HE2 HIS 75 23.165 -11.121 25.191 529 H ILE 76 H ILE 76 25.628 -7.427 31.100 530 HA ILE 76 HA ILE 76 24.496 -9.362 32.788 531 HB ILE 76 HB ILE 76 25.847 -6.734 33.562 532 HG12 ILE 76 HG12 ILE 76 27.122 -9.477 33.026 533 HG13 ILE 76 HG13 ILE 76 27.237 -8.064 31.987 534 HG21 ILE 76 HG21 ILE 76 26.488 -7.849 35.678 535 HG22 ILE 76 HG22 ILE 76 25.587 -9.290 35.203 536 HG23 ILE 76 HG23 ILE 76 24.735 -7.774 35.504 537 HD11 ILE 76 HD11 ILE 76 28.488 -6.879 33.725 538 HD12 ILE 76 HD12 ILE 76 29.268 -8.384 33.240 539 HD13 ILE 76 HD13 ILE 76 28.385 -8.306 34.764 540 H ASN 77 H ASN 77 23.489 -6.068 32.057 541 HA ASN 77 HA ASN 77 21.414 -6.003 34.111 542 HB2 ASN 77 HB2 ASN 77 22.318 -4.015 32.003 543 HB3 ASN 77 HB3 ASN 77 20.895 -3.737 32.999 544 HD21 ASN 77 HD21 ASN 77 23.871 -5.268 34.223 545 HD22 ASN 77 HD22 ASN 77 24.308 -3.967 35.263 546 H LYS 78 H LYS 78 21.612 -6.447 30.586 547 HA LYS 78 HA LYS 78 18.727 -6.061 30.221 548 HB2 LYS 78 HB2 LYS 78 20.239 -4.931 28.669 549 HB3 LYS 78 HB3 LYS 78 21.012 -6.455 28.255 550 HG2 LYS 78 HG2 LYS 78 18.809 -7.217 27.279 551 HG3 LYS 78 HG3 LYS 78 18.193 -5.584 27.554 552 HD2 LYS 78 HD2 LYS 78 19.979 -4.676 26.076 553 HD3 LYS 78 HD3 LYS 78 20.576 -6.315 25.802 554 HE2 LYS 78 HE2 LYS 78 17.822 -5.297 25.032 555 HE3 LYS 78 HE3 LYS 78 19.182 -5.504 23.925 556 HZ1 LYS 78 HZ1 LYS 78 17.665 -7.362 23.817 557 HZ2 LYS 78 HZ2 LYS 78 17.855 -7.665 25.465 558 HZ3 LYS 78 HZ3 LYS 78 19.161 -7.872 24.413 559 H CYS 79 H CYS 79 21.126 -8.510 29.195 560 HA CYS 79 HA CYS 79 18.933 -10.459 28.720 561 HB2 CYS 79 HB2 CYS 79 19.855 -9.483 26.634 562 HB3 CYS 79 HB3 CYS 79 21.472 -10.006 27.097 563 HG CYS 79 HG CYS 79 19.917 -12.733 27.243 564 H HIS 80 H HIS 80 21.097 -9.890 30.891 565 HA HIS 80 HA HIS 80 21.462 -12.682 31.583 566 HB2 HIS 80 HB2 HIS 80 23.592 -11.409 30.246 567 HB3 HIS 80 HB3 HIS 80 24.019 -11.144 31.927 568 HD2 HIS 80 HD2 HIS 80 22.784 -14.297 32.684 569 HE1 HIS 80 HE1 HIS 80 26.226 -15.310 30.482 570 HE2 HIS 80 HE2 HIS 80 24.335 -16.193 31.884 571 HA PRO 81 HA PRO 81 20.933 -9.380 35.028 572 HB2 PRO 81 HB2 PRO 81 18.303 -9.107 35.383 573 HB3 PRO 81 HB3 PRO 81 19.072 -8.406 33.950 574 HG2 PRO 81 HG2 PRO 81 17.491 -10.964 34.194 575 HG3 PRO 81 HG3 PRO 81 17.411 -9.717 32.930 576 HD2 PRO 81 HD2 PRO 81 18.893 -12.099 32.762 577 HD3 PRO 81 HD3 PRO 81 19.158 -10.662 31.752 578 H SER 82 H SER 82 20.208 -12.626 34.728 579 HA SER 82 HA SER 82 19.005 -13.033 37.365 580 HB2 SER 82 HB2 SER 82 19.594 -15.023 35.134 581 HB3 SER 82 HB3 SER 82 18.560 -15.294 36.541 582 HG SER 82 HG SER 82 17.014 -14.498 35.365 583 H GLU 83 H GLU 83 22.078 -12.588 36.386 584 HA GLU 83 HA GLU 83 23.595 -14.789 37.172 585 HB2 GLU 83 HB2 GLU 83 24.374 -11.843 37.299 586 HB3 GLU 83 HB3 GLU 83 25.502 -13.195 37.375 587 HG2 GLU 83 HG2 GLU 83 24.739 -13.887 35.089 588 HG3 GLU 83 HG3 GLU 83 23.738 -12.444 35.026 589 H ASN 84 H ASN 84 24.265 -15.599 39.062 590 HA ASN 84 HA ASN 84 22.760 -15.042 41.410 591 HB2 ASN 84 HB2 ASN 84 25.176 -16.852 40.971 592 HB3 ASN 84 HB3 ASN 84 24.161 -16.871 42.412 593 HD21 ASN 84 HD21 ASN 84 22.042 -17.683 42.258 594 HD22 ASN 84 HD22 ASN 84 21.538 -18.666 40.929 595 H ARG 85 H ARG 85 23.507 -14.435 43.501 596 HA ARG 85 HA ARG 85 25.478 -12.345 43.590 597 HB2 ARG 85 HB2 ARG 85 23.413 -12.213 44.935 598 HB3 ARG 85 HB3 ARG 85 23.855 -13.680 45.803 599 HG2 ARG 85 HG2 ARG 85 25.874 -12.467 46.701 600 HG3 ARG 85 HG3 ARG 85 25.268 -10.989 45.945 601 HD2 ARG 85 HD2 ARG 85 24.699 -11.122 48.357 602 HD3 ARG 85 HD3 ARG 85 23.252 -11.073 47.341 603 HE ARG 85 HE ARG 85 23.784 -13.751 47.723 604 HH11 ARG 85 HH11 ARG 85 23.177 -11.077 49.923 605 HH12 ARG 85 HH12 ARG 85 22.340 -12.074 51.068 606 HH21 ARG 85 HH21 ARG 85 22.683 -15.020 49.239 607 HH22 ARG 85 HH22 ARG 85 22.054 -14.294 50.683 Start of MODEL 14 1 H1 MET 1 H1 MET 1 7.590 6.000 43.811 2 H2 MET 1 H2 MET 1 6.627 4.640 43.546 3 H3 MET 1 H3 MET 1 8.308 4.494 43.584 4 HA MET 1 HA MET 1 6.615 5.310 45.861 5 HB2 MET 1 HB2 MET 1 8.021 2.666 45.288 6 HB3 MET 1 HB3 MET 1 7.270 3.070 46.831 7 HG2 MET 1 HG2 MET 1 5.795 1.641 45.553 8 HG3 MET 1 HG3 MET 1 5.077 3.249 45.685 9 HE1 MET 1 HE1 MET 1 3.927 1.203 43.612 10 HE2 MET 1 HE2 MET 1 3.822 2.168 42.143 11 HE3 MET 1 HE3 MET 1 3.363 2.873 43.695 12 H GLY 2 H GLY 2 7.702 6.511 47.258 13 HA2 GLY 2 HA2 GLY 2 10.167 6.051 48.418 14 HA3 GLY 2 HA3 GLY 2 10.489 7.089 47.027 15 H HIS 3 H HIS 3 9.648 9.194 46.975 16 HA HIS 3 HA HIS 3 9.149 11.242 47.764 17 HB2 HIS 3 HB2 HIS 3 7.147 9.705 49.492 18 HB3 HIS 3 HB3 HIS 3 7.175 11.461 49.340 19 HD1 HIS 3 HD1 HIS 3 5.768 12.395 47.507 20 HD2 HIS 3 HD2 HIS 3 6.687 8.403 46.836 21 HE1 HIS 3 HE1 HIS 3 4.495 11.748 45.451 22 HE2 HIS 3 HE2 HIS 3 5.165 9.368 44.997 23 H HIS 4 H HIS 4 11.418 10.909 48.544 24 HA HIS 4 HA HIS 4 11.622 11.510 51.439 25 HB2 HIS 4 HB2 HIS 4 13.470 9.690 49.826 26 HB3 HIS 4 HB3 HIS 4 13.842 10.288 51.440 27 HD1 HIS 4 HD1 HIS 4 11.907 9.598 53.302 28 HD2 HIS 4 HD2 HIS 4 12.171 7.289 49.863 29 HE1 HIS 4 HE1 HIS 4 10.771 7.435 53.846 30 HE2 HIS 4 HE2 HIS 4 10.832 6.112 51.716 31 H HIS 5 H HIS 5 12.938 13.176 51.950 32 HA HIS 5 HA HIS 5 13.718 14.983 49.792 33 HB2 HIS 5 HB2 HIS 5 13.800 15.383 52.821 34 HB3 HIS 5 HB3 HIS 5 14.045 16.636 51.605 35 HD1 HIS 5 HD1 HIS 5 11.957 17.592 50.467 36 HD2 HIS 5 HD2 HIS 5 11.097 14.563 53.181 37 HE1 HIS 5 HE1 HIS 5 9.486 17.718 50.862 38 HE2 HIS 5 HE2 HIS 5 9.017 15.971 52.600 39 H HIS 6 H HIS 6 15.510 13.779 48.968 40 HA HIS 6 HA HIS 6 18.030 14.099 50.516 41 HB2 HIS 6 HB2 HIS 6 17.341 11.815 48.598 42 HB3 HIS 6 HB3 HIS 6 18.914 12.054 49.354 43 HD1 HIS 6 HD1 HIS 6 16.495 9.720 49.651 44 HD2 HIS 6 HD2 HIS 6 18.003 12.367 52.481 45 HE1 HIS 6 HE1 HIS 6 16.021 8.681 51.878 46 HE2 HIS 6 HE2 HIS 6 16.848 10.338 53.573 47 H HIS 7 H HIS 7 19.118 15.736 49.559 48 HA HIS 7 HA HIS 7 18.623 16.422 46.744 49 HB2 HIS 7 HB2 HIS 7 18.474 18.170 48.549 50 HB3 HIS 7 HB3 HIS 7 20.191 17.951 48.859 51 HD1 HIS 7 HD1 HIS 7 17.969 18.930 45.906 52 HD2 HIS 7 HD2 HIS 7 21.734 19.731 47.471 53 HE1 HIS 7 HE1 HIS 7 18.970 20.670 44.415 54 HE2 HIS 7 HE2 HIS 7 21.307 20.992 45.267 55 H HIS 8 H HIS 8 19.919 14.096 46.876 56 HA HIS 8 HA HIS 8 22.134 14.440 45.194 57 HB2 HIS 8 HB2 HIS 8 23.988 13.533 46.522 58 HB3 HIS 8 HB3 HIS 8 23.363 14.961 47.335 59 HD1 HIS 8 HD1 HIS 8 24.056 11.395 47.845 60 HD2 HIS 8 HD2 HIS 8 21.774 14.327 49.710 61 HE1 HIS 8 HE1 HIS 8 23.489 10.474 50.105 62 HE2 HIS 8 HE2 HIS 8 22.244 12.321 51.265 63 H SER 9 H SER 9 22.837 12.439 44.308 64 HA SER 9 HA SER 9 21.094 10.123 44.793 65 HB2 SER 9 HB2 SER 9 21.582 10.924 42.451 66 HB3 SER 9 HB3 SER 9 23.282 10.530 42.698 67 HG SER 9 HG SER 9 22.036 8.884 41.614 68 H HIS 10 H HIS 10 22.733 7.992 44.300 69 HA HIS 10 HA HIS 10 24.969 8.132 46.213 70 HB2 HIS 10 HB2 HIS 10 24.265 5.915 47.169 71 HB3 HIS 10 HB3 HIS 10 23.169 7.236 47.542 72 HD1 HIS 10 HD1 HIS 10 23.246 3.873 46.157 73 HD2 HIS 10 HD2 HIS 10 20.691 7.136 45.932 74 HE1 HIS 10 HE1 HIS 10 21.044 2.953 45.389 75 HE2 HIS 10 HE2 HIS 10 19.570 4.969 45.111 76 H MET 11 H MET 11 26.223 8.290 44.340 77 HA MET 11 HA MET 11 26.399 6.301 42.308 78 HB2 MET 11 HB2 MET 11 28.309 8.486 43.219 79 HB3 MET 11 HB3 MET 11 28.723 7.383 41.908 80 HG2 MET 11 HG2 MET 11 27.884 9.489 41.028 81 HG3 MET 11 HG3 MET 11 26.789 8.168 40.625 82 HE1 MET 11 HE1 MET 11 24.380 11.248 41.022 83 HE2 MET 11 HE2 MET 11 24.923 9.962 39.947 84 HE3 MET 11 HE3 MET 11 26.020 11.278 40.375 85 H GLY 12 H GLY 12 27.639 4.487 42.160 86 HA2 GLY 12 HA2 GLY 12 29.219 3.644 44.542 87 HA3 GLY 12 HA3 GLY 12 28.240 2.562 43.561 88 H ASP 13 H ASP 13 29.804 4.803 41.572 89 HA ASP 13 HA ASP 13 32.421 3.631 41.458 90 HB2 ASP 13 HB2 ASP 13 32.352 2.642 39.234 91 HB3 ASP 13 HB3 ASP 13 31.093 1.898 40.208 92 H GLY 14 H GLY 14 29.968 5.664 39.848 93 HA2 GLY 14 HA2 GLY 14 30.427 8.075 39.769 94 HA3 GLY 14 HA3 GLY 14 32.082 7.698 39.314 95 H GLU 15 H GLU 15 31.003 5.511 37.509 96 HA GLU 15 HA GLU 15 30.425 5.115 35.370 97 HB2 GLU 15 HB2 GLU 15 28.513 7.430 35.855 98 HB3 GLU 15 HB3 GLU 15 28.419 6.339 34.472 99 HG2 GLU 15 HG2 GLU 15 28.084 4.428 36.034 100 HG3 GLU 15 HG3 GLU 15 28.123 5.557 37.387 101 H GLY 16 H GLY 16 32.694 6.785 35.764 102 HA2 GLY 16 HA2 GLY 16 32.779 8.833 33.720 103 HA3 GLY 16 HA3 GLY 16 34.120 8.242 34.689 104 H ALA 17 H ALA 17 32.009 7.345 31.974 105 HA ALA 17 HA ALA 17 33.908 5.361 30.950 106 HB1 ALA 17 HB1 ALA 17 32.148 4.855 29.303 107 HB2 ALA 17 HB2 ALA 17 31.195 6.229 29.869 108 HB3 ALA 17 HB3 ALA 17 31.481 4.857 30.939 109 H GLY 18 H GLY 18 34.209 5.432 28.469 110 HA2 GLY 18 HA2 GLY 18 34.229 7.400 26.685 111 HA3 GLY 18 HA3 GLY 18 35.486 7.977 27.776 112 H VAL 19 H VAL 19 34.813 5.937 25.140 113 HA VAL 19 HA VAL 19 37.073 4.121 25.490 114 HB VAL 19 HB VAL 19 36.398 3.155 23.311 115 HG11 VAL 19 HG11 VAL 19 34.054 3.524 25.215 116 HG12 VAL 19 HG12 VAL 19 35.335 2.320 25.364 117 HG13 VAL 19 HG13 VAL 19 34.213 2.244 24.006 118 HG21 VAL 19 HG21 VAL 19 34.345 3.946 22.146 119 HG22 VAL 19 HG22 VAL 19 35.606 5.178 22.151 120 HG23 VAL 19 HG23 VAL 19 34.239 5.313 23.261 121 H LEU 20 H LEU 20 38.630 3.841 23.622 122 HA LEU 20 HA LEU 20 39.640 6.495 22.747 123 HB2 LEU 20 HB2 LEU 20 41.284 4.126 23.722 124 HB3 LEU 20 HB3 LEU 20 41.930 5.662 23.164 125 HG LEU 20 HG LEU 20 40.275 5.237 25.689 126 HD11 LEU 20 HD11 LEU 20 43.217 5.890 25.376 127 HD12 LEU 20 HD12 LEU 20 42.539 4.355 25.919 128 HD13 LEU 20 HD13 LEU 20 42.334 5.799 26.905 129 HD21 LEU 20 HD21 LEU 20 40.757 7.612 26.206 130 HD22 LEU 20 HD22 LEU 20 39.778 7.444 24.753 131 HD23 LEU 20 HD23 LEU 20 41.502 7.806 24.614 132 H GLY 21 H GLY 21 40.921 6.533 20.845 133 HA2 GLY 21 HA2 GLY 21 41.809 5.796 18.842 134 HA3 GLY 21 HA3 GLY 21 41.234 4.176 19.174 135 H LEU 22 H LEU 22 41.094 5.755 16.715 136 HA LEU 22 HA LEU 22 38.227 6.141 16.266 137 HB2 LEU 22 HB2 LEU 22 40.601 6.465 14.381 138 HB3 LEU 22 HB3 LEU 22 38.927 6.719 13.917 139 HG LEU 22 HG LEU 22 38.854 8.554 15.752 140 HD11 LEU 22 HD11 LEU 22 40.979 9.615 16.368 141 HD12 LEU 22 HD12 LEU 22 41.872 8.326 15.554 142 HD13 LEU 22 HD13 LEU 22 40.883 7.962 16.968 143 HD21 LEU 22 HD21 LEU 22 38.839 9.084 13.358 144 HD22 LEU 22 HD22 LEU 22 40.604 9.018 13.305 145 HD23 LEU 22 HD23 LEU 22 39.787 10.267 14.252 146 H SER 23 H SER 23 37.001 4.415 15.796 147 HA SER 23 HA SER 23 38.101 1.854 15.093 148 HB2 SER 23 HB2 SER 23 35.648 1.174 15.045 149 HB3 SER 23 HB3 SER 23 36.185 1.901 16.559 150 HG SER 23 HG SER 23 34.806 3.245 14.468 151 H ALA 24 H ALA 24 39.145 2.231 13.138 152 HA ALA 24 HA ALA 24 37.538 2.873 10.740 153 HB1 ALA 24 HB1 ALA 24 39.696 3.257 9.622 154 HB2 ALA 24 HB2 ALA 24 40.561 2.770 11.083 155 HB3 ALA 24 HB3 ALA 24 39.566 4.227 11.088 156 H SER 25 H SER 25 37.363 1.455 9.058 157 HA SER 25 HA SER 25 38.779 -1.039 8.857 158 HB2 SER 25 HB2 SER 25 36.676 -2.455 9.048 159 HB3 SER 25 HB3 SER 25 37.191 -1.734 10.570 160 HG SER 25 HG SER 25 35.091 -0.863 8.870 161 H ALA 26 H ALA 26 38.995 0.746 7.061 162 HA ALA 26 HA ALA 26 36.988 0.859 5.015 163 HB1 ALA 26 HB1 ALA 26 38.675 2.650 5.316 164 HB2 ALA 26 HB2 ALA 26 38.697 2.003 3.674 165 HB3 ALA 26 HB3 ALA 26 39.948 1.531 4.829 166 H GLU 27 H GLU 27 40.244 -0.643 5.030 167 HA GLU 27 HA GLU 27 39.480 -2.573 2.969 168 HB2 GLU 27 HB2 GLU 27 42.115 -2.035 4.405 169 HB3 GLU 27 HB3 GLU 27 41.899 -3.366 3.282 170 HG2 GLU 27 HG2 GLU 27 43.032 -1.498 2.203 171 HG3 GLU 27 HG3 GLU 27 41.469 -1.803 1.453 172 H CYS 28 H CYS 28 37.847 -3.580 4.226 173 HA CYS 28 HA CYS 28 36.908 -5.217 5.426 174 HB2 CYS 28 HB2 CYS 28 39.715 -6.307 5.840 175 HB3 CYS 28 HB3 CYS 28 38.213 -7.203 6.026 176 HG CYS 28 HG CYS 28 37.558 -6.877 3.259 177 H HIS 29 H HIS 29 36.905 -6.307 7.728 178 HA HIS 29 HA HIS 29 37.154 -4.134 9.641 179 HB2 HIS 29 HB2 HIS 29 35.971 -6.920 9.823 180 HB3 HIS 29 HB3 HIS 29 36.138 -5.890 11.245 181 HD1 HIS 29 HD1 HIS 29 34.135 -6.238 8.110 182 HD2 HIS 29 HD2 HIS 29 34.433 -3.623 11.315 183 HE1 HIS 29 HE1 HIS 29 32.111 -4.783 7.971 184 HE2 HIS 29 HE2 HIS 29 32.406 -3.103 9.812 185 H LEU 30 H LEU 30 38.817 -3.749 10.837 186 HA LEU 30 HA LEU 30 41.099 -5.576 10.906 187 HB2 LEU 30 HB2 LEU 30 40.910 -2.737 11.991 188 HB3 LEU 30 HB3 LEU 30 42.375 -3.646 11.655 189 HG LEU 30 HG LEU 30 40.424 -2.595 9.560 190 HD11 LEU 30 HD11 LEU 30 41.686 -0.777 10.613 191 HD12 LEU 30 HD12 LEU 30 42.188 -1.011 8.940 192 HD13 LEU 30 HD13 LEU 30 43.206 -1.605 10.254 193 HD21 LEU 30 HD21 LEU 30 42.093 -3.284 7.885 194 HD22 LEU 30 HD22 LEU 30 41.475 -4.664 8.784 195 HD23 LEU 30 HD23 LEU 30 43.076 -4.022 9.158 196 H CYS 31 H CYS 31 41.830 -6.581 12.758 197 HA CYS 31 HA CYS 31 40.564 -6.426 15.320 198 HB2 CYS 31 HB2 CYS 31 41.898 -8.395 14.729 199 HB3 CYS 31 HB3 CYS 31 43.313 -7.403 14.426 200 HA PRO 32 HA PRO 32 41.949 -2.077 15.581 201 HB2 PRO 32 HB2 PRO 32 41.195 -1.578 18.232 202 HB3 PRO 32 HB3 PRO 32 40.112 -1.510 16.837 203 HG2 PRO 32 HG2 PRO 32 40.576 -3.806 18.751 204 HG3 PRO 32 HG3 PRO 32 39.036 -3.142 18.153 205 HD2 PRO 32 HD2 PRO 32 40.020 -5.367 17.076 206 HD3 PRO 32 HD3 PRO 32 39.314 -4.126 16.014 207 H VAL 33 H VAL 33 43.211 -4.539 17.685 208 HA VAL 33 HA VAL 33 45.178 -2.882 19.031 209 HB VAL 33 HB VAL 33 45.125 -5.937 18.983 210 HG11 VAL 33 HG11 VAL 33 47.123 -4.928 20.001 211 HG12 VAL 33 HG12 VAL 33 46.142 -5.731 21.229 212 HG13 VAL 33 HG13 VAL 33 46.114 -3.971 21.086 213 HG21 VAL 33 HG21 VAL 33 43.468 -4.119 20.778 214 HG22 VAL 33 HG22 VAL 33 43.620 -5.869 20.958 215 HG23 VAL 33 HG23 VAL 33 42.846 -5.191 19.524 216 H CYS 34 H CYS 34 45.103 -5.076 16.252 217 HA CYS 34 HA CYS 34 47.835 -4.295 15.469 218 HB2 CYS 34 HB2 CYS 34 48.478 -6.558 14.908 219 HB3 CYS 34 HB3 CYS 34 47.891 -6.590 16.567 220 H GLY 35 H GLY 35 47.818 -3.546 13.400 221 HA2 GLY 35 HA2 GLY 35 45.526 -3.414 11.767 222 HA3 GLY 35 HA3 GLY 35 47.182 -3.130 11.231 223 H GLU 36 H GLU 36 44.518 -5.083 10.860 224 HA GLU 36 HA GLU 36 45.763 -7.134 9.301 225 HB2 GLU 36 HB2 GLU 36 46.321 -7.791 11.720 226 HB3 GLU 36 HB3 GLU 36 44.600 -8.021 11.995 227 HG2 GLU 36 HG2 GLU 36 44.562 -9.811 10.308 228 HG3 GLU 36 HG3 GLU 36 46.273 -9.550 9.969 229 H SER 37 H SER 37 44.258 -7.212 7.765 230 HA SER 37 HA SER 37 41.535 -6.427 8.093 231 HB2 SER 37 HB2 SER 37 42.997 -7.703 5.742 232 HB3 SER 37 HB3 SER 37 41.367 -7.029 5.664 233 HG SER 37 HG SER 37 42.286 -5.018 6.332 234 H PHE 38 H PHE 38 39.685 -7.669 8.214 235 HA PHE 38 HA PHE 38 39.804 -10.591 7.773 236 HB2 PHE 38 HB2 PHE 38 38.411 -9.242 10.136 237 HB3 PHE 38 HB3 PHE 38 38.304 -10.956 9.739 238 HD1 PHE 38 HD2 PHE 38 40.576 -12.274 9.654 239 HD2 PHE 38 HD1 PHE 38 40.094 -8.515 11.647 240 HE1 PHE 38 HE2 PHE 38 42.542 -12.751 11.047 241 HE2 PHE 38 HE1 PHE 38 42.068 -9.008 13.016 242 HZ PHE 38 HZ PHE 38 43.284 -11.121 12.731 243 H ALA 39 H ALA 39 38.246 -11.236 6.398 244 HA ALA 39 HA ALA 39 36.140 -9.418 5.521 245 HB1 ALA 39 HB1 ALA 39 37.386 -10.744 3.862 246 HB2 ALA 39 HB2 ALA 39 35.670 -11.147 3.829 247 HB3 ALA 39 HB3 ALA 39 36.818 -12.239 4.609 248 H SER 40 H SER 40 36.470 -12.182 7.645 249 HA SER 40 HA SER 40 33.561 -12.439 8.013 250 HB2 SER 40 HB2 SER 40 35.845 -14.104 9.149 251 HB3 SER 40 HB3 SER 40 34.132 -14.427 9.411 252 HG SER 40 HG SER 40 34.233 -14.340 6.893 253 H LYS 41 H LYS 41 32.546 -11.872 9.886 254 HA LYS 41 HA LYS 41 33.607 -9.941 11.657 255 HB2 LYS 41 HB2 LYS 41 31.078 -10.794 11.063 256 HB3 LYS 41 HB3 LYS 41 31.293 -11.673 12.563 257 HG2 LYS 41 HG2 LYS 41 31.450 -8.667 12.202 258 HG3 LYS 41 HG3 LYS 41 30.101 -9.555 12.902 259 HD2 LYS 41 HD2 LYS 41 31.525 -10.225 14.812 260 HD3 LYS 41 HD3 LYS 41 32.904 -9.395 14.087 261 HE2 LYS 41 HE2 LYS 41 31.678 -7.237 14.267 262 HE3 LYS 41 HE3 LYS 41 30.331 -8.080 15.036 263 HZ1 LYS 41 HZ1 LYS 41 31.787 -8.677 16.865 264 HZ2 LYS 41 HZ2 LYS 41 31.800 -7.001 16.656 265 HZ3 LYS 41 HZ3 LYS 41 33.103 -7.931 16.113 266 H GLY 42 H GLY 42 33.033 -13.446 11.973 267 HA2 GLY 42 HA2 GLY 42 33.924 -13.852 14.613 268 HA3 GLY 42 HA3 GLY 42 33.820 -15.079 13.365 269 H ALA 43 H ALA 43 35.719 -13.641 11.600 270 HA ALA 43 HA ALA 43 38.196 -14.715 12.574 271 HB1 ALA 43 HB1 ALA 43 37.657 -14.682 10.174 272 HB2 ALA 43 HB2 ALA 43 39.165 -13.828 10.496 273 HB3 ALA 43 HB3 ALA 43 37.687 -12.915 10.179 274 H GLN 44 H GLN 44 36.726 -11.508 12.510 275 HA GLN 44 HA GLN 44 38.993 -10.031 13.455 276 HB2 GLN 44 HB2 GLN 44 37.031 -8.964 12.338 277 HB3 GLN 44 HB3 GLN 44 36.015 -9.407 13.706 278 HG2 GLN 44 HG2 GLN 44 37.572 -7.979 15.154 279 HG3 GLN 44 HG3 GLN 44 38.286 -7.401 13.647 280 HE21 GLN 44 HE21 GLN 44 37.616 -5.285 13.920 281 HE22 GLN 44 HE22 GLN 44 35.968 -4.786 13.850 282 H GLU 45 H GLU 45 36.156 -11.497 14.989 283 HA GLU 45 HA GLU 45 36.570 -10.664 17.638 284 HB2 GLU 45 HB2 GLU 45 35.106 -13.139 16.632 285 HB3 GLU 45 HB3 GLU 45 34.961 -12.469 18.255 286 HG2 GLU 45 HG2 GLU 45 34.125 -11.105 15.686 287 HG3 GLU 45 HG3 GLU 45 33.050 -11.877 16.842 288 H ARG 46 H ARG 46 37.748 -13.534 15.903 289 HA ARG 46 HA ARG 46 38.605 -14.935 18.231 290 HB2 ARG 46 HB2 ARG 46 39.721 -16.492 16.778 291 HB3 ARG 46 HB3 ARG 46 38.174 -16.067 16.059 292 HG2 ARG 46 HG2 ARG 46 39.297 -14.588 14.464 293 HG3 ARG 46 HG3 ARG 46 40.855 -14.940 15.214 294 HD2 ARG 46 HD2 ARG 46 39.063 -16.927 13.783 295 HD3 ARG 46 HD3 ARG 46 40.581 -16.257 13.181 296 HE ARG 46 HE ARG 46 41.649 -17.372 15.178 297 HH11 ARG 46 HH11 ARG 46 38.742 -18.695 13.728 298 HH12 ARG 46 HH12 ARG 46 39.058 -20.310 14.274 299 HH21 ARG 46 HH21 ARG 46 42.057 -19.512 15.867 300 HH22 ARG 46 HH22 ARG 46 40.923 -20.771 15.483 301 H HIS 47 H HIS 47 40.259 -12.571 16.104 302 HA HIS 47 HA HIS 47 42.834 -13.021 17.306 303 HB2 HIS 47 HB2 HIS 47 42.110 -11.624 15.019 304 HB3 HIS 47 HB3 HIS 47 42.473 -10.289 16.107 305 HD2 HIS 47 HD2 HIS 47 44.171 -13.234 14.296 306 HE1 HIS 47 HE1 HIS 47 47.225 -11.216 16.357 307 HE2 HIS 47 HE2 HIS 47 46.698 -12.939 14.608 308 H LEU 48 H LEU 48 40.045 -11.178 18.168 309 HA LEU 48 HA LEU 48 41.422 -9.533 20.130 310 HB2 LEU 48 HB2 LEU 48 38.488 -9.879 19.410 311 HB3 LEU 48 HB3 LEU 48 39.060 -8.762 20.644 312 HG LEU 48 HG LEU 48 39.861 -8.638 17.706 313 HD11 LEU 48 HD11 LEU 48 37.487 -8.090 17.936 314 HD12 LEU 48 HD12 LEU 48 38.427 -6.656 17.525 315 HD13 LEU 48 HD13 LEU 48 37.868 -6.894 19.182 316 HD21 LEU 48 HD21 LEU 48 40.848 -6.458 18.261 317 HD22 LEU 48 HD22 LEU 48 41.594 -7.735 19.212 318 HD23 LEU 48 HD23 LEU 48 40.405 -6.666 19.957 319 H ARG 49 H ARG 49 38.664 -11.831 20.477 320 HA ARG 49 HA ARG 49 38.825 -11.811 23.280 321 HB2 ARG 49 HB2 ARG 49 37.000 -13.380 23.288 322 HB3 ARG 49 HB3 ARG 49 36.742 -12.226 21.998 323 HG2 ARG 49 HG2 ARG 49 36.166 -14.090 20.813 324 HG3 ARG 49 HG3 ARG 49 37.906 -14.214 20.557 325 HD2 ARG 49 HD2 ARG 49 38.099 -15.794 22.419 326 HD3 ARG 49 HD3 ARG 49 36.376 -15.618 22.780 327 HE ARG 49 HE ARG 49 36.966 -16.510 20.089 328 HH11 ARG 49 HH11 ARG 49 36.294 -17.559 23.370 329 HH12 ARG 49 HH12 ARG 49 35.761 -19.133 22.886 330 HH21 ARG 49 HH21 ARG 49 36.282 -18.587 19.467 331 HH22 ARG 49 HH22 ARG 49 35.744 -19.718 20.668 332 H LEU 50 H LEU 50 40.399 -13.908 20.964 333 HA LEU 50 HA LEU 50 41.288 -15.813 23.000 334 HB2 LEU 50 HB2 LEU 50 42.175 -15.506 20.102 335 HB3 LEU 50 HB3 LEU 50 42.638 -16.820 21.169 336 HG LEU 50 HG LEU 50 39.805 -16.272 20.187 337 HD11 LEU 50 HD11 LEU 50 40.059 -18.302 18.819 338 HD12 LEU 50 HD12 LEU 50 41.741 -18.452 19.335 339 HD13 LEU 50 HD13 LEU 50 41.234 -17.070 18.361 340 HD21 LEU 50 HD21 LEU 50 40.862 -18.584 21.847 341 HD22 LEU 50 HD22 LEU 50 39.235 -18.457 21.176 342 HD23 LEU 50 HD23 LEU 50 39.769 -17.308 22.397 343 H LEU 51 H LEU 51 42.917 -13.443 20.828 344 HA LEU 51 HA LEU 51 45.427 -13.848 22.329 345 HB2 LEU 51 HB2 LEU 51 45.013 -12.584 19.601 346 HB3 LEU 51 HB3 LEU 51 46.553 -13.017 20.330 347 HG LEU 51 HG LEU 51 44.397 -14.947 19.380 348 HD11 LEU 51 HD11 LEU 51 47.186 -14.443 18.310 349 HD12 LEU 51 HD12 LEU 51 45.668 -13.971 17.542 350 HD13 LEU 51 HD13 LEU 51 46.063 -15.678 17.734 351 HD21 LEU 51 HD21 LEU 51 45.419 -15.885 21.394 352 HD22 LEU 51 HD22 LEU 51 47.037 -15.604 20.745 353 HD23 LEU 51 HD23 LEU 51 45.966 -16.775 19.975 354 H HIS 52 H HIS 52 43.512 -11.181 20.955 355 HA HIS 52 HA HIS 52 45.138 -9.186 22.401 356 HB2 HIS 52 HB2 HIS 52 43.838 -9.179 19.663 357 HB3 HIS 52 HB3 HIS 52 44.061 -7.640 20.487 358 HD2 HIS 52 HD2 HIS 52 47.044 -8.882 21.742 359 HE1 HIS 52 HE1 HIS 52 48.130 -7.922 17.801 360 HE2 HIS 52 HE2 HIS 52 48.970 -8.446 20.109 361 H ALA 53 H ALA 53 43.434 -10.310 23.956 362 HA ALA 53 HA ALA 53 40.754 -9.249 23.956 363 HB1 ALA 53 HB1 ALA 53 42.206 -10.894 26.057 364 HB2 ALA 53 HB2 ALA 53 41.261 -11.538 24.714 365 HB3 ALA 53 HB3 ALA 53 40.465 -10.602 25.979 366 H ALA 54 H ALA 54 43.702 -8.006 25.013 367 HA ALA 54 HA ALA 54 43.152 -6.868 27.514 368 HB1 ALA 54 HB1 ALA 54 45.145 -5.484 27.110 369 HB2 ALA 54 HB2 ALA 54 45.103 -5.907 25.397 370 HB3 ALA 54 HB3 ALA 54 45.423 -7.152 26.602 371 H GLN 55 H GLN 55 42.624 -5.589 24.245 372 HA GLN 55 HA GLN 55 41.874 -2.934 25.237 373 HB2 GLN 55 HB2 GLN 55 42.182 -4.008 22.407 374 HB3 GLN 55 HB3 GLN 55 41.756 -2.343 22.791 375 HG2 GLN 55 HG2 GLN 55 44.334 -3.700 23.642 376 HG3 GLN 55 HG3 GLN 55 44.168 -2.662 22.229 377 HE21 GLN 55 HE21 GLN 55 45.839 -2.368 24.666 378 HE22 GLN 55 HE22 GLN 55 45.440 -0.816 25.316 379 H VAL 56 H VAL 56 40.254 -5.837 24.514 380 HA VAL 56 HA VAL 56 37.680 -4.433 24.024 381 HB VAL 56 HB VAL 56 36.788 -6.600 23.188 382 HG11 VAL 56 HG11 VAL 56 38.020 -6.665 21.040 383 HG12 VAL 56 HG12 VAL 56 39.318 -5.707 21.756 384 HG13 VAL 56 HG13 VAL 56 37.707 -5.011 21.569 385 HG21 VAL 56 HG21 VAL 56 38.306 -8.509 22.709 386 HG22 VAL 56 HG22 VAL 56 38.200 -8.185 24.439 387 HG23 VAL 56 HG23 VAL 56 39.623 -7.667 23.534 388 H PHE 57 H PHE 57 35.777 -5.755 24.940 389 HA PHE 57 HA PHE 57 36.262 -6.572 27.742 390 HB2 PHE 57 HB2 PHE 57 34.050 -4.656 26.835 391 HB3 PHE 57 HB3 PHE 57 34.344 -5.202 28.483 392 HD1 PHE 57 HD2 PHE 57 36.292 -4.316 29.764 393 HD2 PHE 57 HD1 PHE 57 35.382 -2.876 25.836 394 HE1 PHE 57 HE2 PHE 57 37.754 -2.372 30.132 395 HE2 PHE 57 HE1 PHE 57 36.851 -0.940 26.211 396 HZ PHE 57 HZ PHE 57 38.037 -0.684 28.357 397 HA PRO 58 HA PRO 58 33.405 -9.686 25.756 398 HB2 PRO 58 HB2 PRO 58 34.513 -11.903 26.935 399 HB3 PRO 58 HB3 PRO 58 35.137 -11.213 25.429 400 HG2 PRO 58 HG2 PRO 58 36.141 -10.844 28.249 401 HG3 PRO 58 HG3 PRO 58 37.069 -11.144 26.761 402 HD2 PRO 58 HD2 PRO 58 36.800 -8.648 27.847 403 HD3 PRO 58 HD3 PRO 58 36.949 -8.909 26.093 404 H CYS 59 H CYS 59 31.446 -9.843 26.753 405 HA CYS 59 HA CYS 59 30.778 -9.402 29.414 406 HB2 CYS 59 HB2 CYS 59 29.075 -9.510 27.639 407 HB3 CYS 59 HB3 CYS 59 29.389 -11.224 27.399 408 H LYS 60 H LYS 60 31.618 -10.342 31.061 409 HA LYS 60 HA LYS 60 33.610 -12.141 30.994 410 HB2 LYS 60 HB2 LYS 60 33.338 -12.225 33.522 411 HB3 LYS 60 HB3 LYS 60 33.401 -10.625 32.798 412 HG2 LYS 60 HG2 LYS 60 30.871 -10.563 32.895 413 HG3 LYS 60 HG3 LYS 60 30.930 -12.063 33.821 414 HD2 LYS 60 HD2 LYS 60 32.109 -9.375 34.632 415 HD3 LYS 60 HD3 LYS 60 30.710 -10.181 35.351 416 HE2 LYS 60 HE2 LYS 60 32.147 -12.005 36.137 417 HE3 LYS 60 HE3 LYS 60 33.547 -11.242 35.379 418 HZ1 LYS 60 HZ1 LYS 60 31.934 -10.058 37.577 419 HZ2 LYS 60 HZ2 LYS 60 33.286 -9.356 36.856 420 HZ3 LYS 60 HZ3 LYS 60 33.453 -10.776 37.753 421 H TYR 61 H TYR 61 30.243 -13.071 31.573 422 HA TYR 61 HA TYR 61 30.987 -15.773 32.407 423 HB2 TYR 61 HB2 TYR 61 28.213 -14.591 32.045 424 HB3 TYR 61 HB3 TYR 61 28.604 -16.095 32.867 425 HD1 TYR 61 HD2 TYR 61 30.463 -15.717 34.855 426 HD2 TYR 61 HD1 TYR 61 27.695 -12.775 33.440 427 HE1 TYR 61 HE2 TYR 61 30.618 -14.525 36.996 428 HE2 TYR 61 HE1 TYR 61 27.855 -11.590 35.585 429 HH TYR 61 HH TYR 61 28.454 -12.206 37.981 430 H CYS 62 H CYS 62 29.921 -14.206 29.440 431 HA CYS 62 HA CYS 62 29.674 -16.841 28.116 432 HB2 CYS 62 HB2 CYS 62 27.718 -16.239 26.904 433 HB3 CYS 62 HB3 CYS 62 27.391 -15.723 28.551 434 HA PRO 63 HA PRO 63 32.711 -15.067 25.278 435 HB2 PRO 63 HB2 PRO 63 32.309 -16.737 23.099 436 HB3 PRO 63 HB3 PRO 63 33.225 -17.198 24.540 437 HG2 PRO 63 HG2 PRO 63 30.339 -17.781 23.865 438 HG3 PRO 63 HG3 PRO 63 31.578 -18.883 24.509 439 HD2 PRO 63 HD2 PRO 63 29.734 -17.784 26.125 440 HD3 PRO 63 HD3 PRO 63 31.408 -17.995 26.684 441 H ALA 64 H ALA 64 31.826 -13.034 24.968 442 HA ALA 64 HA ALA 64 30.824 -12.410 22.333 443 HB1 ALA 64 HB1 ALA 64 28.797 -11.182 23.090 444 HB2 ALA 64 HB2 ALA 64 29.068 -11.755 24.738 445 HB3 ALA 64 HB3 ALA 64 28.679 -12.906 23.461 446 H THR 65 H THR 65 32.288 -10.840 21.845 447 HA THR 65 HA THR 65 33.434 -9.199 23.982 448 HB THR 65 HB THR 65 34.881 -8.434 21.775 449 HG1 THR 65 HG1 THR 65 34.183 -9.695 20.203 450 HG21 THR 65 HG21 THR 65 35.353 -10.978 23.367 451 HG22 THR 65 HG22 THR 65 35.843 -9.351 23.844 452 HG23 THR 65 HG23 THR 65 36.568 -10.106 22.425 453 H PHE 66 H PHE 66 33.159 -7.140 24.260 454 HA PHE 66 HA PHE 66 31.843 -5.422 22.229 455 HB2 PHE 66 HB2 PHE 66 31.730 -5.136 25.288 456 HB3 PHE 66 HB3 PHE 66 30.931 -4.093 24.113 457 HD1 PHE 66 HD1 PHE 66 30.859 -7.410 25.765 458 HD2 PHE 66 HD2 PHE 66 28.854 -4.809 23.011 459 HE1 PHE 66 HE1 PHE 66 28.845 -8.821 25.881 460 HE2 PHE 66 HE2 PHE 66 26.852 -6.229 23.138 461 HZ PHE 66 HZ PHE 66 26.842 -8.234 24.571 462 H TYR 67 H TYR 67 33.193 -3.827 21.534 463 HA TYR 67 HA TYR 67 35.793 -3.412 22.765 464 HB2 TYR 67 HB2 TYR 67 35.414 -3.471 20.261 465 HB3 TYR 67 HB3 TYR 67 34.536 -1.951 20.391 466 HD1 TYR 67 HD1 TYR 67 37.831 -3.205 21.754 467 HD2 TYR 67 HD2 TYR 67 35.832 -0.187 19.485 468 HE1 TYR 67 HE1 TYR 67 39.946 -2.000 21.492 469 HE2 TYR 67 HE2 TYR 67 37.953 1.025 19.229 470 HH TYR 67 HH TYR 67 40.128 1.212 20.392 471 H SER 68 H SER 68 32.917 -2.387 23.788 472 HA SER 68 HA SER 68 33.985 0.104 24.950 473 HB2 SER 68 HB2 SER 68 31.120 -0.389 24.043 474 HB3 SER 68 HB3 SER 68 31.685 1.047 24.900 475 HG SER 68 HG SER 68 33.205 0.550 22.717 476 H SER 69 H SER 69 33.415 0.510 27.071 477 HA SER 69 HA SER 69 33.264 -1.719 28.803 478 HB2 SER 69 HB2 SER 69 32.957 1.231 29.503 479 HB3 SER 69 HB3 SER 69 33.396 -0.075 30.611 480 HG SER 69 HG SER 69 35.356 -0.164 29.761 481 HA PRO 70 HA PRO 70 28.766 -0.127 30.073 482 HB2 PRO 70 HB2 PRO 70 27.213 1.051 28.121 483 HB3 PRO 70 HB3 PRO 70 28.194 1.964 29.276 484 HG2 PRO 70 HG2 PRO 70 28.856 1.170 26.440 485 HG3 PRO 70 HG3 PRO 70 29.063 2.748 27.234 486 HD2 PRO 70 HD2 PRO 70 31.142 1.058 26.930 487 HD3 PRO 70 HD3 PRO 70 30.979 2.049 28.393 488 H GLY 71 H GLY 71 29.174 -1.128 26.646 489 HA2 GLY 71 HA2 GLY 71 26.900 -2.773 26.379 490 HA3 GLY 71 HA3 GLY 71 28.375 -2.916 25.440 491 H LEU 72 H LEU 72 30.108 -3.475 27.637 492 HA LEU 72 HA LEU 72 30.164 -6.219 27.964 493 HB2 LEU 72 HB2 LEU 72 32.092 -4.895 28.490 494 HB3 LEU 72 HB3 LEU 72 31.202 -3.919 29.637 495 HG LEU 72 HG LEU 72 31.108 -5.895 31.203 496 HD11 LEU 72 HD11 LEU 72 32.593 -7.797 30.834 497 HD12 LEU 72 HD12 LEU 72 32.997 -7.190 29.225 498 HD13 LEU 72 HD13 LEU 72 31.346 -7.695 29.593 499 HD21 LEU 72 HD21 LEU 72 33.890 -4.981 30.387 500 HD22 LEU 72 HD22 LEU 72 33.455 -5.722 31.932 501 HD23 LEU 72 HD23 LEU 72 32.795 -4.148 31.495 502 H THR 73 H THR 73 28.969 -3.837 30.337 503 HA THR 73 HA THR 73 27.972 -5.764 32.207 504 HB THR 73 HB THR 73 27.362 -2.769 32.026 505 HG1 THR 73 HG1 THR 73 29.436 -4.081 33.490 506 HG21 THR 73 HG21 THR 73 27.273 -4.661 34.426 507 HG22 THR 73 HG22 THR 73 25.869 -3.958 33.623 508 HG23 THR 73 HG23 THR 73 27.001 -2.914 34.482 509 H ARG 74 H ARG 74 26.556 -3.917 29.548 510 HA ARG 74 HA ARG 74 23.843 -4.171 30.372 511 HB2 ARG 74 HB2 ARG 74 25.096 -3.288 27.763 512 HB3 ARG 74 HB3 ARG 74 23.348 -3.450 27.928 513 HG2 ARG 74 HG2 ARG 74 23.442 -1.847 29.864 514 HG3 ARG 74 HG3 ARG 74 25.155 -1.602 29.517 515 HD2 ARG 74 HD2 ARG 74 22.870 -1.027 27.601 516 HD3 ARG 74 HD3 ARG 74 23.740 0.183 28.552 517 HE ARG 74 HE ARG 74 25.174 -1.517 26.605 518 HH11 ARG 74 HH11 ARG 74 24.216 1.685 27.665 519 HH12 ARG 74 HH12 ARG 74 25.250 2.497 26.537 520 HH21 ARG 74 HH21 ARG 74 26.533 -0.429 25.149 521 HH22 ARG 74 HH22 ARG 74 26.550 1.303 25.121 522 H HIS 75 H HIS 75 25.901 -6.415 28.590 523 HA HIS 75 HA HIS 75 23.756 -7.904 27.437 524 HB2 HIS 75 HB2 HIS 75 26.271 -8.287 26.900 525 HB3 HIS 75 HB3 HIS 75 26.338 -9.258 28.374 526 HD2 HIS 75 HD2 HIS 75 24.444 -9.209 24.945 527 HE1 HIS 75 HE1 HIS 75 23.974 -13.056 26.577 528 HE2 HIS 75 HE2 HIS 75 23.617 -11.611 24.550 529 H ILE 76 H ILE 76 25.350 -7.917 30.541 530 HA ILE 76 HA ILE 76 24.155 -10.239 31.678 531 HB ILE 76 HB ILE 76 25.345 -7.846 33.164 532 HG12 ILE 76 HG12 ILE 76 26.884 -10.289 32.128 533 HG13 ILE 76 HG13 ILE 76 26.887 -8.719 31.341 534 HG21 ILE 76 HG21 ILE 76 25.912 -9.495 34.928 535 HG22 ILE 76 HG22 ILE 76 25.142 -10.779 33.993 536 HG23 ILE 76 HG23 ILE 76 24.175 -9.449 34.636 537 HD11 ILE 76 HD11 ILE 76 27.982 -9.338 34.083 538 HD12 ILE 76 HD12 ILE 76 27.929 -7.732 33.344 539 HD13 ILE 76 HD13 ILE 76 28.899 -9.009 32.613 540 H ASN 77 H ASN 77 23.397 -6.783 31.698 541 HA ASN 77 HA ASN 77 21.188 -6.954 33.529 542 HB2 ASN 77 HB2 ASN 77 22.104 -4.726 31.658 543 HB3 ASN 77 HB3 ASN 77 20.770 -4.558 32.799 544 HD21 ASN 77 HD21 ASN 77 21.802 -2.902 33.931 545 HD22 ASN 77 HD22 ASN 77 23.170 -3.179 34.950 546 H LYS 78 H LYS 78 21.491 -7.130 30.006 547 HA LYS 78 HA LYS 78 18.705 -6.479 29.497 548 HB2 LYS 78 HB2 LYS 78 20.383 -5.702 27.910 549 HB3 LYS 78 HB3 LYS 78 20.946 -7.346 27.633 550 HG2 LYS 78 HG2 LYS 78 18.741 -7.906 26.610 551 HG3 LYS 78 HG3 LYS 78 18.230 -6.232 26.846 552 HD2 LYS 78 HD2 LYS 78 20.087 -5.475 25.372 553 HD3 LYS 78 HD3 LYS 78 20.559 -7.159 25.118 554 HE2 LYS 78 HE2 LYS 78 18.448 -7.631 24.003 555 HE3 LYS 78 HE3 LYS 78 17.844 -6.014 24.376 556 HZ1 LYS 78 HZ1 LYS 78 19.602 -5.094 22.989 557 HZ2 LYS 78 HZ2 LYS 78 18.610 -6.141 22.114 558 HZ3 LYS 78 HZ3 LYS 78 20.142 -6.652 22.605 559 H CYS 79 H CYS 79 20.730 -9.398 28.817 560 HA CYS 79 HA CYS 79 18.285 -11.054 28.733 561 HB2 CYS 79 HB2 CYS 79 18.690 -10.117 26.433 562 HB3 CYS 79 HB3 CYS 79 20.250 -10.928 26.407 563 HG CYS 79 HG CYS 79 18.232 -13.281 27.164 564 H HIS 80 H HIS 80 21.162 -10.771 30.110 565 HA HIS 80 HA HIS 80 21.696 -13.698 30.101 566 HB2 HIS 80 HB2 HIS 80 23.578 -12.190 29.231 567 HB3 HIS 80 HB3 HIS 80 23.681 -11.500 30.837 568 HD2 HIS 80 HD2 HIS 80 23.403 -14.748 32.131 569 HE1 HIS 80 HE1 HIS 80 27.262 -14.886 30.468 570 HE2 HIS 80 HE2 HIS 80 25.680 -15.936 32.124 571 HA PRO 81 HA PRO 81 19.989 -12.499 34.259 572 HB2 PRO 81 HB2 PRO 81 17.997 -14.276 34.461 573 HB3 PRO 81 HB3 PRO 81 17.855 -12.934 33.313 574 HG2 PRO 81 HG2 PRO 81 18.618 -15.806 32.789 575 HG3 PRO 81 HG3 PRO 81 17.504 -14.761 31.879 576 HD2 PRO 81 HD2 PRO 81 20.176 -15.208 31.191 577 HD3 PRO 81 HD3 PRO 81 19.223 -13.805 30.664 578 H SER 82 H SER 82 19.241 -14.331 36.081 579 HA SER 82 HA SER 82 19.677 -16.036 37.476 580 HB2 SER 82 HB2 SER 82 21.526 -17.196 35.342 581 HB3 SER 82 HB3 SER 82 20.891 -18.056 36.749 582 HG SER 82 HG SER 82 19.162 -16.832 34.880 583 H GLU 83 H GLU 83 22.190 -14.058 36.293 584 HA GLU 83 HA GLU 83 24.262 -14.868 38.116 585 HB2 GLU 83 HB2 GLU 83 24.133 -12.384 36.345 586 HB3 GLU 83 HB3 GLU 83 25.573 -13.068 37.091 587 HG2 GLU 83 HG2 GLU 83 23.933 -14.277 34.841 588 HG3 GLU 83 HG3 GLU 83 25.558 -13.606 34.720 589 H ASN 84 H ASN 84 24.461 -14.163 40.130 590 HA ASN 84 HA ASN 84 24.520 -12.926 42.009 591 HB2 ASN 84 HB2 ASN 84 25.341 -11.061 40.609 592 HB3 ASN 84 HB3 ASN 84 23.690 -10.594 40.224 593 HD21 ASN 84 HD21 ASN 84 23.790 -8.546 41.105 594 HD22 ASN 84 HD22 ASN 84 23.986 -8.236 42.794 595 H ARG 85 H ARG 85 23.029 -13.480 43.496 596 HA ARG 85 HA ARG 85 20.413 -12.132 43.418 597 HB2 ARG 85 HB2 ARG 85 19.210 -14.116 44.278 598 HB3 ARG 85 HB3 ARG 85 19.864 -14.383 42.677 599 HG2 ARG 85 HG2 ARG 85 21.161 -15.460 45.203 600 HG3 ARG 85 HG3 ARG 85 19.971 -16.367 44.274 601 HD2 ARG 85 HD2 ARG 85 21.481 -16.369 42.330 602 HD3 ARG 85 HD3 ARG 85 22.654 -15.396 43.231 603 HE ARG 85 HE ARG 85 22.278 -17.564 44.827 604 HH11 ARG 85 HH11 ARG 85 23.198 -17.276 41.462 605 HH12 ARG 85 HH12 ARG 85 24.137 -18.731 41.473 606 HH21 ARG 85 HH21 ARG 85 23.524 -19.471 44.831 607 HH22 ARG 85 HH22 ARG 85 24.345 -19.961 43.380 Start of MODEL 15 1 H1 MET 1 H1 MET 1 79.582 26.598 61.435 2 H2 MET 1 H2 MET 1 80.991 26.046 62.190 3 H3 MET 1 H3 MET 1 79.797 24.951 61.721 4 HA MET 1 HA MET 1 81.355 26.642 59.880 5 HB2 MET 1 HB2 MET 1 81.632 23.678 60.549 6 HB3 MET 1 HB3 MET 1 82.435 24.451 59.184 7 HG2 MET 1 HG2 MET 1 83.988 24.190 61.029 8 HG3 MET 1 HG3 MET 1 83.670 25.906 60.759 9 HE1 MET 1 HE1 MET 1 84.205 25.760 64.648 10 HE2 MET 1 HE2 MET 1 84.705 26.520 63.140 11 HE3 MET 1 HE3 MET 1 85.066 24.816 63.430 12 H GLY 2 H GLY 2 81.151 25.776 57.626 13 HA2 GLY 2 HA2 GLY 2 79.304 24.176 56.483 14 HA3 GLY 2 HA3 GLY 2 78.342 25.585 56.930 15 H HIS 3 H HIS 3 81.160 24.522 55.091 16 HA HIS 3 HA HIS 3 81.086 26.994 53.448 17 HB2 HIS 3 HB2 HIS 3 83.178 26.547 54.824 18 HB3 HIS 3 HB3 HIS 3 83.445 25.100 53.863 19 HD1 HIS 3 HD1 HIS 3 85.530 25.754 52.603 20 HD2 HIS 3 HD2 HIS 3 82.603 28.694 52.399 21 HE1 HIS 3 HE1 HIS 3 86.401 27.470 51.007 22 HE2 HIS 3 HE2 HIS 3 84.558 29.166 50.789 23 H HIS 4 H HIS 4 80.131 23.810 53.350 24 HA HIS 4 HA HIS 4 81.148 22.878 50.829 25 HB2 HIS 4 HB2 HIS 4 78.727 21.904 52.424 26 HB3 HIS 4 HB3 HIS 4 79.436 21.072 51.045 27 HD1 HIS 4 HD1 HIS 4 81.066 19.312 51.615 28 HD2 HIS 4 HD2 HIS 4 80.673 22.080 54.693 29 HE1 HIS 4 HE1 HIS 4 82.403 18.402 53.523 30 HE2 HIS 4 HE2 HIS 4 82.048 20.017 55.410 31 H HIS 5 H HIS 5 80.635 23.930 49.007 32 HA HIS 5 HA HIS 5 77.846 24.797 48.494 33 HB2 HIS 5 HB2 HIS 5 80.442 26.018 47.443 34 HB3 HIS 5 HB3 HIS 5 78.826 26.524 46.955 35 HD1 HIS 5 HD1 HIS 5 81.352 27.815 48.900 36 HD2 HIS 5 HD2 HIS 5 77.355 27.074 49.730 37 HE1 HIS 5 HE1 HIS 5 80.802 29.217 50.895 38 HE2 HIS 5 HE2 HIS 5 78.381 28.770 51.379 39 H HIS 6 H HIS 6 76.949 23.253 47.292 40 HA HIS 6 HA HIS 6 78.488 21.965 45.094 41 HB2 HIS 6 HB2 HIS 6 76.365 20.883 46.973 42 HB3 HIS 6 HB3 HIS 6 76.571 20.152 45.386 43 HD1 HIS 6 HD1 HIS 6 77.849 18.075 45.634 44 HD2 HIS 6 HD2 HIS 6 79.309 21.043 48.156 45 HE1 HIS 6 HE1 HIS 6 79.865 17.089 46.753 46 HE2 HIS 6 HE2 HIS 6 80.601 18.824 48.403 47 H HIS 7 H HIS 7 77.699 21.994 43.080 48 HA HIS 7 HA HIS 7 75.127 23.333 42.508 49 HB2 HIS 7 HB2 HIS 7 77.514 22.770 40.694 50 HB3 HIS 7 HB3 HIS 7 76.042 23.599 40.197 51 HD1 HIS 7 HD1 HIS 7 79.224 24.636 40.524 52 HD2 HIS 7 HD2 HIS 7 75.847 25.774 42.673 53 HE1 HIS 7 HE1 HIS 7 79.744 26.887 41.493 54 HE2 HIS 7 HE2 HIS 7 77.756 27.485 42.894 55 H HIS 8 H HIS 8 74.259 22.387 40.253 56 HA HIS 8 HA HIS 8 74.424 19.486 40.068 57 HB2 HIS 8 HB2 HIS 8 71.951 19.154 40.280 58 HB3 HIS 8 HB3 HIS 8 72.689 19.697 41.786 59 HD1 HIS 8 HD1 HIS 8 69.788 20.248 39.824 60 HD2 HIS 8 HD2 HIS 8 72.311 22.758 41.978 61 HE1 HIS 8 HE1 HIS 8 68.477 22.334 40.254 62 HE2 HIS 8 HE2 HIS 8 69.952 23.767 41.684 63 H SER 9 H SER 9 74.358 18.900 38.004 64 HA SER 9 HA SER 9 73.105 20.627 35.951 65 HB2 SER 9 HB2 SER 9 75.700 19.053 35.684 66 HB3 SER 9 HB3 SER 9 74.952 20.034 34.427 67 HG SER 9 HG SER 9 75.133 21.743 36.210 68 H HIS 10 H HIS 10 71.865 19.599 34.470 69 HA HIS 10 HA HIS 10 71.945 16.760 33.941 70 HB2 HIS 10 HB2 HIS 10 70.596 16.690 35.984 71 HB3 HIS 10 HB3 HIS 10 69.560 17.986 35.404 72 HD1 HIS 10 HD1 HIS 10 67.422 17.237 34.385 73 HD2 HIS 10 HD2 HIS 10 70.297 14.238 34.286 74 HE1 HIS 10 HE1 HIS 10 66.260 15.216 33.462 75 HE2 HIS 10 HE2 HIS 10 68.048 13.460 33.286 76 H MET 11 H MET 11 72.161 17.173 31.801 77 HA MET 11 HA MET 11 69.937 18.252 30.283 78 HB2 MET 11 HB2 MET 11 71.245 20.300 30.849 79 HB3 MET 11 HB3 MET 11 72.683 19.577 30.148 80 HG2 MET 11 HG2 MET 11 71.610 19.587 27.932 81 HG3 MET 11 HG3 MET 11 70.161 20.297 28.638 82 HE1 MET 11 HE1 MET 11 71.549 23.847 29.758 83 HE2 MET 11 HE2 MET 11 71.512 22.400 30.762 84 HE3 MET 11 HE3 MET 11 70.128 22.801 29.742 85 H GLY 12 H GLY 12 69.675 16.646 28.859 86 HA2 GLY 12 HA2 GLY 12 71.587 15.978 26.868 87 HA3 GLY 12 HA3 GLY 12 71.516 14.694 28.070 88 H ASP 13 H ASP 13 69.730 16.467 25.632 89 HA ASP 13 HA ASP 13 68.049 14.178 25.045 90 HB2 ASP 13 HB2 ASP 13 66.751 15.307 26.844 91 HB3 ASP 13 HB3 ASP 13 66.800 16.825 25.952 92 H GLY 14 H GLY 14 67.356 14.184 22.910 93 HA2 GLY 14 HA2 GLY 14 66.680 16.003 21.116 94 HA3 GLY 14 HA3 GLY 14 68.412 16.293 21.145 95 H GLU 15 H GLU 15 65.941 13.836 20.552 96 HA GLU 15 HA GLU 15 67.764 12.424 18.682 97 HB2 GLU 15 HB2 GLU 15 65.228 11.434 20.057 98 HB3 GLU 15 HB3 GLU 15 66.126 10.518 18.853 99 HG2 GLU 15 HG2 GLU 15 68.121 10.543 20.352 100 HG3 GLU 15 HG3 GLU 15 67.163 11.368 21.576 101 H GLY 16 H GLY 16 66.905 11.779 16.630 102 HA2 GLY 16 HA2 GLY 16 65.048 13.693 15.428 103 HA3 GLY 16 HA3 GLY 16 66.047 12.513 14.591 104 H ALA 17 H ALA 17 63.085 13.206 14.532 105 HA ALA 17 HA ALA 17 62.095 10.423 14.558 106 HB1 ALA 17 HB1 ALA 17 59.870 11.192 15.340 107 HB2 ALA 17 HB2 ALA 17 60.498 12.834 15.513 108 HB3 ALA 17 HB3 ALA 17 61.124 11.540 16.534 109 H GLY 18 H GLY 18 61.822 9.927 12.451 110 HA2 GLY 18 HA2 GLY 18 60.461 11.815 10.629 111 HA3 GLY 18 HA3 GLY 18 62.048 11.195 10.191 112 H VAL 19 H VAL 19 59.557 9.371 11.881 113 HA VAL 19 HA VAL 19 59.563 7.306 9.775 114 HB VAL 19 HB VAL 19 58.464 5.846 11.452 115 HG11 VAL 19 HG11 VAL 19 60.921 7.251 12.553 116 HG12 VAL 19 HG12 VAL 19 60.912 5.918 11.398 117 HG13 VAL 19 HG13 VAL 19 60.345 5.656 13.048 118 HG21 VAL 19 HG21 VAL 19 57.130 7.535 12.685 119 HG22 VAL 19 HG22 VAL 19 58.607 8.227 13.359 120 HG23 VAL 19 HG23 VAL 19 58.121 6.589 13.796 121 H LEU 20 H LEU 20 57.427 6.156 9.478 122 HA LEU 20 HA LEU 20 55.127 8.001 9.261 123 HB2 LEU 20 HB2 LEU 20 54.519 6.570 7.179 124 HB3 LEU 20 HB3 LEU 20 55.792 7.761 7.030 125 HG LEU 20 HG LEU 20 57.502 5.920 7.238 126 HD11 LEU 20 HD11 LEU 20 56.227 4.198 8.398 127 HD12 LEU 20 HD12 LEU 20 56.853 3.568 6.876 128 HD13 LEU 20 HD13 LEU 20 55.151 4.018 7.011 129 HD21 LEU 20 HD21 LEU 20 56.899 6.805 5.046 130 HD22 LEU 20 HD22 LEU 20 55.563 5.659 4.918 131 HD23 LEU 20 HD23 LEU 20 57.229 5.078 4.935 132 H GLY 21 H GLY 21 53.036 6.697 8.919 133 HA2 GLY 21 HA2 GLY 21 52.720 4.086 9.958 134 HA3 GLY 21 HA3 GLY 21 52.457 5.256 11.250 135 H LEU 22 H LEU 22 51.656 5.264 7.786 136 HA LEU 22 HA LEU 22 48.898 6.096 8.334 137 HB2 LEU 22 HB2 LEU 22 50.534 7.015 6.477 138 HB3 LEU 22 HB3 LEU 22 50.092 5.579 5.580 139 HG LEU 22 HG LEU 22 48.120 7.694 6.525 140 HD11 LEU 22 HD11 LEU 22 49.662 8.645 4.884 141 HD12 LEU 22 HD12 LEU 22 48.044 8.496 4.205 142 HD13 LEU 22 HD13 LEU 22 49.297 7.335 3.758 143 HD21 LEU 22 HD21 LEU 22 47.009 5.521 6.181 144 HD22 LEU 22 HD22 LEU 22 47.679 5.419 4.553 145 HD23 LEU 22 HD23 LEU 22 46.510 6.681 4.950 146 H SER 23 H SER 23 47.546 4.453 8.862 147 HA SER 23 HA SER 23 47.913 1.736 7.812 148 HB2 SER 23 HB2 SER 23 45.940 2.725 9.920 149 HB3 SER 23 HB3 SER 23 46.311 1.042 9.537 150 HG SER 23 HG SER 23 47.805 2.937 10.938 151 H ALA 24 H ALA 24 47.338 2.486 5.629 152 HA ALA 24 HA ALA 24 44.611 3.218 4.989 153 HB1 ALA 24 HB1 ALA 24 46.884 2.334 3.175 154 HB2 ALA 24 HB2 ALA 24 46.512 4.000 3.620 155 HB3 ALA 24 HB3 ALA 24 45.368 3.068 2.650 156 H SER 25 H SER 25 42.963 1.870 4.505 157 HA SER 25 HA SER 25 43.278 -0.740 3.359 158 HB2 SER 25 HB2 SER 25 43.723 -1.285 5.773 159 HB3 SER 25 HB3 SER 25 42.142 -0.632 6.194 160 HG SER 25 HG SER 25 42.734 -2.904 4.610 161 H ALA 26 H ALA 26 41.100 -1.795 3.045 162 HA ALA 26 HA ALA 26 38.738 -0.146 3.195 163 HB1 ALA 26 HB1 ALA 26 39.912 -0.730 0.447 164 HB2 ALA 26 HB2 ALA 26 39.834 0.856 1.214 165 HB3 ALA 26 HB3 ALA 26 38.346 0.023 0.758 166 H GLU 27 H GLU 27 39.992 -2.825 1.179 167 HA GLU 27 HA GLU 27 37.503 -4.348 1.601 168 HB2 GLU 27 HB2 GLU 27 38.220 -3.861 -0.732 169 HB3 GLU 27 HB3 GLU 27 39.726 -4.720 -0.457 170 HG2 GLU 27 HG2 GLU 27 38.412 -6.814 -0.079 171 HG3 GLU 27 HG3 GLU 27 36.942 -5.927 -0.468 172 H CYS 28 H CYS 28 38.423 -4.600 3.849 173 HA CYS 28 HA CYS 28 39.148 -7.306 4.284 174 HB2 CYS 28 HB2 CYS 28 41.366 -5.258 4.669 175 HB3 CYS 28 HB3 CYS 28 41.292 -6.673 5.716 176 HG CYS 28 HG CYS 28 41.900 -6.582 2.361 177 H HIS 29 H HIS 29 38.300 -7.877 6.268 178 HA HIS 29 HA HIS 29 37.451 -5.890 8.213 179 HB2 HIS 29 HB2 HIS 29 37.357 -8.930 8.147 180 HB3 HIS 29 HB3 HIS 29 36.947 -8.036 9.607 181 HD1 HIS 29 HD1 HIS 29 34.725 -6.719 9.624 182 HD2 HIS 29 HD2 HIS 29 35.394 -8.803 6.090 183 HE1 HIS 29 HE1 HIS 29 32.548 -6.662 8.379 184 HE2 HIS 29 HE2 HIS 29 33.005 -7.827 6.205 185 H LEU 30 H LEU 30 38.849 -4.988 9.554 186 HA LEU 30 HA LEU 30 41.415 -6.272 10.215 187 HB2 LEU 30 HB2 LEU 30 40.471 -3.446 10.817 188 HB3 LEU 30 HB3 LEU 30 42.106 -4.061 10.987 189 HG LEU 30 HG LEU 30 40.630 -3.656 8.355 190 HD11 LEU 30 HD11 LEU 30 42.228 -1.838 7.932 191 HD12 LEU 30 HD12 LEU 30 42.933 -2.074 9.530 192 HD13 LEU 30 HD13 LEU 30 41.265 -1.521 9.373 193 HD21 LEU 30 HD21 LEU 30 42.178 -5.558 8.177 194 HD22 LEU 30 HD22 LEU 30 43.497 -4.561 8.791 195 HD23 LEU 30 HD23 LEU 30 42.759 -4.187 7.233 196 H CYS 31 H CYS 31 41.833 -7.072 12.254 197 HA CYS 31 HA CYS 31 40.016 -7.214 14.395 198 HB2 CYS 31 HB2 CYS 31 41.952 -8.667 14.445 199 HB3 CYS 31 HB3 CYS 31 43.062 -7.300 14.391 200 HA PRO 32 HA PRO 32 39.264 -2.844 14.696 201 HB2 PRO 32 HB2 PRO 32 38.920 -3.513 17.634 202 HB3 PRO 32 HB3 PRO 32 37.923 -2.465 16.609 203 HG2 PRO 32 HG2 PRO 32 37.149 -4.968 17.116 204 HG3 PRO 32 HG3 PRO 32 36.939 -4.289 15.490 205 HD2 PRO 32 HD2 PRO 32 38.891 -6.333 16.445 206 HD3 PRO 32 HD3 PRO 32 38.225 -6.087 14.817 207 H VAL 33 H VAL 33 41.417 -4.079 17.263 208 HA VAL 33 HA VAL 33 42.366 -1.409 17.934 209 HB VAL 33 HB VAL 33 43.264 -4.058 19.145 210 HG11 VAL 33 HG11 VAL 33 43.328 -1.225 20.254 211 HG12 VAL 33 HG12 VAL 33 44.715 -2.159 19.693 212 HG13 VAL 33 HG13 VAL 33 43.830 -2.682 21.123 213 HG21 VAL 33 HG21 VAL 33 40.908 -2.329 20.023 214 HG22 VAL 33 HG22 VAL 33 41.529 -3.734 20.892 215 HG23 VAL 33 HG23 VAL 33 40.804 -3.935 19.297 216 H CYS 34 H CYS 34 43.620 -4.255 16.185 217 HA CYS 34 HA CYS 34 46.123 -2.759 15.581 218 HB2 CYS 34 HB2 CYS 34 47.353 -4.845 15.372 219 HB3 CYS 34 HB3 CYS 34 46.604 -4.788 16.957 220 H GLY 35 H GLY 35 46.535 -2.372 13.477 221 HA2 GLY 35 HA2 GLY 35 44.837 -3.073 11.331 222 HA3 GLY 35 HA3 GLY 35 46.496 -2.480 11.188 223 H GLU 36 H GLU 36 44.490 -5.075 10.660 224 HA GLU 36 HA GLU 36 46.490 -6.992 9.971 225 HB2 GLU 36 HB2 GLU 36 46.610 -7.161 12.456 226 HB3 GLU 36 HB3 GLU 36 44.886 -7.511 12.525 227 HG2 GLU 36 HG2 GLU 36 45.250 -9.631 11.324 228 HG3 GLU 36 HG3 GLU 36 46.971 -9.265 11.176 229 H SER 37 H SER 37 45.564 -7.868 8.259 230 HA SER 37 HA SER 37 42.757 -7.365 7.744 231 HB2 SER 37 HB2 SER 37 44.951 -8.438 5.944 232 HB3 SER 37 HB3 SER 37 43.345 -7.920 5.423 233 HG SER 37 HG SER 37 44.553 -6.025 6.932 234 H PHE 38 H PHE 38 41.184 -8.791 7.664 235 HA PHE 38 HA PHE 38 41.651 -11.680 7.279 236 HB2 PHE 38 HB2 PHE 38 39.673 -10.464 9.272 237 HB3 PHE 38 HB3 PHE 38 39.859 -12.182 8.928 238 HD1 PHE 38 HD2 PHE 38 42.048 -13.331 9.569 239 HD2 PHE 38 HD1 PHE 38 41.068 -9.386 10.925 240 HE1 PHE 38 HE2 PHE 38 43.681 -13.542 11.388 241 HE2 PHE 38 HE1 PHE 38 42.717 -9.610 12.736 242 HZ PHE 38 HZ PHE 38 44.015 -11.691 12.977 243 H ALA 39 H ALA 39 40.113 -12.614 5.911 244 HA ALA 39 HA ALA 39 38.259 -10.908 4.462 245 HB1 ALA 39 HB1 ALA 39 37.725 -12.959 3.192 246 HB2 ALA 39 HB2 ALA 39 38.686 -13.918 4.323 247 HB3 ALA 39 HB3 ALA 39 39.467 -12.714 3.295 248 H SER 40 H SER 40 38.038 -13.665 6.689 249 HA SER 40 HA SER 40 35.160 -13.528 6.993 250 HB2 SER 40 HB2 SER 40 37.231 -15.209 8.470 251 HB3 SER 40 HB3 SER 40 35.482 -15.448 8.516 252 HG SER 40 HG SER 40 36.236 -15.362 5.970 253 H LYS 41 H LYS 41 34.040 -12.653 8.687 254 HA LYS 41 HA LYS 41 35.343 -10.654 10.308 255 HB2 LYS 41 HB2 LYS 41 33.065 -10.397 9.250 256 HB3 LYS 41 HB3 LYS 41 32.440 -11.578 10.400 257 HG2 LYS 41 HG2 LYS 41 32.974 -10.093 12.271 258 HG3 LYS 41 HG3 LYS 41 33.718 -8.927 11.171 259 HD2 LYS 41 HD2 LYS 41 31.515 -8.605 10.056 260 HD3 LYS 41 HD3 LYS 41 30.782 -9.728 11.203 261 HE2 LYS 41 HE2 LYS 41 31.342 -8.215 13.062 262 HE3 LYS 41 HE3 LYS 41 32.123 -7.103 11.935 263 HZ1 LYS 41 HZ1 LYS 41 29.253 -7.848 11.866 264 HZ2 LYS 41 HZ2 LYS 41 30.023 -6.727 10.864 265 HZ3 LYS 41 HZ3 LYS 41 29.873 -6.416 12.517 266 H GLY 42 H GLY 42 34.282 -13.953 10.793 267 HA2 GLY 42 HA2 GLY 42 34.430 -14.125 13.629 268 HA3 GLY 42 HA3 GLY 42 34.618 -15.457 12.494 269 H ALA 43 H ALA 43 36.825 -14.301 11.049 270 HA ALA 43 HA ALA 43 39.062 -15.025 12.705 271 HB1 ALA 43 HB1 ALA 43 38.996 -13.857 9.904 272 HB2 ALA 43 HB2 ALA 43 38.988 -15.576 10.302 273 HB3 ALA 43 HB3 ALA 43 40.397 -14.585 10.686 274 H GLN 44 H GLN 44 37.536 -12.017 11.694 275 HA GLN 44 HA GLN 44 39.505 -10.125 12.404 276 HB2 GLN 44 HB2 GLN 44 37.517 -9.459 11.159 277 HB3 GLN 44 HB3 GLN 44 36.467 -9.966 12.474 278 HG2 GLN 44 HG2 GLN 44 37.534 -8.142 13.888 279 HG3 GLN 44 HG3 GLN 44 38.325 -7.567 12.423 280 HE21 GLN 44 HE21 GLN 44 36.417 -6.173 14.127 281 HE22 GLN 44 HE22 GLN 44 35.077 -5.764 13.124 282 H GLU 45 H GLU 45 36.818 -11.468 14.297 283 HA GLU 45 HA GLU 45 37.536 -10.111 16.738 284 HB2 GLU 45 HB2 GLU 45 35.552 -11.207 17.704 285 HB3 GLU 45 HB3 GLU 45 35.190 -10.427 16.172 286 HG2 GLU 45 HG2 GLU 45 34.143 -12.356 15.601 287 HG3 GLU 45 HG3 GLU 45 35.755 -13.014 15.355 288 H ARG 46 H ARG 46 38.505 -13.095 15.288 289 HA ARG 46 HA ARG 46 38.956 -14.709 17.530 290 HB2 ARG 46 HB2 ARG 46 40.083 -16.167 16.138 291 HB3 ARG 46 HB3 ARG 46 39.302 -15.194 14.907 292 HG2 ARG 46 HG2 ARG 46 41.430 -13.877 14.673 293 HG3 ARG 46 HG3 ARG 46 42.191 -14.974 15.819 294 HD2 ARG 46 HD2 ARG 46 41.060 -15.708 13.108 295 HD3 ARG 46 HD3 ARG 46 42.767 -15.588 13.532 296 HE ARG 46 HE ARG 46 41.022 -17.540 14.897 297 HH11 ARG 46 HH11 ARG 46 43.869 -16.928 12.951 298 HH12 ARG 46 HH12 ARG 46 44.368 -18.584 12.946 299 HH21 ARG 46 HH21 ARG 46 41.697 -19.703 14.869 300 HH22 ARG 46 HH22 ARG 46 43.144 -20.151 14.028 301 H HIS 47 H HIS 47 41.044 -12.135 16.122 302 HA HIS 47 HA HIS 47 43.238 -12.649 17.895 303 HB2 HIS 47 HB2 HIS 47 43.348 -11.384 15.629 304 HB3 HIS 47 HB3 HIS 47 42.814 -9.964 16.520 305 HD2 HIS 47 HD2 HIS 47 45.817 -12.489 16.520 306 HE1 HIS 47 HE1 HIS 47 47.100 -8.960 18.436 307 HE2 HIS 47 HE2 HIS 47 47.823 -11.154 17.419 308 H LEU 48 H LEU 48 40.291 -10.863 18.179 309 HA LEU 48 HA LEU 48 41.016 -9.161 20.328 310 HB2 LEU 48 HB2 LEU 48 38.289 -10.260 19.555 311 HB3 LEU 48 HB3 LEU 48 38.562 -8.996 20.741 312 HG LEU 48 HG LEU 48 39.143 -8.788 17.765 313 HD11 LEU 48 HD11 LEU 48 36.738 -8.735 18.245 314 HD12 LEU 48 HD12 LEU 48 37.301 -7.154 17.713 315 HD13 LEU 48 HD13 LEU 48 36.983 -7.443 19.424 316 HD21 LEU 48 HD21 LEU 48 39.500 -6.682 19.935 317 HD22 LEU 48 HD22 LEU 48 39.651 -6.395 18.202 318 HD23 LEU 48 HD23 LEU 48 40.789 -7.464 19.015 319 H ARG 49 H ARG 49 38.999 -12.175 20.404 320 HA ARG 49 HA ARG 49 38.900 -12.399 23.190 321 HB2 ARG 49 HB2 ARG 49 38.171 -14.733 22.877 322 HB3 ARG 49 HB3 ARG 49 37.368 -13.655 21.741 323 HG2 ARG 49 HG2 ARG 49 38.449 -14.568 19.888 324 HG3 ARG 49 HG3 ARG 49 39.844 -15.099 20.828 325 HD2 ARG 49 HD2 ARG 49 37.088 -16.361 20.868 326 HD3 ARG 49 HD3 ARG 49 38.517 -17.024 20.069 327 HE ARG 49 HE ARG 49 38.251 -16.667 23.006 328 HH11 ARG 49 HH11 ARG 49 39.456 -18.554 20.321 329 HH12 ARG 49 HH12 ARG 49 40.292 -19.674 21.343 330 HH21 ARG 49 HH21 ARG 49 39.387 -18.107 24.317 331 HH22 ARG 49 HH22 ARG 49 40.258 -19.425 23.600 332 H LEU 50 H LEU 50 41.425 -13.452 21.012 333 HA LEU 50 HA LEU 50 42.779 -15.182 22.887 334 HB2 LEU 50 HB2 LEU 50 43.663 -14.023 20.218 335 HB3 LEU 50 HB3 LEU 50 44.583 -15.206 21.134 336 HG LEU 50 HG LEU 50 41.802 -15.682 19.994 337 HD11 LEU 50 HD11 LEU 50 42.878 -17.151 18.343 338 HD12 LEU 50 HD12 LEU 50 44.466 -16.712 18.975 339 HD13 LEU 50 HD13 LEU 50 43.459 -15.491 18.198 340 HD21 LEU 50 HD21 LEU 50 42.138 -18.041 20.610 341 HD22 LEU 50 HD22 LEU 50 42.198 -17.005 22.032 342 HD23 LEU 50 HD23 LEU 50 43.693 -17.641 21.345 343 H LEU 51 H LEU 51 43.817 -12.091 21.351 344 HA LEU 51 HA LEU 51 45.779 -11.740 23.556 345 HB2 LEU 51 HB2 LEU 51 46.052 -10.892 20.648 346 HB3 LEU 51 HB3 LEU 51 47.254 -10.644 21.904 347 HG LEU 51 HG LEU 51 46.366 -13.342 20.797 348 HD11 LEU 51 HD11 LEU 51 48.649 -13.526 19.903 349 HD12 LEU 51 HD12 LEU 51 49.021 -11.911 20.506 350 HD13 LEU 51 HD13 LEU 51 47.814 -12.120 19.237 351 HD21 LEU 51 HD21 LEU 51 48.434 -12.778 22.965 352 HD22 LEU 51 HD22 LEU 51 48.124 -14.350 22.231 353 HD23 LEU 51 HD23 LEU 51 46.874 -13.576 23.199 354 H HIS 52 H HIS 52 43.428 -10.077 21.532 355 HA HIS 52 HA HIS 52 44.042 -7.484 22.779 356 HB2 HIS 52 HB2 HIS 52 43.067 -8.274 20.079 357 HB3 HIS 52 HB3 HIS 52 42.193 -6.902 20.758 358 HD2 HIS 52 HD2 HIS 52 44.964 -5.761 22.322 359 HE1 HIS 52 HE1 HIS 52 46.108 -4.951 18.376 360 HE2 HIS 52 HE2 HIS 52 46.600 -4.527 20.776 361 H ALA 53 H ALA 53 42.523 -9.735 24.008 362 HA ALA 53 HA ALA 53 39.844 -8.764 24.477 363 HB1 ALA 53 HB1 ALA 53 39.681 -10.657 26.047 364 HB2 ALA 53 HB2 ALA 53 41.411 -10.967 25.874 365 HB3 ALA 53 HB3 ALA 53 40.334 -11.176 24.494 366 H ALA 54 H ALA 54 42.920 -8.012 25.683 367 HA ALA 54 HA ALA 54 42.255 -6.967 28.241 368 HB1 ALA 54 HB1 ALA 54 44.373 -5.721 28.026 369 HB2 ALA 54 HB2 ALA 54 44.458 -6.139 26.313 370 HB3 ALA 54 HB3 ALA 54 44.579 -7.404 27.538 371 H GLN 55 H GLN 55 41.715 -5.900 24.997 372 HA GLN 55 HA GLN 55 41.107 -3.124 25.746 373 HB2 GLN 55 HB2 GLN 55 41.306 -4.425 23.007 374 HB3 GLN 55 HB3 GLN 55 41.067 -2.707 23.307 375 HG2 GLN 55 HG2 GLN 55 43.521 -4.270 24.178 376 HG3 GLN 55 HG3 GLN 55 43.414 -3.344 22.683 377 HE21 GLN 55 HE21 GLN 55 45.108 -1.994 23.282 378 HE22 GLN 55 HE22 GLN 55 44.987 -0.799 24.518 379 H VAL 56 H VAL 56 39.597 -5.944 24.138 380 HA VAL 56 HA VAL 56 36.969 -4.632 24.183 381 HB VAL 56 HB VAL 56 36.124 -6.555 22.918 382 HG11 VAL 56 HG11 VAL 56 38.706 -5.462 21.746 383 HG12 VAL 56 HG12 VAL 56 37.113 -4.706 21.655 384 HG13 VAL 56 HG13 VAL 56 37.409 -6.237 20.833 385 HG21 VAL 56 HG21 VAL 56 38.928 -7.745 23.088 386 HG22 VAL 56 HG22 VAL 56 37.582 -8.392 22.150 387 HG23 VAL 56 HG23 VAL 56 37.494 -8.371 23.909 388 H PHE 57 H PHE 57 35.142 -5.609 25.182 389 HA PHE 57 HA PHE 57 35.709 -7.332 27.531 390 HB2 PHE 57 HB2 PHE 57 33.997 -4.811 27.378 391 HB3 PHE 57 HB3 PHE 57 34.040 -5.900 28.761 392 HD1 PHE 57 HD1 PHE 57 36.060 -6.052 30.192 393 HD2 PHE 57 HD2 PHE 57 35.875 -3.272 26.935 394 HE1 PHE 57 HE1 PHE 57 37.996 -4.842 31.103 395 HE2 PHE 57 HE2 PHE 57 37.805 -2.069 27.867 396 HZ PHE 57 HZ PHE 57 38.866 -2.850 29.947 397 HA PRO 58 HA PRO 58 32.177 -9.317 25.232 398 HB2 PRO 58 HB2 PRO 58 33.024 -11.898 25.468 399 HB3 PRO 58 HB3 PRO 58 33.646 -10.815 24.215 400 HG2 PRO 58 HG2 PRO 58 34.895 -11.557 26.858 401 HG3 PRO 58 HG3 PRO 58 35.653 -11.453 25.253 402 HD2 PRO 58 HD2 PRO 58 35.839 -9.449 27.122 403 HD3 PRO 58 HD3 PRO 58 35.874 -9.140 25.371 404 H CYS 59 H CYS 59 30.324 -9.624 26.354 405 HA CYS 59 HA CYS 59 30.198 -10.281 29.153 406 HB2 CYS 59 HB2 CYS 59 28.348 -9.033 28.281 407 HB3 CYS 59 HB3 CYS 59 28.112 -10.150 26.944 408 H LYS 60 H LYS 60 30.877 -12.206 29.845 409 HA LYS 60 HA LYS 60 31.869 -14.136 28.085 410 HB2 LYS 60 HB2 LYS 60 31.407 -14.396 31.076 411 HB3 LYS 60 HB3 LYS 60 32.517 -15.370 30.122 412 HG2 LYS 60 HG2 LYS 60 33.925 -13.410 29.680 413 HG3 LYS 60 HG3 LYS 60 32.779 -12.369 30.523 414 HD2 LYS 60 HD2 LYS 60 34.384 -14.623 31.795 415 HD3 LYS 60 HD3 LYS 60 34.729 -12.899 31.949 416 HE2 LYS 60 HE2 LYS 60 32.625 -12.540 33.134 417 HE3 LYS 60 HE3 LYS 60 32.164 -14.229 32.909 418 HZ1 LYS 60 HZ1 LYS 60 34.491 -13.262 34.469 419 HZ2 LYS 60 HZ2 LYS 60 34.050 -14.878 34.259 420 HZ3 LYS 60 HZ3 LYS 60 33.038 -13.832 35.112 421 H TYR 61 H TYR 61 28.759 -13.976 29.476 422 HA TYR 61 HA TYR 61 28.174 -16.788 29.692 423 HB2 TYR 61 HB2 TYR 61 26.106 -14.555 29.724 424 HB3 TYR 61 HB3 TYR 61 26.095 -16.080 30.611 425 HD1 TYR 61 HD1 TYR 61 28.323 -16.333 32.237 426 HD2 TYR 61 HD2 TYR 61 26.532 -12.639 31.043 427 HE1 TYR 61 HE1 TYR 61 29.355 -15.211 34.153 428 HE2 TYR 61 HE2 TYR 61 27.560 -11.520 32.970 429 HH TYR 61 HH TYR 61 28.460 -12.100 35.194 430 H CYS 62 H CYS 62 27.962 -14.388 27.234 431 HA CYS 62 HA CYS 62 26.801 -16.292 25.306 432 HB2 CYS 62 HB2 CYS 62 25.610 -14.390 24.211 433 HB3 CYS 62 HB3 CYS 62 25.031 -14.659 25.846 434 HA PRO 63 HA PRO 63 30.387 -14.964 22.855 435 HB2 PRO 63 HB2 PRO 63 29.621 -15.383 20.279 436 HB3 PRO 63 HB3 PRO 63 29.844 -16.720 21.414 437 HG2 PRO 63 HG2 PRO 63 27.277 -15.352 20.602 438 HG3 PRO 63 HG3 PRO 63 27.630 -17.094 20.694 439 HD2 PRO 63 HD2 PRO 63 26.331 -15.763 22.697 440 HD3 PRO 63 HD3 PRO 63 27.399 -17.147 23.018 441 H ALA 64 H ALA 64 28.136 -12.842 23.428 442 HA ALA 64 HA ALA 64 28.447 -10.899 21.306 443 HB1 ALA 64 HB1 ALA 64 27.061 -9.426 22.727 444 HB2 ALA 64 HB2 ALA 64 27.173 -10.578 24.058 445 HB3 ALA 64 HB3 ALA 64 26.320 -11.021 22.581 446 H THR 65 H THR 65 30.518 -10.222 21.097 447 HA THR 65 HA THR 65 32.115 -9.431 23.417 448 HB THR 65 HB THR 65 32.870 -9.466 20.461 449 HG1 THR 65 HG1 THR 65 33.243 -11.514 20.809 450 HG21 THR 65 HG21 THR 65 35.207 -9.277 21.292 451 HG22 THR 65 HG22 THR 65 34.603 -9.084 22.938 452 HG23 THR 65 HG23 THR 65 34.255 -7.854 21.720 453 H PHE 66 H PHE 66 31.810 -7.454 24.180 454 HA PHE 66 HA PHE 66 31.033 -5.195 22.469 455 HB2 PHE 66 HB2 PHE 66 31.462 -5.342 25.500 456 HB3 PHE 66 HB3 PHE 66 30.827 -3.949 24.615 457 HD1 PHE 66 HD2 PHE 66 28.582 -4.046 23.553 458 HD2 PHE 66 HD1 PHE 66 30.043 -7.285 25.945 459 HE1 PHE 66 HE2 PHE 66 26.311 -4.969 23.697 460 HE2 PHE 66 HE1 PHE 66 27.772 -8.206 26.066 461 HZ PHE 66 HZ PHE 66 25.905 -7.053 24.949 462 H TYR 67 H TYR 67 32.323 -3.223 22.493 463 HA TYR 67 HA TYR 67 35.230 -3.729 22.635 464 HB2 TYR 67 HB2 TYR 67 33.707 -1.435 21.307 465 HB3 TYR 67 HB3 TYR 67 35.431 -1.774 21.132 466 HD1 TYR 67 HD1 TYR 67 36.142 -3.896 19.929 467 HD2 TYR 67 HD2 TYR 67 32.069 -2.603 19.944 468 HE1 TYR 67 HE1 TYR 67 35.659 -5.387 18.045 469 HE2 TYR 67 HE2 TYR 67 31.586 -4.082 18.046 470 HH TYR 67 HH TYR 67 32.864 -5.173 16.175 471 H SER 68 H SER 68 32.765 -2.413 24.483 472 HA SER 68 HA SER 68 34.614 -0.700 26.022 473 HB2 SER 68 HB2 SER 68 31.662 -0.126 25.534 474 HB3 SER 68 HB3 SER 68 32.780 0.887 26.448 475 HG SER 68 HG SER 68 33.954 0.677 24.202 476 H SER 69 H SER 69 34.434 -0.786 28.236 477 HA SER 69 HA SER 69 33.447 -3.130 29.462 478 HB2 SER 69 HB2 SER 69 34.147 -1.912 31.619 479 HB3 SER 69 HB3 SER 69 35.403 -2.172 30.411 480 HG SER 69 HG SER 69 34.152 0.197 31.208 481 HA PRO 70 HA PRO 70 29.724 -0.220 31.121 482 HB2 PRO 70 HB2 PRO 70 29.359 1.210 28.474 483 HB3 PRO 70 HB3 PRO 70 28.930 1.747 30.110 484 HG2 PRO 70 HG2 PRO 70 31.117 2.727 28.957 485 HG3 PRO 70 HG3 PRO 70 31.173 2.243 30.669 486 HD2 PRO 70 HD2 PRO 70 32.196 0.755 28.247 487 HD3 PRO 70 HD3 PRO 70 32.951 0.971 29.837 488 H GLY 71 H GLY 71 30.061 -1.060 27.644 489 HA2 GLY 71 HA2 GLY 71 27.483 -2.091 27.168 490 HA3 GLY 71 HA3 GLY 71 28.925 -2.482 26.244 491 H LEU 72 H LEU 72 30.449 -3.696 28.217 492 HA LEU 72 HA LEU 72 29.675 -6.356 28.437 493 HB2 LEU 72 HB2 LEU 72 31.969 -5.680 28.767 494 HB3 LEU 72 HB3 LEU 72 31.536 -4.602 30.079 495 HG LEU 72 HG LEU 72 30.981 -6.610 31.488 496 HD11 LEU 72 HD11 LEU 72 32.198 -8.213 29.226 497 HD12 LEU 72 HD12 LEU 72 30.514 -8.247 29.749 498 HD13 LEU 72 HD13 LEU 72 31.776 -8.828 30.828 499 HD21 LEU 72 HD21 LEU 72 33.303 -7.221 31.978 500 HD22 LEU 72 HD22 LEU 72 33.143 -5.487 31.709 501 HD23 LEU 72 HD23 LEU 72 33.825 -6.513 30.445 502 H THR 73 H THR 73 29.528 -3.809 30.924 503 HA THR 73 HA THR 73 28.286 -5.261 32.972 504 HB THR 73 HB THR 73 28.220 -2.245 32.495 505 HG1 THR 73 HG1 THR 73 30.085 -3.579 34.146 506 HG21 THR 73 HG21 THR 73 28.033 -2.053 34.961 507 HG22 THR 73 HG22 THR 73 27.961 -3.811 35.103 508 HG23 THR 73 HG23 THR 73 26.655 -2.933 34.302 509 H ARG 74 H ARG 74 26.892 -3.377 30.321 510 HA ARG 74 HA ARG 74 24.254 -3.078 31.224 511 HB2 ARG 74 HB2 ARG 74 25.393 -3.194 28.400 512 HB3 ARG 74 HB3 ARG 74 23.704 -2.814 28.736 513 HG2 ARG 74 HG2 ARG 74 24.298 -0.809 29.924 514 HG3 ARG 74 HG3 ARG 74 26.013 -1.213 29.875 515 HD2 ARG 74 HD2 ARG 74 25.550 0.512 28.219 516 HD3 ARG 74 HD3 ARG 74 25.953 -0.991 27.390 517 HE ARG 74 HE ARG 74 23.682 -1.264 26.785 518 HH11 ARG 74 HH11 ARG 74 24.235 1.797 28.390 519 HH12 ARG 74 HH12 ARG 74 22.793 2.519 27.760 520 HH21 ARG 74 HH21 ARG 74 21.818 -0.298 25.968 521 HH22 ARG 74 HH22 ARG 74 21.427 1.339 26.387 522 H HIS 75 H HIS 75 25.790 -5.741 29.424 523 HA HIS 75 HA HIS 75 23.364 -7.262 29.201 524 HB2 HIS 75 HB2 HIS 75 26.075 -7.569 28.224 525 HB3 HIS 75 HB3 HIS 75 25.620 -9.060 29.034 526 HD2 HIS 75 HD2 HIS 75 23.917 -6.712 26.338 527 HE1 HIS 75 HE1 HIS 75 22.992 -10.714 25.433 528 HE2 HIS 75 HE2 HIS 75 22.548 -8.314 24.864 529 H ILE 76 H ILE 76 26.136 -7.330 31.427 530 HA ILE 76 HA ILE 76 25.353 -9.572 32.959 531 HB ILE 76 HB ILE 76 27.037 -7.187 33.867 532 HG12 ILE 76 HG12 ILE 76 27.922 -9.826 32.578 533 HG13 ILE 76 HG13 ILE 76 27.952 -8.247 31.808 534 HG21 ILE 76 HG21 ILE 76 26.954 -10.022 35.012 535 HG22 ILE 76 HG22 ILE 76 26.314 -8.577 35.793 536 HG23 ILE 76 HG23 ILE 76 28.048 -8.735 35.531 537 HD11 ILE 76 HD11 ILE 76 29.628 -9.124 34.153 538 HD12 ILE 76 HD12 ILE 76 29.642 -7.509 33.440 539 HD13 ILE 76 HD13 ILE 76 30.160 -8.899 32.489 540 H ASN 77 H ASN 77 24.206 -6.271 32.996 541 HA ASN 77 HA ASN 77 22.803 -6.473 35.531 542 HB2 ASN 77 HB2 ASN 77 22.938 -4.336 33.375 543 HB3 ASN 77 HB3 ASN 77 21.828 -4.210 34.733 544 HD21 ASN 77 HD21 ASN 77 25.071 -5.573 35.103 545 HD22 ASN 77 HD22 ASN 77 25.708 -4.258 36.013 546 H LYS 78 H LYS 78 21.828 -6.186 32.071 547 HA LYS 78 HA LYS 78 19.007 -6.471 32.827 548 HB2 LYS 78 HB2 LYS 78 19.607 -4.614 31.354 549 HB3 LYS 78 HB3 LYS 78 20.326 -5.722 30.192 550 HG2 LYS 78 HG2 LYS 78 18.011 -6.763 29.922 551 HG3 LYS 78 HG3 LYS 78 17.384 -5.405 30.861 552 HD2 LYS 78 HD2 LYS 78 18.184 -3.825 29.171 553 HD3 LYS 78 HD3 LYS 78 18.957 -5.133 28.272 554 HE2 LYS 78 HE2 LYS 78 16.682 -6.156 27.933 555 HE3 LYS 78 HE3 LYS 78 15.977 -4.725 28.684 556 HZ1 LYS 78 HZ1 LYS 78 16.993 -3.382 26.937 557 HZ2 LYS 78 HZ2 LYS 78 15.930 -4.533 26.309 558 HZ3 LYS 78 HZ3 LYS 78 17.600 -4.778 26.202 559 H CYS 79 H CYS 79 21.123 -7.921 30.274 560 HA CYS 79 HA CYS 79 19.007 -9.894 29.713 561 HB2 CYS 79 HB2 CYS 79 21.401 -8.984 28.074 562 HB3 CYS 79 HB3 CYS 79 20.253 -10.227 27.559 563 HG CYS 79 HG CYS 79 20.080 -7.156 26.879 564 H HIS 80 H HIS 80 21.709 -9.827 31.560 565 HA HIS 80 HA HIS 80 21.874 -12.680 31.788 566 HB2 HIS 80 HB2 HIS 80 24.070 -11.154 30.389 567 HB3 HIS 80 HB3 HIS 80 24.609 -12.327 31.591 568 HD2 HIS 80 HD2 HIS 80 22.541 -14.696 31.033 569 HE1 HIS 80 HE1 HIS 80 23.852 -14.527 27.053 570 HE2 HIS 80 HE2 HIS 80 22.800 -15.959 28.810 571 HA PRO 81 HA PRO 81 22.592 -10.114 35.706 572 HB2 PRO 81 HB2 PRO 81 20.297 -10.683 37.050 573 HB3 PRO 81 HB3 PRO 81 20.351 -9.432 35.801 574 HG2 PRO 81 HG2 PRO 81 19.443 -12.298 35.546 575 HG3 PRO 81 HG3 PRO 81 18.604 -10.822 35.019 576 HD2 PRO 81 HD2 PRO 81 20.061 -12.343 33.313 577 HD3 PRO 81 HD3 PRO 81 19.965 -10.576 33.134 578 H SER 82 H SER 82 22.169 -11.056 38.093 579 HA SER 82 HA SER 82 23.047 -12.393 39.670 580 HB2 SER 82 HB2 SER 82 21.152 -13.887 38.984 581 HB3 SER 82 HB3 SER 82 22.234 -14.706 37.848 582 HG SER 82 HG SER 82 21.861 -15.500 40.192 583 H GLU 83 H GLU 83 24.445 -15.105 38.684 584 HA GLU 83 HA GLU 83 26.521 -15.829 38.214 585 HB2 GLU 83 HB2 GLU 83 26.648 -13.450 36.318 586 HB3 GLU 83 HB3 GLU 83 27.678 -14.870 36.254 587 HG2 GLU 83 HG2 GLU 83 24.685 -14.854 35.781 588 HG3 GLU 83 HG3 GLU 83 25.914 -14.891 34.519 589 H ASN 84 H ASN 84 26.860 -15.143 40.460 590 HA ASN 84 HA ASN 84 28.181 -12.561 40.946 591 HB2 ASN 84 HB2 ASN 84 26.930 -14.527 42.928 592 HB3 ASN 84 HB3 ASN 84 27.521 -12.912 43.306 593 HD21 ASN 84 HD21 ASN 84 24.982 -14.761 41.792 594 HD22 ASN 84 HD22 ASN 84 23.868 -13.451 41.608 595 H ARG 85 H ARG 85 30.159 -12.363 41.891 596 HA ARG 85 HA ARG 85 31.579 -14.723 42.918 597 HB2 ARG 85 HB2 ARG 85 32.233 -14.462 40.492 598 HB3 ARG 85 HB3 ARG 85 32.810 -12.835 40.844 599 HG2 ARG 85 HG2 ARG 85 34.466 -13.812 42.440 600 HG3 ARG 85 HG3 ARG 85 33.934 -15.425 41.964 601 HD2 ARG 85 HD2 ARG 85 35.191 -13.349 40.143 602 HD3 ARG 85 HD3 ARG 85 36.007 -14.767 40.797 603 HE ARG 85 HE ARG 85 33.627 -15.202 39.138 604 HH11 ARG 85 HH11 ARG 85 37.132 -15.364 39.372 605 HH12 ARG 85 HH12 ARG 85 37.299 -16.289 37.918 606 HH21 ARG 85 HH21 ARG 85 33.860 -16.421 37.260 607 HH22 ARG 85 HH22 ARG 85 35.439 -16.893 36.717 Start of MODEL 16 1 H1 MET 1 H1 MET 1 23.874 -5.735 57.784 2 H2 MET 1 H2 MET 1 22.945 -4.439 58.339 3 H3 MET 1 H3 MET 1 23.435 -4.497 56.727 4 HA MET 1 HA MET 1 21.643 -6.436 58.021 5 HB2 MET 1 HB2 MET 1 21.006 -4.096 56.177 6 HB3 MET 1 HB3 MET 1 19.857 -5.386 56.519 7 HG2 MET 1 HG2 MET 1 19.957 -4.791 58.933 8 HG3 MET 1 HG3 MET 1 21.020 -3.440 58.536 9 HE1 MET 1 HE1 MET 1 18.606 -1.137 56.430 10 HE2 MET 1 HE2 MET 1 19.762 -2.315 55.809 11 HE3 MET 1 HE3 MET 1 20.206 -1.267 57.158 12 H GLY 2 H GLY 2 20.806 -8.044 56.633 13 HA2 GLY 2 HA2 GLY 2 20.662 -8.677 54.144 14 HA3 GLY 2 HA3 GLY 2 22.420 -8.593 54.207 15 H HIS 3 H HIS 3 22.657 -10.783 53.679 16 HA HIS 3 HA HIS 3 22.680 -12.563 55.944 17 HB2 HIS 3 HB2 HIS 3 20.337 -12.892 55.089 18 HB3 HIS 3 HB3 HIS 3 20.987 -13.381 53.530 19 HD1 HIS 3 HD1 HIS 3 21.006 -14.528 57.161 20 HD2 HIS 3 HD2 HIS 3 21.517 -16.057 53.343 21 HE1 HIS 3 HE1 HIS 3 21.174 -17.010 57.448 22 HE2 HIS 3 HE2 HIS 3 21.657 -17.887 55.144 23 H HIS 4 H HIS 4 22.941 -12.465 52.344 24 HA HIS 4 HA HIS 4 25.757 -12.968 52.400 25 HB2 HIS 4 HB2 HIS 4 25.720 -15.105 51.045 26 HB3 HIS 4 HB3 HIS 4 25.170 -15.294 52.697 27 HD1 HIS 4 HD1 HIS 4 23.591 -17.223 52.530 28 HD2 HIS 4 HD2 HIS 4 22.849 -14.400 49.577 29 HE1 HIS 4 HE1 HIS 4 21.533 -18.007 51.335 30 HE2 HIS 4 HE2 HIS 4 21.173 -16.343 49.488 31 H HIS 5 H HIS 5 26.767 -12.906 50.313 32 HA HIS 5 HA HIS 5 25.144 -12.207 47.957 33 HB2 HIS 5 HB2 HIS 5 27.443 -10.510 49.041 34 HB3 HIS 5 HB3 HIS 5 26.842 -10.365 47.391 35 HD1 HIS 5 HD1 HIS 5 26.103 -9.355 50.882 36 HD2 HIS 5 HD2 HIS 5 24.195 -9.264 47.190 37 HE1 HIS 5 HE1 HIS 5 24.163 -7.799 51.160 38 HE2 HIS 5 HE2 HIS 5 22.939 -7.877 48.970 39 H HIS 6 H HIS 6 26.012 -12.964 46.055 40 HA HIS 6 HA HIS 6 28.608 -14.408 46.133 41 HB2 HIS 6 HB2 HIS 6 26.067 -15.307 44.694 42 HB3 HIS 6 HB3 HIS 6 27.616 -16.147 44.674 43 HD1 HIS 6 HD1 HIS 6 24.453 -16.101 46.408 44 HD2 HIS 6 HD2 HIS 6 28.365 -17.056 47.430 45 HE1 HIS 6 HE1 HIS 6 24.291 -17.463 48.504 46 HE2 HIS 6 HE2 HIS 6 26.646 -18.207 48.974 47 H HIS 7 H HIS 7 29.993 -13.500 44.753 48 HA HIS 7 HA HIS 7 29.352 -12.838 42.047 49 HB2 HIS 7 HB2 HIS 7 29.945 -10.398 42.189 50 HB3 HIS 7 HB3 HIS 7 28.433 -10.791 42.987 51 HD1 HIS 7 HD1 HIS 7 31.682 -9.192 43.560 52 HD2 HIS 7 HD2 HIS 7 28.675 -10.813 45.920 53 HE1 HIS 7 HE1 HIS 7 32.107 -8.336 45.873 54 HE2 HIS 7 HE2 HIS 7 30.157 -9.173 47.226 55 H HIS 8 H HIS 8 31.004 -14.518 42.066 56 HA HIS 8 HA HIS 8 33.714 -13.326 41.905 57 HB2 HIS 8 HB2 HIS 8 32.978 -16.067 43.012 58 HB3 HIS 8 HB3 HIS 8 34.606 -15.688 42.454 59 HD1 HIS 8 HD1 HIS 8 33.108 -16.093 45.517 60 HD2 HIS 8 HD2 HIS 8 35.237 -12.915 43.896 61 HE1 HIS 8 HE1 HIS 8 33.936 -14.760 47.470 62 HE2 HIS 8 HE2 HIS 8 35.408 -12.986 46.461 63 H SER 9 H SER 9 34.642 -13.535 39.987 64 HA SER 9 HA SER 9 33.955 -15.657 38.098 65 HB2 SER 9 HB2 SER 9 33.623 -12.696 37.390 66 HB3 SER 9 HB3 SER 9 33.487 -14.040 36.255 67 HG SER 9 HG SER 9 31.833 -14.629 38.169 68 H HIS 10 H HIS 10 35.661 -16.080 36.675 69 HA HIS 10 HA HIS 10 38.228 -14.799 37.164 70 HB2 HIS 10 HB2 HIS 10 39.183 -16.487 35.675 71 HB3 HIS 10 HB3 HIS 10 38.086 -17.280 36.799 72 HD1 HIS 10 HD1 HIS 10 38.897 -17.125 33.292 73 HD2 HIS 10 HD2 HIS 10 35.434 -17.795 35.472 74 HE1 HIS 10 HE1 HIS 10 37.298 -18.202 31.702 75 HE2 HIS 10 HE2 HIS 10 35.252 -18.708 33.081 76 H MET 11 H MET 11 39.111 -13.221 35.916 77 HA MET 11 HA MET 11 37.715 -12.257 33.504 78 HB2 MET 11 HB2 MET 11 39.139 -10.282 33.630 79 HB3 MET 11 HB3 MET 11 38.419 -10.576 35.205 80 HG2 MET 11 HG2 MET 11 41.260 -11.280 34.435 81 HG3 MET 11 HG3 MET 11 40.774 -9.844 35.338 82 HE1 MET 11 HE1 MET 11 42.546 -10.481 37.248 83 HE2 MET 11 HE2 MET 11 43.015 -11.929 36.355 84 HE3 MET 11 HE3 MET 11 42.578 -12.047 38.058 85 H GLY 12 H GLY 12 40.534 -14.031 34.472 86 HA2 GLY 12 HA2 GLY 12 41.903 -15.399 33.205 87 HA3 GLY 12 HA3 GLY 12 41.214 -14.726 31.733 88 H ASP 13 H ASP 13 43.492 -14.784 31.049 89 HA ASP 13 HA ASP 13 44.716 -12.181 31.255 90 HB2 ASP 13 HB2 ASP 13 45.726 -13.195 33.244 91 HB3 ASP 13 HB3 ASP 13 46.171 -14.641 32.338 92 H GLY 14 H GLY 14 45.395 -11.695 29.263 93 HA2 GLY 14 HA2 GLY 14 45.384 -13.516 27.087 94 HA3 GLY 14 HA3 GLY 14 45.987 -11.863 27.062 95 H GLU 15 H GLU 15 46.939 -14.841 26.359 96 HA GLU 15 HA GLU 15 49.541 -14.931 27.671 97 HB2 GLU 15 HB2 GLU 15 48.304 -16.731 25.551 98 HB3 GLU 15 HB3 GLU 15 49.820 -17.051 26.386 99 HG2 GLU 15 HG2 GLU 15 48.593 -17.195 28.543 100 HG3 GLU 15 HG3 GLU 15 47.085 -16.890 27.688 101 H GLY 16 H GLY 16 51.537 -14.843 26.611 102 HA2 GLY 16 HA2 GLY 16 51.766 -13.095 24.317 103 HA3 GLY 16 HA3 GLY 16 53.080 -13.834 25.224 104 H ALA 17 H ALA 17 52.398 -13.614 22.269 105 HA ALA 17 HA ALA 17 52.850 -16.411 21.498 106 HB1 ALA 17 HB1 ALA 17 51.085 -16.352 19.773 107 HB2 ALA 17 HB2 ALA 17 50.602 -14.741 20.307 108 HB3 ALA 17 HB3 ALA 17 50.396 -16.123 21.382 109 H GLY 18 H GLY 18 52.381 -13.112 20.234 110 HA2 GLY 18 HA2 GLY 18 53.992 -11.869 18.990 111 HA3 GLY 18 HA3 GLY 18 54.770 -13.370 18.494 112 H VAL 19 H VAL 19 52.566 -10.959 17.584 113 HA VAL 19 HA VAL 19 51.171 -12.679 15.614 114 HB VAL 19 HB VAL 19 49.392 -11.005 15.564 115 HG11 VAL 19 HG11 VAL 19 49.206 -12.779 17.237 116 HG12 VAL 19 HG12 VAL 19 48.488 -11.292 17.851 117 HG13 VAL 19 HG13 VAL 19 50.079 -11.798 18.419 118 HG21 VAL 19 HG21 VAL 19 50.989 -9.408 17.614 119 HG22 VAL 19 HG22 VAL 19 49.339 -9.053 17.100 120 HG23 VAL 19 HG23 VAL 19 50.663 -8.934 15.943 121 H LEU 20 H LEU 20 50.431 -11.391 13.674 122 HA LEU 20 HA LEU 20 52.300 -9.413 12.611 123 HB2 LEU 20 HB2 LEU 20 52.486 -10.869 10.458 124 HB3 LEU 20 HB3 LEU 20 53.469 -11.285 11.841 125 HG LEU 20 HG LEU 20 51.787 -13.108 12.405 126 HD11 LEU 20 HD11 LEU 20 50.679 -12.552 9.640 127 HD12 LEU 20 HD12 LEU 20 49.829 -12.341 11.171 128 HD13 LEU 20 HD13 LEU 20 50.296 -13.955 10.644 129 HD21 LEU 20 HD21 LEU 20 52.659 -14.701 10.745 130 HD22 LEU 20 HD22 LEU 20 53.932 -13.632 11.328 131 HD23 LEU 20 HD23 LEU 20 53.217 -13.362 9.738 132 H GLY 21 H GLY 21 51.506 -8.661 10.372 133 HA2 GLY 21 HA2 GLY 21 48.658 -8.985 9.829 134 HA3 GLY 21 HA3 GLY 21 49.116 -7.403 10.453 135 H LEU 22 H LEU 22 50.344 -9.735 8.082 136 HA LEU 22 HA LEU 22 51.281 -7.816 6.183 137 HB2 LEU 22 HB2 LEU 22 50.581 -10.757 5.774 138 HB3 LEU 22 HB3 LEU 22 51.410 -9.758 4.600 139 HG LEU 22 HG LEU 22 53.081 -11.117 5.591 140 HD11 LEU 22 HD11 LEU 22 53.313 -8.415 6.943 141 HD12 LEU 22 HD12 LEU 22 53.797 -8.800 5.292 142 HD13 LEU 22 HD13 LEU 22 54.631 -9.552 6.646 143 HD21 LEU 22 HD21 LEU 22 53.497 -11.364 7.999 144 HD22 LEU 22 HD22 LEU 22 51.880 -11.913 7.566 145 HD23 LEU 22 HD23 LEU 22 52.094 -10.349 8.354 146 H SER 23 H SER 23 48.310 -9.610 6.651 147 HA SER 23 HA SER 23 46.912 -8.840 4.307 148 HB2 SER 23 HB2 SER 23 46.306 -10.785 5.790 149 HB3 SER 23 HB3 SER 23 45.777 -9.646 7.029 150 HG SER 23 HG SER 23 44.045 -9.165 5.864 151 H ALA 24 H ALA 24 46.826 -6.698 3.884 152 HA ALA 24 HA ALA 24 45.319 -4.875 5.555 153 HB1 ALA 24 HB1 ALA 24 47.101 -3.182 5.783 154 HB2 ALA 24 HB2 ALA 24 48.263 -4.275 5.026 155 HB3 ALA 24 HB3 ALA 24 47.560 -4.680 6.592 156 H SER 25 H SER 25 45.521 -2.551 4.449 157 HA SER 25 HA SER 25 45.054 -1.184 2.713 158 HB2 SER 25 HB2 SER 25 46.614 -3.171 0.996 159 HB3 SER 25 HB3 SER 25 46.199 -1.517 0.536 160 HG SER 25 HG SER 25 47.390 -1.425 2.898 161 H ALA 26 H ALA 26 43.303 -3.580 3.341 162 HA ALA 26 HA ALA 26 41.609 -3.490 0.916 163 HB1 ALA 26 HB1 ALA 26 42.714 -5.697 1.013 164 HB2 ALA 26 HB2 ALA 26 40.979 -5.846 1.295 165 HB3 ALA 26 HB3 ALA 26 42.106 -5.942 2.651 166 H GLU 27 H GLU 27 39.560 -2.993 1.316 167 HA GLU 27 HA GLU 27 38.617 -2.148 3.865 168 HB2 GLU 27 HB2 GLU 27 37.892 -1.157 1.676 169 HB3 GLU 27 HB3 GLU 27 37.050 -2.653 1.294 170 HG2 GLU 27 HG2 GLU 27 35.551 -2.318 3.236 171 HG3 GLU 27 HG3 GLU 27 36.390 -0.815 3.632 172 H CYS 28 H CYS 28 38.761 -3.923 5.233 173 HA CYS 28 HA CYS 28 36.694 -6.006 5.024 174 HB2 CYS 28 HB2 CYS 28 39.622 -6.620 5.618 175 HB3 CYS 28 HB3 CYS 28 38.308 -7.787 5.559 176 HG CYS 28 HG CYS 28 38.054 -6.589 2.694 177 H HIS 29 H HIS 29 36.898 -7.347 7.236 178 HA HIS 29 HA HIS 29 36.361 -5.486 9.361 179 HB2 HIS 29 HB2 HIS 29 36.616 -8.539 9.423 180 HB3 HIS 29 HB3 HIS 29 36.010 -7.546 10.748 181 HD1 HIS 29 HD1 HIS 29 33.648 -6.534 10.503 182 HD2 HIS 29 HD2 HIS 29 34.777 -8.914 7.293 183 HE1 HIS 29 HE1 HIS 29 31.549 -6.943 9.200 184 HE2 HIS 29 HE2 HIS 29 32.303 -8.204 7.156 185 H LEU 30 H LEU 30 37.947 -4.479 10.431 186 HA LEU 30 HA LEU 30 40.659 -5.613 10.578 187 HB2 LEU 30 HB2 LEU 30 39.624 -2.862 11.377 188 HB3 LEU 30 HB3 LEU 30 41.309 -3.353 11.371 189 HG LEU 30 HG LEU 30 39.550 -3.084 8.901 190 HD11 LEU 30 HD11 LEU 30 41.782 -1.272 9.893 191 HD12 LEU 30 HD12 LEU 30 40.061 -0.889 9.881 192 HD13 LEU 30 HD13 LEU 30 40.922 -1.105 8.359 193 HD21 LEU 30 HD21 LEU 30 41.250 -4.818 8.577 194 HD22 LEU 30 HD22 LEU 30 42.517 -3.705 9.098 195 HD23 LEU 30 HD23 LEU 30 41.625 -3.396 7.607 196 H CYS 31 H CYS 31 41.502 -6.406 12.462 197 HA CYS 31 HA CYS 31 40.143 -6.226 15.014 198 HB2 CYS 31 HB2 CYS 31 41.646 -8.140 14.516 199 HB3 CYS 31 HB3 CYS 31 43.010 -7.040 14.317 200 HA PRO 32 HA PRO 32 41.171 -1.786 14.772 201 HB2 PRO 32 HB2 PRO 32 40.494 -1.172 17.471 202 HB3 PRO 32 HB3 PRO 32 39.423 -1.107 16.071 203 HG2 PRO 32 HG2 PRO 32 39.778 -3.319 18.080 204 HG3 PRO 32 HG3 PRO 32 38.288 -2.720 17.316 205 HD2 PRO 32 HD2 PRO 32 39.399 -5.002 16.502 206 HD3 PRO 32 HD3 PRO 32 38.725 -3.869 15.307 207 H VAL 33 H VAL 33 42.609 -3.811 17.273 208 HA VAL 33 HA VAL 33 44.421 -1.754 18.247 209 HB VAL 33 HB VAL 33 44.437 -4.696 19.043 210 HG11 VAL 33 HG11 VAL 33 45.264 -2.198 20.573 211 HG12 VAL 33 HG12 VAL 33 46.346 -3.392 19.857 212 HG13 VAL 33 HG13 VAL 33 45.304 -3.851 21.202 213 HG21 VAL 33 HG21 VAL 33 42.818 -4.156 20.842 214 HG22 VAL 33 HG22 VAL 33 42.115 -3.904 19.245 215 HG23 VAL 33 HG23 VAL 33 42.644 -2.518 20.198 216 H CYS 34 H CYS 34 44.554 -4.245 15.829 217 HA CYS 34 HA CYS 34 47.346 -3.549 15.205 218 HB2 CYS 34 HB2 CYS 34 48.000 -5.870 14.789 219 HB3 CYS 34 HB3 CYS 34 47.440 -5.717 16.446 220 H GLY 35 H GLY 35 47.633 -3.139 13.058 221 HA2 GLY 35 HA2 GLY 35 45.528 -3.060 11.182 222 HA3 GLY 35 HA3 GLY 35 47.244 -2.907 10.807 223 H GLU 36 H GLU 36 44.562 -4.754 10.211 224 HA GLU 36 HA GLU 36 45.730 -7.216 9.412 225 HB2 GLU 36 HB2 GLU 36 46.254 -7.273 11.859 226 HB3 GLU 36 HB3 GLU 36 44.546 -7.140 12.238 227 HG2 GLU 36 HG2 GLU 36 44.186 -9.358 11.158 228 HG3 GLU 36 HG3 GLU 36 45.928 -9.472 10.889 229 H SER 37 H SER 37 44.245 -7.350 7.784 230 HA SER 37 HA SER 37 41.420 -6.728 8.246 231 HB2 SER 37 HB2 SER 37 41.309 -6.766 5.731 232 HB3 SER 37 HB3 SER 37 42.473 -5.609 6.375 233 HG SER 37 HG SER 37 42.877 -7.624 4.679 234 H PHE 38 H PHE 38 39.844 -8.186 8.266 235 HA PHE 38 HA PHE 38 40.373 -11.047 7.672 236 HB2 PHE 38 HB2 PHE 38 38.621 -9.832 9.862 237 HB3 PHE 38 HB3 PHE 38 38.643 -11.543 9.451 238 HD1 PHE 38 HD2 PHE 38 40.828 -12.847 9.738 239 HD2 PHE 38 HD1 PHE 38 40.228 -8.949 11.406 240 HE1 PHE 38 HE2 PHE 38 42.604 -13.279 11.383 241 HE2 PHE 38 HE1 PHE 38 42.008 -9.389 13.034 242 HZ PHE 38 HZ PHE 38 43.187 -11.553 13.039 243 H ALA 39 H ALA 39 38.746 -12.179 6.607 244 HA ALA 39 HA ALA 39 36.929 -10.699 4.950 245 HB1 ALA 39 HB1 ALA 39 36.250 -12.914 4.099 246 HB2 ALA 39 HB2 ALA 39 37.132 -13.699 5.413 247 HB3 ALA 39 HB3 ALA 39 38.008 -12.782 4.187 248 H SER 40 H SER 40 36.593 -12.488 7.990 249 HA SER 40 HA SER 40 33.679 -11.927 8.043 250 HB2 SER 40 HB2 SER 40 33.441 -13.908 9.504 251 HB3 SER 40 HB3 SER 40 34.184 -14.350 7.967 252 HG SER 40 HG SER 40 36.029 -14.756 8.952 253 H LYS 41 H LYS 41 32.743 -11.280 10.016 254 HA LYS 41 HA LYS 41 34.309 -9.542 11.674 255 HB2 LYS 41 HB2 LYS 41 32.197 -9.092 12.862 256 HB3 LYS 41 HB3 LYS 41 31.976 -9.008 11.120 257 HG2 LYS 41 HG2 LYS 41 30.950 -11.287 11.154 258 HG3 LYS 41 HG3 LYS 41 31.134 -11.324 12.910 259 HD2 LYS 41 HD2 LYS 41 29.641 -9.334 13.088 260 HD3 LYS 41 HD3 LYS 41 29.441 -9.342 11.336 261 HE2 LYS 41 HE2 LYS 41 28.392 -11.593 11.479 262 HE3 LYS 41 HE3 LYS 41 28.560 -11.551 13.233 263 HZ1 LYS 41 HZ1 LYS 41 27.158 -9.545 13.229 264 HZ2 LYS 41 HZ2 LYS 41 26.354 -10.907 12.633 265 HZ3 LYS 41 HZ3 LYS 41 26.924 -9.725 11.565 266 H GLY 42 H GLY 42 33.368 -12.871 11.898 267 HA2 GLY 42 HA2 GLY 42 33.752 -13.273 14.712 268 HA3 GLY 42 HA3 GLY 42 33.685 -14.513 13.469 269 H ALA 43 H ALA 43 35.808 -13.675 11.832 270 HA ALA 43 HA ALA 43 38.119 -14.633 13.212 271 HB1 ALA 43 HB1 ALA 43 37.948 -13.234 10.519 272 HB2 ALA 43 HB2 ALA 43 37.790 -14.971 10.788 273 HB3 ALA 43 HB3 ALA 43 39.320 -14.161 11.123 274 H GLN 44 H GLN 44 36.805 -11.456 12.562 275 HA GLN 44 HA GLN 44 39.007 -9.830 13.291 276 HB2 GLN 44 HB2 GLN 44 37.142 -8.870 12.083 277 HB3 GLN 44 HB3 GLN 44 36.006 -9.361 13.333 278 HG2 GLN 44 HG2 GLN 44 37.187 -7.755 14.912 279 HG3 GLN 44 HG3 GLN 44 38.097 -7.173 13.521 280 HE21 GLN 44 HE21 GLN 44 34.920 -7.375 14.989 281 HE22 GLN 44 HE22 GLN 44 34.200 -6.107 14.060 282 H GLU 45 H GLU 45 36.122 -10.807 15.215 283 HA GLU 45 HA GLU 45 37.049 -9.421 17.541 284 HB2 GLU 45 HB2 GLU 45 35.009 -10.284 18.665 285 HB3 GLU 45 HB3 GLU 45 34.674 -9.495 17.133 286 HG2 GLU 45 HG2 GLU 45 33.224 -11.346 17.210 287 HG3 GLU 45 HG3 GLU 45 34.503 -11.803 16.094 288 H ARG 46 H ARG 46 37.580 -12.637 16.353 289 HA ARG 46 HA ARG 46 38.096 -13.848 18.899 290 HB2 ARG 46 HB2 ARG 46 38.789 -15.798 17.762 291 HB3 ARG 46 HB3 ARG 46 37.515 -15.117 16.762 292 HG2 ARG 46 HG2 ARG 46 39.235 -14.194 15.223 293 HG3 ARG 46 HG3 ARG 46 40.495 -14.913 16.226 294 HD2 ARG 46 HD2 ARG 46 38.378 -16.371 14.626 295 HD3 ARG 46 HD3 ARG 46 40.116 -16.360 14.327 296 HE ARG 46 HE ARG 46 38.841 -17.594 16.700 297 HH11 ARG 46 HH11 ARG 46 41.389 -17.656 14.285 298 HH12 ARG 46 HH12 ARG 46 41.997 -19.193 14.817 299 HH21 ARG 46 HH21 ARG 46 39.659 -19.563 17.389 300 HH22 ARG 46 HH22 ARG 46 41.023 -20.271 16.582 301 H HIS 47 H HIS 47 40.115 -12.022 16.582 302 HA HIS 47 HA HIS 47 42.595 -12.574 17.917 303 HB2 HIS 47 HB2 HIS 47 42.148 -11.318 15.551 304 HB3 HIS 47 HB3 HIS 47 42.285 -9.878 16.554 305 HD2 HIS 47 HD2 HIS 47 44.391 -12.960 15.448 306 HE1 HIS 47 HE1 HIS 47 47.073 -10.121 17.031 307 HE2 HIS 47 HE2 HIS 47 46.848 -12.229 15.670 308 H LEU 48 H LEU 48 40.122 -10.121 18.176 309 HA LEU 48 HA LEU 48 41.183 -8.564 20.277 310 HB2 LEU 48 HB2 LEU 48 38.312 -9.071 19.425 311 HB3 LEU 48 HB3 LEU 48 38.779 -7.866 20.608 312 HG LEU 48 HG LEU 48 39.636 -7.839 17.695 313 HD11 LEU 48 HD11 LEU 48 37.560 -6.124 19.103 314 HD12 LEU 48 HD12 LEU 48 37.225 -7.395 17.924 315 HD13 LEU 48 HD13 LEU 48 38.096 -5.947 17.430 316 HD21 LEU 48 HD21 LEU 48 41.318 -6.784 19.158 317 HD22 LEU 48 HD22 LEU 48 40.072 -5.758 19.875 318 HD23 LEU 48 HD23 LEU 48 40.495 -5.578 18.172 319 H ARG 49 H ARG 49 39.373 -11.568 20.260 320 HA ARG 49 HA ARG 49 38.574 -11.541 23.011 321 HB2 ARG 49 HB2 ARG 49 37.362 -12.759 21.160 322 HB3 ARG 49 HB3 ARG 49 38.707 -13.889 21.070 323 HG2 ARG 49 HG2 ARG 49 38.210 -14.356 23.586 324 HG3 ARG 49 HG3 ARG 49 36.676 -13.541 23.283 325 HD2 ARG 49 HD2 ARG 49 37.710 -16.055 21.940 326 HD3 ARG 49 HD3 ARG 49 36.351 -15.926 23.057 327 HE ARG 49 HE ARG 49 35.723 -14.274 20.914 328 HH11 ARG 49 HH11 ARG 49 36.439 -17.703 21.316 329 HH12 ARG 49 HH12 ARG 49 35.387 -18.189 20.028 330 HH21 ARG 49 HH21 ARG 49 34.395 -14.956 19.193 331 HH22 ARG 49 HH22 ARG 49 34.243 -16.650 18.848 332 H LEU 50 H LEU 50 41.231 -12.941 21.163 333 HA LEU 50 HA LEU 50 42.176 -14.519 23.484 334 HB2 LEU 50 HB2 LEU 50 42.817 -14.858 20.529 335 HB3 LEU 50 HB3 LEU 50 43.316 -15.938 21.822 336 HG LEU 50 HG LEU 50 40.429 -15.462 20.966 337 HD11 LEU 50 HD11 LEU 50 41.643 -16.673 19.224 338 HD12 LEU 50 HD12 LEU 50 40.485 -17.734 20.023 339 HD13 LEU 50 HD13 LEU 50 42.203 -17.857 20.410 340 HD21 LEU 50 HD21 LEU 50 39.856 -17.351 22.435 341 HD22 LEU 50 HD22 LEU 50 40.564 -16.028 23.354 342 HD23 LEU 50 HD23 LEU 50 41.531 -17.456 22.980 343 H LEU 51 H LEU 51 43.668 -12.907 20.643 344 HA LEU 51 HA LEU 51 46.223 -12.766 22.071 345 HB2 LEU 51 HB2 LEU 51 45.529 -12.182 19.169 346 HB3 LEU 51 HB3 LEU 51 47.154 -12.230 19.838 347 HG LEU 51 HG LEU 51 45.256 -14.612 19.675 348 HD11 LEU 51 HD11 LEU 51 46.088 -13.979 17.459 349 HD12 LEU 51 HD12 LEU 51 46.774 -15.517 17.976 350 HD13 LEU 51 HD13 LEU 51 47.752 -14.049 18.048 351 HD21 LEU 51 HD21 LEU 51 46.717 -14.796 21.647 352 HD22 LEU 51 HD22 LEU 51 48.143 -14.529 20.639 353 HD23 LEU 51 HD23 LEU 51 47.166 -15.983 20.425 354 H HIS 52 H HIS 52 43.626 -10.739 21.677 355 HA HIS 52 HA HIS 52 45.164 -8.392 22.457 356 HB2 HIS 52 HB2 HIS 52 43.607 -8.621 19.898 357 HB3 HIS 52 HB3 HIS 52 43.269 -7.155 20.818 358 HD2 HIS 52 HD2 HIS 52 46.440 -6.930 21.905 359 HE1 HIS 52 HE1 HIS 52 47.146 -6.044 17.884 360 HE2 HIS 52 HE2 HIS 52 48.124 -6.107 20.171 361 H ALA 53 H ALA 53 43.888 -10.160 24.015 362 HA ALA 53 HA ALA 53 41.168 -9.657 24.639 363 HB1 ALA 53 HB1 ALA 53 42.302 -11.782 25.136 364 HB2 ALA 53 HB2 ALA 53 41.574 -11.093 26.585 365 HB3 ALA 53 HB3 ALA 53 43.319 -10.977 26.333 366 H ALA 54 H ALA 54 44.085 -8.060 25.597 367 HA ALA 54 HA ALA 54 43.238 -6.957 28.098 368 HB1 ALA 54 HB1 ALA 54 45.274 -5.590 27.936 369 HB2 ALA 54 HB2 ALA 54 45.476 -6.061 26.247 370 HB3 ALA 54 HB3 ALA 54 45.612 -7.271 27.521 371 H GLN 55 H GLN 55 42.155 -6.222 25.012 372 HA GLN 55 HA GLN 55 41.464 -3.419 25.695 373 HB2 GLN 55 HB2 GLN 55 41.998 -4.694 22.980 374 HB3 GLN 55 HB3 GLN 55 41.291 -3.091 23.167 375 HG2 GLN 55 HG2 GLN 55 44.027 -3.908 24.191 376 HG3 GLN 55 HG3 GLN 55 43.732 -3.034 22.692 377 HE21 GLN 55 HE21 GLN 55 43.773 -2.796 26.189 378 HE22 GLN 55 HE22 GLN 55 43.669 -1.070 26.265 379 H VAL 56 H VAL 56 40.080 -6.328 25.850 380 HA VAL 56 HA VAL 56 37.425 -5.296 24.997 381 HB VAL 56 HB VAL 56 36.706 -7.568 24.336 382 HG11 VAL 56 HG11 VAL 56 37.541 -6.039 22.600 383 HG12 VAL 56 HG12 VAL 56 37.888 -7.719 22.198 384 HG13 VAL 56 HG13 VAL 56 39.176 -6.678 22.805 385 HG21 VAL 56 HG21 VAL 56 38.221 -8.936 25.726 386 HG22 VAL 56 HG22 VAL 56 39.604 -8.424 24.752 387 HG23 VAL 56 HG23 VAL 56 38.333 -9.411 24.030 388 H PHE 57 H PHE 57 35.654 -6.190 26.058 389 HA PHE 57 HA PHE 57 36.045 -7.410 28.712 390 HB2 PHE 57 HB2 PHE 57 34.167 -5.092 28.025 391 HB3 PHE 57 HB3 PHE 57 34.297 -5.886 29.590 392 HD1 PHE 57 HD2 PHE 57 35.968 -3.569 27.229 393 HD2 PHE 57 HD1 PHE 57 36.178 -5.405 31.093 394 HE1 PHE 57 HE2 PHE 57 37.728 -1.988 27.890 395 HE2 PHE 57 HE1 PHE 57 37.949 -3.824 31.738 396 HZ PHE 57 HZ PHE 57 38.720 -2.113 30.143 397 HA PRO 58 HA PRO 58 32.914 -9.867 26.270 398 HB2 PRO 58 HB2 PRO 58 33.689 -12.345 27.086 399 HB3 PRO 58 HB3 PRO 58 34.563 -11.457 25.829 400 HG2 PRO 58 HG2 PRO 58 35.220 -11.728 28.760 401 HG3 PRO 58 HG3 PRO 58 36.293 -11.883 27.351 402 HD2 PRO 58 HD2 PRO 58 36.123 -9.584 28.845 403 HD3 PRO 58 HD3 PRO 58 36.517 -9.579 27.109 404 H CYS 59 H CYS 59 30.909 -10.440 26.961 405 HA CYS 59 HA CYS 59 30.083 -10.142 29.690 406 HB2 CYS 59 HB2 CYS 59 28.509 -9.581 27.938 407 HB3 CYS 59 HB3 CYS 59 28.610 -11.198 27.255 408 H LYS 60 H LYS 60 30.559 -11.533 31.211 409 HA LYS 60 HA LYS 60 32.269 -13.551 30.999 410 HB2 LYS 60 HB2 LYS 60 31.698 -14.181 33.361 411 HB3 LYS 60 HB3 LYS 60 31.874 -12.448 33.101 412 HG2 LYS 60 HG2 LYS 60 29.413 -12.193 33.036 413 HG3 LYS 60 HG3 LYS 60 29.228 -13.931 33.270 414 HD2 LYS 60 HD2 LYS 60 28.847 -12.816 35.386 415 HD3 LYS 60 HD3 LYS 60 30.353 -13.729 35.487 416 HE2 LYS 60 HE2 LYS 60 31.652 -11.678 35.208 417 HE3 LYS 60 HE3 LYS 60 30.171 -10.747 34.961 418 HZ1 LYS 60 HZ1 LYS 60 31.083 -10.576 37.222 419 HZ2 LYS 60 HZ2 LYS 60 30.821 -12.234 37.445 420 HZ3 LYS 60 HZ3 LYS 60 29.507 -11.195 37.197 421 H TYR 61 H TYR 61 28.737 -14.249 31.201 422 HA TYR 61 HA TYR 61 29.140 -17.075 31.546 423 HB2 TYR 61 HB2 TYR 61 26.580 -15.552 30.889 424 HB3 TYR 61 HB3 TYR 61 26.657 -17.248 31.362 425 HD1 TYR 61 HD1 TYR 61 27.991 -17.681 33.656 426 HD2 TYR 61 HD2 TYR 61 26.080 -13.995 32.629 427 HE1 TYR 61 HE1 TYR 61 27.873 -17.073 36.029 428 HE2 TYR 61 HE2 TYR 61 25.980 -13.390 34.997 429 HH TYR 61 HH TYR 61 26.010 -14.496 37.172 430 H CYS 62 H CYS 62 28.406 -15.043 28.756 431 HA CYS 62 HA CYS 62 28.025 -17.430 27.048 432 HB2 CYS 62 HB2 CYS 62 26.758 -15.967 25.530 433 HB3 CYS 62 HB3 CYS 62 26.083 -15.891 27.150 434 HA PRO 63 HA PRO 63 31.664 -16.058 24.622 435 HB2 PRO 63 HB2 PRO 63 31.109 -17.235 22.203 436 HB3 PRO 63 HB3 PRO 63 31.701 -18.146 23.599 437 HG2 PRO 63 HG2 PRO 63 28.868 -17.849 22.602 438 HG3 PRO 63 HG3 PRO 63 29.713 -19.317 23.144 439 HD2 PRO 63 HD2 PRO 63 27.996 -17.946 24.758 440 HD3 PRO 63 HD3 PRO 63 29.409 -18.804 25.404 441 H ALA 64 H ALA 64 30.791 -13.884 24.899 442 HA ALA 64 HA ALA 64 29.935 -12.610 22.391 443 HB1 ALA 64 HB1 ALA 64 28.274 -11.212 23.580 444 HB2 ALA 64 HB2 ALA 64 28.583 -12.100 25.075 445 HB3 ALA 64 HB3 ALA 64 27.852 -12.921 23.697 446 H THR 65 H THR 65 31.938 -11.739 22.120 447 HA THR 65 HA THR 65 33.316 -10.416 24.344 448 HB THR 65 HB THR 65 34.324 -10.933 21.506 449 HG1 THR 65 HG1 THR 65 33.854 -12.873 22.629 450 HG21 THR 65 HG21 THR 65 36.558 -10.628 22.538 451 HG22 THR 65 HG22 THR 65 35.785 -10.250 24.082 452 HG23 THR 65 HG23 THR 65 35.574 -9.171 22.702 453 H PHE 66 H PHE 66 32.938 -8.334 24.659 454 HA PHE 66 HA PHE 66 32.146 -6.532 22.449 455 HB2 PHE 66 HB2 PHE 66 31.950 -6.175 25.500 456 HB3 PHE 66 HB3 PHE 66 31.423 -4.987 24.298 457 HD1 PHE 66 HD2 PHE 66 29.461 -5.452 22.836 458 HD2 PHE 66 HD1 PHE 66 30.592 -8.150 25.966 459 HE1 PHE 66 HE2 PHE 66 27.266 -6.540 22.694 460 HE2 PHE 66 HE1 PHE 66 28.398 -9.240 25.799 461 HZ PHE 66 HZ PHE 66 26.732 -8.439 24.170 462 H TYR 67 H TYR 67 33.450 -4.840 21.856 463 HA TYR 67 HA TYR 67 36.196 -4.823 22.784 464 HB2 TYR 67 HB2 TYR 67 35.635 -4.485 20.376 465 HB3 TYR 67 HB3 TYR 67 34.778 -3.004 20.779 466 HD1 TYR 67 HD1 TYR 67 38.193 -4.506 21.297 467 HD2 TYR 67 HD2 TYR 67 35.954 -0.986 20.373 468 HE1 TYR 67 HE1 TYR 67 40.277 -3.244 21.046 469 HE2 TYR 67 HE2 TYR 67 38.041 0.280 20.120 470 HH TYR 67 HH TYR 67 41.071 -1.175 19.880 471 H SER 68 H SER 68 33.366 -3.360 23.907 472 HA SER 68 HA SER 68 34.844 -1.218 25.313 473 HB2 SER 68 HB2 SER 68 31.995 -1.070 24.225 474 HB3 SER 68 HB3 SER 68 32.811 0.201 25.141 475 HG SER 68 HG SER 68 34.229 -0.691 22.966 476 H SER 69 H SER 69 34.356 -0.897 27.445 477 HA SER 69 HA SER 69 33.307 -3.011 29.009 478 HB2 SER 69 HB2 SER 69 35.122 -1.402 29.725 479 HB3 SER 69 HB3 SER 69 33.878 -0.164 29.930 480 HG SER 69 HG SER 69 32.853 -1.788 31.380 481 HA PRO 70 HA PRO 70 29.283 -0.149 29.482 482 HB2 PRO 70 HB2 PRO 70 28.722 1.329 27.176 483 HB3 PRO 70 HB3 PRO 70 29.420 1.999 28.657 484 HG2 PRO 70 HG2 PRO 70 30.831 1.081 26.152 485 HG3 PRO 70 HG3 PRO 70 31.091 2.563 27.105 486 HD2 PRO 70 HD2 PRO 70 32.742 0.473 27.376 487 HD3 PRO 70 HD3 PRO 70 32.249 1.402 28.805 488 H GLY 71 H GLY 71 30.539 -1.519 26.481 489 HA2 GLY 71 HA2 GLY 71 28.107 -2.628 25.460 490 HA3 GLY 71 HA3 GLY 71 29.740 -3.100 25.012 491 H LEU 72 H LEU 72 30.714 -3.910 27.488 492 HA LEU 72 HA LEU 72 29.879 -6.523 27.977 493 HB2 LEU 72 HB2 LEU 72 32.006 -5.785 28.802 494 HB3 LEU 72 HB3 LEU 72 31.285 -4.441 29.660 495 HG LEU 72 HG LEU 72 30.304 -6.038 31.319 496 HD11 LEU 72 HD11 LEU 72 30.160 -8.045 29.957 497 HD12 LEU 72 HD12 LEU 72 31.087 -8.352 31.421 498 HD13 LEU 72 HD13 LEU 72 31.921 -8.152 29.876 499 HD21 LEU 72 HD21 LEU 72 32.393 -6.516 32.506 500 HD22 LEU 72 HD22 LEU 72 32.428 -4.906 31.791 501 HD23 LEU 72 HD23 LEU 72 33.316 -6.227 31.028 502 H THR 73 H THR 73 29.021 -3.529 29.663 503 HA THR 73 HA THR 73 27.294 -4.554 31.618 504 HB THR 73 HB THR 73 27.170 -1.769 30.369 505 HG1 THR 73 HG1 THR 73 28.902 -2.773 32.395 506 HG21 THR 73 HG21 THR 73 26.547 -2.681 33.221 507 HG22 THR 73 HG22 THR 73 25.351 -2.201 32.016 508 HG23 THR 73 HG23 THR 73 26.499 -1.014 32.627 509 H ARG 74 H ARG 74 26.732 -3.830 28.223 510 HA ARG 74 HA ARG 74 23.917 -3.560 28.287 511 HB2 ARG 74 HB2 ARG 74 25.747 -4.382 26.006 512 HB3 ARG 74 HB3 ARG 74 24.030 -4.079 25.811 513 HG2 ARG 74 HG2 ARG 74 26.130 -2.046 26.621 514 HG3 ARG 74 HG3 ARG 74 25.318 -2.163 25.062 515 HD2 ARG 74 HD2 ARG 74 24.219 -0.391 26.168 516 HD3 ARG 74 HD3 ARG 74 23.122 -1.760 26.353 517 HE ARG 74 HE ARG 74 24.995 -0.903 28.492 518 HH11 ARG 74 HH11 ARG 74 21.745 -1.835 27.541 519 HH12 ARG 74 HH12 ARG 74 21.128 -1.788 29.162 520 HH21 ARG 74 HH21 ARG 74 24.171 -0.848 30.609 521 HH22 ARG 74 HH22 ARG 74 22.503 -1.219 30.900 522 H HIS 75 H HIS 75 25.951 -6.461 27.586 523 HA HIS 75 HA HIS 75 23.563 -8.073 27.206 524 HB2 HIS 75 HB2 HIS 75 26.078 -8.433 26.253 525 HB3 HIS 75 HB3 HIS 75 26.174 -9.503 27.642 526 HD2 HIS 75 HD2 HIS 75 24.229 -9.111 24.290 527 HE1 HIS 75 HE1 HIS 75 23.368 -12.950 25.785 528 HE2 HIS 75 HE2 HIS 75 22.985 -11.331 23.902 529 H ILE 76 H ILE 76 25.525 -7.194 29.946 530 HA ILE 76 HA ILE 76 24.589 -9.318 31.655 531 HB ILE 76 HB ILE 76 25.752 -6.593 32.412 532 HG12 ILE 76 HG12 ILE 76 27.074 -9.348 32.193 533 HG13 ILE 76 HG13 ILE 76 27.402 -7.944 31.186 534 HG21 ILE 76 HG21 ILE 76 26.096 -7.529 34.685 535 HG22 ILE 76 HG22 ILE 76 25.293 -9.024 34.200 536 HG23 ILE 76 HG23 ILE 76 24.385 -7.513 34.259 537 HD11 ILE 76 HD11 ILE 76 28.067 -8.273 34.105 538 HD12 ILE 76 HD12 ILE 76 28.305 -6.783 33.184 539 HD13 ILE 76 HD13 ILE 76 29.185 -8.247 32.742 540 H ASN 77 H ASN 77 23.847 -5.808 31.676 541 HA ASN 77 HA ASN 77 21.770 -5.873 33.494 542 HB2 ASN 77 HB2 ASN 77 22.381 -3.894 31.276 543 HB3 ASN 77 HB3 ASN 77 21.081 -3.627 32.433 544 HD21 ASN 77 HD21 ASN 77 22.069 -1.762 33.256 545 HD22 ASN 77 HD22 ASN 77 23.482 -1.822 34.254 546 H LYS 78 H LYS 78 21.625 -6.416 30.012 547 HA LYS 78 HA LYS 78 18.696 -6.445 29.974 548 HB2 LYS 78 HB2 LYS 78 19.950 -5.400 28.103 549 HB3 LYS 78 HB3 LYS 78 20.713 -6.946 27.745 550 HG2 LYS 78 HG2 LYS 78 18.436 -7.895 27.247 551 HG3 LYS 78 HG3 LYS 78 17.756 -6.285 27.491 552 HD2 LYS 78 HD2 LYS 78 18.057 -6.699 25.091 553 HD3 LYS 78 HD3 LYS 78 19.155 -5.421 25.616 554 HE2 LYS 78 HE2 LYS 78 21.024 -7.017 25.667 555 HE3 LYS 78 HE3 LYS 78 19.935 -8.335 25.226 556 HZ1 LYS 78 HZ1 LYS 78 19.506 -7.206 23.126 557 HZ2 LYS 78 HZ2 LYS 78 21.151 -7.540 23.309 558 HZ3 LYS 78 HZ3 LYS 78 20.572 -5.968 23.549 559 H CYS 79 H CYS 79 21.347 -8.810 29.216 560 HA CYS 79 HA CYS 79 19.254 -10.900 28.889 561 HB2 CYS 79 HB2 CYS 79 20.230 -10.133 26.754 562 HB3 CYS 79 HB3 CYS 79 21.840 -10.566 27.325 563 HG CYS 79 HG CYS 79 19.967 -13.207 27.641 564 H HIS 80 H HIS 80 21.980 -10.137 30.757 565 HA HIS 80 HA HIS 80 22.025 -12.850 31.878 566 HB2 HIS 80 HB2 HIS 80 24.372 -11.527 30.514 567 HB3 HIS 80 HB3 HIS 80 24.740 -12.330 32.039 568 HD2 HIS 80 HD2 HIS 80 23.173 -14.982 31.942 569 HE1 HIS 80 HE1 HIS 80 24.664 -15.616 28.066 570 HE2 HIS 80 HE2 HIS 80 23.437 -16.640 29.999 571 HA PRO 81 HA PRO 81 22.251 -9.243 34.936 572 HB2 PRO 81 HB2 PRO 81 19.697 -8.743 35.614 573 HB3 PRO 81 HB3 PRO 81 20.361 -8.173 34.077 574 HG2 PRO 81 HG2 PRO 81 18.547 -10.506 34.608 575 HG3 PRO 81 HG3 PRO 81 18.540 -9.367 33.247 576 HD2 PRO 81 HD2 PRO 81 19.708 -11.939 33.247 577 HD3 PRO 81 HD3 PRO 81 20.002 -10.665 32.046 578 H SER 82 H SER 82 20.173 -12.141 35.292 579 HA SER 82 HA SER 82 20.190 -12.124 38.156 580 HB2 SER 82 HB2 SER 82 19.089 -14.439 37.792 581 HB3 SER 82 HB3 SER 82 18.229 -13.038 37.149 582 HG SER 82 HG SER 82 19.863 -14.857 35.700 583 H GLU 83 H GLU 83 22.424 -12.014 38.539 584 HA GLU 83 HA GLU 83 24.182 -14.235 37.779 585 HB2 GLU 83 HB2 GLU 83 24.759 -11.605 39.208 586 HB3 GLU 83 HB3 GLU 83 25.980 -12.792 38.752 587 HG2 GLU 83 HG2 GLU 83 25.260 -12.486 36.342 588 HG3 GLU 83 HG3 GLU 83 24.228 -11.165 36.881 589 H ASN 84 H ASN 84 21.953 -14.111 39.968 590 HA ASN 84 HA ASN 84 23.197 -14.980 42.388 591 HB2 ASN 84 HB2 ASN 84 20.878 -15.828 42.946 592 HB3 ASN 84 HB3 ASN 84 20.929 -14.133 42.479 593 HD21 ASN 84 HD21 ASN 84 19.972 -17.349 41.437 594 HD22 ASN 84 HD22 ASN 84 18.923 -16.836 40.166 595 H ARG 85 H ARG 85 23.278 -17.134 43.213 596 HA ARG 85 HA ARG 85 22.992 -19.383 41.346 597 HB2 ARG 85 HB2 ARG 85 25.399 -18.494 41.276 598 HB3 ARG 85 HB3 ARG 85 25.557 -18.949 42.967 599 HG2 ARG 85 HG2 ARG 85 26.551 -20.671 41.569 600 HG3 ARG 85 HG3 ARG 85 25.104 -21.326 42.338 601 HD2 ARG 85 HD2 ARG 85 23.821 -20.929 40.257 602 HD3 ARG 85 HD3 ARG 85 25.274 -20.283 39.487 603 HE ARG 85 HE ARG 85 25.796 -22.886 40.449 604 HH11 ARG 85 HH11 ARG 85 23.967 -21.285 37.912 605 HH12 ARG 85 HH12 ARG 85 24.036 -22.642 36.834 606 HH21 ARG 85 HH21 ARG 85 25.867 -24.661 39.027 607 HH22 ARG 85 HH22 ARG 85 25.111 -24.557 37.469 Start of MODEL 17 1 H1 MET 1 H1 MET 1 63.332 -9.958 37.728 2 H2 MET 1 H2 MET 1 63.632 -10.387 39.338 3 H3 MET 1 H3 MET 1 62.678 -11.380 38.361 4 HA MET 1 HA MET 1 65.525 -10.787 37.911 5 HB2 MET 1 HB2 MET 1 65.984 -13.099 38.670 6 HB3 MET 1 HB3 MET 1 65.221 -12.163 39.943 7 HG2 MET 1 HG2 MET 1 63.071 -13.263 39.496 8 HG3 MET 1 HG3 MET 1 63.806 -14.182 38.180 9 HE1 MET 1 HE1 MET 1 62.992 -16.507 39.214 10 HE2 MET 1 HE2 MET 1 62.186 -15.619 40.511 11 HE3 MET 1 HE3 MET 1 63.264 -16.960 40.896 12 H GLY 2 H GLY 2 66.377 -11.608 36.023 13 HA2 GLY 2 HA2 GLY 2 66.522 -12.592 33.961 14 HA3 GLY 2 HA3 GLY 2 65.132 -13.581 34.366 15 H HIS 3 H HIS 3 65.486 -10.026 34.095 16 HA HIS 3 HA HIS 3 62.950 -9.790 32.765 17 HB2 HIS 3 HB2 HIS 3 63.705 -8.072 34.384 18 HB3 HIS 3 HB3 HIS 3 65.045 -7.640 33.322 19 HD1 HIS 3 HD1 HIS 3 64.539 -6.009 31.436 20 HD2 HIS 3 HD2 HIS 3 61.098 -7.322 33.351 21 HE1 HIS 3 HE1 HIS 3 62.693 -4.581 30.537 22 HE2 HIS 3 HE2 HIS 3 60.668 -5.269 31.855 23 H HIS 4 H HIS 4 63.254 -10.976 30.911 24 HA HIS 4 HA HIS 4 64.329 -9.434 28.634 25 HB2 HIS 4 HB2 HIS 4 64.651 -12.448 29.105 26 HB3 HIS 4 HB3 HIS 4 64.847 -11.698 27.523 27 HD1 HIS 4 HD1 HIS 4 66.764 -12.602 30.462 28 HD2 HIS 4 HD2 HIS 4 67.017 -9.671 27.541 29 HE1 HIS 4 HE1 HIS 4 69.118 -11.748 30.550 30 HE2 HIS 4 HE2 HIS 4 69.214 -9.904 28.851 31 H HIS 5 H HIS 5 63.237 -10.229 26.541 32 HA HIS 5 HA HIS 5 60.374 -10.224 26.981 33 HB2 HIS 5 HB2 HIS 5 60.154 -9.946 24.594 34 HB3 HIS 5 HB3 HIS 5 61.478 -8.928 25.130 35 HD1 HIS 5 HD1 HIS 5 60.869 -12.214 23.337 36 HD2 HIS 5 HD2 HIS 5 63.844 -9.349 23.774 37 HE1 HIS 5 HE1 HIS 5 62.663 -12.853 21.708 38 HE2 HIS 5 HE2 HIS 5 64.359 -11.010 21.874 39 H HIS 6 H HIS 6 62.779 -12.610 26.330 40 HA HIS 6 HA HIS 6 62.876 -14.837 26.232 41 HB2 HIS 6 HB2 HIS 6 60.012 -14.765 27.263 42 HB3 HIS 6 HB3 HIS 6 61.002 -16.215 27.163 43 HD1 HIS 6 HD1 HIS 6 63.138 -16.288 28.799 44 HD2 HIS 6 HD2 HIS 6 60.403 -13.256 29.568 45 HE1 HIS 6 HE1 HIS 6 63.687 -15.443 31.093 46 HE2 HIS 6 HE2 HIS 6 61.923 -13.726 31.596 47 H HIS 7 H HIS 7 62.230 -16.760 25.030 48 HA HIS 7 HA HIS 7 61.125 -16.167 22.414 49 HB2 HIS 7 HB2 HIS 7 62.405 -18.649 23.614 50 HB3 HIS 7 HB3 HIS 7 61.619 -18.699 22.036 51 HD1 HIS 7 HD1 HIS 7 62.858 -17.722 20.068 52 HD2 HIS 7 HD2 HIS 7 64.796 -17.022 23.677 53 HE1 HIS 7 HE1 HIS 7 65.099 -16.784 19.456 54 HE2 HIS 7 HE2 HIS 7 66.265 -16.398 21.649 55 H HIS 8 H HIS 8 59.510 -17.587 21.403 56 HA HIS 8 HA HIS 8 57.393 -18.274 21.158 57 HB2 HIS 8 HB2 HIS 8 57.633 -19.271 24.035 58 HB3 HIS 8 HB3 HIS 8 56.234 -19.579 23.013 59 HD1 HIS 8 HD1 HIS 8 56.313 -21.911 22.191 60 HD2 HIS 8 HD2 HIS 8 60.116 -20.271 22.399 61 HE1 HIS 8 HE1 HIS 8 57.861 -23.705 21.394 62 HE2 HIS 8 HE2 HIS 8 60.124 -22.611 21.329 63 H SER 9 H SER 9 55.885 -16.763 20.871 64 HA SER 9 HA SER 9 55.615 -14.436 22.433 65 HB2 SER 9 HB2 SER 9 53.674 -15.588 20.386 66 HB3 SER 9 HB3 SER 9 53.675 -13.925 20.981 67 HG SER 9 HG SER 9 56.122 -14.390 20.163 68 H HIS 10 H HIS 10 55.012 -14.603 24.541 69 HA HIS 10 HA HIS 10 53.171 -16.509 25.604 70 HB2 HIS 10 HB2 HIS 10 54.234 -13.920 26.836 71 HB3 HIS 10 HB3 HIS 10 53.347 -15.158 27.719 72 HD1 HIS 10 HD1 HIS 10 54.750 -16.959 28.778 73 HD2 HIS 10 HD2 HIS 10 56.841 -14.903 25.845 74 HE1 HIS 10 HE1 HIS 10 57.092 -17.833 28.885 75 HE2 HIS 10 HE2 HIS 10 58.271 -16.737 26.948 76 H MET 11 H MET 11 52.938 -13.013 25.048 77 HA MET 11 HA MET 11 50.122 -13.324 24.199 78 HB2 MET 11 HB2 MET 11 51.270 -10.979 25.798 79 HB3 MET 11 HB3 MET 11 49.690 -10.967 25.026 80 HG2 MET 11 HG2 MET 11 48.984 -12.848 26.492 81 HG3 MET 11 HG3 MET 11 50.550 -12.784 27.298 82 HE1 MET 11 HE1 MET 11 51.352 -10.728 28.820 83 HE2 MET 11 HE2 MET 11 50.390 -9.272 29.071 84 HE3 MET 11 HE3 MET 11 51.086 -9.603 27.486 85 H GLY 12 H GLY 12 53.070 -11.374 24.188 86 HA2 GLY 12 HA2 GLY 12 53.037 -11.294 21.235 87 HA3 GLY 12 HA3 GLY 12 53.418 -9.842 22.170 88 H ASP 13 H ASP 13 55.426 -10.382 20.635 89 HA ASP 13 HA ASP 13 57.306 -12.343 21.570 90 HB2 ASP 13 HB2 ASP 13 57.695 -9.859 19.835 91 HB3 ASP 13 HB3 ASP 13 58.974 -11.028 20.165 92 H GLY 14 H GLY 14 56.653 -8.976 22.319 93 HA2 GLY 14 HA2 GLY 14 57.133 -8.006 24.458 94 HA3 GLY 14 HA3 GLY 14 58.549 -9.042 24.596 95 H GLU 15 H GLU 15 57.544 -7.129 21.807 96 HA GLU 15 HA GLU 15 59.574 -5.077 22.209 97 HB2 GLU 15 HB2 GLU 15 60.610 -5.530 19.922 98 HB3 GLU 15 HB3 GLU 15 60.964 -6.733 21.148 99 HG2 GLU 15 HG2 GLU 15 60.598 -7.940 19.146 100 HG3 GLU 15 HG3 GLU 15 59.155 -8.183 20.122 101 H GLY 16 H GLY 16 59.508 -3.929 19.669 102 HA2 GLY 16 HA2 GLY 16 56.968 -3.870 18.404 103 HA3 GLY 16 HA3 GLY 16 57.111 -2.505 19.508 104 H ALA 17 H ALA 17 58.365 -4.004 16.583 105 HA ALA 17 HA ALA 17 60.176 -1.963 15.806 106 HB1 ALA 17 HB1 ALA 17 59.944 -2.890 13.521 107 HB2 ALA 17 HB2 ALA 17 58.565 -3.856 14.051 108 HB3 ALA 17 HB3 ALA 17 60.166 -4.166 14.721 109 H GLY 18 H GLY 18 59.476 0.110 15.943 110 HA2 GLY 18 HA2 GLY 18 56.741 0.891 15.470 111 HA3 GLY 18 HA3 GLY 18 58.064 1.932 15.958 112 H VAL 19 H VAL 19 56.979 0.087 13.106 113 HA VAL 19 HA VAL 19 57.810 2.300 11.311 114 HB VAL 19 HB VAL 19 57.771 0.661 9.467 115 HG11 VAL 19 HG11 VAL 19 59.710 -0.736 10.112 116 HG12 VAL 19 HG12 VAL 19 59.415 -0.386 11.816 117 HG13 VAL 19 HG13 VAL 19 59.886 0.912 10.718 118 HG21 VAL 19 HG21 VAL 19 56.995 -1.445 11.546 119 HG22 VAL 19 HG22 VAL 19 57.413 -1.774 9.863 120 HG23 VAL 19 HG23 VAL 19 55.967 -0.840 10.242 121 H LEU 20 H LEU 20 56.313 2.799 9.547 122 HA LEU 20 HA LEU 20 53.489 2.596 10.350 123 HB2 LEU 20 HB2 LEU 20 53.094 4.322 8.600 124 HB3 LEU 20 HB3 LEU 20 54.217 4.810 9.848 125 HG LEU 20 HG LEU 20 56.088 4.177 8.104 126 HD11 LEU 20 HD11 LEU 20 53.775 4.557 6.183 127 HD12 LEU 20 HD12 LEU 20 54.706 3.079 6.426 128 HD13 LEU 20 HD13 LEU 20 55.485 4.502 5.743 129 HD21 LEU 20 HD21 LEU 20 56.054 6.449 7.155 130 HD22 LEU 20 HD22 LEU 20 55.713 6.462 8.883 131 HD23 LEU 20 HD23 LEU 20 54.398 6.671 7.725 132 H GLY 21 H GLY 21 51.949 2.475 8.308 133 HA2 GLY 21 HA2 GLY 21 52.317 -0.170 7.183 134 HA3 GLY 21 HA3 GLY 21 50.915 0.877 7.006 135 H LEU 22 H LEU 22 53.881 -0.166 5.556 136 HA LEU 22 HA LEU 22 54.148 1.780 3.493 137 HB2 LEU 22 HB2 LEU 22 55.659 0.287 2.398 138 HB3 LEU 22 HB3 LEU 22 55.957 0.163 4.118 139 HG LEU 22 HG LEU 22 54.271 -1.898 2.637 140 HD11 LEU 22 HD11 LEU 22 57.269 -2.036 3.095 141 HD12 LEU 22 HD12 LEU 22 56.462 -1.853 1.537 142 HD13 LEU 22 HD13 LEU 22 56.259 -3.339 2.461 143 HD21 LEU 22 HD21 LEU 22 55.769 -2.084 5.276 144 HD22 LEU 22 HD22 LEU 22 54.833 -3.377 4.525 145 HD23 LEU 22 HD23 LEU 22 54.022 -1.917 5.087 146 H SER 23 H SER 23 51.895 -0.782 3.946 147 HA SER 23 HA SER 23 51.055 -1.291 1.286 148 HB2 SER 23 HB2 SER 23 50.524 -2.733 3.263 149 HB3 SER 23 HB3 SER 23 49.439 -1.484 3.867 150 HG SER 23 HG SER 23 48.330 -1.743 1.763 151 H ALA 24 H ALA 24 50.665 1.425 3.340 152 HA ALA 24 HA ALA 24 49.709 3.446 3.222 153 HB1 ALA 24 HB1 ALA 24 50.244 3.484 0.806 154 HB2 ALA 24 HB2 ALA 24 48.715 4.299 1.128 155 HB3 ALA 24 HB3 ALA 24 48.715 2.670 0.451 156 H SER 25 H SER 25 47.330 1.420 1.498 157 HA SER 25 HA SER 25 45.398 1.772 3.709 158 HB2 SER 25 HB2 SER 25 43.635 1.742 1.887 159 HB3 SER 25 HB3 SER 25 44.689 3.151 1.840 160 HG SER 25 HG SER 25 45.426 0.919 0.321 161 H ALA 26 H ALA 26 45.304 -0.162 4.694 162 HA ALA 26 HA ALA 26 45.720 -2.699 3.368 163 HB1 ALA 26 HB1 ALA 26 44.762 -2.121 6.201 164 HB2 ALA 26 HB2 ALA 26 46.436 -2.393 5.712 165 HB3 ALA 26 HB3 ALA 26 45.257 -3.698 5.575 166 H GLU 27 H GLU 27 44.195 -4.113 2.681 167 HA GLU 27 HA GLU 27 41.390 -3.250 2.525 168 HB2 GLU 27 HB2 GLU 27 42.757 -3.901 0.470 169 HB3 GLU 27 HB3 GLU 27 42.800 -5.549 1.076 170 HG2 GLU 27 HG2 GLU 27 41.100 -5.225 -0.699 171 HG3 GLU 27 HG3 GLU 27 40.382 -5.752 0.822 172 H CYS 28 H CYS 28 39.771 -5.177 2.625 173 HA CYS 28 HA CYS 28 38.662 -6.768 3.717 174 HB2 CYS 28 HB2 CYS 28 41.344 -7.697 4.816 175 HB3 CYS 28 HB3 CYS 28 39.835 -8.605 4.895 176 HG CYS 28 HG CYS 28 40.959 -7.657 1.849 177 H HIS 29 H HIS 29 38.259 -7.644 6.110 178 HA HIS 29 HA HIS 29 37.912 -5.221 7.695 179 HB2 HIS 29 HB2 HIS 29 36.210 -7.265 7.241 180 HB3 HIS 29 HB3 HIS 29 36.960 -7.903 8.696 181 HD1 HIS 29 HD1 HIS 29 36.948 -5.997 10.770 182 HD2 HIS 29 HD2 HIS 29 34.086 -5.656 7.779 183 HE1 HIS 29 HE1 HIS 29 35.184 -4.482 11.687 184 HE2 HIS 29 HE2 HIS 29 33.596 -4.113 9.782 185 H LEU 30 H LEU 30 39.292 -4.642 9.266 186 HA LEU 30 HA LEU 30 41.503 -6.441 9.940 187 HB2 LEU 30 HB2 LEU 30 41.165 -3.549 10.807 188 HB3 LEU 30 HB3 LEU 30 42.644 -4.491 10.783 189 HG LEU 30 HG LEU 30 41.135 -3.446 8.348 190 HD11 LEU 30 HD11 LEU 30 43.853 -2.639 9.436 191 HD12 LEU 30 HD12 LEU 30 42.375 -1.681 9.522 192 HD13 LEU 30 HD13 LEU 30 43.105 -2.028 7.957 193 HD21 LEU 30 HD21 LEU 30 42.128 -5.624 7.798 194 HD22 LEU 30 HD22 LEU 30 43.701 -5.074 8.380 195 HD23 LEU 30 HD23 LEU 30 42.970 -4.323 6.959 196 H CYS 31 H CYS 31 42.051 -7.082 12.048 197 HA CYS 31 HA CYS 31 40.210 -7.111 14.208 198 HB2 CYS 31 HB2 CYS 31 42.000 -8.726 14.203 199 HB3 CYS 31 HB3 CYS 31 43.227 -7.481 14.037 200 HA PRO 32 HA PRO 32 40.090 -2.583 14.613 201 HB2 PRO 32 HB2 PRO 32 39.305 -3.331 17.440 202 HB3 PRO 32 HB3 PRO 32 38.599 -2.107 16.369 203 HG2 PRO 32 HG2 PRO 32 37.394 -4.453 16.629 204 HG3 PRO 32 HG3 PRO 32 37.546 -3.733 15.006 205 HD2 PRO 32 HD2 PRO 32 39.082 -6.012 16.229 206 HD3 PRO 32 HD3 PRO 32 38.578 -5.768 14.546 207 H VAL 33 H VAL 33 42.121 -4.420 16.824 208 HA VAL 33 HA VAL 33 43.339 -2.001 17.982 209 HB VAL 33 HB VAL 33 44.054 -4.894 18.620 210 HG11 VAL 33 HG11 VAL 33 45.668 -3.214 19.431 211 HG12 VAL 33 HG12 VAL 33 44.835 -3.984 20.780 212 HG13 VAL 33 HG13 VAL 33 44.379 -2.354 20.273 213 HG21 VAL 33 HG21 VAL 33 41.878 -3.230 19.947 214 HG22 VAL 33 HG22 VAL 33 42.450 -4.805 20.505 215 HG23 VAL 33 HG23 VAL 33 41.633 -4.661 18.948 216 H CYS 34 H CYS 34 44.127 -4.623 15.704 217 HA CYS 34 HA CYS 34 46.689 -3.287 15.035 218 HB2 CYS 34 HB2 CYS 34 47.807 -5.434 14.732 219 HB3 CYS 34 HB3 CYS 34 47.165 -5.353 16.365 220 H GLY 35 H GLY 35 46.899 -2.815 12.908 221 HA2 GLY 35 HA2 GLY 35 45.028 -3.410 10.889 222 HA3 GLY 35 HA3 GLY 35 46.685 -2.868 10.620 223 H GLU 36 H GLU 36 44.575 -5.365 10.077 224 HA GLU 36 HA GLU 36 46.474 -7.466 9.547 225 HB2 GLU 36 HB2 GLU 36 46.458 -7.403 12.044 226 HB3 GLU 36 HB3 GLU 36 44.720 -7.656 12.051 227 HG2 GLU 36 HG2 GLU 36 45.057 -9.895 11.051 228 HG3 GLU 36 HG3 GLU 36 46.804 -9.622 11.066 229 H SER 37 H SER 37 45.487 -8.081 7.706 230 HA SER 37 HA SER 37 42.736 -7.453 7.197 231 HB2 SER 37 HB2 SER 37 43.356 -8.318 4.869 232 HB3 SER 37 HB3 SER 37 44.324 -6.976 5.477 233 HG SER 37 HG SER 37 46.027 -8.196 5.417 234 H PHE 38 H PHE 38 41.097 -8.746 7.707 235 HA PHE 38 HA PHE 38 41.281 -11.673 7.267 236 HB2 PHE 38 HB2 PHE 38 39.696 -10.174 9.401 237 HB3 PHE 38 HB3 PHE 38 39.509 -11.891 9.057 238 HD1 PHE 38 HD2 PHE 38 42.039 -13.088 8.883 239 HD2 PHE 38 HD1 PHE 38 40.914 -9.794 11.379 240 HE1 PHE 38 HE2 PHE 38 43.825 -13.675 10.463 241 HE2 PHE 38 HE1 PHE 38 42.706 -10.386 12.948 242 HZ PHE 38 HZ PHE 38 44.159 -12.330 12.501 243 H ALA 39 H ALA 39 39.778 -12.529 5.951 244 HA ALA 39 HA ALA 39 38.063 -10.922 4.335 245 HB1 ALA 39 HB1 ALA 39 39.129 -12.994 3.513 246 HB2 ALA 39 HB2 ALA 39 37.378 -13.065 3.323 247 HB3 ALA 39 HB3 ALA 39 38.159 -13.950 4.637 248 H SER 40 H SER 40 37.523 -13.021 7.131 249 HA SER 40 HA SER 40 34.636 -12.328 7.149 250 HB2 SER 40 HB2 SER 40 34.996 -14.688 6.479 251 HB3 SER 40 HB3 SER 40 35.891 -14.982 7.969 252 HG SER 40 HG SER 40 34.020 -15.388 8.825 253 H LYS 41 H LYS 41 33.636 -12.635 9.321 254 HA LYS 41 HA LYS 41 34.887 -10.731 11.046 255 HB2 LYS 41 HB2 LYS 41 32.460 -10.739 10.559 256 HB3 LYS 41 HB3 LYS 41 32.286 -12.298 11.355 257 HG2 LYS 41 HG2 LYS 41 32.863 -11.297 13.519 258 HG3 LYS 41 HG3 LYS 41 33.153 -9.737 12.748 259 HD2 LYS 41 HD2 LYS 41 30.960 -9.740 13.840 260 HD3 LYS 41 HD3 LYS 41 30.757 -9.620 12.092 261 HE2 LYS 41 HE2 LYS 41 29.110 -11.165 13.030 262 HE3 LYS 41 HE3 LYS 41 30.239 -12.049 12.006 263 HZ1 LYS 41 HZ1 LYS 41 31.371 -12.861 13.936 264 HZ2 LYS 41 HZ2 LYS 41 29.720 -13.165 14.125 265 HZ3 LYS 41 HZ3 LYS 41 30.440 -11.893 14.963 266 H GLY 42 H GLY 42 34.307 -14.232 11.302 267 HA2 GLY 42 HA2 GLY 42 34.742 -14.574 14.077 268 HA3 GLY 42 HA3 GLY 42 34.891 -15.819 12.847 269 H ALA 43 H ALA 43 37.000 -14.336 11.394 270 HA ALA 43 HA ALA 43 39.322 -15.296 12.804 271 HB1 ALA 43 HB1 ALA 43 39.121 -13.705 10.224 272 HB2 ALA 43 HB2 ALA 43 39.118 -15.467 10.358 273 HB3 ALA 43 HB3 ALA 43 40.552 -14.548 10.817 274 H GLN 44 H GLN 44 37.874 -12.130 12.179 275 HA GLN 44 HA GLN 44 39.842 -10.473 13.370 276 HB2 GLN 44 HB2 GLN 44 38.131 -9.412 12.059 277 HB3 GLN 44 HB3 GLN 44 36.840 -10.200 12.960 278 HG2 GLN 44 HG2 GLN 44 37.578 -8.815 14.984 279 HG3 GLN 44 HG3 GLN 44 38.591 -7.901 13.873 280 HE21 GLN 44 HE21 GLN 44 35.285 -8.707 14.734 281 HE22 GLN 44 HE22 GLN 44 34.543 -7.384 13.906 282 H GLU 45 H GLU 45 36.939 -12.017 14.673 283 HA GLU 45 HA GLU 45 36.943 -10.880 17.230 284 HB2 GLU 45 HB2 GLU 45 35.745 -13.496 16.249 285 HB3 GLU 45 HB3 GLU 45 35.389 -12.779 17.822 286 HG2 GLU 45 HG2 GLU 45 34.393 -10.816 16.738 287 HG3 GLU 45 HG3 GLU 45 34.817 -11.457 15.150 288 H ARG 46 H ARG 46 38.519 -13.811 15.999 289 HA ARG 46 HA ARG 46 39.104 -14.883 18.577 290 HB2 ARG 46 HB2 ARG 46 40.408 -16.568 17.496 291 HB3 ARG 46 HB3 ARG 46 38.978 -16.282 16.520 292 HG2 ARG 46 HG2 ARG 46 40.379 -14.902 14.973 293 HG3 ARG 46 HG3 ARG 46 41.798 -15.359 15.920 294 HD2 ARG 46 HD2 ARG 46 41.691 -16.803 14.007 295 HD3 ARG 46 HD3 ARG 46 41.259 -17.775 15.416 296 HE ARG 46 HE ARG 46 39.424 -16.792 13.321 297 HH11 ARG 46 HH11 ARG 46 39.908 -18.940 16.050 298 HH12 ARG 46 HH12 ARG 46 38.427 -19.802 15.777 299 HH21 ARG 46 HH21 ARG 46 37.502 -17.928 12.996 300 HH22 ARG 46 HH22 ARG 46 37.084 -19.240 14.048 301 H HIS 47 H HIS 47 40.984 -12.763 16.332 302 HA HIS 47 HA HIS 47 43.357 -12.840 17.920 303 HB2 HIS 47 HB2 HIS 47 43.054 -11.855 15.446 304 HB3 HIS 47 HB3 HIS 47 42.813 -10.334 16.304 305 HD2 HIS 47 HD2 HIS 47 45.526 -13.115 15.899 306 HE1 HIS 47 HE1 HIS 47 47.455 -9.711 17.449 307 HE2 HIS 47 HE2 HIS 47 47.771 -11.962 16.366 308 H LEU 48 H LEU 48 40.403 -11.040 18.142 309 HA LEU 48 HA LEU 48 41.271 -9.100 20.059 310 HB2 LEU 48 HB2 LEU 48 38.492 -10.159 19.392 311 HB3 LEU 48 HB3 LEU 48 38.801 -8.789 20.447 312 HG LEU 48 HG LEU 48 39.511 -8.888 17.486 313 HD11 LEU 48 HD11 LEU 48 37.080 -8.828 17.788 314 HD12 LEU 48 HD12 LEU 48 37.664 -7.293 17.152 315 HD13 LEU 48 HD13 LEU 48 37.229 -7.427 18.856 316 HD21 LEU 48 HD21 LEU 48 41.057 -7.436 18.732 317 HD22 LEU 48 HD22 LEU 48 39.698 -6.574 19.455 318 HD23 LEU 48 HD23 LEU 48 39.987 -6.471 17.719 319 H ARG 49 H ARG 49 39.152 -11.990 20.488 320 HA ARG 49 HA ARG 49 39.089 -11.640 23.310 321 HB2 ARG 49 HB2 ARG 49 37.622 -13.588 23.370 322 HB3 ARG 49 HB3 ARG 49 37.169 -12.510 22.066 323 HG2 ARG 49 HG2 ARG 49 36.941 -14.534 20.979 324 HG3 ARG 49 HG3 ARG 49 38.630 -14.198 20.593 325 HD2 ARG 49 HD2 ARG 49 39.345 -15.627 22.476 326 HD3 ARG 49 HD3 ARG 49 37.653 -15.949 22.877 327 HE ARG 49 HE ARG 49 38.218 -16.644 20.175 328 HH11 ARG 49 HH11 ARG 49 38.747 -17.809 23.436 329 HH12 ARG 49 HH12 ARG 49 38.768 -19.478 22.966 330 HH21 ARG 49 HH21 ARG 49 38.243 -18.820 19.567 331 HH22 ARG 49 HH22 ARG 49 38.489 -20.048 20.762 332 H LEU 50 H LEU 50 41.280 -13.418 21.295 333 HA LEU 50 HA LEU 50 42.343 -15.075 23.447 334 HB2 LEU 50 HB2 LEU 50 43.382 -14.533 20.640 335 HB3 LEU 50 HB3 LEU 50 44.139 -15.648 21.765 336 HG LEU 50 HG LEU 50 41.335 -15.966 20.612 337 HD11 LEU 50 HD11 LEU 50 43.884 -17.444 19.881 338 HD12 LEU 50 HD12 LEU 50 43.032 -16.272 18.874 339 HD13 LEU 50 HD13 LEU 50 42.269 -17.808 19.270 340 HD21 LEU 50 HD21 LEU 50 42.937 -17.893 22.330 341 HD22 LEU 50 HD22 LEU 50 41.374 -18.229 21.583 342 HD23 LEU 50 HD23 LEU 50 41.502 -16.996 22.835 343 H LEU 51 H LEU 51 43.709 -12.416 21.430 344 HA LEU 51 HA LEU 51 45.890 -12.053 23.410 345 HB2 LEU 51 HB2 LEU 51 45.775 -11.360 20.450 346 HB3 LEU 51 HB3 LEU 51 47.142 -11.024 21.501 347 HG LEU 51 HG LEU 51 46.120 -13.802 20.779 348 HD11 LEU 51 HD11 LEU 51 48.224 -14.046 19.520 349 HD12 LEU 51 HD12 LEU 51 48.643 -12.371 19.879 350 HD13 LEU 51 HD13 LEU 51 47.235 -12.735 18.878 351 HD21 LEU 51 HD21 LEU 51 48.133 -14.652 21.956 352 HD22 LEU 51 HD22 LEU 51 47.045 -13.809 23.052 353 HD23 LEU 51 HD23 LEU 51 48.514 -13.012 22.488 354 H HIS 52 H HIS 52 43.785 -10.180 21.250 355 HA HIS 52 HA HIS 52 44.598 -7.648 22.469 356 HB2 HIS 52 HB2 HIS 52 43.419 -8.453 19.800 357 HB3 HIS 52 HB3 HIS 52 43.041 -6.833 20.384 358 HD2 HIS 52 HD2 HIS 52 46.232 -6.841 21.793 359 HE1 HIS 52 HE1 HIS 52 47.118 -5.958 17.806 360 HE2 HIS 52 HE2 HIS 52 47.953 -5.918 20.141 361 H ALA 53 H ALA 53 43.119 -9.285 24.093 362 HA ALA 53 HA ALA 53 40.344 -8.530 24.225 363 HB1 ALA 53 HB1 ALA 53 40.294 -9.965 26.223 364 HB2 ALA 53 HB2 ALA 53 42.054 -10.098 26.184 365 HB3 ALA 53 HB3 ALA 53 41.089 -10.787 24.878 366 H ALA 54 H ALA 54 43.175 -7.005 25.093 367 HA ALA 54 HA ALA 54 42.579 -5.645 27.476 368 HB1 ALA 54 HB1 ALA 54 44.305 -4.045 26.730 369 HB2 ALA 54 HB2 ALA 54 44.248 -4.728 25.103 370 HB3 ALA 54 HB3 ALA 54 44.820 -5.709 26.453 371 H GLN 55 H GLN 55 41.608 -5.065 24.131 372 HA GLN 55 HA GLN 55 40.360 -2.469 24.817 373 HB2 GLN 55 HB2 GLN 55 41.060 -3.611 22.084 374 HB3 GLN 55 HB3 GLN 55 40.378 -2.015 22.378 375 HG2 GLN 55 HG2 GLN 55 43.107 -2.977 23.295 376 HG3 GLN 55 HG3 GLN 55 42.796 -1.905 21.935 377 HE21 GLN 55 HE21 GLN 55 42.943 -2.147 25.412 378 HE22 GLN 55 HE22 GLN 55 42.873 -0.453 25.735 379 H VAL 56 H VAL 56 39.440 -5.664 24.513 380 HA VAL 56 HA VAL 56 36.660 -4.882 23.809 381 HB VAL 56 HB VAL 56 36.275 -7.060 22.736 382 HG11 VAL 56 HG11 VAL 56 36.931 -5.199 21.290 383 HG12 VAL 56 HG12 VAL 56 37.534 -6.725 20.646 384 HG13 VAL 56 HG13 VAL 56 38.635 -5.628 21.481 385 HG21 VAL 56 HG21 VAL 56 39.235 -7.644 23.058 386 HG22 VAL 56 HG22 VAL 56 38.068 -8.642 22.188 387 HG23 VAL 56 HG23 VAL 56 37.931 -8.449 23.936 388 H PHE 57 H PHE 57 35.065 -5.810 25.007 389 HA PHE 57 HA PHE 57 35.737 -7.500 27.341 390 HB2 PHE 57 HB2 PHE 57 33.995 -4.987 27.465 391 HB3 PHE 57 HB3 PHE 57 34.373 -6.063 28.805 392 HD1 PHE 57 HD1 PHE 57 36.895 -6.269 29.481 393 HD2 PHE 57 HD2 PHE 57 35.360 -3.086 27.065 394 HE1 PHE 57 HE1 PHE 57 38.862 -4.898 30.029 395 HE2 PHE 57 HE2 PHE 57 37.326 -1.719 27.627 396 HZ PHE 57 HZ PHE 57 39.079 -2.622 29.107 397 HA PRO 58 HA PRO 58 31.940 -9.140 25.206 398 HB2 PRO 58 HB2 PRO 58 32.590 -11.773 25.202 399 HB3 PRO 58 HB3 PRO 58 33.272 -10.640 24.024 400 HG2 PRO 58 HG2 PRO 58 34.509 -11.715 26.554 401 HG3 PRO 58 HG3 PRO 58 35.239 -11.523 24.945 402 HD2 PRO 58 HD2 PRO 58 35.594 -9.715 27.006 403 HD3 PRO 58 HD3 PRO 58 35.691 -9.273 25.287 404 H CYS 59 H CYS 59 30.122 -9.323 26.395 405 HA CYS 59 HA CYS 59 29.951 -10.148 29.124 406 HB2 CYS 59 HB2 CYS 59 28.155 -8.794 28.376 407 HB3 CYS 59 HB3 CYS 59 27.923 -9.734 26.915 408 H LYS 60 H LYS 60 30.438 -12.151 29.784 409 HA LYS 60 HA LYS 60 31.579 -13.904 27.959 410 HB2 LYS 60 HB2 LYS 60 30.913 -14.428 30.881 411 HB3 LYS 60 HB3 LYS 60 32.100 -15.318 29.929 412 HG2 LYS 60 HG2 LYS 60 33.473 -13.297 29.689 413 HG3 LYS 60 HG3 LYS 60 32.264 -12.348 30.559 414 HD2 LYS 60 HD2 LYS 60 32.665 -13.746 32.591 415 HD3 LYS 60 HD3 LYS 60 33.905 -14.642 31.707 416 HE2 LYS 60 HE2 LYS 60 35.208 -12.545 31.434 417 HE3 LYS 60 HE3 LYS 60 33.976 -11.669 32.345 418 HZ1 LYS 60 HZ1 LYS 60 35.555 -13.944 33.403 419 HZ2 LYS 60 HZ2 LYS 60 34.480 -12.973 34.272 420 HZ3 LYS 60 HZ3 LYS 60 35.919 -12.319 33.677 421 H TYR 61 H TYR 61 28.384 -14.079 29.336 422 HA TYR 61 HA TYR 61 28.041 -16.930 28.942 423 HB2 TYR 61 HB2 TYR 61 25.910 -14.886 29.682 424 HB3 TYR 61 HB3 TYR 61 25.892 -16.621 30.004 425 HD1 TYR 61 HD1 TYR 61 28.064 -17.470 31.409 426 HD2 TYR 61 HD2 TYR 61 26.512 -13.482 31.522 427 HE1 TYR 61 HE1 TYR 61 29.196 -17.080 33.555 428 HE2 TYR 61 HE2 TYR 61 27.634 -13.109 33.675 429 HH TYR 61 HH TYR 61 30.018 -15.187 34.889 430 H CYS 62 H CYS 62 27.825 -14.266 26.905 431 HA CYS 62 HA CYS 62 26.583 -15.919 24.812 432 HB2 CYS 62 HB2 CYS 62 25.477 -13.929 23.853 433 HB3 CYS 62 HB3 CYS 62 24.895 -14.241 25.484 434 HA PRO 63 HA PRO 63 30.095 -14.135 22.382 435 HB2 PRO 63 HB2 PRO 63 29.220 -14.666 19.845 436 HB3 PRO 63 HB3 PRO 63 29.903 -15.916 20.892 437 HG2 PRO 63 HG2 PRO 63 27.001 -15.292 20.347 438 HG3 PRO 63 HG3 PRO 63 27.814 -16.873 20.388 439 HD2 PRO 63 HD2 PRO 63 26.368 -15.920 22.500 440 HD3 PRO 63 HD3 PRO 63 27.790 -16.962 22.724 441 H ALA 64 H ALA 64 29.221 -12.106 23.367 442 HA ALA 64 HA ALA 64 28.379 -10.201 21.288 443 HB1 ALA 64 HB1 ALA 64 26.805 -9.062 22.816 444 HB2 ALA 64 HB2 ALA 64 27.097 -10.288 24.051 445 HB3 ALA 64 HB3 ALA 64 26.302 -10.733 22.543 446 H THR 65 H THR 65 30.207 -9.082 21.154 447 HA THR 65 HA THR 65 31.911 -8.618 23.489 448 HB THR 65 HB THR 65 32.518 -8.237 20.523 449 HG1 THR 65 HG1 THR 65 32.523 -10.368 20.605 450 HG21 THR 65 HG21 THR 65 34.344 -8.365 22.956 451 HG22 THR 65 HG22 THR 65 34.024 -6.932 21.973 452 HG23 THR 65 HG23 THR 65 34.884 -8.304 21.277 453 H PHE 66 H PHE 66 32.251 -6.629 24.327 454 HA PHE 66 HA PHE 66 31.151 -4.229 22.964 455 HB2 PHE 66 HB2 PHE 66 31.127 -4.831 25.969 456 HB3 PHE 66 HB3 PHE 66 30.551 -3.339 25.216 457 HD1 PHE 66 HD1 PHE 66 28.528 -3.398 23.728 458 HD2 PHE 66 HD2 PHE 66 29.740 -6.814 26.011 459 HE1 PHE 66 HE1 PHE 66 26.317 -4.408 23.392 460 HE2 PHE 66 HE2 PHE 66 27.524 -7.809 25.674 461 HZ PHE 66 HZ PHE 66 25.812 -6.612 24.363 462 H TYR 67 H TYR 67 32.544 -2.539 22.771 463 HA TYR 67 HA TYR 67 35.328 -2.885 23.611 464 HB2 TYR 67 HB2 TYR 67 33.964 -0.756 21.893 465 HB3 TYR 67 HB3 TYR 67 35.701 -0.836 22.179 466 HD1 TYR 67 HD1 TYR 67 32.840 -2.819 20.749 467 HD2 TYR 67 HD2 TYR 67 37.066 -2.169 20.728 468 HE1 TYR 67 HE1 TYR 67 33.062 -4.346 18.843 469 HE2 TYR 67 HE2 TYR 67 37.289 -3.694 18.812 470 HH TYR 67 HH TYR 67 34.626 -4.780 16.986 471 H SER 68 H SER 68 33.017 -2.137 25.503 472 HA SER 68 HA SER 68 34.556 -0.288 27.119 473 HB2 SER 68 HB2 SER 68 32.503 1.144 27.553 474 HB3 SER 68 HB3 SER 68 33.109 1.276 25.900 475 HG SER 68 HG SER 68 31.427 0.072 25.169 476 H SER 69 H SER 69 34.200 -0.644 29.314 477 HA SER 69 HA SER 69 33.093 -3.109 30.148 478 HB2 SER 69 HB2 SER 69 33.633 -2.263 32.482 479 HB3 SER 69 HB3 SER 69 34.991 -2.273 31.359 480 HG SER 69 HG SER 69 35.080 -0.165 31.446 481 HA PRO 70 HA PRO 70 29.233 -0.262 31.751 482 HB2 PRO 70 HB2 PRO 70 29.203 1.264 29.127 483 HB3 PRO 70 HB3 PRO 70 28.535 1.727 30.704 484 HG2 PRO 70 HG2 PRO 70 30.849 2.769 29.919 485 HG3 PRO 70 HG3 PRO 70 30.667 2.212 31.600 486 HD2 PRO 70 HD2 PRO 70 32.085 0.873 29.301 487 HD3 PRO 70 HD3 PRO 70 32.548 0.965 31.011 488 H GLY 71 H GLY 71 29.832 -0.856 28.240 489 HA2 GLY 71 HA2 GLY 71 27.314 -2.003 27.622 490 HA3 GLY 71 HA3 GLY 71 28.793 -2.204 26.692 491 H LEU 72 H LEU 72 30.375 -3.452 28.608 492 HA LEU 72 HA LEU 72 29.858 -6.170 28.435 493 HB2 LEU 72 HB2 LEU 72 32.072 -5.371 28.916 494 HB3 LEU 72 HB3 LEU 72 31.532 -4.516 30.343 495 HG LEU 72 HG LEU 72 31.125 -6.735 31.473 496 HD11 LEU 72 HD11 LEU 72 30.830 -8.143 29.498 497 HD12 LEU 72 HD12 LEU 72 32.095 -8.773 30.547 498 HD13 LEU 72 HD13 LEU 72 32.529 -7.916 29.067 499 HD21 LEU 72 HD21 LEU 72 33.176 -5.471 31.908 500 HD22 LEU 72 HD22 LEU 72 33.971 -6.251 30.539 501 HD23 LEU 72 HD23 LEU 72 33.489 -7.204 31.945 502 H THR 73 H THR 73 29.411 -4.050 31.297 503 HA THR 73 HA THR 73 28.258 -6.136 32.895 504 HB THR 73 HB THR 73 29.603 -4.272 33.889 505 HG1 THR 73 HG1 THR 73 27.161 -5.192 34.807 506 HG21 THR 73 HG21 THR 73 28.547 -2.076 34.342 507 HG22 THR 73 HG22 THR 73 27.142 -2.544 33.385 508 HG23 THR 73 HG23 THR 73 28.712 -2.350 32.606 509 H ARG 74 H ARG 74 26.923 -3.680 30.743 510 HA ARG 74 HA ARG 74 24.276 -3.670 31.836 511 HB2 ARG 74 HB2 ARG 74 25.425 -2.752 29.187 512 HB3 ARG 74 HB3 ARG 74 23.679 -2.791 29.423 513 HG2 ARG 74 HG2 ARG 74 23.889 -1.256 31.345 514 HG3 ARG 74 HG3 ARG 74 25.641 -1.224 31.133 515 HD2 ARG 74 HD2 ARG 74 25.365 -0.181 28.924 516 HD3 ARG 74 HD3 ARG 74 23.608 -0.252 29.095 517 HE ARG 74 HE ARG 74 24.322 1.154 31.280 518 HH11 ARG 74 HH11 ARG 74 25.199 1.564 27.907 519 HH12 ARG 74 HH12 ARG 74 25.349 3.287 28.024 520 HH21 ARG 74 HH21 ARG 74 24.499 3.431 31.406 521 HH22 ARG 74 HH22 ARG 74 24.962 4.339 29.999 522 H HIS 75 H HIS 75 25.858 -5.659 29.339 523 HA HIS 75 HA HIS 75 23.392 -6.998 28.628 524 HB2 HIS 75 HB2 HIS 75 25.759 -6.810 27.280 525 HB3 HIS 75 HB3 HIS 75 25.958 -8.407 27.982 526 HD2 HIS 75 HD2 HIS 75 23.789 -6.524 25.391 527 HE1 HIS 75 HE1 HIS 75 22.734 -10.593 25.132 528 HE2 HIS 75 HE2 HIS 75 22.491 -8.319 24.080 529 H ILE 76 H ILE 76 25.712 -7.384 31.163 530 HA ILE 76 HA ILE 76 24.849 -10.060 31.883 531 HB ILE 76 HB ILE 76 26.440 -8.003 33.496 532 HG12 ILE 76 HG12 ILE 76 27.436 -10.434 31.909 533 HG13 ILE 76 HG13 ILE 76 27.592 -8.761 31.392 534 HG21 ILE 76 HG21 ILE 76 27.087 -9.912 34.964 535 HG22 ILE 76 HG22 ILE 76 26.009 -10.974 34.055 536 HG23 ILE 76 HG23 ILE 76 25.346 -9.635 34.992 537 HD11 ILE 76 HD11 ILE 76 29.672 -9.603 32.270 538 HD12 ILE 76 HD12 ILE 76 28.904 -9.997 33.807 539 HD13 ILE 76 HD13 ILE 76 29.057 -8.311 33.300 540 H ASN 77 H ASN 77 24.558 -6.904 33.557 541 HA ASN 77 HA ASN 77 22.736 -7.574 35.503 542 HB2 ASN 77 HB2 ASN 77 23.144 -4.886 34.132 543 HB3 ASN 77 HB3 ASN 77 22.217 -5.096 35.614 544 HD21 ASN 77 HD21 ASN 77 23.664 -3.659 36.656 545 HD22 ASN 77 HD22 ASN 77 25.228 -4.172 37.174 546 H LYS 78 H LYS 78 22.013 -6.572 32.182 547 HA LYS 78 HA LYS 78 19.109 -6.606 32.653 548 HB2 LYS 78 HB2 LYS 78 20.179 -4.796 31.289 549 HB3 LYS 78 HB3 LYS 78 20.652 -6.004 30.097 550 HG2 LYS 78 HG2 LYS 78 18.271 -6.501 29.649 551 HG3 LYS 78 HG3 LYS 78 17.792 -5.308 30.861 552 HD2 LYS 78 HD2 LYS 78 18.923 -3.528 29.512 553 HD3 LYS 78 HD3 LYS 78 19.305 -4.736 28.279 554 HE2 LYS 78 HE2 LYS 78 17.333 -3.461 27.621 555 HE3 LYS 78 HE3 LYS 78 16.873 -5.133 27.954 556 HZ1 LYS 78 HZ1 LYS 78 16.542 -2.850 29.827 557 HZ2 LYS 78 HZ2 LYS 78 16.076 -4.444 30.128 558 HZ3 LYS 78 HZ3 LYS 78 15.308 -3.554 28.914 559 H CYS 79 H CYS 79 21.449 -8.261 30.436 560 HA CYS 79 HA CYS 79 19.218 -9.931 29.445 561 HB2 CYS 79 HB2 CYS 79 21.901 -9.310 28.150 562 HB3 CYS 79 HB3 CYS 79 20.558 -10.180 27.400 563 HG CYS 79 HG CYS 79 19.141 -8.121 26.702 564 H HIS 80 H HIS 80 22.162 -10.263 31.252 565 HA HIS 80 HA HIS 80 21.931 -13.196 31.234 566 HB2 HIS 80 HB2 HIS 80 24.363 -11.654 30.256 567 HB3 HIS 80 HB3 HIS 80 24.625 -13.185 31.095 568 HD2 HIS 80 HD2 HIS 80 22.903 -15.285 29.962 569 HE1 HIS 80 HE1 HIS 80 23.116 -13.627 26.107 570 HE2 HIS 80 HE2 HIS 80 22.288 -15.560 27.487 571 HA PRO 81 HA PRO 81 23.063 -11.569 35.511 572 HB2 PRO 81 HB2 PRO 81 20.786 -10.684 36.584 573 HB3 PRO 81 HB3 PRO 81 21.580 -9.742 35.314 574 HG2 PRO 81 HG2 PRO 81 19.125 -11.449 35.145 575 HG3 PRO 81 HG3 PRO 81 19.526 -9.969 34.253 576 HD2 PRO 81 HD2 PRO 81 19.883 -12.704 33.387 577 HD3 PRO 81 HD3 PRO 81 20.326 -11.220 32.512 578 H SER 82 H SER 82 21.228 -14.130 34.387 579 HA SER 82 HA SER 82 20.253 -15.155 36.951 580 HB2 SER 82 HB2 SER 82 20.068 -16.360 34.154 581 HB3 SER 82 HB3 SER 82 19.171 -16.885 35.580 582 HG SER 82 HG SER 82 18.520 -14.461 35.501 583 H GLU 83 H GLU 83 23.079 -14.855 36.610 584 HA GLU 83 HA GLU 83 24.134 -17.599 36.760 585 HB2 GLU 83 HB2 GLU 83 25.433 -15.041 35.687 586 HB3 GLU 83 HB3 GLU 83 26.333 -16.521 36.002 587 HG2 GLU 83 HG2 GLU 83 24.015 -16.336 34.056 588 HG3 GLU 83 HG3 GLU 83 25.709 -16.177 33.598 589 H ASN 84 H ASN 84 25.805 -17.909 38.319 590 HA ASN 84 HA ASN 84 26.849 -17.772 40.311 591 HB2 ASN 84 HB2 ASN 84 26.579 -14.744 39.987 592 HB3 ASN 84 HB3 ASN 84 27.624 -15.540 41.155 593 HD21 ASN 84 HD21 ASN 84 27.172 -14.712 37.800 594 HD22 ASN 84 HD22 ASN 84 28.748 -15.171 37.264 595 H ARG 85 H ARG 85 23.914 -17.906 40.122 596 HA ARG 85 HA ARG 85 23.251 -17.326 42.923 597 HB2 ARG 85 HB2 ARG 85 20.925 -16.555 42.155 598 HB3 ARG 85 HB3 ARG 85 22.247 -15.420 41.938 599 HG2 ARG 85 HG2 ARG 85 22.319 -15.850 39.550 600 HG3 ARG 85 HG3 ARG 85 21.158 -17.168 39.700 601 HD2 ARG 85 HD2 ARG 85 20.569 -14.252 40.315 602 HD3 ARG 85 HD3 ARG 85 20.146 -15.076 38.810 603 HE ARG 85 HE ARG 85 18.999 -16.654 40.685 604 HH11 ARG 85 HH11 ARG 85 18.787 -13.190 40.113 605 HH12 ARG 85 HH12 ARG 85 17.157 -13.075 40.683 606 HH21 ARG 85 HH21 ARG 85 16.862 -16.481 41.423 607 HH22 ARG 85 HH22 ARG 85 16.060 -14.945 41.423 Start of MODEL 18 1 H1 MET 1 H1 MET 1 50.302 21.344 28.873 2 H2 MET 1 H2 MET 1 51.314 21.880 30.108 3 H3 MET 1 H3 MET 1 51.627 20.406 29.341 4 HA MET 1 HA MET 1 51.706 23.071 28.079 5 HB2 MET 1 HB2 MET 1 53.991 21.194 28.823 6 HB3 MET 1 HB3 MET 1 54.167 22.718 27.963 7 HG2 MET 1 HG2 MET 1 53.244 23.885 29.989 8 HG3 MET 1 HG3 MET 1 53.297 22.338 30.837 9 HE1 MET 1 HE1 MET 1 55.639 20.930 31.075 10 HE2 MET 1 HE2 MET 1 57.214 21.628 30.702 11 HE3 MET 1 HE3 MET 1 56.114 21.194 29.393 12 H GLY 2 H GLY 2 51.311 22.949 25.951 13 HA2 GLY 2 HA2 GLY 2 51.394 22.233 23.754 14 HA3 GLY 2 HA3 GLY 2 52.323 20.828 24.253 15 H HIS 3 H HIS 3 49.361 21.451 25.924 16 HA HIS 3 HA HIS 3 47.940 19.373 24.368 17 HB2 HIS 3 HB2 HIS 3 47.993 19.595 27.411 18 HB3 HIS 3 HB3 HIS 3 46.991 18.477 26.491 19 HD1 HIS 3 HD1 HIS 3 48.309 16.613 25.114 20 HD2 HIS 3 HD2 HIS 3 50.542 18.659 27.955 21 HE1 HIS 3 HE1 HIS 3 50.376 15.250 25.450 22 HE2 HIS 3 HE2 HIS 3 51.624 16.410 27.298 23 H HIS 4 H HIS 4 46.490 20.550 23.350 24 HA HIS 4 HA HIS 4 44.273 21.691 24.877 25 HB2 HIS 4 HB2 HIS 4 45.829 23.208 22.736 26 HB3 HIS 4 HB3 HIS 4 44.134 23.568 23.039 27 HD1 HIS 4 HD1 HIS 4 47.468 24.491 24.118 28 HD2 HIS 4 HD2 HIS 4 43.694 24.430 25.851 29 HE1 HIS 4 HE1 HIS 4 47.606 26.017 26.096 30 HE2 HIS 4 HE2 HIS 4 45.370 25.829 27.222 31 H HIS 5 H HIS 5 44.234 19.217 23.966 32 HA HIS 5 HA HIS 5 43.484 18.936 21.208 33 HB2 HIS 5 HB2 HIS 5 42.945 16.537 21.833 34 HB3 HIS 5 HB3 HIS 5 44.589 17.048 22.165 35 HD1 HIS 5 HD1 HIS 5 45.406 16.862 24.567 36 HD2 HIS 5 HD2 HIS 5 41.342 16.074 24.214 37 HE1 HIS 5 HE1 HIS 5 44.717 15.877 26.761 38 HE2 HIS 5 HE2 HIS 5 42.307 15.236 26.450 39 H HIS 6 H HIS 6 41.777 20.178 20.740 40 HA HIS 6 HA HIS 6 39.108 19.330 21.720 41 HB2 HIS 6 HB2 HIS 6 39.959 22.196 21.029 42 HB3 HIS 6 HB3 HIS 6 38.314 21.695 21.414 43 HD1 HIS 6 HD1 HIS 6 37.772 21.270 23.919 44 HD2 HIS 6 HD2 HIS 6 41.693 22.444 23.240 45 HE1 HIS 6 HE1 HIS 6 38.705 21.819 26.174 46 HE2 HIS 6 HE2 HIS 6 41.105 22.434 25.744 47 H HIS 7 H HIS 7 39.743 17.855 19.901 48 HA HIS 7 HA HIS 7 39.898 18.877 17.195 49 HB2 HIS 7 HB2 HIS 7 41.234 16.902 18.059 50 HB3 HIS 7 HB3 HIS 7 39.734 15.983 18.150 51 HD1 HIS 7 HD1 HIS 7 38.878 14.954 15.962 52 HD2 HIS 7 HD2 HIS 7 42.109 17.497 15.378 53 HE1 HIS 7 HE1 HIS 7 39.606 14.577 13.596 54 HE2 HIS 7 HE2 HIS 7 41.652 16.009 13.317 55 H HIS 8 H HIS 8 38.364 18.485 15.516 56 HA HIS 8 HA HIS 8 35.602 18.463 16.319 57 HB2 HIS 8 HB2 HIS 8 36.986 18.633 13.618 58 HB3 HIS 8 HB3 HIS 8 35.234 18.520 13.747 59 HD1 HIS 8 HD1 HIS 8 34.799 20.867 12.817 60 HD2 HIS 8 HD2 HIS 8 37.275 20.886 16.157 61 HE1 HIS 8 HE1 HIS 8 34.982 23.266 13.516 62 HE2 HIS 8 HE2 HIS 8 36.542 23.265 15.492 63 H SER 9 H SER 9 35.361 16.455 17.318 64 HA SER 9 HA SER 9 34.566 14.373 17.533 65 HB2 SER 9 HB2 SER 9 34.066 14.556 14.534 66 HB3 SER 9 HB3 SER 9 33.400 13.305 15.587 67 HG SER 9 HG SER 9 32.518 15.815 15.151 68 H HIS 10 H HIS 10 34.780 12.013 16.621 69 HA HIS 10 HA HIS 10 37.305 11.434 15.277 70 HB2 HIS 10 HB2 HIS 10 37.938 11.275 17.645 71 HB3 HIS 10 HB3 HIS 10 36.550 10.250 17.992 72 HD1 HIS 10 HD1 HIS 10 39.406 10.056 15.471 73 HD2 HIS 10 HD2 HIS 10 37.407 7.671 18.222 74 HE1 HIS 10 HE1 HIS 10 40.424 7.782 15.255 75 HE2 HIS 10 HE2 HIS 10 39.154 6.340 16.869 76 H MET 11 H MET 11 36.062 10.890 13.517 77 HA MET 11 HA MET 11 34.196 8.574 13.740 78 HB2 MET 11 HB2 MET 11 33.995 11.051 11.974 79 HB3 MET 11 HB3 MET 11 32.957 9.640 11.806 80 HG2 MET 11 HG2 MET 11 33.106 11.401 14.268 81 HG3 MET 11 HG3 MET 11 31.856 11.480 13.020 82 HE1 MET 11 HE1 MET 11 31.224 11.066 16.192 83 HE2 MET 11 HE2 MET 11 29.934 9.872 16.053 84 HE3 MET 11 HE3 MET 11 30.001 11.228 14.927 85 H GLY 12 H GLY 12 37.160 8.894 13.028 86 HA2 GLY 12 HA2 GLY 12 38.214 7.127 11.658 87 HA3 GLY 12 HA3 GLY 12 37.133 7.591 10.345 88 H ASP 13 H ASP 13 40.022 8.359 12.101 89 HA ASP 13 HA ASP 13 40.941 10.277 10.140 90 HB2 ASP 13 HB2 ASP 13 41.310 12.113 11.926 91 HB3 ASP 13 HB3 ASP 13 39.667 11.896 11.333 92 H GLY 14 H GLY 14 41.485 8.923 13.430 93 HA2 GLY 14 HA2 GLY 14 43.433 7.265 13.357 94 HA3 GLY 14 HA3 GLY 14 44.384 8.629 12.803 95 H GLU 15 H GLU 15 42.114 9.707 15.079 96 HA GLU 15 HA GLU 15 44.055 10.217 17.085 97 HB2 GLU 15 HB2 GLU 15 41.765 11.443 16.583 98 HB3 GLU 15 HB3 GLU 15 41.060 10.238 17.642 99 HG2 GLU 15 HG2 GLU 15 43.203 12.251 18.413 100 HG3 GLU 15 HG3 GLU 15 41.492 12.372 18.803 101 H GLY 16 H GLY 16 44.801 8.882 18.639 102 HA2 GLY 16 HA2 GLY 16 44.748 7.234 20.313 103 HA3 GLY 16 HA3 GLY 16 43.242 6.600 19.665 104 H ALA 17 H ALA 17 44.494 6.643 16.895 105 HA ALA 17 HA ALA 17 45.728 3.994 16.959 106 HB1 ALA 17 HB1 ALA 17 43.948 4.493 15.317 107 HB2 ALA 17 HB2 ALA 17 45.464 4.105 14.502 108 HB3 ALA 17 HB3 ALA 17 44.937 5.784 14.634 109 H GLY 18 H GLY 18 47.479 3.994 14.894 110 HA2 GLY 18 HA2 GLY 18 49.700 5.777 15.741 111 HA3 GLY 18 HA3 GLY 18 49.874 4.189 15.011 112 H VAL 19 H VAL 19 51.001 4.636 13.198 113 HA VAL 19 HA VAL 19 50.173 6.768 11.347 114 HB VAL 19 HB VAL 19 52.277 6.302 10.133 115 HG11 VAL 19 HG11 VAL 19 52.363 7.915 11.992 116 HG12 VAL 19 HG12 VAL 19 53.894 7.050 11.869 117 HG13 VAL 19 HG13 VAL 19 52.738 6.621 13.132 118 HG21 VAL 19 HG21 VAL 19 52.474 3.866 10.484 119 HG22 VAL 19 HG22 VAL 19 52.784 4.110 12.203 120 HG23 VAL 19 HG23 VAL 19 53.956 4.668 11.007 121 H LEU 20 H LEU 20 50.238 6.169 8.985 122 HA LEU 20 HA LEU 20 49.162 3.486 8.406 123 HB2 LEU 20 HB2 LEU 20 47.371 4.594 6.971 124 HB3 LEU 20 HB3 LEU 20 47.175 4.722 8.705 125 HG LEU 20 HG LEU 20 48.109 7.106 8.535 126 HD11 LEU 20 HD11 LEU 20 47.607 6.734 5.567 127 HD12 LEU 20 HD12 LEU 20 49.165 7.031 6.341 128 HD13 LEU 20 HD13 LEU 20 47.918 8.275 6.374 129 HD21 LEU 20 HD21 LEU 20 45.729 6.656 8.894 130 HD22 LEU 20 HD22 LEU 20 45.470 6.525 7.152 131 HD23 LEU 20 HD23 LEU 20 45.949 8.069 7.863 132 H GLY 21 H GLY 21 48.853 3.229 5.963 133 HA2 GLY 21 HA2 GLY 21 50.654 4.681 4.222 134 HA3 GLY 21 HA3 GLY 21 51.214 3.064 4.639 135 H LEU 22 H LEU 22 50.963 3.273 2.129 136 HA LEU 22 HA LEU 22 48.349 2.757 1.036 137 HB2 LEU 22 HB2 LEU 22 51.123 2.452 -0.198 138 HB3 LEU 22 HB3 LEU 22 49.630 2.186 -1.075 139 HG LEU 22 HG LEU 22 50.471 4.338 -1.712 140 HD11 LEU 22 HD11 LEU 22 48.153 4.785 0.189 141 HD12 LEU 22 HD12 LEU 22 48.046 4.216 -1.479 142 HD13 LEU 22 HD13 LEU 22 48.636 5.840 -1.145 143 HD21 LEU 22 HD21 LEU 22 50.962 6.176 -0.166 144 HD22 LEU 22 HD22 LEU 22 51.979 4.779 0.174 145 HD23 LEU 22 HD23 LEU 22 50.601 5.135 1.216 146 H SER 23 H SER 23 47.610 0.993 2.274 147 HA SER 23 HA SER 23 48.549 -1.660 1.494 148 HB2 SER 23 HB2 SER 23 50.003 -1.070 3.449 149 HB3 SER 23 HB3 SER 23 48.564 -0.812 4.433 150 HG SER 23 HG SER 23 49.861 -3.068 4.038 151 H ALA 24 H ALA 24 46.650 -2.373 0.765 152 HA ALA 24 HA ALA 24 44.577 -3.053 2.668 153 HB1 ALA 24 HB1 ALA 24 42.700 -2.126 1.343 154 HB2 ALA 24 HB2 ALA 24 43.846 -1.347 0.250 155 HB3 ALA 24 HB3 ALA 24 43.757 -0.840 1.937 156 H SER 25 H SER 25 45.251 -5.163 2.248 157 HA SER 25 HA SER 25 45.683 -6.221 -0.375 158 HB2 SER 25 HB2 SER 25 45.855 -8.421 0.883 159 HB3 SER 25 HB3 SER 25 46.922 -7.152 1.486 160 HG SER 25 HG SER 25 45.902 -8.142 3.217 161 H ALA 26 H ALA 26 43.290 -7.261 2.071 162 HA ALA 26 HA ALA 26 41.312 -7.833 -0.065 163 HB1 ALA 26 HB1 ALA 26 40.381 -9.538 1.455 164 HB2 ALA 26 HB2 ALA 26 41.611 -9.156 2.662 165 HB3 ALA 26 HB3 ALA 26 42.084 -9.861 1.116 166 H GLU 27 H GLU 27 41.431 -7.195 3.444 167 HA GLU 27 HA GLU 27 40.279 -5.934 4.893 168 HB2 GLU 27 HB2 GLU 27 41.377 -4.152 3.392 169 HB3 GLU 27 HB3 GLU 27 39.823 -3.964 2.600 170 HG2 GLU 27 HG2 GLU 27 40.314 -3.490 5.559 171 HG3 GLU 27 HG3 GLU 27 40.370 -2.226 4.342 172 H CYS 28 H CYS 28 38.572 -7.310 5.304 173 HA CYS 28 HA CYS 28 35.974 -6.687 4.030 174 HB2 CYS 28 HB2 CYS 28 36.908 -9.490 4.774 175 HB3 CYS 28 HB3 CYS 28 35.369 -9.063 4.028 176 HG CYS 28 HG CYS 28 37.371 -7.818 1.955 177 H HIS 29 H HIS 29 37.637 -8.227 6.745 178 HA HIS 29 HA HIS 29 35.823 -6.953 8.684 179 HB2 HIS 29 HB2 HIS 29 36.537 -9.924 8.582 180 HB3 HIS 29 HB3 HIS 29 35.954 -9.148 10.051 181 HD1 HIS 29 HD1 HIS 29 34.732 -10.994 7.223 182 HD2 HIS 29 HD2 HIS 29 33.264 -7.868 9.540 183 HE1 HIS 29 HE1 HIS 29 32.250 -10.972 6.855 184 HE2 HIS 29 HE2 HIS 29 31.439 -8.926 8.064 185 H LEU 30 H LEU 30 37.099 -5.770 9.981 186 HA LEU 30 HA LEU 30 39.972 -6.447 10.261 187 HB2 LEU 30 HB2 LEU 30 38.629 -3.757 10.760 188 HB3 LEU 30 HB3 LEU 30 40.355 -4.084 10.711 189 HG LEU 30 HG LEU 30 38.426 -4.077 8.360 190 HD11 LEU 30 HD11 LEU 30 39.822 -2.250 7.498 191 HD12 LEU 30 HD12 LEU 30 40.833 -2.326 8.942 192 HD13 LEU 30 HD13 LEU 30 39.141 -1.842 9.073 193 HD21 LEU 30 HD21 LEU 30 41.357 -4.882 8.332 194 HD22 LEU 30 HD22 LEU 30 40.354 -4.618 6.906 195 HD23 LEU 30 HD23 LEU 30 39.976 -5.937 8.009 196 H CYS 31 H CYS 31 40.822 -6.785 12.263 197 HA CYS 31 HA CYS 31 39.319 -7.047 14.656 198 HB2 CYS 31 HB2 CYS 31 41.498 -8.170 14.334 199 HB3 CYS 31 HB3 CYS 31 42.308 -6.608 14.219 200 HA PRO 32 HA PRO 32 38.420 -2.562 14.771 201 HB2 PRO 32 HB2 PRO 32 37.684 -3.293 17.623 202 HB3 PRO 32 HB3 PRO 32 36.808 -2.280 16.463 203 HG2 PRO 32 HG2 PRO 32 36.005 -4.771 16.839 204 HG3 PRO 32 HG3 PRO 32 36.109 -4.140 15.179 205 HD2 PRO 32 HD2 PRO 32 37.997 -5.991 16.624 206 HD3 PRO 32 HD3 PRO 32 37.458 -6.028 14.933 207 H VAL 33 H VAL 33 40.499 -4.034 17.210 208 HA VAL 33 HA VAL 33 41.271 -1.481 18.385 209 HB VAL 33 HB VAL 33 42.398 -4.221 19.111 210 HG11 VAL 33 HG11 VAL 33 42.153 -1.650 20.727 211 HG12 VAL 33 HG12 VAL 33 43.636 -2.304 20.032 212 HG13 VAL 33 HG13 VAL 33 42.813 -3.178 21.319 213 HG21 VAL 33 HG21 VAL 33 39.938 -4.382 19.240 214 HG22 VAL 33 HG22 VAL 33 39.871 -2.928 20.236 215 HG23 VAL 33 HG23 VAL 33 40.634 -4.390 20.863 216 H CYS 34 H CYS 34 42.488 -3.505 15.846 217 HA CYS 34 HA CYS 34 44.862 -1.799 15.565 218 HB2 CYS 34 HB2 CYS 34 46.426 -3.640 15.277 219 HB3 CYS 34 HB3 CYS 34 45.628 -3.832 16.831 220 H GLY 35 H GLY 35 45.285 -1.288 13.484 221 HA2 GLY 35 HA2 GLY 35 43.628 -2.050 11.300 222 HA3 GLY 35 HA3 GLY 35 45.150 -1.171 11.195 223 H GLU 36 H GLU 36 43.626 -4.000 10.429 224 HA GLU 36 HA GLU 36 45.959 -5.471 9.624 225 HB2 GLU 36 HB2 GLU 36 45.937 -5.953 12.092 226 HB3 GLU 36 HB3 GLU 36 44.295 -6.567 11.956 227 HG2 GLU 36 HG2 GLU 36 45.812 -8.429 12.086 228 HG3 GLU 36 HG3 GLU 36 45.120 -8.379 10.467 229 H SER 37 H SER 37 45.208 -6.055 7.665 230 HA SER 37 HA SER 37 42.401 -6.188 7.075 231 HB2 SER 37 HB2 SER 37 44.817 -6.769 5.312 232 HB3 SER 37 HB3 SER 37 43.151 -6.613 4.742 233 HG SER 37 HG SER 37 44.952 -4.686 5.318 234 H PHE 38 H PHE 38 41.230 -7.906 7.633 235 HA PHE 38 HA PHE 38 42.206 -10.625 6.950 236 HB2 PHE 38 HB2 PHE 38 39.926 -9.933 8.856 237 HB3 PHE 38 HB3 PHE 38 40.548 -11.536 8.513 238 HD1 PHE 38 HD2 PHE 38 43.038 -11.999 9.168 239 HD2 PHE 38 HD1 PHE 38 40.753 -8.729 10.711 240 HE1 PHE 38 HE2 PHE 38 44.527 -11.875 11.123 241 HE2 PHE 38 HE1 PHE 38 42.250 -8.611 12.648 242 HZ PHE 38 HZ PHE 38 44.130 -10.182 12.869 243 H ALA 39 H ALA 39 40.999 -11.814 5.537 244 HA ALA 39 HA ALA 39 38.808 -10.624 4.040 245 HB1 ALA 39 HB1 ALA 39 38.907 -12.712 2.715 246 HB2 ALA 39 HB2 ALA 39 40.044 -13.407 3.872 247 HB3 ALA 39 HB3 ALA 39 40.515 -12.010 2.905 248 H SER 40 H SER 40 39.268 -13.044 6.562 249 HA SER 40 HA SER 40 36.438 -13.861 6.530 250 HB2 SER 40 HB2 SER 40 38.119 -15.661 6.521 251 HB3 SER 40 HB3 SER 40 38.830 -15.038 8.010 252 HG SER 40 HG SER 40 36.892 -16.777 7.780 253 H LYS 41 H LYS 41 35.114 -13.739 8.332 254 HA LYS 41 HA LYS 41 35.604 -11.757 10.346 255 HB2 LYS 41 HB2 LYS 41 33.323 -12.195 9.560 256 HB3 LYS 41 HB3 LYS 41 33.415 -13.866 10.108 257 HG2 LYS 41 HG2 LYS 41 33.482 -13.147 12.445 258 HG3 LYS 41 HG3 LYS 41 33.540 -11.452 11.956 259 HD2 LYS 41 HD2 LYS 41 31.275 -11.621 11.010 260 HD3 LYS 41 HD3 LYS 41 31.220 -13.342 11.388 261 HE2 LYS 41 HE2 LYS 41 31.533 -11.215 13.528 262 HE3 LYS 41 HE3 LYS 41 29.961 -11.789 12.976 263 HZ1 LYS 41 HZ1 LYS 41 30.489 -13.979 13.697 264 HZ2 LYS 41 HZ2 LYS 41 30.792 -12.916 14.980 265 HZ3 LYS 41 HZ3 LYS 41 32.071 -13.546 14.081 266 H GLY 42 H GLY 42 35.895 -15.282 10.163 267 HA2 GLY 42 HA2 GLY 42 36.259 -15.919 12.890 268 HA3 GLY 42 HA3 GLY 42 36.898 -16.829 11.529 269 H ALA 43 H ALA 43 38.542 -14.893 10.403 270 HA ALA 43 HA ALA 43 40.919 -15.050 11.976 271 HB1 ALA 43 HB1 ALA 43 40.387 -13.495 9.422 272 HB2 ALA 43 HB2 ALA 43 40.945 -15.167 9.518 273 HB3 ALA 43 HB3 ALA 43 41.970 -13.856 10.103 274 H GLN 44 H GLN 44 38.556 -12.498 11.331 275 HA GLN 44 HA GLN 44 39.814 -10.283 12.551 276 HB2 GLN 44 HB2 GLN 44 37.847 -9.976 11.175 277 HB3 GLN 44 HB3 GLN 44 36.891 -11.050 12.187 278 HG2 GLN 44 HG2 GLN 44 37.133 -9.320 14.049 279 HG3 GLN 44 HG3 GLN 44 37.830 -8.244 12.841 280 HE21 GLN 44 HE21 GLN 44 36.155 -6.735 12.977 281 HE22 GLN 44 HE22 GLN 44 34.552 -7.049 12.419 282 H GLU 45 H GLU 45 37.623 -12.731 13.866 283 HA GLU 45 HA GLU 45 37.311 -11.560 16.437 284 HB2 GLU 45 HB2 GLU 45 36.663 -14.347 15.422 285 HB3 GLU 45 HB3 GLU 45 36.146 -13.709 16.985 286 HG2 GLU 45 HG2 GLU 45 34.801 -11.996 15.891 287 HG3 GLU 45 HG3 GLU 45 35.403 -12.485 14.309 288 H ARG 46 H ARG 46 39.442 -14.088 15.136 289 HA ARG 46 HA ARG 46 40.249 -15.129 17.670 290 HB2 ARG 46 HB2 ARG 46 41.941 -16.409 16.507 291 HB3 ARG 46 HB3 ARG 46 40.442 -16.454 15.586 292 HG2 ARG 46 HG2 ARG 46 41.359 -14.708 14.065 293 HG3 ARG 46 HG3 ARG 46 42.885 -14.773 14.951 294 HD2 ARG 46 HD2 ARG 46 42.947 -16.113 12.872 295 HD3 ARG 46 HD3 ARG 46 43.183 -17.118 14.312 296 HE ARG 46 HE ARG 46 40.425 -16.955 13.476 297 HH11 ARG 46 HH11 ARG 46 43.427 -18.684 12.894 298 HH12 ARG 46 HH12 ARG 46 42.621 -20.116 12.337 299 HH21 ARG 46 HH21 ARG 46 39.400 -18.833 12.786 300 HH22 ARG 46 HH22 ARG 46 40.344 -20.198 12.284 301 H HIS 47 H HIS 47 41.393 -12.384 15.769 302 HA HIS 47 HA HIS 47 43.815 -12.020 17.263 303 HB2 HIS 47 HB2 HIS 47 42.900 -10.771 14.992 304 HB3 HIS 47 HB3 HIS 47 42.515 -9.524 16.172 305 HD2 HIS 47 HD2 HIS 47 45.570 -11.406 14.689 306 HE1 HIS 47 HE1 HIS 47 47.086 -8.175 16.915 307 HE2 HIS 47 HE2 HIS 47 47.610 -9.935 15.199 308 H LEU 48 H LEU 48 40.494 -10.894 17.576 309 HA LEU 48 HA LEU 48 40.810 -9.289 19.916 310 HB2 LEU 48 HB2 LEU 48 38.354 -10.684 18.795 311 HB3 LEU 48 HB3 LEU 48 38.319 -9.473 20.066 312 HG LEU 48 HG LEU 48 39.233 -8.965 17.209 313 HD11 LEU 48 HD11 LEU 48 37.132 -7.712 16.941 314 HD12 LEU 48 HD12 LEU 48 36.627 -8.202 18.557 315 HD13 LEU 48 HD13 LEU 48 36.828 -9.414 17.290 316 HD21 LEU 48 HD21 LEU 48 38.811 -6.995 19.494 317 HD22 LEU 48 HD22 LEU 48 39.206 -6.572 17.831 318 HD23 LEU 48 HD23 LEU 48 40.368 -7.464 18.803 319 H ARG 49 H ARG 49 40.303 -12.705 19.368 320 HA ARG 49 HA ARG 49 39.364 -13.318 22.037 321 HB2 ARG 49 HB2 ARG 49 38.561 -14.459 19.921 322 HB3 ARG 49 HB3 ARG 49 40.135 -15.210 19.773 323 HG2 ARG 49 HG2 ARG 49 38.467 -15.666 22.254 324 HG3 ARG 49 HG3 ARG 49 38.119 -16.562 20.777 325 HD2 ARG 49 HD2 ARG 49 40.450 -17.410 20.772 326 HD3 ARG 49 HD3 ARG 49 40.747 -16.551 22.284 327 HE ARG 49 HE ARG 49 38.780 -17.984 23.132 328 HH11 ARG 49 HH11 ARG 49 41.146 -19.125 20.826 329 HH12 ARG 49 HH12 ARG 49 41.026 -20.773 21.343 330 HH21 ARG 49 HH21 ARG 49 38.638 -20.143 23.806 331 HH22 ARG 49 HH22 ARG 49 39.607 -21.351 23.029 332 H LEU 50 H LEU 50 42.366 -13.586 20.197 333 HA LEU 50 HA LEU 50 43.741 -14.960 22.423 334 HB2 LEU 50 HB2 LEU 50 44.689 -14.496 19.565 335 HB3 LEU 50 HB3 LEU 50 45.518 -15.455 20.780 336 HG LEU 50 HG LEU 50 42.799 -16.141 19.587 337 HD11 LEU 50 HD11 LEU 50 45.497 -17.392 18.995 338 HD12 LEU 50 HD12 LEU 50 44.595 -16.330 17.912 339 HD13 LEU 50 HD13 LEU 50 43.940 -17.910 18.340 340 HD21 LEU 50 HD21 LEU 50 43.039 -17.034 21.878 341 HD22 LEU 50 HD22 LEU 50 44.567 -17.798 21.431 342 HD23 LEU 50 HD23 LEU 50 43.060 -18.334 20.685 343 H LEU 51 H LEU 51 44.611 -12.433 20.012 344 HA LEU 51 HA LEU 51 46.871 -11.689 21.701 345 HB2 LEU 51 HB2 LEU 51 46.196 -10.710 18.904 346 HB3 LEU 51 HB3 LEU 51 47.743 -10.571 19.731 347 HG LEU 51 HG LEU 51 46.458 -13.124 18.686 348 HD11 LEU 51 HD11 LEU 51 48.405 -13.268 17.219 349 HD12 LEU 51 HD12 LEU 51 49.032 -11.757 17.876 350 HD13 LEU 51 HD13 LEU 51 47.527 -11.762 16.959 351 HD21 LEU 51 HD21 LEU 51 48.468 -14.343 19.473 352 HD22 LEU 51 HD22 LEU 51 47.531 -13.688 20.811 353 HD23 LEU 51 HD23 LEU 51 49.023 -12.888 20.307 354 H HIS 52 H HIS 52 43.762 -10.504 21.199 355 HA HIS 52 HA HIS 52 44.396 -7.869 22.328 356 HB2 HIS 52 HB2 HIS 52 43.284 -8.365 19.612 357 HB3 HIS 52 HB3 HIS 52 42.223 -7.325 20.561 358 HD2 HIS 52 HD2 HIS 52 44.720 -5.776 22.120 359 HE1 HIS 52 HE1 HIS 52 45.618 -4.408 18.261 360 HE2 HIS 52 HE2 HIS 52 46.148 -4.201 20.695 361 H ALA 53 H ALA 53 43.518 -10.247 23.554 362 HA ALA 53 HA ALA 53 40.682 -10.241 24.010 363 HB1 ALA 53 HB1 ALA 53 42.848 -11.742 25.515 364 HB2 ALA 53 HB2 ALA 53 41.988 -12.322 24.090 365 HB3 ALA 53 HB3 ALA 53 41.114 -12.048 25.597 366 H ALA 54 H ALA 54 43.414 -8.732 25.582 367 HA ALA 54 HA ALA 54 42.211 -8.111 28.091 368 HB1 ALA 54 HB1 ALA 54 44.432 -6.646 26.622 369 HB2 ALA 54 HB2 ALA 54 44.652 -8.016 27.712 370 HB3 ALA 54 HB3 ALA 54 44.041 -6.482 28.336 371 H GLN 55 H GLN 55 42.088 -6.647 24.920 372 HA GLN 55 HA GLN 55 41.018 -4.093 25.786 373 HB2 GLN 55 HB2 GLN 55 41.392 -5.256 22.996 374 HB3 GLN 55 HB3 GLN 55 40.971 -3.581 23.349 375 HG2 GLN 55 HG2 GLN 55 43.551 -4.954 24.163 376 HG3 GLN 55 HG3 GLN 55 43.361 -3.861 22.796 377 HE21 GLN 55 HE21 GLN 55 43.034 -1.642 23.200 378 HE22 GLN 55 HE22 GLN 55 43.412 -0.925 24.724 379 H VAL 56 H VAL 56 39.741 -7.148 24.649 380 HA VAL 56 HA VAL 56 37.072 -5.995 24.208 381 HB VAL 56 HB VAL 56 36.402 -8.141 23.307 382 HG11 VAL 56 HG11 VAL 56 39.108 -7.320 22.199 383 HG12 VAL 56 HG12 VAL 56 37.549 -6.603 21.783 384 HG13 VAL 56 HG13 VAL 56 37.895 -8.276 21.343 385 HG21 VAL 56 HG21 VAL 56 39.142 -9.219 24.079 386 HG22 VAL 56 HG22 VAL 56 37.945 -10.083 23.114 387 HG23 VAL 56 HG23 VAL 56 37.600 -9.689 24.799 388 H PHE 57 H PHE 57 35.233 -6.914 25.226 389 HA PHE 57 HA PHE 57 35.629 -8.037 27.924 390 HB2 PHE 57 HB2 PHE 57 33.919 -5.586 27.275 391 HB3 PHE 57 HB3 PHE 57 34.044 -6.361 28.849 392 HD1 PHE 57 HD2 PHE 57 36.323 -6.366 30.032 393 HD2 PHE 57 HD1 PHE 57 35.487 -3.891 26.639 394 HE1 PHE 57 HE2 PHE 57 38.243 -4.936 30.593 395 HE2 PHE 57 HE1 PHE 57 37.416 -2.476 27.208 396 HZ PHE 57 HZ PHE 57 38.791 -2.993 29.186 397 HA PRO 58 HA PRO 58 32.053 -10.253 25.907 398 HB2 PRO 58 HB2 PRO 58 32.809 -12.800 26.536 399 HB3 PRO 58 HB3 PRO 58 33.391 -11.959 25.088 400 HG2 PRO 58 HG2 PRO 58 34.775 -12.392 27.726 401 HG3 PRO 58 HG3 PRO 58 35.444 -12.455 26.080 402 HD2 PRO 58 HD2 PRO 58 35.706 -10.284 27.784 403 HD3 PRO 58 HD3 PRO 58 35.794 -10.167 26.015 404 H CYS 59 H CYS 59 30.267 -10.150 27.107 405 HA CYS 59 HA CYS 59 30.087 -9.951 29.893 406 HB2 CYS 59 HB2 CYS 59 28.347 -9.020 28.530 407 HB3 CYS 59 HB3 CYS 59 28.042 -10.561 27.743 408 H LYS 60 H LYS 60 30.669 -11.480 31.252 409 HA LYS 60 HA LYS 60 31.885 -13.689 31.084 410 HB2 LYS 60 HB2 LYS 60 29.653 -13.490 33.136 411 HB3 LYS 60 HB3 LYS 60 31.069 -14.532 33.268 412 HG2 LYS 60 HG2 LYS 60 32.530 -12.559 33.366 413 HG3 LYS 60 HG3 LYS 60 31.122 -11.511 33.187 414 HD2 LYS 60 HD2 LYS 60 30.212 -12.503 35.340 415 HD3 LYS 60 HD3 LYS 60 31.755 -13.337 35.535 416 HE2 LYS 60 HE2 LYS 60 31.756 -11.311 36.870 417 HE3 LYS 60 HE3 LYS 60 32.903 -11.122 35.540 418 HZ1 LYS 60 HZ1 LYS 60 31.593 -9.143 35.816 419 HZ2 LYS 60 HZ2 LYS 60 30.156 -10.012 35.665 420 HZ3 LYS 60 HZ3 LYS 60 31.196 -9.868 34.346 421 H TYR 61 H TYR 61 28.351 -14.085 31.311 422 HA TYR 61 HA TYR 61 28.631 -16.974 31.345 423 HB2 TYR 61 HB2 TYR 61 25.972 -15.527 31.451 424 HB3 TYR 61 HB3 TYR 61 26.442 -17.028 32.234 425 HD1 TYR 61 HD1 TYR 61 28.081 -16.892 34.213 426 HD2 TYR 61 HD2 TYR 61 26.139 -13.427 32.631 427 HE1 TYR 61 HE1 TYR 61 28.559 -15.664 36.277 428 HE2 TYR 61 HE2 TYR 61 26.622 -12.204 34.706 429 HH TYR 61 HH TYR 61 27.027 -12.926 37.177 430 H CYS 62 H CYS 62 28.013 -14.629 28.947 431 HA CYS 62 HA CYS 62 26.771 -16.596 27.121 432 HB2 CYS 62 HB2 CYS 62 25.173 -14.992 26.334 433 HB3 CYS 62 HB3 CYS 62 25.081 -14.899 28.088 434 HA PRO 63 HA PRO 63 29.992 -14.972 24.321 435 HB2 PRO 63 HB2 PRO 63 29.087 -15.954 21.928 436 HB3 PRO 63 HB3 PRO 63 29.851 -16.978 23.152 437 HG2 PRO 63 HG2 PRO 63 26.916 -16.582 22.577 438 HG3 PRO 63 HG3 PRO 63 27.796 -18.094 22.893 439 HD2 PRO 63 HD2 PRO 63 26.331 -16.808 24.814 440 HD3 PRO 63 HD3 PRO 63 27.776 -17.765 25.204 441 H ALA 64 H ALA 64 29.257 -12.813 24.862 442 HA ALA 64 HA ALA 64 28.235 -11.328 22.553 443 HB1 ALA 64 HB1 ALA 64 26.712 -9.959 23.960 444 HB2 ALA 64 HB2 ALA 64 27.080 -10.975 25.355 445 HB3 ALA 64 HB3 ALA 64 26.230 -11.657 23.970 446 H THR 65 H THR 65 30.126 -10.311 22.157 447 HA THR 65 HA THR 65 31.860 -9.424 24.347 448 HB THR 65 HB THR 65 32.403 -9.571 21.345 449 HG1 THR 65 HG1 THR 65 32.852 -11.603 21.756 450 HG21 THR 65 HG21 THR 65 33.892 -7.923 22.451 451 HG22 THR 65 HG22 THR 65 34.802 -9.370 22.015 452 HG23 THR 65 HG23 THR 65 34.305 -9.113 23.689 453 H PHE 66 H PHE 66 32.343 -7.364 24.770 454 HA PHE 66 HA PHE 66 31.213 -5.133 23.183 455 HB2 PHE 66 HB2 PHE 66 31.417 -5.350 26.234 456 HB3 PHE 66 HB3 PHE 66 30.871 -3.923 25.351 457 HD1 PHE 66 HD2 PHE 66 28.704 -3.976 24.093 458 HD2 PHE 66 HD1 PHE 66 29.913 -7.233 26.600 459 HE1 PHE 66 HE2 PHE 66 26.400 -4.838 24.097 460 HE2 PHE 66 HE1 PHE 66 27.610 -8.089 26.583 461 HZ PHE 66 HZ PHE 66 25.852 -6.894 25.338 462 H TYR 67 H TYR 67 32.593 -3.328 22.961 463 HA TYR 67 HA TYR 67 35.440 -3.776 23.627 464 HB2 TYR 67 HB2 TYR 67 34.206 -1.695 21.766 465 HB3 TYR 67 HB3 TYR 67 35.925 -2.061 21.927 466 HD1 TYR 67 HD2 TYR 67 36.593 -4.608 21.441 467 HD2 TYR 67 HD1 TYR 67 32.994 -2.768 20.033 468 HE1 TYR 67 HE2 TYR 67 36.380 -6.337 19.706 469 HE2 TYR 67 HE1 TYR 67 32.786 -4.502 18.313 470 HH TYR 67 HH TYR 67 34.166 -6.081 17.112 471 H SER 68 H SER 68 33.021 -2.511 25.299 472 HA SER 68 HA SER 68 34.686 -0.406 26.541 473 HB2 SER 68 HB2 SER 68 31.662 -0.273 26.150 474 HB3 SER 68 HB3 SER 68 32.658 0.941 26.953 475 HG SER 68 HG SER 68 33.787 1.132 24.893 476 H SER 69 H SER 69 34.692 -0.372 28.735 477 HA SER 69 HA SER 69 34.234 -2.783 30.118 478 HB2 SER 69 HB2 SER 69 34.880 -0.059 31.306 479 HB3 SER 69 HB3 SER 69 35.145 -1.634 32.066 480 HG SER 69 HG SER 69 36.897 -1.863 30.957 481 HA PRO 70 HA PRO 70 30.347 -0.535 32.208 482 HB2 PRO 70 HB2 PRO 70 29.523 1.404 30.068 483 HB3 PRO 70 HB3 PRO 70 29.504 1.599 31.827 484 HG2 PRO 70 HG2 PRO 70 31.347 2.868 30.340 485 HG3 PRO 70 HG3 PRO 70 31.776 2.176 31.921 486 HD2 PRO 70 HD2 PRO 70 32.273 1.028 29.162 487 HD3 PRO 70 HD3 PRO 70 33.379 1.144 30.547 488 H GLY 71 H GLY 71 30.513 -0.618 28.648 489 HA2 GLY 71 HA2 GLY 71 28.027 -1.630 27.931 490 HA3 GLY 71 HA3 GLY 71 29.507 -1.879 27.030 491 H LEU 72 H LEU 72 30.879 -3.341 29.002 492 HA LEU 72 HA LEU 72 30.263 -6.002 28.661 493 HB2 LEU 72 HB2 LEU 72 32.411 -5.165 29.488 494 HB3 LEU 72 HB3 LEU 72 31.651 -4.577 30.956 495 HG LEU 72 HG LEU 72 31.223 -6.907 31.689 496 HD11 LEU 72 HD11 LEU 72 30.949 -7.974 29.523 497 HD12 LEU 72 HD12 LEU 72 32.185 -8.800 30.467 498 HD13 LEU 72 HD13 LEU 72 32.662 -7.723 29.159 499 HD21 LEU 72 HD21 LEU 72 33.317 -5.823 32.387 500 HD22 LEU 72 HD22 LEU 72 34.128 -6.415 30.933 501 HD23 LEU 72 HD23 LEU 72 33.552 -7.553 32.156 502 H THR 73 H THR 73 29.459 -3.952 31.465 503 HA THR 73 HA THR 73 27.931 -6.005 32.812 504 HB THR 73 HB THR 73 28.050 -3.050 33.568 505 HG1 THR 73 HG1 THR 73 29.961 -3.423 34.549 506 HG21 THR 73 HG21 THR 73 27.747 -5.578 35.245 507 HG22 THR 73 HG22 THR 73 26.463 -4.430 34.874 508 HG23 THR 73 HG23 THR 73 27.818 -3.922 35.878 509 H ARG 74 H ARG 74 27.231 -3.401 30.572 510 HA ARG 74 HA ARG 74 24.575 -2.785 31.219 511 HB2 ARG 74 HB2 ARG 74 25.926 -2.736 28.495 512 HB3 ARG 74 HB3 ARG 74 24.300 -2.118 28.774 513 HG2 ARG 74 HG2 ARG 74 25.252 -0.469 30.397 514 HG3 ARG 74 HG3 ARG 74 26.864 -1.067 30.001 515 HD2 ARG 74 HD2 ARG 74 26.362 -0.468 27.572 516 HD3 ARG 74 HD3 ARG 74 24.930 0.383 28.162 517 HE ARG 74 HE ARG 74 27.693 1.193 28.370 518 HH11 ARG 74 HH11 ARG 74 24.502 1.683 29.771 519 HH12 ARG 74 HH12 ARG 74 24.896 3.243 30.414 520 HH21 ARG 74 HH21 ARG 74 28.184 3.242 29.190 521 HH22 ARG 74 HH22 ARG 74 26.996 4.121 30.094 522 H HIS 75 H HIS 75 25.876 -5.572 29.448 523 HA HIS 75 HA HIS 75 23.358 -6.502 28.478 524 HB2 HIS 75 HB2 HIS 75 25.771 -7.350 27.809 525 HB3 HIS 75 HB3 HIS 75 25.581 -8.473 29.152 526 HD2 HIS 75 HD2 HIS 75 23.660 -7.501 25.859 527 HE1 HIS 75 HE1 HIS 75 22.612 -11.462 26.825 528 HE2 HIS 75 HE2 HIS 75 22.469 -9.642 25.093 529 H ILE 76 H ILE 76 25.202 -7.079 31.431 530 HA ILE 76 HA ILE 76 23.531 -9.082 32.579 531 HB ILE 76 HB ILE 76 25.489 -7.221 34.001 532 HG12 ILE 76 HG12 ILE 76 26.051 -9.966 32.757 533 HG13 ILE 76 HG13 ILE 76 26.537 -8.428 32.055 534 HG21 ILE 76 HG21 ILE 76 25.694 -9.024 35.697 535 HG22 ILE 76 HG22 ILE 76 24.476 -9.977 34.848 536 HG23 ILE 76 HG23 ILE 76 24.035 -8.439 35.590 537 HD11 ILE 76 HD11 ILE 76 27.506 -9.540 34.684 538 HD12 ILE 76 HD12 ILE 76 28.013 -8.016 33.945 539 HD13 ILE 76 HD13 ILE 76 28.377 -9.547 33.153 540 H ASN 77 H ASN 77 23.402 -5.607 32.517 541 HA ASN 77 HA ASN 77 21.386 -5.341 34.597 542 HB2 ASN 77 HB2 ASN 77 22.450 -3.333 32.553 543 HB3 ASN 77 HB3 ASN 77 21.366 -2.938 33.883 544 HD21 ASN 77 HD21 ASN 77 22.444 -4.241 36.008 545 HD22 ASN 77 HD22 ASN 77 24.033 -3.647 36.339 546 H LYS 78 H LYS 78 21.522 -5.415 31.041 547 HA LYS 78 HA LYS 78 18.740 -4.516 30.772 548 HB2 LYS 78 HB2 LYS 78 20.499 -3.413 29.452 549 HB3 LYS 78 HB3 LYS 78 20.929 -4.947 28.708 550 HG2 LYS 78 HG2 LYS 78 18.694 -5.030 27.626 551 HG3 LYS 78 HG3 LYS 78 18.300 -3.470 28.355 552 HD2 LYS 78 HD2 LYS 78 20.233 -2.452 27.140 553 HD3 LYS 78 HD3 LYS 78 20.534 -4.007 26.361 554 HE2 LYS 78 HE2 LYS 78 18.337 -3.896 25.265 555 HE3 LYS 78 HE3 LYS 78 17.987 -2.370 26.081 556 HZ1 LYS 78 HZ1 LYS 78 18.721 -1.920 23.876 557 HZ2 LYS 78 HZ2 LYS 78 20.109 -2.870 24.067 558 HZ3 LYS 78 HZ3 LYS 78 19.948 -1.427 24.936 559 H CYS 79 H CYS 79 20.718 -7.122 29.274 560 HA CYS 79 HA CYS 79 18.253 -8.688 28.728 561 HB2 CYS 79 HB2 CYS 79 20.693 -8.314 26.951 562 HB3 CYS 79 HB3 CYS 79 19.330 -9.371 26.586 563 HG CYS 79 HG CYS 79 17.672 -6.840 26.996 564 H HIS 80 H HIS 80 20.324 -8.805 30.898 565 HA HIS 80 HA HIS 80 20.399 -11.707 31.047 566 HB2 HIS 80 HB2 HIS 80 22.637 -10.580 29.960 567 HB3 HIS 80 HB3 HIS 80 23.023 -10.309 31.650 568 HD2 HIS 80 HD2 HIS 80 21.855 -13.400 32.541 569 HE1 HIS 80 HE1 HIS 80 25.119 -14.557 30.126 570 HE2 HIS 80 HE2 HIS 80 23.369 -15.343 31.770 571 HA PRO 81 HA PRO 81 20.060 -8.594 34.688 572 HB2 PRO 81 HB2 PRO 81 17.491 -7.934 34.927 573 HB3 PRO 81 HB3 PRO 81 18.409 -7.400 33.511 574 HG2 PRO 81 HG2 PRO 81 16.465 -9.695 33.746 575 HG3 PRO 81 HG3 PRO 81 16.616 -8.485 32.453 576 HD2 PRO 81 HD2 PRO 81 17.758 -11.057 32.408 577 HD3 PRO 81 HD3 PRO 81 18.254 -9.704 31.372 578 H SER 82 H SER 82 18.781 -11.760 34.527 579 HA SER 82 HA SER 82 17.359 -11.911 36.974 580 HB2 SER 82 HB2 SER 82 17.683 -14.441 36.674 581 HB3 SER 82 HB3 SER 82 16.905 -13.581 35.336 582 HG SER 82 HG SER 82 18.737 -13.753 34.145 583 H GLU 83 H GLU 83 20.371 -13.715 36.365 584 HA GLU 83 HA GLU 83 21.971 -14.471 37.776 585 HB2 GLU 83 HB2 GLU 83 22.432 -11.473 37.656 586 HB3 GLU 83 HB3 GLU 83 23.647 -12.620 38.211 587 HG2 GLU 83 HG2 GLU 83 22.420 -12.475 35.445 588 HG3 GLU 83 HG3 GLU 83 24.071 -12.040 35.890 589 H ASN 84 H ASN 84 21.415 -11.410 39.506 590 HA ASN 84 HA ASN 84 21.471 -10.805 41.652 591 HB2 ASN 84 HB2 ASN 84 19.264 -11.987 41.702 592 HB3 ASN 84 HB3 ASN 84 20.078 -13.465 42.193 593 HD21 ASN 84 HD21 ASN 84 19.188 -10.230 43.202 594 HD22 ASN 84 HD22 ASN 84 19.408 -10.486 44.897 595 H ARG 85 H ARG 85 23.765 -11.066 41.233 596 HA ARG 85 HA ARG 85 25.050 -12.996 43.097 597 HB2 ARG 85 HB2 ARG 85 25.306 -13.703 40.687 598 HB3 ARG 85 HB3 ARG 85 26.080 -12.162 40.327 599 HG2 ARG 85 HG2 ARG 85 27.914 -12.726 41.896 600 HG3 ARG 85 HG3 ARG 85 27.148 -14.282 42.224 601 HD2 ARG 85 HD2 ARG 85 28.175 -13.354 39.516 602 HD3 ARG 85 HD3 ARG 85 28.992 -14.496 40.589 603 HE ARG 85 HE ARG 85 26.313 -15.310 39.892 604 HH11 ARG 85 HH11 ARG 85 29.671 -15.422 38.859 605 HH12 ARG 85 HH12 ARG 85 29.424 -16.785 37.819 606 HH21 ARG 85 HH21 ARG 85 26.027 -17.103 38.519 607 HH22 ARG 85 HH22 ARG 85 27.374 -17.735 37.626 Start of MODEL 19 1 H1 MET 1 H1 MET 1 65.089 -32.220 67.110 2 H2 MET 1 H2 MET 1 64.197 -31.480 68.340 3 H3 MET 1 H3 MET 1 65.874 -31.287 68.287 4 HA MET 1 HA MET 1 63.964 -30.313 66.255 5 HB2 MET 1 HB2 MET 1 65.503 -28.819 68.430 6 HB3 MET 1 HB3 MET 1 64.676 -28.015 67.105 7 HG2 MET 1 HG2 MET 1 63.027 -29.848 68.788 8 HG3 MET 1 HG3 MET 1 63.555 -28.346 69.531 9 HE1 MET 1 HE1 MET 1 60.706 -28.565 65.867 10 HE2 MET 1 HE2 MET 1 61.189 -29.978 66.806 11 HE3 MET 1 HE3 MET 1 62.358 -29.171 65.759 12 H GLY 2 H GLY 2 64.897 -30.091 64.311 13 HA2 GLY 2 HA2 GLY 2 67.694 -29.229 64.046 14 HA3 GLY 2 HA3 GLY 2 67.244 -30.769 63.316 15 H HIS 3 H HIS 3 67.846 -27.756 62.434 16 HA HIS 3 HA HIS 3 65.746 -27.656 60.338 17 HB2 HIS 3 HB2 HIS 3 65.305 -25.922 62.056 18 HB3 HIS 3 HB3 HIS 3 66.931 -25.283 61.849 19 HD1 HIS 3 HD1 HIS 3 66.918 -23.214 60.469 20 HD2 HIS 3 HD2 HIS 3 63.931 -25.854 59.284 21 HE1 HIS 3 HE1 HIS 3 65.688 -22.067 58.619 22 HE2 HIS 3 HE2 HIS 3 63.876 -23.662 57.929 23 H HIS 4 H HIS 4 66.849 -28.340 58.613 24 HA HIS 4 HA HIS 4 69.610 -27.433 58.081 25 HB2 HIS 4 HB2 HIS 4 68.006 -29.740 56.873 26 HB3 HIS 4 HB3 HIS 4 69.672 -29.335 56.466 27 HD1 HIS 4 HD1 HIS 4 71.491 -30.184 58.019 28 HD2 HIS 4 HD2 HIS 4 67.669 -30.909 59.488 29 HE1 HIS 4 HE1 HIS 4 71.795 -31.740 59.957 30 HE2 HIS 4 HE2 HIS 4 69.468 -32.303 60.696 31 H HIS 5 H HIS 5 70.029 -27.381 55.601 32 HA HIS 5 HA HIS 5 67.854 -26.436 53.911 33 HB2 HIS 5 HB2 HIS 5 70.261 -24.710 54.630 34 HB3 HIS 5 HB3 HIS 5 69.440 -24.499 53.087 35 HD1 HIS 5 HD1 HIS 5 69.380 -23.331 56.506 36 HD2 HIS 5 HD2 HIS 5 66.572 -23.839 53.489 37 HE1 HIS 5 HE1 HIS 5 67.438 -21.877 57.127 38 HE2 HIS 5 HE2 HIS 5 65.838 -22.063 55.202 39 H HIS 6 H HIS 6 68.539 -26.295 51.663 40 HA HIS 6 HA HIS 6 71.100 -27.355 50.824 41 HB2 HIS 6 HB2 HIS 6 69.655 -29.416 51.196 42 HB3 HIS 6 HB3 HIS 6 68.528 -28.793 50.000 43 HD1 HIS 6 HD1 HIS 6 69.264 -28.929 47.490 44 HD2 HIS 6 HD2 HIS 6 72.008 -30.564 50.160 45 HE1 HIS 6 HE1 HIS 6 70.878 -30.245 46.086 46 HE2 HIS 6 HE2 HIS 6 72.566 -31.160 47.714 47 H HIS 7 H HIS 7 71.300 -27.065 48.381 48 HA HIS 7 HA HIS 7 69.837 -24.632 47.597 49 HB2 HIS 7 HB2 HIS 7 72.495 -25.783 46.694 50 HB3 HIS 7 HB3 HIS 7 71.716 -24.433 45.870 51 HD1 HIS 7 HD1 HIS 7 74.483 -24.182 47.342 52 HD2 HIS 7 HD2 HIS 7 70.801 -23.060 48.923 53 HE1 HIS 7 HE1 HIS 7 74.984 -22.446 49.081 54 HE2 HIS 7 HE2 HIS 7 72.750 -21.797 50.039 55 H HIS 8 H HIS 8 68.171 -24.877 46.339 56 HA HIS 8 HA HIS 8 68.429 -26.351 43.791 57 HB2 HIS 8 HB2 HIS 8 66.019 -26.358 45.659 58 HB3 HIS 8 HB3 HIS 8 65.813 -26.611 43.929 59 HD1 HIS 8 HD1 HIS 8 65.088 -28.725 46.155 60 HD2 HIS 8 HD2 HIS 8 68.577 -28.703 43.897 61 HE1 HIS 8 HE1 HIS 8 65.903 -31.093 46.125 62 HE2 HIS 8 HE2 HIS 8 67.890 -31.088 44.587 63 H SER 9 H SER 9 67.326 -25.300 42.044 64 HA SER 9 HA SER 9 65.762 -22.919 42.406 65 HB2 SER 9 HB2 SER 9 68.092 -21.996 42.604 66 HB3 SER 9 HB3 SER 9 68.451 -22.620 40.995 67 HG SER 9 HG SER 9 67.384 -21.020 40.142 68 H HIS 10 H HIS 10 64.584 -22.404 40.571 69 HA HIS 10 HA HIS 10 64.604 -24.362 38.379 70 HB2 HIS 10 HB2 HIS 10 62.598 -22.220 39.192 71 HB3 HIS 10 HB3 HIS 10 62.437 -23.180 37.721 72 HD1 HIS 10 HD1 HIS 10 61.749 -23.270 41.332 73 HD2 HIS 10 HD2 HIS 10 62.065 -26.024 38.233 74 HE1 HIS 10 HE1 HIS 10 60.706 -25.378 42.187 75 HE2 HIS 10 HE2 HIS 10 61.027 -27.063 40.351 76 H MET 11 H MET 11 64.688 -23.772 36.215 77 HA MET 11 HA MET 11 65.285 -21.086 35.339 78 HB2 MET 11 HB2 MET 11 67.513 -21.581 34.408 79 HB3 MET 11 HB3 MET 11 67.527 -21.805 36.149 80 HG2 MET 11 HG2 MET 11 67.378 -24.251 35.829 81 HG3 MET 11 HG3 MET 11 67.383 -24.015 34.081 82 HE1 MET 11 HE1 MET 11 69.538 -21.598 33.771 83 HE2 MET 11 HE2 MET 11 69.478 -23.014 32.719 84 HE3 MET 11 HE3 MET 11 70.996 -22.547 33.487 85 H GLY 12 H GLY 12 65.708 -21.063 32.947 86 HA2 GLY 12 HA2 GLY 12 65.309 -23.205 31.201 87 HA3 GLY 12 HA3 GLY 12 63.724 -22.490 31.507 88 H ASP 13 H ASP 13 64.065 -22.214 29.057 89 HA ASP 13 HA ASP 13 65.066 -19.469 28.598 90 HB2 ASP 13 HB2 ASP 13 66.711 -21.082 27.647 91 HB3 ASP 13 HB3 ASP 13 65.437 -21.813 26.672 92 H GLY 14 H GLY 14 63.678 -18.183 27.525 93 HA2 GLY 14 HA2 GLY 14 60.998 -19.179 26.912 94 HA3 GLY 14 HA3 GLY 14 61.514 -17.503 27.003 95 H GLU 15 H GLU 15 59.950 -18.939 24.964 96 HA GLU 15 HA GLU 15 61.590 -18.415 22.552 97 HB2 GLU 15 HB2 GLU 15 59.096 -20.146 22.855 98 HB3 GLU 15 HB3 GLU 15 59.983 -19.894 21.354 99 HG2 GLU 15 HG2 GLU 15 61.940 -21.054 22.259 100 HG3 GLU 15 HG3 GLU 15 61.167 -21.194 23.834 101 H GLY 16 H GLY 16 60.374 -17.469 20.717 102 HA2 GLY 16 HA2 GLY 16 58.046 -16.293 20.391 103 HA3 GLY 16 HA3 GLY 16 58.683 -15.243 21.653 104 H ALA 17 H ALA 17 59.006 -16.283 18.341 105 HA ALA 17 HA ALA 17 60.279 -13.750 17.607 106 HB1 ALA 17 HB1 ALA 17 62.071 -14.864 16.312 107 HB2 ALA 17 HB2 ALA 17 61.544 -16.436 16.911 108 HB3 ALA 17 HB3 ALA 17 62.214 -15.248 18.031 109 H GLY 18 H GLY 18 59.379 -13.038 15.733 110 HA2 GLY 18 HA2 GLY 18 58.600 -14.657 13.538 111 HA3 GLY 18 HA3 GLY 18 57.189 -14.262 14.520 112 H VAL 19 H VAL 19 58.681 -13.322 11.815 113 HA VAL 19 HA VAL 19 58.573 -10.418 12.147 114 HB VAL 19 HB VAL 19 59.285 -10.319 9.772 115 HG11 VAL 19 HG11 VAL 19 60.989 -12.188 11.458 116 HG12 VAL 19 HG12 VAL 19 61.015 -10.425 11.503 117 HG13 VAL 19 HG13 VAL 19 61.553 -11.276 10.056 118 HG21 VAL 19 HG21 VAL 19 59.910 -12.381 8.531 119 HG22 VAL 19 HG22 VAL 19 58.184 -12.350 8.894 120 HG23 VAL 19 HG23 VAL 19 59.266 -13.370 9.844 121 H LEU 20 H LEU 20 57.589 -9.393 9.914 122 HA LEU 20 HA LEU 20 54.838 -10.429 9.506 123 HB2 LEU 20 HB2 LEU 20 55.671 -7.502 9.333 124 HB3 LEU 20 HB3 LEU 20 54.046 -8.157 9.246 125 HG LEU 20 HG LEU 20 54.647 -9.001 11.742 126 HD11 LEU 20 HD11 LEU 20 56.931 -8.184 11.766 127 HD12 LEU 20 HD12 LEU 20 55.974 -7.362 12.996 128 HD13 LEU 20 HD13 LEU 20 56.373 -6.533 11.488 129 HD21 LEU 20 HD21 LEU 20 52.713 -7.588 11.218 130 HD22 LEU 20 HD22 LEU 20 53.751 -6.164 11.112 131 HD23 LEU 20 HD23 LEU 20 53.533 -6.989 12.658 132 H GLY 21 H GLY 21 53.943 -9.713 7.327 133 HA2 GLY 21 HA2 GLY 21 55.107 -8.622 5.183 134 HA3 GLY 21 HA3 GLY 21 55.948 -10.168 5.232 135 H LEU 22 H LEU 22 52.559 -9.270 5.866 136 HA LEU 22 HA LEU 22 51.671 -11.477 4.120 137 HB2 LEU 22 HB2 LEU 22 50.203 -9.928 6.279 138 HB3 LEU 22 HB3 LEU 22 49.487 -11.214 5.319 139 HG LEU 22 HG LEU 22 51.876 -11.599 7.172 140 HD11 LEU 22 HD11 LEU 22 48.979 -12.350 7.643 141 HD12 LEU 22 HD12 LEU 22 49.874 -11.085 8.489 142 HD13 LEU 22 HD13 LEU 22 50.344 -12.773 8.682 143 HD21 LEU 22 HD21 LEU 22 51.478 -14.008 6.838 144 HD22 LEU 22 HD22 LEU 22 51.852 -13.216 5.309 145 HD23 LEU 22 HD23 LEU 22 50.184 -13.649 5.691 146 H SER 23 H SER 23 50.318 -11.172 2.427 147 HA SER 23 HA SER 23 49.146 -8.554 1.783 148 HB2 SER 23 HB2 SER 23 50.872 -10.142 -0.190 149 HB3 SER 23 HB3 SER 23 50.002 -8.651 -0.547 150 HG SER 23 HG SER 23 51.332 -7.629 1.060 151 H ALA 24 H ALA 24 47.619 -8.818 -0.160 152 HA ALA 24 HA ALA 24 45.763 -9.700 -1.095 153 HB1 ALA 24 HB1 ALA 24 47.346 -11.235 -2.188 154 HB2 ALA 24 HB2 ALA 24 45.806 -12.037 -1.874 155 HB3 ALA 24 HB3 ALA 24 47.200 -12.364 -0.840 156 H SER 25 H SER 25 45.980 -9.437 1.817 157 HA SER 25 HA SER 25 44.551 -11.630 3.049 158 HB2 SER 25 HB2 SER 25 45.424 -8.963 4.219 159 HB3 SER 25 HB3 SER 25 44.962 -10.408 5.120 160 HG SER 25 HG SER 25 46.809 -11.377 3.780 161 H ALA 26 H ALA 26 43.780 -8.554 1.669 162 HA ALA 26 HA ALA 26 41.868 -7.622 0.983 163 HB1 ALA 26 HB1 ALA 26 40.380 -9.957 2.193 164 HB2 ALA 26 HB2 ALA 26 41.016 -9.876 0.549 165 HB3 ALA 26 HB3 ALA 26 39.734 -8.772 1.055 166 H GLU 27 H GLU 27 40.920 -5.874 1.735 167 HA GLU 27 HA GLU 27 40.580 -5.415 4.590 168 HB2 GLU 27 HB2 GLU 27 41.550 -3.670 3.098 169 HB3 GLU 27 HB3 GLU 27 40.033 -3.563 2.218 170 HG2 GLU 27 HG2 GLU 27 38.903 -2.847 4.347 171 HG3 GLU 27 HG3 GLU 27 40.477 -2.843 5.144 172 H CYS 28 H CYS 28 38.711 -5.825 5.604 173 HA CYS 28 HA CYS 28 36.115 -5.235 4.553 174 HB2 CYS 28 HB2 CYS 28 36.472 -7.373 3.346 175 HB3 CYS 28 HB3 CYS 28 36.859 -8.181 4.861 176 HG CYS 28 HG CYS 28 34.307 -8.927 3.895 177 H HIS 29 H HIS 29 38.004 -7.120 6.838 178 HA HIS 29 HA HIS 29 36.509 -6.030 9.128 179 HB2 HIS 29 HB2 HIS 29 37.202 -8.973 8.672 180 HB3 HIS 29 HB3 HIS 29 36.744 -8.320 10.243 181 HD1 HIS 29 HD1 HIS 29 34.245 -7.526 10.525 182 HD2 HIS 29 HD2 HIS 29 35.059 -9.472 6.940 183 HE1 HIS 29 HE1 HIS 29 32.013 -8.124 9.554 184 HE2 HIS 29 HE2 HIS 29 32.537 -9.062 7.282 185 H LEU 30 H LEU 30 37.907 -5.021 10.374 186 HA LEU 30 HA LEU 30 40.782 -5.780 10.381 187 HB2 LEU 30 HB2 LEU 30 39.609 -3.001 10.814 188 HB3 LEU 30 HB3 LEU 30 41.311 -3.410 10.689 189 HG LEU 30 HG LEU 30 39.295 -3.609 8.412 190 HD11 LEU 30 HD11 LEU 30 39.716 -1.270 8.996 191 HD12 LEU 30 HD12 LEU 30 40.424 -1.664 7.432 192 HD13 LEU 30 HD13 LEU 30 41.457 -1.533 8.858 193 HD21 LEU 30 HD21 LEU 30 41.228 -3.967 6.935 194 HD22 LEU 30 HD22 LEU 30 41.104 -5.247 8.139 195 HD23 LEU 30 HD23 LEU 30 42.308 -3.971 8.334 196 H CYS 31 H CYS 31 41.514 -6.447 12.354 197 HA CYS 31 HA CYS 31 40.048 -6.304 14.783 198 HB2 CYS 31 HB2 CYS 31 41.842 -7.993 14.433 199 HB3 CYS 31 HB3 CYS 31 43.042 -6.723 14.326 200 HA PRO 32 HA PRO 32 40.476 -1.823 14.826 201 HB2 PRO 32 HB2 PRO 32 39.257 -1.270 17.252 202 HB3 PRO 32 HB3 PRO 32 38.383 -1.711 15.780 203 HG2 PRO 32 HG2 PRO 32 39.244 -3.492 18.065 204 HG3 PRO 32 HG3 PRO 32 37.648 -3.374 17.284 205 HD2 PRO 32 HD2 PRO 32 39.332 -5.343 16.627 206 HD3 PRO 32 HD3 PRO 32 38.373 -4.538 15.365 207 H VAL 33 H VAL 33 42.360 -3.723 16.826 208 HA VAL 33 HA VAL 33 43.617 -1.458 18.257 209 HB VAL 33 HB VAL 33 44.123 -4.372 18.917 210 HG11 VAL 33 HG11 VAL 33 45.583 -2.723 19.971 211 HG12 VAL 33 HG12 VAL 33 44.560 -3.500 21.176 212 HG13 VAL 33 HG13 VAL 33 44.184 -1.866 20.627 213 HG21 VAL 33 HG21 VAL 33 41.671 -4.181 18.920 214 HG22 VAL 33 HG22 VAL 33 41.759 -2.781 19.991 215 HG23 VAL 33 HG23 VAL 33 42.282 -4.366 20.566 216 H CYS 34 H CYS 34 44.132 -3.659 15.660 217 HA CYS 34 HA CYS 34 46.891 -2.812 15.265 218 HB2 CYS 34 HB2 CYS 34 47.891 -5.002 15.291 219 HB3 CYS 34 HB3 CYS 34 47.016 -4.829 16.806 220 H GLY 35 H GLY 35 47.776 -3.589 13.137 221 HA2 GLY 35 HA2 GLY 35 45.822 -3.519 11.032 222 HA3 GLY 35 HA3 GLY 35 47.554 -3.790 10.858 223 H GLU 36 H GLU 36 44.509 -5.209 10.725 224 HA GLU 36 HA GLU 36 45.515 -7.920 10.247 225 HB2 GLU 36 HB2 GLU 36 43.592 -7.194 12.497 226 HB3 GLU 36 HB3 GLU 36 43.535 -8.788 11.768 227 HG2 GLU 36 HG2 GLU 36 46.027 -7.645 13.069 228 HG3 GLU 36 HG3 GLU 36 44.838 -8.613 13.936 229 H SER 37 H SER 37 44.911 -7.241 8.126 230 HA SER 37 HA SER 37 42.159 -6.652 7.456 231 HB2 SER 37 HB2 SER 37 43.108 -6.825 5.070 232 HB3 SER 37 HB3 SER 37 43.817 -5.587 6.105 233 HG SER 37 HG SER 37 44.978 -8.148 5.984 234 H PHE 38 H PHE 38 40.659 -8.200 7.420 235 HA PHE 38 HA PHE 38 41.224 -10.794 6.133 236 HB2 PHE 38 HB2 PHE 38 39.677 -10.423 8.747 237 HB3 PHE 38 HB3 PHE 38 39.738 -11.925 7.826 238 HD1 PHE 38 HD1 PHE 38 42.110 -12.923 7.365 239 HD2 PHE 38 HD2 PHE 38 41.298 -10.043 10.426 240 HE1 PHE 38 HE1 PHE 38 44.168 -13.578 8.534 241 HE2 PHE 38 HE2 PHE 38 43.357 -10.715 11.588 242 HZ PHE 38 HZ PHE 38 44.793 -12.477 10.648 243 H ALA 39 H ALA 39 39.612 -11.512 4.830 244 HA ALA 39 HA ALA 39 37.361 -9.856 4.154 245 HB1 ALA 39 HB1 ALA 39 38.492 -11.252 2.454 246 HB2 ALA 39 HB2 ALA 39 36.786 -11.678 2.582 247 HB3 ALA 39 HB3 ALA 39 38.010 -12.713 3.319 248 H SER 40 H SER 40 37.942 -12.630 6.213 249 HA SER 40 HA SER 40 35.118 -13.207 6.693 250 HB2 SER 40 HB2 SER 40 37.628 -14.502 7.830 251 HB3 SER 40 HB3 SER 40 35.981 -15.119 7.985 252 HG SER 40 HG SER 40 36.899 -14.601 5.405 253 H LYS 41 H LYS 41 34.054 -12.962 8.654 254 HA LYS 41 HA LYS 41 34.858 -10.827 10.389 255 HB2 LYS 41 HB2 LYS 41 32.470 -11.349 9.818 256 HB3 LYS 41 HB3 LYS 41 32.580 -12.824 10.773 257 HG2 LYS 41 HG2 LYS 41 33.126 -11.360 12.787 258 HG3 LYS 41 HG3 LYS 41 32.752 -9.961 11.782 259 HD2 LYS 41 HD2 LYS 41 30.441 -10.844 11.459 260 HD3 LYS 41 HD3 LYS 41 30.833 -12.206 12.512 261 HE2 LYS 41 HE2 LYS 41 31.278 -10.596 14.370 262 HE3 LYS 41 HE3 LYS 41 30.788 -9.275 13.310 263 HZ1 LYS 41 HZ1 LYS 41 29.014 -9.976 14.787 264 HZ2 LYS 41 HZ2 LYS 41 29.052 -11.537 14.135 265 HZ3 LYS 41 HZ3 LYS 41 28.596 -10.227 13.165 266 H GLY 42 H GLY 42 34.542 -14.357 10.812 267 HA2 GLY 42 HA2 GLY 42 35.157 -14.499 13.559 268 HA3 GLY 42 HA3 GLY 42 35.285 -15.825 12.413 269 H ALA 43 H ALA 43 37.225 -14.594 10.708 270 HA ALA 43 HA ALA 43 39.673 -15.293 12.003 271 HB1 ALA 43 HB1 ALA 43 39.234 -13.901 9.335 272 HB2 ALA 43 HB2 ALA 43 39.283 -15.649 9.589 273 HB3 ALA 43 HB3 ALA 43 40.724 -14.669 9.869 274 H GLN 44 H GLN 44 37.921 -12.333 11.763 275 HA GLN 44 HA GLN 44 40.132 -10.606 12.573 276 HB2 GLN 44 HB2 GLN 44 38.257 -9.828 11.116 277 HB3 GLN 44 HB3 GLN 44 37.117 -10.112 12.416 278 HG2 GLN 44 HG2 GLN 44 39.372 -8.096 12.595 279 HG3 GLN 44 HG3 GLN 44 37.781 -7.703 11.967 280 HE21 GLN 44 HE21 GLN 44 35.965 -7.798 13.471 281 HE22 GLN 44 HE22 GLN 44 36.237 -7.578 15.164 282 H GLU 45 H GLU 45 37.112 -11.879 13.999 283 HA GLU 45 HA GLU 45 37.275 -10.602 16.492 284 HB2 GLU 45 HB2 GLU 45 35.815 -13.164 15.776 285 HB3 GLU 45 HB3 GLU 45 35.526 -12.210 17.227 286 HG2 GLU 45 HG2 GLU 45 34.688 -10.343 15.870 287 HG3 GLU 45 HG3 GLU 45 35.074 -11.225 14.392 288 H ARG 46 H ARG 46 38.640 -13.639 15.383 289 HA ARG 46 HA ARG 46 39.212 -14.842 17.845 290 HB2 ARG 46 HB2 ARG 46 40.996 -16.113 16.649 291 HB3 ARG 46 HB3 ARG 46 39.438 -16.153 15.833 292 HG2 ARG 46 HG2 ARG 46 40.174 -14.610 14.158 293 HG3 ARG 46 HG3 ARG 46 41.656 -14.252 15.040 294 HD2 ARG 46 HD2 ARG 46 42.058 -15.720 13.112 295 HD3 ARG 46 HD3 ARG 46 42.485 -16.503 14.636 296 HE ARG 46 HE ARG 46 39.992 -17.411 14.279 297 HH11 ARG 46 HH11 ARG 46 42.590 -17.164 11.933 298 HH12 ARG 46 HH12 ARG 46 42.169 -18.648 11.138 299 HH21 ARG 46 HH21 ARG 46 39.482 -19.387 13.231 300 HH22 ARG 46 HH22 ARG 46 40.425 -19.890 11.861 301 H HIS 47 H HIS 47 41.066 -12.383 15.993 302 HA HIS 47 HA HIS 47 43.345 -12.425 17.701 303 HB2 HIS 47 HB2 HIS 47 42.931 -11.128 15.328 304 HB3 HIS 47 HB3 HIS 47 42.702 -9.763 16.419 305 HD2 HIS 47 HD2 HIS 47 45.408 -12.445 15.552 306 HE1 HIS 47 HE1 HIS 47 47.367 -9.303 17.538 307 HE2 HIS 47 HE2 HIS 47 47.622 -11.576 16.512 308 H LEU 48 H LEU 48 40.264 -10.799 17.881 309 HA LEU 48 HA LEU 48 40.920 -9.025 20.025 310 HB2 LEU 48 HB2 LEU 48 38.275 -9.990 18.909 311 HB3 LEU 48 HB3 LEU 48 38.374 -8.856 20.248 312 HG LEU 48 HG LEU 48 39.411 -8.370 17.427 313 HD11 LEU 48 HD11 LEU 48 37.635 -6.672 17.287 314 HD12 LEU 48 HD12 LEU 48 37.058 -7.134 18.889 315 HD13 LEU 48 HD13 LEU 48 36.964 -8.280 17.551 316 HD21 LEU 48 HD21 LEU 48 40.870 -7.246 19.062 317 HD22 LEU 48 HD22 LEU 48 39.467 -6.510 19.838 318 HD23 LEU 48 HD23 LEU 48 39.901 -6.062 18.191 319 H ARG 49 H ARG 49 39.416 -12.285 19.942 320 HA ARG 49 HA ARG 49 38.882 -12.234 22.788 321 HB2 ARG 49 HB2 ARG 49 38.040 -14.507 22.552 322 HB3 ARG 49 HB3 ARG 49 37.373 -13.482 21.287 323 HG2 ARG 49 HG2 ARG 49 38.652 -14.516 19.598 324 HG3 ARG 49 HG3 ARG 49 39.798 -15.196 20.753 325 HD2 ARG 49 HD2 ARG 49 36.907 -16.055 20.433 326 HD3 ARG 49 HD3 ARG 49 38.308 -16.933 19.817 327 HE ARG 49 HE ARG 49 37.707 -16.494 22.689 328 HH11 ARG 49 HH11 ARG 49 39.110 -18.482 20.180 329 HH12 ARG 49 HH12 ARG 49 39.595 -19.730 21.276 330 HH21 ARG 49 HH21 ARG 49 38.404 -18.095 24.118 331 HH22 ARG 49 HH22 ARG 49 39.209 -19.509 23.514 332 H LEU 50 H LEU 50 41.526 -13.283 20.784 333 HA LEU 50 HA LEU 50 42.694 -14.991 22.862 334 HB2 LEU 50 HB2 LEU 50 43.628 -14.370 20.036 335 HB3 LEU 50 HB3 LEU 50 44.444 -15.475 21.132 336 HG LEU 50 HG LEU 50 41.625 -15.857 20.032 337 HD11 LEU 50 HD11 LEU 50 43.306 -16.150 18.278 338 HD12 LEU 50 HD12 LEU 50 42.592 -17.704 18.705 339 HD13 LEU 50 HD13 LEU 50 44.200 -17.281 19.296 340 HD21 LEU 50 HD21 LEU 50 41.737 -18.122 21.015 341 HD22 LEU 50 HD22 LEU 50 41.833 -16.875 22.256 342 HD23 LEU 50 HD23 LEU 50 43.294 -17.727 21.752 343 H LEU 51 H LEU 51 44.139 -12.434 20.779 344 HA LEU 51 HA LEU 51 46.213 -12.084 22.837 345 HB2 LEU 51 HB2 LEU 51 46.230 -11.220 19.927 346 HB3 LEU 51 HB3 LEU 51 47.585 -11.125 21.043 347 HG LEU 51 HG LEU 51 46.320 -13.665 19.938 348 HD11 LEU 51 HD11 LEU 51 47.806 -12.553 18.347 349 HD12 LEU 51 HD12 LEU 51 48.529 -14.054 18.919 350 HD13 LEU 51 HD13 LEU 51 49.095 -12.509 19.554 351 HD21 LEU 51 HD21 LEU 51 46.915 -14.114 22.265 352 HD22 LEU 51 HD22 LEU 51 48.527 -13.432 22.021 353 HD23 LEU 51 HD23 LEU 51 48.061 -14.918 21.195 354 H HIS 52 H HIS 52 43.635 -10.324 21.344 355 HA HIS 52 HA HIS 52 44.505 -7.804 22.615 356 HB2 HIS 52 HB2 HIS 52 43.408 -8.322 19.862 357 HB3 HIS 52 HB3 HIS 52 42.788 -6.881 20.671 358 HD2 HIS 52 HD2 HIS 52 45.747 -6.319 22.176 359 HE1 HIS 52 HE1 HIS 52 46.933 -5.425 18.257 360 HE2 HIS 52 HE2 HIS 52 47.345 -4.975 20.680 361 H ALA 53 H ALA 53 43.248 -9.745 24.031 362 HA ALA 53 HA ALA 53 40.400 -9.275 24.268 363 HB1 ALA 53 HB1 ALA 53 42.236 -10.990 25.974 364 HB2 ALA 53 HB2 ALA 53 41.343 -11.534 24.553 365 HB3 ALA 53 HB3 ALA 53 40.471 -11.013 25.995 366 H ALA 54 H ALA 54 43.049 -7.593 25.410 367 HA ALA 54 HA ALA 54 42.012 -6.745 27.966 368 HB1 ALA 54 HB1 ALA 54 44.169 -5.516 26.215 369 HB2 ALA 54 HB2 ALA 54 44.425 -6.712 27.487 370 HB3 ALA 54 HB3 ALA 54 43.843 -5.097 27.898 371 H GLN 55 H GLN 55 41.591 -5.814 24.654 372 HA GLN 55 HA GLN 55 40.504 -3.157 25.265 373 HB2 GLN 55 HB2 GLN 55 41.160 -4.569 22.659 374 HB3 GLN 55 HB3 GLN 55 40.386 -2.988 22.724 375 HG2 GLN 55 HG2 GLN 55 43.067 -3.544 24.024 376 HG3 GLN 55 HG3 GLN 55 42.906 -3.019 22.353 377 HE21 GLN 55 HE21 GLN 55 44.017 -1.094 22.712 378 HE22 GLN 55 HE22 GLN 55 43.348 0.221 23.610 379 H VAL 56 H VAL 56 39.422 -6.315 24.053 380 HA VAL 56 HA VAL 56 36.628 -5.397 24.023 381 HB VAL 56 HB VAL 56 36.028 -7.656 23.257 382 HG11 VAL 56 HG11 VAL 56 38.291 -6.455 21.634 383 HG12 VAL 56 HG12 VAL 56 36.592 -5.976 21.573 384 HG13 VAL 56 HG13 VAL 56 37.073 -7.586 21.034 385 HG21 VAL 56 HG21 VAL 56 37.733 -9.006 24.414 386 HG22 VAL 56 HG22 VAL 56 39.001 -8.316 23.398 387 HG23 VAL 56 HG23 VAL 56 37.757 -9.344 22.683 388 H PHE 57 H PHE 57 35.026 -6.663 25.213 389 HA PHE 57 HA PHE 57 35.945 -7.577 27.873 390 HB2 PHE 57 HB2 PHE 57 33.752 -5.519 27.333 391 HB3 PHE 57 HB3 PHE 57 34.170 -6.178 28.909 392 HD1 PHE 57 HD2 PHE 57 36.335 -5.554 29.996 393 HD2 PHE 57 HD1 PHE 57 35.103 -3.757 26.315 394 HE1 PHE 57 HE2 PHE 57 38.004 -3.769 30.297 395 HE2 PHE 57 HE1 PHE 57 36.780 -1.990 26.620 396 HZ PHE 57 HZ PHE 57 38.231 -1.990 28.607 397 HA PRO 58 HA PRO 58 32.899 -10.619 26.144 398 HB2 PRO 58 HB2 PRO 58 33.989 -12.834 27.347 399 HB3 PRO 58 HB3 PRO 58 34.586 -12.167 25.822 400 HG2 PRO 58 HG2 PRO 58 35.652 -11.762 28.614 401 HG3 PRO 58 HG3 PRO 58 36.539 -12.107 27.111 402 HD2 PRO 58 HD2 PRO 58 36.356 -9.591 28.118 403 HD3 PRO 58 HD3 PRO 58 36.399 -9.897 26.366 404 H CYS 59 H CYS 59 30.958 -10.567 27.083 405 HA CYS 59 HA CYS 59 30.333 -10.286 29.817 406 HB2 CYS 59 HB2 CYS 59 28.699 -9.734 28.086 407 HB3 CYS 59 HB3 CYS 59 28.655 -11.396 27.524 408 H LYS 60 H LYS 60 30.277 -11.756 31.468 409 HA LYS 60 HA LYS 60 32.032 -13.937 31.089 410 HB2 LYS 60 HB2 LYS 60 30.483 -13.014 33.539 411 HB3 LYS 60 HB3 LYS 60 31.631 -14.347 33.587 412 HG2 LYS 60 HG2 LYS 60 32.772 -12.417 34.406 413 HG3 LYS 60 HG3 LYS 60 33.423 -12.749 32.802 414 HD2 LYS 60 HD2 LYS 60 31.945 -10.944 31.876 415 HD3 LYS 60 HD3 LYS 60 31.392 -10.596 33.516 416 HE2 LYS 60 HE2 LYS 60 33.121 -9.009 32.824 417 HE3 LYS 60 HE3 LYS 60 33.710 -10.006 34.157 418 HZ1 LYS 60 HZ1 LYS 60 34.312 -10.429 31.279 419 HZ2 LYS 60 HZ2 LYS 60 34.908 -11.360 32.563 420 HZ3 LYS 60 HZ3 LYS 60 35.354 -9.734 32.416 421 H TYR 61 H TYR 61 28.617 -13.874 30.909 422 HA TYR 61 HA TYR 61 28.338 -16.742 31.570 423 HB2 TYR 61 HB2 TYR 61 26.187 -14.611 31.243 424 HB3 TYR 61 HB3 TYR 61 25.916 -16.277 31.751 425 HD1 TYR 61 HD2 TYR 61 26.851 -17.059 33.994 426 HD2 TYR 61 HD1 TYR 61 26.930 -12.933 32.847 427 HE1 TYR 61 HE2 TYR 61 27.270 -16.405 36.329 428 HE2 TYR 61 HE1 TYR 61 27.364 -12.302 35.182 429 HH TYR 61 HH TYR 61 28.222 -14.574 37.585 430 H CYS 62 H CYS 62 28.202 -14.555 28.831 431 HA CYS 62 HA CYS 62 27.533 -16.829 27.057 432 HB2 CYS 62 HB2 CYS 62 26.138 -15.445 25.612 433 HB3 CYS 62 HB3 CYS 62 25.496 -15.373 27.245 434 HA PRO 63 HA PRO 63 31.330 -15.489 24.942 435 HB2 PRO 63 HB2 PRO 63 30.905 -16.765 22.513 436 HB3 PRO 63 HB3 PRO 63 31.532 -17.567 23.960 437 HG2 PRO 63 HG2 PRO 63 28.702 -17.502 22.915 438 HG3 PRO 63 HG3 PRO 63 29.625 -18.881 23.556 439 HD2 PRO 63 HD2 PRO 63 27.803 -17.604 25.074 440 HD3 PRO 63 HD3 PRO 63 29.312 -18.209 25.786 441 H ALA 64 H ALA 64 30.971 -13.319 24.796 442 HA ALA 64 HA ALA 64 29.999 -12.120 22.348 443 HB1 ALA 64 HB1 ALA 64 27.867 -12.468 23.563 444 HB2 ALA 64 HB2 ALA 64 28.245 -10.749 23.445 445 HB3 ALA 64 HB3 ALA 64 28.514 -11.611 24.963 446 H THR 65 H THR 65 31.795 -10.886 22.059 447 HA THR 65 HA THR 65 33.053 -9.522 24.337 448 HB THR 65 HB THR 65 34.799 -8.893 22.536 449 HG1 THR 65 HG1 THR 65 33.367 -9.397 20.742 450 HG21 THR 65 HG21 THR 65 35.132 -10.672 24.196 451 HG22 THR 65 HG22 THR 65 35.883 -11.080 22.648 452 HG23 THR 65 HG23 THR 65 34.354 -11.833 23.116 453 H PHE 66 H PHE 66 32.734 -7.509 24.776 454 HA PHE 66 HA PHE 66 31.474 -5.632 22.848 455 HB2 PHE 66 HB2 PHE 66 31.486 -5.539 25.910 456 HB3 PHE 66 HB3 PHE 66 30.687 -4.379 24.850 457 HD1 PHE 66 HD2 PHE 66 30.570 -7.827 26.207 458 HD2 PHE 66 HD1 PHE 66 28.569 -4.940 23.759 459 HE1 PHE 66 HE2 PHE 66 28.523 -9.189 26.248 460 HE2 PHE 66 HE1 PHE 66 26.536 -6.321 23.804 461 HZ PHE 66 HZ PHE 66 26.510 -8.442 25.048 462 H TYR 67 H TYR 67 32.753 -3.947 22.175 463 HA TYR 67 HA TYR 67 35.484 -3.786 23.082 464 HB2 TYR 67 HB2 TYR 67 34.576 -3.422 20.663 465 HB3 TYR 67 HB3 TYR 67 34.160 -1.797 21.194 466 HD1 TYR 67 HD2 TYR 67 37.083 -4.155 21.176 467 HD2 TYR 67 HD1 TYR 67 35.803 -0.092 20.833 468 HE1 TYR 67 HE2 TYR 67 39.388 -3.466 20.717 469 HE2 TYR 67 HE1 TYR 67 38.124 0.593 20.374 470 HH TYR 67 HH TYR 67 40.401 -0.214 20.753 471 H SER 68 H SER 68 32.729 -2.567 24.429 472 HA SER 68 HA SER 68 34.216 -0.499 25.927 473 HB2 SER 68 HB2 SER 68 31.279 -0.345 25.088 474 HB3 SER 68 HB3 SER 68 32.150 0.850 26.057 475 HG SER 68 HG SER 68 33.626 0.907 24.130 476 H SER 69 H SER 69 34.047 -0.673 28.124 477 HA SER 69 HA SER 69 33.047 -3.053 29.293 478 HB2 SER 69 HB2 SER 69 33.742 -2.002 31.472 479 HB3 SER 69 HB3 SER 69 35.013 -2.045 30.252 480 HG SER 69 HG SER 69 35.145 0.026 30.483 481 HA PRO 70 HA PRO 70 29.309 -0.213 30.980 482 HB2 PRO 70 HB2 PRO 70 28.808 1.192 28.357 483 HB3 PRO 70 HB3 PRO 70 28.485 1.742 30.011 484 HG2 PRO 70 HG2 PRO 70 30.578 2.715 28.673 485 HG3 PRO 70 HG3 PRO 70 30.728 2.309 30.401 486 HD2 PRO 70 HD2 PRO 70 31.665 0.743 27.994 487 HD3 PRO 70 HD3 PRO 70 32.495 1.034 29.536 488 H GLY 71 H GLY 71 29.757 -1.236 27.586 489 HA2 GLY 71 HA2 GLY 71 27.171 -2.395 27.201 490 HA3 GLY 71 HA3 GLY 71 28.590 -2.660 26.203 491 H LEU 72 H LEU 72 30.304 -3.733 28.153 492 HA LEU 72 HA LEU 72 29.809 -6.452 28.369 493 HB2 LEU 72 HB2 LEU 72 32.020 -5.622 28.788 494 HB3 LEU 72 HB3 LEU 72 31.459 -4.513 30.021 495 HG LEU 72 HG LEU 72 30.977 -6.516 31.504 496 HD11 LEU 72 HD11 LEU 72 30.810 -8.246 29.800 497 HD12 LEU 72 HD12 LEU 72 32.029 -8.653 31.002 498 HD13 LEU 72 HD13 LEU 72 32.525 -8.056 29.416 499 HD21 LEU 72 HD21 LEU 72 33.295 -6.860 32.182 500 HD22 LEU 72 HD22 LEU 72 32.992 -5.165 31.816 501 HD23 LEU 72 HD23 LEU 72 33.864 -6.171 30.659 502 H THR 73 H THR 73 29.374 -3.985 30.888 503 HA THR 73 HA THR 73 28.160 -5.680 32.811 504 HB THR 73 HB THR 73 28.078 -2.634 32.641 505 HG1 THR 73 HG1 THR 73 30.090 -4.430 33.532 506 HG21 THR 73 HG21 THR 73 26.570 -3.554 34.381 507 HG22 THR 73 HG22 THR 73 27.947 -2.730 35.112 508 HG23 THR 73 HG23 THR 73 27.904 -4.492 35.055 509 H ARG 74 H ARG 74 26.910 -3.557 30.278 510 HA ARG 74 HA ARG 74 24.256 -3.281 31.126 511 HB2 ARG 74 HB2 ARG 74 25.781 -2.251 29.045 512 HB3 ARG 74 HB3 ARG 74 24.660 -3.275 28.168 513 HG2 ARG 74 HG2 ARG 74 22.769 -2.082 29.277 514 HG3 ARG 74 HG3 ARG 74 23.947 -1.029 30.067 515 HD2 ARG 74 HD2 ARG 74 23.493 -1.284 27.078 516 HD3 ARG 74 HD3 ARG 74 22.993 0.070 28.090 517 HE ARG 74 HE ARG 74 25.809 -0.677 27.552 518 HH11 ARG 74 HH11 ARG 74 23.421 1.797 28.218 519 HH12 ARG 74 HH12 ARG 74 24.536 3.101 27.974 520 HH21 ARG 74 HH21 ARG 74 27.244 1.047 27.177 521 HH22 ARG 74 HH22 ARG 74 26.691 2.679 27.386 522 H HIS 75 H HIS 75 25.831 -5.863 29.270 523 HA HIS 75 HA HIS 75 23.446 -7.206 28.514 524 HB2 HIS 75 HB2 HIS 75 26.088 -7.701 27.894 525 HB3 HIS 75 HB3 HIS 75 25.830 -8.969 29.087 526 HD2 HIS 75 HD2 HIS 75 24.205 -7.721 25.750 527 HE1 HIS 75 HE1 HIS 75 23.041 -11.722 26.308 528 HE2 HIS 75 HE2 HIS 75 22.715 -9.650 24.935 529 H ILE 76 H ILE 76 25.634 -7.535 31.266 530 HA ILE 76 HA ILE 76 24.311 -9.689 32.549 531 HB ILE 76 HB ILE 76 26.254 -7.658 33.742 532 HG12 ILE 76 HG12 ILE 76 26.894 -10.331 32.376 533 HG13 ILE 76 HG13 ILE 76 27.093 -8.757 31.618 534 HG21 ILE 76 HG21 ILE 76 26.876 -9.472 35.329 535 HG22 ILE 76 HG22 ILE 76 25.624 -10.506 34.639 536 HG23 ILE 76 HG23 ILE 76 25.178 -9.026 35.489 537 HD11 ILE 76 HD11 ILE 76 29.200 -9.655 32.393 538 HD12 ILE 76 HD12 ILE 76 28.581 -9.744 34.044 539 HD13 ILE 76 HD13 ILE 76 28.794 -8.175 33.260 540 H ASN 77 H ASN 77 23.752 -6.235 32.581 541 HA ASN 77 HA ASN 77 22.022 -6.208 34.924 542 HB2 ASN 77 HB2 ASN 77 22.558 -4.061 32.825 543 HB3 ASN 77 HB3 ASN 77 21.573 -3.823 34.265 544 HD21 ASN 77 HD21 ASN 77 23.348 -5.364 36.016 545 HD22 ASN 77 HD22 ASN 77 24.750 -4.392 36.251 546 H LYS 78 H LYS 78 21.552 -5.708 31.397 547 HA LYS 78 HA LYS 78 18.631 -5.702 31.733 548 HB2 LYS 78 HB2 LYS 78 19.828 -3.858 30.505 549 HB3 LYS 78 HB3 LYS 78 20.318 -5.013 29.287 550 HG2 LYS 78 HG2 LYS 78 17.406 -4.428 29.868 551 HG3 LYS 78 HG3 LYS 78 18.343 -3.452 28.746 552 HD2 LYS 78 HD2 LYS 78 18.774 -5.515 27.389 553 HD3 LYS 78 HD3 LYS 78 17.739 -6.423 28.485 554 HE2 LYS 78 HE2 LYS 78 16.428 -5.886 26.552 555 HE3 LYS 78 HE3 LYS 78 15.854 -4.848 27.857 556 HZ1 LYS 78 HZ1 LYS 78 17.772 -4.019 25.748 557 HZ2 LYS 78 HZ2 LYS 78 17.096 -3.028 26.945 558 HZ3 LYS 78 HZ3 LYS 78 16.113 -3.691 25.742 559 H CYS 79 H CYS 79 21.031 -7.242 29.538 560 HA CYS 79 HA CYS 79 18.907 -8.934 28.390 561 HB2 CYS 79 HB2 CYS 79 20.238 -7.457 26.888 562 HB3 CYS 79 HB3 CYS 79 21.698 -8.329 27.337 563 HG CYS 79 HG CYS 79 19.984 -10.739 26.367 564 H HIS 80 H HIS 80 20.748 -9.353 30.886 565 HA HIS 80 HA HIS 80 20.765 -12.214 30.832 566 HB2 HIS 80 HB2 HIS 80 23.153 -10.947 29.867 567 HB3 HIS 80 HB3 HIS 80 23.537 -11.381 31.527 568 HD2 HIS 80 HD2 HIS 80 21.464 -14.187 30.785 569 HE1 HIS 80 HE1 HIS 80 25.097 -15.222 28.965 570 HE2 HIS 80 HE2 HIS 80 22.978 -16.098 29.994 571 HA PRO 81 HA PRO 81 20.360 -9.014 34.249 572 HB2 PRO 81 HB2 PRO 81 17.736 -9.105 34.865 573 HB3 PRO 81 HB3 PRO 81 18.300 -8.461 33.317 574 HG2 PRO 81 HG2 PRO 81 17.182 -11.190 33.935 575 HG3 PRO 81 HG3 PRO 81 16.780 -10.096 32.592 576 HD2 PRO 81 HD2 PRO 81 18.567 -12.196 32.374 577 HD3 PRO 81 HD3 PRO 81 18.624 -10.745 31.350 578 H SER 82 H SER 82 20.136 -12.375 34.773 579 HA SER 82 HA SER 82 20.447 -11.947 37.672 580 HB2 SER 82 HB2 SER 82 18.489 -13.991 36.530 581 HB3 SER 82 HB3 SER 82 18.914 -13.817 38.233 582 HG SER 82 HG SER 82 18.187 -11.461 37.628 583 H GLU 83 H GLU 83 20.133 -14.871 35.598 584 HA GLU 83 HA GLU 83 21.310 -16.795 35.476 585 HB2 GLU 83 HB2 GLU 83 23.712 -14.945 35.780 586 HB3 GLU 83 HB3 GLU 83 23.792 -16.609 35.214 587 HG2 GLU 83 HG2 GLU 83 22.367 -14.319 33.825 588 HG3 GLU 83 HG3 GLU 83 23.907 -15.027 33.338 589 H ASN 84 H ASN 84 20.268 -16.193 37.979 590 HA ASN 84 HA ASN 84 22.258 -17.106 39.975 591 HB2 ASN 84 HB2 ASN 84 19.500 -15.848 40.389 592 HB3 ASN 84 HB3 ASN 84 20.651 -16.243 41.665 593 HD21 ASN 84 HD21 ASN 84 23.005 -15.260 40.259 594 HD22 ASN 84 HD22 ASN 84 22.880 -13.543 40.236 595 H ARG 85 H ARG 85 20.355 -18.605 37.927 596 HA ARG 85 HA ARG 85 18.766 -20.287 39.711 597 HB2 ARG 85 HB2 ARG 85 17.865 -19.439 37.516 598 HB3 ARG 85 HB3 ARG 85 19.071 -20.399 36.671 599 HG2 ARG 85 HG2 ARG 85 18.059 -22.462 37.692 600 HG3 ARG 85 HG3 ARG 85 16.784 -21.449 38.374 601 HD2 ARG 85 HD2 ARG 85 16.003 -22.492 36.302 602 HD3 ARG 85 HD3 ARG 85 16.144 -20.745 36.074 603 HE ARG 85 HE ARG 85 18.436 -22.368 35.277 604 HH11 ARG 85 HH11 ARG 85 15.567 -20.661 34.167 605 HH12 ARG 85 HH12 ARG 85 16.104 -20.610 32.521 606 HH21 ARG 85 HH21 ARG 85 19.115 -22.268 33.140 607 HH22 ARG 85 HH22 ARG 85 18.108 -21.537 31.933 Start of MODEL 20 1 H1 MET 1 H1 MET 1 63.867 -23.935 -22.840 2 H2 MET 1 H2 MET 1 65.181 -23.401 -23.763 3 H3 MET 1 H3 MET 1 64.541 -24.938 -24.023 4 HA MET 1 HA MET 1 63.158 -22.369 -24.508 5 HB2 MET 1 HB2 MET 1 64.948 -22.828 -26.158 6 HB3 MET 1 HB3 MET 1 64.287 -24.425 -26.478 7 HG2 MET 1 HG2 MET 1 62.203 -23.311 -27.337 8 HG3 MET 1 HG3 MET 1 63.008 -21.757 -27.133 9 HE1 MET 1 HE1 MET 1 65.972 -22.121 -29.741 10 HE2 MET 1 HE2 MET 1 66.051 -22.596 -28.046 11 HE3 MET 1 HE3 MET 1 65.262 -21.084 -28.504 12 H GLY 2 H GLY 2 63.048 -25.930 -25.026 13 HA2 GLY 2 HA2 GLY 2 60.321 -25.983 -25.925 14 HA3 GLY 2 HA3 GLY 2 61.337 -27.364 -25.554 15 H HIS 3 H HIS 3 59.126 -24.989 -24.212 16 HA HIS 3 HA HIS 3 58.851 -26.498 -21.681 17 HB2 HIS 3 HB2 HIS 3 57.905 -23.683 -22.399 18 HB3 HIS 3 HB3 HIS 3 57.635 -24.470 -20.844 19 HD1 HIS 3 HD1 HIS 3 60.142 -22.553 -22.751 20 HD2 HIS 3 HD2 HIS 3 60.042 -24.874 -19.305 21 HE1 HIS 3 HE1 HIS 3 62.249 -22.021 -21.508 22 HE2 HIS 3 HE2 HIS 3 62.089 -23.301 -19.355 23 H HIS 4 H HIS 4 57.330 -28.014 -21.789 24 HA HIS 4 HA HIS 4 54.760 -27.495 -23.200 25 HB2 HIS 4 HB2 HIS 4 56.079 -30.200 -22.698 26 HB3 HIS 4 HB3 HIS 4 54.605 -29.919 -23.620 27 HD1 HIS 4 HD1 HIS 4 58.343 -29.587 -23.831 28 HD2 HIS 4 HD2 HIS 4 55.011 -29.034 -26.255 29 HE1 HIS 4 HE1 HIS 4 59.235 -29.237 -26.140 30 HE2 HIS 4 HE2 HIS 4 57.207 -28.998 -27.605 31 H HIS 5 H HIS 5 56.331 -28.260 -20.230 32 HA HIS 5 HA HIS 5 53.738 -28.565 -18.832 33 HB2 HIS 5 HB2 HIS 5 56.298 -30.116 -18.203 34 HB3 HIS 5 HB3 HIS 5 54.797 -30.211 -17.290 35 HD1 HIS 5 HD1 HIS 5 56.444 -31.463 -20.398 36 HD2 HIS 5 HD2 HIS 5 52.736 -31.734 -18.540 37 HE1 HIS 5 HE1 HIS 5 55.225 -33.290 -21.600 38 HE2 HIS 5 HE2 HIS 5 53.005 -33.479 -20.425 39 H HIS 6 H HIS 6 53.700 -26.462 -18.077 40 HA HIS 6 HA HIS 6 55.380 -25.847 -15.788 41 HB2 HIS 6 HB2 HIS 6 56.673 -24.877 -17.755 42 HB3 HIS 6 HB3 HIS 6 55.299 -23.839 -18.115 43 HD1 HIS 6 HD1 HIS 6 58.264 -24.142 -15.920 44 HD2 HIS 6 HD2 HIS 6 54.888 -21.738 -16.153 45 HE1 HIS 6 HE1 HIS 6 58.749 -22.153 -14.475 46 HE2 HIS 6 HE2 HIS 6 56.604 -20.848 -14.453 47 H HIS 7 H HIS 7 53.564 -25.909 -14.540 48 HA HIS 7 HA HIS 7 51.563 -25.519 -13.620 49 HB2 HIS 7 HB2 HIS 7 51.760 -22.879 -15.112 50 HB3 HIS 7 HB3 HIS 7 50.366 -23.279 -14.108 51 HD1 HIS 7 HD1 HIS 7 53.047 -21.188 -13.780 52 HD2 HIS 7 HD2 HIS 7 51.733 -24.337 -11.405 53 HE1 HIS 7 HE1 HIS 7 53.977 -20.763 -11.497 54 HE2 HIS 7 HE2 HIS 7 53.076 -22.596 -10.054 55 H HIS 8 H HIS 8 50.004 -26.881 -14.172 56 HA HIS 8 HA HIS 8 49.067 -27.525 -16.720 57 HB2 HIS 8 HB2 HIS 8 48.742 -29.000 -14.768 58 HB3 HIS 8 HB3 HIS 8 47.676 -27.831 -14.009 59 HD1 HIS 8 HD1 HIS 8 47.737 -30.515 -16.598 60 HD2 HIS 8 HD2 HIS 8 45.025 -27.749 -15.114 61 HE1 HIS 8 HE1 HIS 8 45.499 -31.233 -17.453 62 HE2 HIS 8 HE2 HIS 8 43.864 -29.647 -16.403 63 H SER 9 H SER 9 48.156 -26.132 -18.075 64 HA SER 9 HA SER 9 47.023 -24.444 -19.032 65 HB2 SER 9 HB2 SER 9 45.094 -24.648 -16.679 66 HB3 SER 9 HB3 SER 9 44.761 -23.893 -18.229 67 HG SER 9 HG SER 9 45.007 -25.952 -19.198 68 H HIS 10 H HIS 10 48.408 -22.748 -18.978 69 HA HIS 10 HA HIS 10 49.539 -21.489 -16.777 70 HB2 HIS 10 HB2 HIS 10 50.616 -21.275 -18.908 71 HB3 HIS 10 HB3 HIS 10 49.193 -20.547 -19.642 72 HD1 HIS 10 HD1 HIS 10 49.362 -18.077 -19.911 73 HD2 HIS 10 HD2 HIS 10 51.725 -19.419 -16.764 74 HE1 HIS 10 HE1 HIS 10 50.527 -16.044 -19.021 75 HE2 HIS 10 HE2 HIS 10 51.813 -16.856 -17.027 76 H MET 11 H MET 11 48.131 -20.804 -15.223 77 HA MET 11 HA MET 11 46.752 -18.231 -15.702 78 HB2 MET 11 HB2 MET 11 45.593 -20.627 -14.203 79 HB3 MET 11 HB3 MET 11 44.989 -18.992 -13.986 80 HG2 MET 11 HG2 MET 11 44.391 -18.911 -16.392 81 HG3 MET 11 HG3 MET 11 44.948 -20.578 -16.564 82 HE1 MET 11 HE1 MET 11 41.322 -19.391 -13.922 83 HE2 MET 11 HE2 MET 11 42.325 -18.216 -14.770 84 HE3 MET 11 HE3 MET 11 42.984 -19.114 -13.401 85 H GLY 12 H GLY 12 48.105 -20.547 -13.373 86 HA2 GLY 12 HA2 GLY 12 49.305 -20.289 -11.437 87 HA3 GLY 12 HA3 GLY 12 49.538 -18.595 -11.864 88 H ASP 13 H ASP 13 46.605 -20.523 -11.206 89 HA ASP 13 HA ASP 13 45.283 -18.465 -9.752 90 HB2 ASP 13 HB2 ASP 13 44.041 -20.203 -10.995 91 HB3 ASP 13 HB3 ASP 13 44.684 -21.456 -9.937 92 H GLY 14 H GLY 14 46.471 -17.785 -8.017 93 HA2 GLY 14 HA2 GLY 14 46.138 -18.458 -5.505 94 HA3 GLY 14 HA3 GLY 14 47.349 -19.661 -5.924 95 H GLU 15 H GLU 15 48.643 -17.636 -7.835 96 HA GLU 15 HA GLU 15 50.458 -16.547 -5.814 97 HB2 GLU 15 HB2 GLU 15 51.992 -16.069 -7.642 98 HB3 GLU 15 HB3 GLU 15 51.402 -17.721 -7.775 99 HG2 GLU 15 HG2 GLU 15 49.883 -17.067 -9.585 100 HG3 GLU 15 HG3 GLU 15 50.370 -15.382 -9.418 101 H GLY 16 H GLY 16 51.453 -14.327 -6.345 102 HA2 GLY 16 HA2 GLY 16 50.274 -12.206 -7.615 103 HA3 GLY 16 HA3 GLY 16 49.401 -12.321 -6.092 104 H ALA 17 H ALA 17 51.504 -13.215 -4.465 105 HA ALA 17 HA ALA 17 52.825 -10.758 -3.817 106 HB1 ALA 17 HB1 ALA 17 52.068 -12.319 -2.065 107 HB2 ALA 17 HB2 ALA 17 53.803 -12.030 -1.944 108 HB3 ALA 17 HB3 ALA 17 53.206 -13.539 -2.640 109 H GLY 18 H GLY 18 54.073 -10.295 -5.651 110 HA2 GLY 18 HA2 GLY 18 56.770 -10.967 -5.689 111 HA3 GLY 18 HA3 GLY 18 55.981 -12.020 -6.867 112 H VAL 19 H VAL 19 54.181 -10.633 -8.090 113 HA VAL 19 HA VAL 19 55.383 -8.246 -9.283 114 HB VAL 19 HB VAL 19 53.351 -8.263 -10.779 115 HG11 VAL 19 HG11 VAL 19 54.905 -10.876 -10.731 116 HG12 VAL 19 HG12 VAL 19 55.400 -9.381 -11.526 117 HG13 VAL 19 HG13 VAL 19 53.978 -10.254 -12.099 118 HG21 VAL 19 HG21 VAL 19 51.745 -9.344 -9.239 119 HG22 VAL 19 HG22 VAL 19 52.641 -10.860 -9.348 120 HG23 VAL 19 HG23 VAL 19 51.830 -10.210 -10.772 121 H LEU 20 H LEU 20 54.119 -6.237 -9.407 122 HA LEU 20 HA LEU 20 53.260 -5.420 -6.835 123 HB2 LEU 20 HB2 LEU 20 52.780 -3.207 -7.924 124 HB3 LEU 20 HB3 LEU 20 54.404 -3.817 -8.157 125 HG LEU 20 HG LEU 20 53.507 -4.631 -10.502 126 HD11 LEU 20 HD11 LEU 20 51.450 -2.480 -9.920 127 HD12 LEU 20 HD12 LEU 20 51.136 -4.193 -10.194 128 HD13 LEU 20 HD13 LEU 20 51.765 -3.198 -11.504 129 HD21 LEU 20 HD21 LEU 20 55.240 -2.920 -10.235 130 HD22 LEU 20 HD22 LEU 20 54.012 -1.678 -9.979 131 HD23 LEU 20 HD23 LEU 20 54.141 -2.489 -11.543 132 H GLY 21 H GLY 21 51.261 -4.683 -6.098 133 HA2 GLY 21 HA2 GLY 21 48.808 -4.910 -7.561 134 HA3 GLY 21 HA3 GLY 21 49.048 -6.289 -6.486 135 H LEU 22 H LEU 22 47.058 -4.046 -6.418 136 HA LEU 22 HA LEU 22 47.614 -2.237 -4.324 137 HB2 LEU 22 HB2 LEU 22 44.920 -3.317 -5.236 138 HB3 LEU 22 HB3 LEU 22 45.154 -1.894 -4.236 139 HG LEU 22 HG LEU 22 46.038 -2.183 -7.137 140 HD11 LEU 22 HD11 LEU 22 43.596 -1.976 -6.927 141 HD12 LEU 22 HD12 LEU 22 44.290 -0.527 -7.649 142 HD13 LEU 22 HD13 LEU 22 43.791 -0.514 -5.957 143 HD21 LEU 22 HD21 LEU 22 46.614 0.220 -7.025 144 HD22 LEU 22 HD22 LEU 22 47.599 -0.733 -5.920 145 HD23 LEU 22 HD23 LEU 22 46.257 0.227 -5.295 146 H SER 23 H SER 23 45.950 -5.367 -4.352 147 HA SER 23 HA SER 23 46.851 -6.084 -1.725 148 HB2 SER 23 HB2 SER 23 44.887 -4.606 -1.156 149 HB3 SER 23 HB3 SER 23 43.838 -5.679 -2.091 150 HG SER 23 HG SER 23 44.574 -5.909 0.443 151 H ALA 24 H ALA 24 46.192 -8.290 -1.165 152 HA ALA 24 HA ALA 24 45.435 -9.964 -3.497 153 HB1 ALA 24 HB1 ALA 24 46.899 -11.718 -2.567 154 HB2 ALA 24 HB2 ALA 24 47.347 -10.652 -1.232 155 HB3 ALA 24 HB3 ALA 24 47.809 -10.240 -2.883 156 H SER 25 H SER 25 45.044 -9.328 -0.071 157 HA SER 25 HA SER 25 43.028 -11.463 0.230 158 HB2 SER 25 HB2 SER 25 44.996 -11.544 1.782 159 HB3 SER 25 HB3 SER 25 44.552 -9.958 2.400 160 HG SER 25 HG SER 25 42.478 -10.982 2.972 161 H ALA 26 H ALA 26 43.211 -8.199 -0.396 162 HA ALA 26 HA ALA 26 41.962 -6.348 -0.146 163 HB1 ALA 26 HB1 ALA 26 39.514 -6.572 0.114 164 HB2 ALA 26 HB2 ALA 26 39.716 -8.264 0.573 165 HB3 ALA 26 HB3 ALA 26 40.139 -7.737 -1.056 166 H GLU 27 H GLU 27 40.194 -5.336 1.612 167 HA GLU 27 HA GLU 27 41.483 -5.465 4.219 168 HB2 GLU 27 HB2 GLU 27 39.454 -3.695 4.689 169 HB3 GLU 27 HB3 GLU 27 41.003 -3.235 4.010 170 HG2 GLU 27 HG2 GLU 27 39.209 -2.138 2.795 171 HG3 GLU 27 HG3 GLU 27 40.036 -3.279 1.739 172 H CYS 28 H CYS 28 38.346 -6.228 2.789 173 HA CYS 28 HA CYS 28 36.525 -7.330 3.391 174 HB2 CYS 28 HB2 CYS 28 38.537 -9.099 4.824 175 HB3 CYS 28 HB3 CYS 28 36.891 -9.568 4.411 176 HG CYS 28 HG CYS 28 39.592 -9.252 2.414 177 H HIS 29 H HIS 29 38.116 -8.019 6.512 178 HA HIS 29 HA HIS 29 36.586 -5.930 7.851 179 HB2 HIS 29 HB2 HIS 29 35.216 -8.153 7.889 180 HB3 HIS 29 HB3 HIS 29 36.445 -8.760 8.996 181 HD1 HIS 29 HD1 HIS 29 36.796 -6.943 11.166 182 HD2 HIS 29 HD2 HIS 29 33.128 -7.016 9.222 183 HE1 HIS 29 HE1 HIS 29 35.182 -5.830 12.721 184 HE2 HIS 29 HE2 HIS 29 33.011 -5.750 11.466 185 H LEU 30 H LEU 30 37.792 -4.985 9.385 186 HA LEU 30 HA LEU 30 40.501 -5.971 9.893 187 HB2 LEU 30 HB2 LEU 30 39.235 -3.369 10.827 188 HB3 LEU 30 HB3 LEU 30 40.948 -3.751 10.767 189 HG LEU 30 HG LEU 30 39.125 -3.320 8.366 190 HD11 LEU 30 HD11 LEU 30 40.456 -1.286 7.957 191 HD12 LEU 30 HD12 LEU 30 41.373 -1.584 9.437 192 HD13 LEU 30 HD13 LEU 30 39.648 -1.225 9.524 193 HD21 LEU 30 HD21 LEU 30 42.103 -3.925 8.389 194 HD22 LEU 30 HD22 LEU 30 41.155 -3.475 6.970 195 HD23 LEU 30 HD23 LEU 30 40.821 -4.990 7.800 196 H CYS 31 H CYS 31 41.293 -6.488 11.969 197 HA CYS 31 HA CYS 31 39.551 -7.364 14.043 198 HB2 CYS 31 HB2 CYS 31 41.716 -8.384 13.911 199 HB3 CYS 31 HB3 CYS 31 42.539 -6.840 13.975 200 HA PRO 32 HA PRO 32 37.876 -3.240 14.623 201 HB2 PRO 32 HB2 PRO 32 37.900 -4.158 17.517 202 HB3 PRO 32 HB3 PRO 32 36.667 -3.210 16.665 203 HG2 PRO 32 HG2 PRO 32 36.427 -5.885 16.974 204 HG3 PRO 32 HG3 PRO 32 35.853 -5.064 15.507 205 HD2 PRO 32 HD2 PRO 32 38.114 -6.923 15.815 206 HD3 PRO 32 HD3 PRO 32 37.352 -6.336 14.325 207 H VAL 33 H VAL 33 40.134 -3.969 17.331 208 HA VAL 33 HA VAL 33 40.586 -1.152 17.785 209 HB VAL 33 HB VAL 33 41.836 -3.533 19.212 210 HG11 VAL 33 HG11 VAL 33 42.194 -1.944 21.089 211 HG12 VAL 33 HG12 VAL 33 41.589 -0.628 20.080 212 HG13 VAL 33 HG13 VAL 33 43.078 -1.469 19.641 213 HG21 VAL 33 HG21 VAL 33 39.302 -1.998 19.920 214 HG22 VAL 33 HG22 VAL 33 40.055 -3.245 20.917 215 HG23 VAL 33 HG23 VAL 33 39.383 -3.663 19.341 216 H CYS 34 H CYS 34 42.428 -3.760 16.185 217 HA CYS 34 HA CYS 34 44.416 -1.694 15.383 218 HB2 CYS 34 HB2 CYS 34 46.106 -3.393 15.050 219 HB3 CYS 34 HB3 CYS 34 45.460 -3.610 16.672 220 H GLY 35 H GLY 35 44.190 -1.073 13.298 221 HA2 GLY 35 HA2 GLY 35 42.509 -2.260 11.371 222 HA3 GLY 35 HA3 GLY 35 43.826 -1.136 11.028 223 H GLU 36 H GLU 36 42.753 -4.227 10.480 224 HA GLU 36 HA GLU 36 45.283 -5.401 9.744 225 HB2 GLU 36 HB2 GLU 36 45.320 -5.511 12.258 226 HB3 GLU 36 HB3 GLU 36 43.843 -6.462 12.226 227 HG2 GLU 36 HG2 GLU 36 45.033 -8.274 11.044 228 HG3 GLU 36 HG3 GLU 36 46.512 -7.302 11.058 229 H SER 37 H SER 37 44.559 -6.221 7.891 230 HA SER 37 HA SER 37 41.823 -6.694 7.348 231 HB2 SER 37 HB2 SER 37 44.275 -7.310 5.661 232 HB3 SER 37 HB3 SER 37 42.612 -7.180 5.077 233 HG SER 37 HG SER 37 43.157 -5.158 4.794 234 H PHE 38 H PHE 38 40.709 -8.464 7.736 235 HA PHE 38 HA PHE 38 41.936 -11.146 7.505 236 HB2 PHE 38 HB2 PHE 38 39.963 -10.153 9.605 237 HB3 PHE 38 HB3 PHE 38 40.258 -11.865 9.305 238 HD1 PHE 38 HD1 PHE 38 43.093 -12.177 9.029 239 HD2 PHE 38 HD2 PHE 38 40.970 -9.542 11.646 240 HE1 PHE 38 HE1 PHE 38 44.982 -12.206 10.597 241 HE2 PHE 38 HE2 PHE 38 42.862 -9.586 13.203 242 HZ PHE 38 HZ PHE 38 44.869 -10.910 12.685 243 H ALA 39 H ALA 39 40.877 -12.523 6.227 244 HA ALA 39 HA ALA 39 38.798 -11.593 4.491 245 HB1 ALA 39 HB1 ALA 39 39.035 -13.790 3.403 246 HB2 ALA 39 HB2 ALA 39 40.003 -14.375 4.759 247 HB3 ALA 39 HB3 ALA 39 40.618 -13.082 3.730 248 H SER 40 H SER 40 38.786 -13.301 7.498 249 HA SER 40 HA SER 40 35.864 -13.606 7.389 250 HB2 SER 40 HB2 SER 40 36.771 -15.832 6.796 251 HB3 SER 40 HB3 SER 40 37.773 -15.831 8.247 252 HG SER 40 HG SER 40 34.989 -16.103 7.982 253 H LYS 41 H LYS 41 34.855 -13.619 9.447 254 HA LYS 41 HA LYS 41 36.060 -11.988 11.437 255 HB2 LYS 41 HB2 LYS 41 33.642 -11.883 11.042 256 HB3 LYS 41 HB3 LYS 41 33.454 -13.571 11.498 257 HG2 LYS 41 HG2 LYS 41 34.031 -13.069 13.818 258 HG3 LYS 41 HG3 LYS 41 34.417 -11.401 13.405 259 HD2 LYS 41 HD2 LYS 41 31.644 -12.623 13.141 260 HD3 LYS 41 HD3 LYS 41 32.192 -11.718 14.550 261 HE2 LYS 41 HE2 LYS 41 32.614 -9.757 13.039 262 HE3 LYS 41 HE3 LYS 41 31.866 -10.666 11.723 263 HZ1 LYS 41 HZ1 LYS 41 30.305 -9.169 12.800 264 HZ2 LYS 41 HZ2 LYS 41 30.556 -9.935 14.283 265 HZ3 LYS 41 HZ3 LYS 41 29.829 -10.778 13.013 266 H GLY 42 H GLY 42 35.989 -15.439 10.953 267 HA2 GLY 42 HA2 GLY 42 36.526 -16.444 13.502 268 HA3 GLY 42 HA3 GLY 42 37.148 -17.112 12.000 269 H ALA 43 H ALA 43 38.786 -15.160 11.086 270 HA ALA 43 HA ALA 43 41.140 -15.399 12.730 271 HB1 ALA 43 HB1 ALA 43 41.219 -15.536 10.267 272 HB2 ALA 43 HB2 ALA 43 42.253 -14.245 10.872 273 HB3 ALA 43 HB3 ALA 43 40.693 -13.854 10.143 274 H GLN 44 H GLN 44 38.730 -12.879 12.157 275 HA GLN 44 HA GLN 44 40.028 -10.627 13.282 276 HB2 GLN 44 HB2 GLN 44 37.971 -10.331 12.036 277 HB3 GLN 44 HB3 GLN 44 37.094 -11.411 13.108 278 HG2 GLN 44 HG2 GLN 44 37.516 -9.678 14.959 279 HG3 GLN 44 HG3 GLN 44 38.032 -8.584 13.676 280 HE21 GLN 44 HE21 GLN 44 35.738 -8.422 15.530 281 HE22 GLN 44 HE22 GLN 44 34.341 -8.263 14.528 282 H GLU 45 H GLU 45 37.680 -12.852 14.761 283 HA GLU 45 HA GLU 45 37.878 -12.001 17.415 284 HB2 GLU 45 HB2 GLU 45 37.047 -14.735 16.347 285 HB3 GLU 45 HB3 GLU 45 36.753 -14.161 17.983 286 HG2 GLU 45 HG2 GLU 45 35.561 -13.067 15.426 287 HG3 GLU 45 HG3 GLU 45 34.731 -13.986 16.680 288 H ARG 46 H ARG 46 39.844 -14.156 15.526 289 HA ARG 46 HA ARG 46 41.148 -15.557 17.579 290 HB2 ARG 46 HB2 ARG 46 41.143 -16.258 15.200 291 HB3 ARG 46 HB3 ARG 46 42.157 -14.884 14.788 292 HG2 ARG 46 HG2 ARG 46 43.480 -16.924 14.898 293 HG3 ARG 46 HG3 ARG 46 43.981 -15.803 16.163 294 HD2 ARG 46 HD2 ARG 46 43.912 -18.059 17.053 295 HD3 ARG 46 HD3 ARG 46 42.645 -17.093 17.811 296 HE ARG 46 HE ARG 46 41.463 -18.359 15.645 297 HH11 ARG 46 HH11 ARG 46 43.039 -19.410 18.614 298 HH12 ARG 46 HH12 ARG 46 42.121 -20.876 18.712 299 HH21 ARG 46 HH21 ARG 46 40.280 -20.280 15.797 300 HH22 ARG 46 HH22 ARG 46 40.552 -21.368 17.122 301 H HIS 47 H HIS 47 42.058 -12.471 15.895 302 HA HIS 47 HA HIS 47 44.427 -12.112 17.493 303 HB2 HIS 47 HB2 HIS 47 43.850 -10.906 15.215 304 HB3 HIS 47 HB3 HIS 47 43.018 -9.727 16.223 305 HD2 HIS 47 HD2 HIS 47 46.613 -11.189 15.732 306 HE1 HIS 47 HE1 HIS 47 47.026 -7.489 17.683 307 HE2 HIS 47 HE2 HIS 47 48.217 -9.314 16.427 308 H LEU 48 H LEU 48 41.060 -11.156 17.766 309 HA LEU 48 HA LEU 48 41.310 -9.294 19.882 310 HB2 LEU 48 HB2 LEU 48 38.942 -10.951 18.971 311 HB3 LEU 48 HB3 LEU 48 38.828 -9.712 20.207 312 HG LEU 48 HG LEU 48 39.586 -9.228 17.294 313 HD11 LEU 48 HD11 LEU 48 37.218 -9.813 17.521 314 HD12 LEU 48 HD12 LEU 48 37.396 -8.111 17.102 315 HD13 LEU 48 HD13 LEU 48 37.008 -8.572 18.760 316 HD21 LEU 48 HD21 LEU 48 40.695 -7.588 18.760 317 HD22 LEU 48 HD22 LEU 48 39.153 -7.199 19.522 318 HD23 LEU 48 HD23 LEU 48 39.419 -6.816 17.820 319 H ARG 49 H ARG 49 40.978 -12.819 19.914 320 HA ARG 49 HA ARG 49 40.657 -12.921 22.806 321 HB2 ARG 49 HB2 ARG 49 40.596 -15.362 22.585 322 HB3 ARG 49 HB3 ARG 49 39.486 -14.596 21.457 323 HG2 ARG 49 HG2 ARG 49 41.232 -14.912 19.650 324 HG3 ARG 49 HG3 ARG 49 42.159 -15.874 20.808 325 HD2 ARG 49 HD2 ARG 49 40.754 -17.249 19.262 326 HD3 ARG 49 HD3 ARG 49 40.361 -17.504 20.969 327 HE ARG 49 HE ARG 49 38.756 -15.492 19.598 328 HH11 ARG 49 HH11 ARG 49 38.937 -18.899 20.477 329 HH12 ARG 49 HH12 ARG 49 37.214 -19.120 20.438 330 HH21 ARG 49 HH21 ARG 49 36.508 -15.809 19.573 331 HH22 ARG 49 HH22 ARG 49 35.848 -17.379 19.915 332 H LEU 50 H LEU 50 43.284 -13.212 20.484 333 HA LEU 50 HA LEU 50 45.127 -14.327 22.463 334 HB2 LEU 50 HB2 LEU 50 45.565 -13.572 19.554 335 HB3 LEU 50 HB3 LEU 50 46.782 -14.307 20.584 336 HG LEU 50 HG LEU 50 44.175 -15.602 19.695 337 HD11 LEU 50 HD11 LEU 50 47.034 -16.237 18.916 338 HD12 LEU 50 HD12 LEU 50 45.813 -15.483 17.889 339 HD13 LEU 50 HD13 LEU 50 45.603 -17.148 18.424 340 HD21 LEU 50 HD21 LEU 50 44.702 -16.360 21.949 341 HD22 LEU 50 HD22 LEU 50 46.356 -16.745 21.469 342 HD23 LEU 50 HD23 LEU 50 45.005 -17.658 20.796 343 H LEU 51 H LEU 51 45.607 -11.596 20.170 344 HA LEU 51 HA LEU 51 47.413 -10.368 22.166 345 HB2 LEU 51 HB2 LEU 51 47.277 -9.934 19.165 346 HB3 LEU 51 HB3 LEU 51 48.484 -9.262 20.247 347 HG LEU 51 HG LEU 51 48.153 -12.206 19.542 348 HD11 LEU 51 HD11 LEU 51 49.140 -10.899 17.721 349 HD12 LEU 51 HD12 LEU 51 50.327 -11.990 18.430 350 HD13 LEU 51 HD13 LEU 51 50.373 -10.269 18.819 351 HD21 LEU 51 HD21 LEU 51 50.200 -12.619 20.860 352 HD22 LEU 51 HD22 LEU 51 48.892 -12.022 21.876 353 HD23 LEU 51 HD23 LEU 51 50.200 -10.936 21.401 354 H HIS 52 H HIS 52 44.342 -10.007 21.732 355 HA HIS 52 HA HIS 52 44.379 -7.153 22.242 356 HB2 HIS 52 HB2 HIS 52 43.524 -8.193 19.648 357 HB3 HIS 52 HB3 HIS 52 42.132 -7.456 20.440 358 HD2 HIS 52 HD2 HIS 52 44.150 -5.139 21.894 359 HE1 HIS 52 HE1 HIS 52 44.389 -3.821 17.940 360 HE2 HIS 52 HE2 HIS 52 44.969 -3.306 20.311 361 H ALA 53 H ALA 53 43.912 -9.538 23.785 362 HA ALA 53 HA ALA 53 41.113 -9.888 24.326 363 HB1 ALA 53 HB1 ALA 53 41.870 -11.345 26.156 364 HB2 ALA 53 HB2 ALA 53 43.532 -10.795 25.925 365 HB3 ALA 53 HB3 ALA 53 42.719 -11.709 24.656 366 H ALA 54 H ALA 54 43.609 -7.809 25.562 367 HA ALA 54 HA ALA 54 42.359 -6.991 27.997 368 HB1 ALA 54 HB1 ALA 54 44.780 -6.733 27.592 369 HB2 ALA 54 HB2 ALA 54 44.038 -5.187 27.993 370 HB3 ALA 54 HB3 ALA 54 44.454 -5.556 26.317 371 H GLN 55 H GLN 55 41.595 -6.354 24.750 372 HA GLN 55 HA GLN 55 40.381 -3.719 25.284 373 HB2 GLN 55 HB2 GLN 55 41.305 -5.011 22.692 374 HB3 GLN 55 HB3 GLN 55 40.430 -3.483 22.756 375 HG2 GLN 55 HG2 GLN 55 43.098 -3.965 24.125 376 HG3 GLN 55 HG3 GLN 55 42.922 -3.249 22.524 377 HE21 GLN 55 HE21 GLN 55 42.401 -2.746 25.954 378 HE22 GLN 55 HE22 GLN 55 42.162 -1.038 25.865 379 H VAL 56 H VAL 56 39.509 -6.985 24.779 380 HA VAL 56 HA VAL 56 36.767 -6.206 23.938 381 HB VAL 56 HB VAL 56 36.420 -8.553 23.213 382 HG11 VAL 56 HG11 VAL 56 37.183 -6.901 21.559 383 HG12 VAL 56 HG12 VAL 56 37.821 -8.502 21.186 384 HG13 VAL 56 HG13 VAL 56 38.868 -7.288 21.928 385 HG21 VAL 56 HG21 VAL 56 39.363 -9.006 23.875 386 HG22 VAL 56 HG22 VAL 56 38.311 -10.153 23.044 387 HG23 VAL 56 HG23 VAL 56 37.989 -9.721 24.723 388 H PHE 57 H PHE 57 35.041 -6.925 25.073 389 HA PHE 57 HA PHE 57 35.370 -8.382 27.612 390 HB2 PHE 57 HB2 PHE 57 33.831 -5.768 27.221 391 HB3 PHE 57 HB3 PHE 57 33.736 -6.774 28.664 392 HD1 PHE 57 HD1 PHE 57 35.701 -6.987 30.183 393 HD2 PHE 57 HD2 PHE 57 35.765 -4.336 26.823 394 HE1 PHE 57 HE1 PHE 57 37.669 -5.848 31.117 395 HE2 PHE 57 HE2 PHE 57 37.723 -3.200 27.770 396 HZ PHE 57 HZ PHE 57 38.680 -3.950 29.911 397 HA PRO 58 HA PRO 58 31.869 -10.200 25.123 398 HB2 PRO 58 HB2 PRO 58 32.512 -12.826 25.462 399 HB3 PRO 58 HB3 PRO 58 33.268 -11.816 24.219 400 HG2 PRO 58 HG2 PRO 58 34.333 -12.623 26.917 401 HG3 PRO 58 HG3 PRO 58 35.178 -12.539 25.356 402 HD2 PRO 58 HD2 PRO 58 35.341 -10.577 27.293 403 HD3 PRO 58 HD3 PRO 58 35.571 -10.262 25.559 404 H CYS 59 H CYS 59 30.053 -9.953 26.294 405 HA CYS 59 HA CYS 59 29.650 -10.839 28.996 406 HB2 CYS 59 HB2 CYS 59 28.363 -8.979 27.958 407 HB3 CYS 59 HB3 CYS 59 27.629 -10.115 26.836 408 H LYS 60 H LYS 60 29.615 -12.946 29.526 409 HA LYS 60 HA LYS 60 30.582 -14.752 27.705 410 HB2 LYS 60 HB2 LYS 60 29.326 -15.525 30.362 411 HB3 LYS 60 HB3 LYS 60 30.592 -16.391 29.504 412 HG2 LYS 60 HG2 LYS 60 30.871 -13.640 30.751 413 HG3 LYS 60 HG3 LYS 60 31.448 -15.151 31.451 414 HD2 LYS 60 HD2 LYS 60 33.056 -15.437 29.650 415 HD3 LYS 60 HD3 LYS 60 32.413 -14.034 28.791 416 HE2 LYS 60 HE2 LYS 60 33.163 -12.548 30.571 417 HE3 LYS 60 HE3 LYS 60 33.693 -13.921 31.543 418 HZ1 LYS 60 HZ1 LYS 60 34.828 -13.167 28.904 419 HZ2 LYS 60 HZ2 LYS 60 35.360 -14.422 29.906 420 HZ3 LYS 60 HZ3 LYS 60 35.524 -12.816 30.405 421 H TYR 61 H TYR 61 27.235 -14.718 28.948 422 HA TYR 61 HA TYR 61 26.690 -17.393 27.906 423 HB2 TYR 61 HB2 TYR 61 24.724 -15.507 29.262 424 HB3 TYR 61 HB3 TYR 61 24.547 -17.239 29.041 425 HD1 TYR 61 HD1 TYR 61 26.564 -14.633 30.820 426 HD2 TYR 61 HD2 TYR 61 25.359 -18.741 30.739 427 HE1 TYR 61 HE1 TYR 61 27.552 -14.974 33.037 428 HE2 TYR 61 HE2 TYR 61 26.365 -19.074 32.953 429 HH TYR 61 HH TYR 61 27.270 -16.525 34.962 430 H CYS 62 H CYS 62 26.645 -14.371 26.522 431 HA CYS 62 HA CYS 62 24.657 -15.156 24.480 432 HB2 CYS 62 HB2 CYS 62 23.813 -12.857 24.368 433 HB3 CYS 62 HB3 CYS 62 23.670 -13.422 26.033 434 HA PRO 63 HA PRO 63 28.063 -14.037 21.728 435 HB2 PRO 63 HB2 PRO 63 26.832 -13.618 19.359 436 HB3 PRO 63 HB3 PRO 63 26.803 -15.208 20.133 437 HG2 PRO 63 HG2 PRO 63 24.677 -13.069 20.132 438 HG3 PRO 63 HG3 PRO 63 24.504 -14.814 19.842 439 HD2 PRO 63 HD2 PRO 63 23.991 -13.627 22.280 440 HD3 PRO 63 HD3 PRO 63 24.517 -15.316 22.111 441 H ALA 64 H ALA 64 27.309 -11.845 23.394 442 HA ALA 64 HA ALA 64 27.439 -9.451 21.663 443 HB1 ALA 64 HB1 ALA 64 26.584 -8.189 23.617 444 HB2 ALA 64 HB2 ALA 64 26.547 -9.677 24.567 445 HB3 ALA 64 HB3 ALA 64 25.481 -9.497 23.175 446 H THR 65 H THR 65 29.699 -9.540 21.308 447 HA THR 65 HA THR 65 31.490 -9.301 23.619 448 HB THR 65 HB THR 65 32.198 -9.308 20.652 449 HG1 THR 65 HG1 THR 65 31.862 -11.377 20.866 450 HG21 THR 65 HG21 THR 65 33.955 -9.604 23.130 451 HG22 THR 65 HG22 THR 65 33.926 -8.204 22.053 452 HG23 THR 65 HG23 THR 65 34.500 -9.763 21.461 453 H PHE 66 H PHE 66 31.638 -7.390 24.478 454 HA PHE 66 HA PHE 66 31.290 -4.896 22.987 455 HB2 PHE 66 HB2 PHE 66 31.765 -5.391 25.969 456 HB3 PHE 66 HB3 PHE 66 31.359 -3.837 25.236 457 HD1 PHE 66 HD1 PHE 66 29.098 -3.497 24.200 458 HD2 PHE 66 HD2 PHE 66 30.040 -7.039 26.413 459 HE1 PHE 66 HE1 PHE 66 26.703 -4.029 24.383 460 HE2 PHE 66 HE2 PHE 66 27.645 -7.549 26.599 461 HZ PHE 66 HZ PHE 66 25.978 -6.051 25.581 462 H TYR 67 H TYR 67 32.915 -3.153 23.448 463 HA TYR 67 HA TYR 67 35.695 -4.178 23.697 464 HB2 TYR 67 HB2 TYR 67 34.810 -1.637 22.246 465 HB3 TYR 67 HB3 TYR 67 36.406 -2.392 22.210 466 HD1 TYR 67 HD1 TYR 67 36.541 -4.812 21.179 467 HD2 TYR 67 HD2 TYR 67 33.212 -2.194 20.568 468 HE1 TYR 67 HE1 TYR 67 35.852 -6.129 19.224 469 HE2 TYR 67 HE2 TYR 67 32.540 -3.511 18.607 470 HH TYR 67 HH TYR 67 33.745 -6.552 17.917 471 H SER 68 H SER 68 33.283 -2.507 25.254 472 HA SER 68 HA SER 68 35.199 -1.159 27.045 473 HB2 SER 68 HB2 SER 68 32.468 -0.094 26.199 474 HB3 SER 68 HB3 SER 68 33.529 0.656 27.390 475 HG SER 68 HG SER 68 34.641 0.131 24.898 476 H SER 69 H SER 69 34.902 -1.545 29.176 477 HA SER 69 HA SER 69 33.346 -3.745 30.020 478 HB2 SER 69 HB2 SER 69 34.186 -3.089 32.331 479 HB3 SER 69 HB3 SER 69 35.434 -3.354 31.117 480 HG SER 69 HG SER 69 34.653 -1.024 32.400 481 HA PRO 70 HA PRO 70 30.233 -0.242 31.954 482 HB2 PRO 70 HB2 PRO 70 30.290 1.274 29.323 483 HB3 PRO 70 HB3 PRO 70 29.825 1.847 30.938 484 HG2 PRO 70 HG2 PRO 70 32.232 2.458 29.998 485 HG3 PRO 70 HG3 PRO 70 32.067 1.921 31.689 486 HD2 PRO 70 HD2 PRO 70 33.048 0.373 29.289 487 HD3 PRO 70 HD3 PRO 70 33.647 0.360 30.959 488 H GLY 71 H GLY 71 30.428 -0.958 28.424 489 HA2 GLY 71 HA2 GLY 71 27.713 -1.646 28.029 490 HA3 GLY 71 HA3 GLY 71 29.052 -2.120 26.995 491 H LEU 72 H LEU 72 30.522 -3.594 28.928 492 HA LEU 72 HA LEU 72 29.463 -6.177 28.767 493 HB2 LEU 72 HB2 LEU 72 31.857 -5.733 29.093 494 HB3 LEU 72 HB3 LEU 72 31.548 -5.017 30.663 495 HG LEU 72 HG LEU 72 30.787 -7.274 31.498 496 HD11 LEU 72 HD11 LEU 72 31.799 -8.293 28.831 497 HD12 LEU 72 HD12 LEU 72 30.128 -8.308 29.397 498 HD13 LEU 72 HD13 LEU 72 31.338 -9.293 30.211 499 HD21 LEU 72 HD21 LEU 72 33.031 -8.241 31.723 500 HD22 LEU 72 HD22 LEU 72 33.071 -6.496 31.946 501 HD23 LEU 72 HD23 LEU 72 33.627 -7.199 30.427 502 H THR 73 H THR 73 29.713 -4.071 31.659 503 HA THR 73 HA THR 73 28.296 -5.823 33.395 504 HB THR 73 HB THR 73 29.914 -4.260 34.331 505 HG1 THR 73 HG1 THR 73 27.957 -4.903 35.547 506 HG21 THR 73 HG21 THR 73 28.042 -2.011 33.508 507 HG22 THR 73 HG22 THR 73 29.644 -2.327 32.832 508 HG23 THR 73 HG23 THR 73 29.468 -1.832 34.519 509 H ARG 74 H ARG 74 27.243 -3.103 31.366 510 HA ARG 74 HA ARG 74 24.631 -2.877 32.521 511 HB2 ARG 74 HB2 ARG 74 25.725 -1.883 29.866 512 HB3 ARG 74 HB3 ARG 74 24.053 -1.626 30.360 513 HG2 ARG 74 HG2 ARG 74 24.881 -0.408 32.384 514 HG3 ARG 74 HG3 ARG 74 26.525 -0.582 31.768 515 HD2 ARG 74 HD2 ARG 74 24.250 0.926 30.433 516 HD3 ARG 74 HD3 ARG 74 25.657 1.640 31.223 517 HE ARG 74 HE ARG 74 25.842 -0.040 28.784 518 HH11 ARG 74 HH11 ARG 74 26.884 2.788 30.587 519 HH12 ARG 74 HH12 ARG 74 27.909 3.360 29.310 520 HH21 ARG 74 HH21 ARG 74 27.214 0.715 27.147 521 HH22 ARG 74 HH22 ARG 74 28.116 2.176 27.385 522 H HIS 75 H HIS 75 25.974 -5.033 30.044 523 HA HIS 75 HA HIS 75 23.377 -5.954 29.220 524 HB2 HIS 75 HB2 HIS 75 25.854 -6.462 28.140 525 HB3 HIS 75 HB3 HIS 75 25.611 -7.965 29.024 526 HD2 HIS 75 HD2 HIS 75 23.916 -5.879 26.175 527 HE1 HIS 75 HE1 HIS 75 22.213 -9.727 26.071 528 HE2 HIS 75 HE2 HIS 75 22.187 -7.425 25.074 529 H ILE 76 H ILE 76 25.865 -7.234 31.420 530 HA ILE 76 HA ILE 76 24.627 -9.500 32.396 531 HB ILE 76 HB ILE 76 26.485 -7.637 33.943 532 HG12 ILE 76 HG12 ILE 76 27.220 -10.071 32.234 533 HG13 ILE 76 HG13 ILE 76 27.388 -8.402 31.707 534 HG21 ILE 76 HG21 ILE 76 27.121 -9.636 35.276 535 HG22 ILE 76 HG22 ILE 76 25.923 -10.601 34.412 536 HG23 ILE 76 HG23 ILE 76 25.406 -9.274 35.453 537 HD11 ILE 76 HD11 ILE 76 28.871 -9.704 33.988 538 HD12 ILE 76 HD12 ILE 76 29.025 -8.015 33.495 539 HD13 ILE 76 HD13 ILE 76 29.510 -9.303 32.395 540 H ASN 77 H ASN 77 24.197 -6.158 33.471 541 HA ASN 77 HA ASN 77 22.460 -6.844 35.699 542 HB2 ASN 77 HB2 ASN 77 23.275 -4.158 34.516 543 HB3 ASN 77 HB3 ASN 77 22.240 -4.332 35.926 544 HD21 ASN 77 HD21 ASN 77 24.850 -3.015 35.693 545 HD22 ASN 77 HD22 ASN 77 25.877 -3.781 36.855 546 H LYS 78 H LYS 78 22.047 -5.092 32.571 547 HA LYS 78 HA LYS 78 19.200 -4.742 33.138 548 HB2 LYS 78 HB2 LYS 78 20.571 -2.799 32.440 549 HB3 LYS 78 HB3 LYS 78 20.924 -3.596 30.918 550 HG2 LYS 78 HG2 LYS 78 19.256 -1.897 30.546 551 HG3 LYS 78 HG3 LYS 78 18.521 -3.483 30.312 552 HD2 LYS 78 HD2 LYS 78 17.420 -3.352 32.492 553 HD3 LYS 78 HD3 LYS 78 18.267 -1.847 32.866 554 HE2 LYS 78 HE2 LYS 78 17.084 -0.724 30.996 555 HE3 LYS 78 HE3 LYS 78 16.231 -2.226 30.634 556 HZ1 LYS 78 HZ1 LYS 78 15.187 -2.120 32.798 557 HZ2 LYS 78 HZ2 LYS 78 14.873 -0.705 31.938 558 HZ3 LYS 78 HZ3 LYS 78 16.027 -0.704 33.179 559 H CYS 79 H CYS 79 21.099 -5.883 30.282 560 HA CYS 79 HA CYS 79 18.634 -7.047 29.138 561 HB2 CYS 79 HB2 CYS 79 19.974 -5.479 27.746 562 HB3 CYS 79 HB3 CYS 79 21.321 -6.612 27.794 563 HG CYS 79 HG CYS 79 18.923 -8.443 26.770 564 H HIS 80 H HIS 80 20.754 -8.169 31.206 565 HA HIS 80 HA HIS 80 20.395 -10.964 30.394 566 HB2 HIS 80 HB2 HIS 80 22.842 -9.812 29.840 567 HB3 HIS 80 HB3 HIS 80 23.117 -10.270 31.511 568 HD2 HIS 80 HD2 HIS 80 22.160 -13.230 31.727 569 HE1 HIS 80 HE1 HIS 80 24.104 -13.917 28.054 570 HE2 HIS 80 HE2 HIS 80 22.886 -14.984 29.985 571 HA PRO 81 HA PRO 81 19.992 -9.389 34.953 572 HB2 PRO 81 HB2 PRO 81 17.330 -9.289 35.377 573 HB3 PRO 81 HB3 PRO 81 18.159 -8.004 34.488 574 HG2 PRO 81 HG2 PRO 81 16.616 -10.363 33.396 575 HG3 PRO 81 HG3 PRO 81 16.488 -8.645 32.949 576 HD2 PRO 81 HD2 PRO 81 17.974 -10.433 31.509 577 HD3 PRO 81 HD3 PRO 81 18.407 -8.715 31.630 578 H SER 82 H SER 82 19.048 -10.449 36.902 579 HA SER 82 HA SER 82 18.861 -12.206 38.302 580 HB2 SER 82 HB2 SER 82 16.730 -12.678 37.098 581 HB3 SER 82 HB3 SER 82 17.599 -13.668 35.932 582 HG SER 82 HG SER 82 17.780 -14.271 38.675 583 H GLU 83 H GLU 83 21.140 -11.937 36.202 584 HA GLU 83 HA GLU 83 22.261 -14.559 35.881 585 HB2 GLU 83 HB2 GLU 83 22.668 -12.273 34.528 586 HB3 GLU 83 HB3 GLU 83 23.924 -12.025 35.727 587 HG2 GLU 83 HG2 GLU 83 23.714 -14.259 33.693 588 HG3 GLU 83 HG3 GLU 83 24.902 -12.962 33.732 589 H ASN 84 H ASN 84 22.978 -11.711 37.862 590 HA ASN 84 HA ASN 84 24.748 -13.160 39.662 591 HB2 ASN 84 HB2 ASN 84 23.835 -10.255 39.758 592 HB3 ASN 84 HB3 ASN 84 25.152 -10.968 40.688 593 HD21 ASN 84 HD21 ASN 84 26.205 -12.555 38.439 594 HD22 ASN 84 HD22 ASN 84 26.948 -11.434 37.367 595 H ARG 85 H ARG 85 23.594 -14.529 40.892 596 HA ARG 85 HA ARG 85 20.998 -14.117 41.925 597 HB2 ARG 85 HB2 ARG 85 21.509 -16.170 43.337 598 HB3 ARG 85 HB3 ARG 85 21.719 -16.380 41.605 599 HG2 ARG 85 HG2 ARG 85 24.161 -16.155 41.865 600 HG3 ARG 85 HG3 ARG 85 23.971 -15.950 43.606 601 HD2 ARG 85 HD2 ARG 85 24.642 -18.232 43.136 602 HD3 ARG 85 HD3 ARG 85 22.977 -18.242 43.719 603 HE ARG 85 HE ARG 85 22.763 -18.164 40.973 604 HH11 ARG 85 HH11 ARG 85 24.279 -20.381 43.251 605 HH12 ARG 85 HH12 ARG 85 24.073 -21.760 42.218 606 HH21 ARG 85 HH21 ARG 85 22.533 -20.000 39.638 607 HH22 ARG 85 HH22 ARG 85 23.092 -21.550 40.186
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