NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
536539 | 2lbn | 17571 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 2.852 -16.091 -21.974 2 H2 ALA 1 H2 ALA 1 1.826 -15.574 -23.250 3 H3 ALA 1 H3 ALA 1 1.775 -17.203 -22.713 4 HA ALA 1 HA ALA 1 0.861 -14.764 -21.362 5 HB1 ALA 1 HB1 ALA 1 -1.250 -15.872 -21.242 6 HB2 ALA 1 HB2 ALA 1 -0.567 -17.366 -21.883 7 HB3 ALA 1 HB3 ALA 1 -0.685 -15.934 -22.911 8 H VAL 2 H VAL 2 -0.650 -17.231 -19.869 9 HA VAL 2 HA VAL 2 -0.559 -17.892 -17.655 10 HB VAL 2 HB VAL 2 2.180 -18.767 -17.563 11 HG11 VAL 2 HG11 VAL 2 1.270 -20.828 -16.992 12 HG12 VAL 2 HG12 VAL 2 -0.193 -20.558 -17.939 13 HG13 VAL 2 HG13 VAL 2 0.059 -19.672 -16.435 14 HG21 VAL 2 HG21 VAL 2 2.053 -18.624 -20.036 15 HG22 VAL 2 HG22 VAL 2 0.712 -19.770 -19.997 16 HG23 VAL 2 HG23 VAL 2 2.310 -20.258 -19.432 17 H LEU 3 H LEU 3 1.749 -17.968 -15.850 18 HA LEU 3 HA LEU 3 1.925 -15.155 -15.295 19 HB2 LEU 3 HB2 LEU 3 2.030 -17.446 -13.691 20 HB3 LEU 3 HB3 LEU 3 3.661 -16.826 -13.697 21 HG LEU 3 HG LEU 3 2.950 -15.690 -11.887 22 HD11 LEU 3 HD11 LEU 3 2.463 -13.489 -12.312 23 HD12 LEU 3 HD12 LEU 3 1.429 -13.882 -13.702 24 HD13 LEU 3 HD13 LEU 3 3.177 -14.041 -13.853 25 HD21 LEU 3 HD21 LEU 3 0.126 -15.559 -12.868 26 HD22 LEU 3 HD22 LEU 3 0.733 -15.390 -11.219 27 HD23 LEU 3 HD23 LEU 3 0.786 -16.960 -12.022 28 H ASP 4 H ASP 4 3.300 -16.138 -17.745 29 HA ASP 4 HA ASP 4 5.194 -15.550 -18.792 30 HB2 ASP 4 HB2 ASP 4 5.527 -13.943 -16.848 31 HB3 ASP 4 HB3 ASP 4 6.519 -15.203 -16.142 32 H LEU 5 H LEU 5 5.502 -17.359 -15.821 33 HA LEU 5 HA LEU 5 6.255 -19.718 -17.125 34 HB2 LEU 5 HB2 LEU 5 8.434 -20.045 -16.170 35 HB3 LEU 5 HB3 LEU 5 8.388 -18.527 -17.022 36 HG LEU 5 HG LEU 5 9.686 -18.283 -15.039 37 HD11 LEU 5 HD11 LEU 5 8.938 -16.253 -14.545 38 HD12 LEU 5 HD12 LEU 5 7.296 -16.814 -14.224 39 HD13 LEU 5 HD13 LEU 5 7.841 -16.574 -15.885 40 HD21 LEU 5 HD21 LEU 5 7.978 -20.061 -13.890 41 HD22 LEU 5 HD22 LEU 5 7.517 -18.534 -13.132 42 HD23 LEU 5 HD23 LEU 5 9.188 -19.095 -13.040 43 H ASP 6 H ASP 6 5.470 -17.941 -14.284 44 HA ASP 6 HA ASP 6 3.738 -19.703 -13.221 45 HB2 ASP 6 HB2 ASP 6 5.685 -21.228 -13.022 46 HB3 ASP 6 HB3 ASP 6 6.382 -20.149 -11.839 47 H VAL 7 H VAL 7 6.071 -17.026 -12.456 48 HA VAL 7 HA VAL 7 4.172 -16.126 -10.494 49 HB VAL 7 HB VAL 7 5.779 -16.032 -8.714 50 HG11 VAL 7 HG11 VAL 7 6.037 -18.397 -8.248 51 HG12 VAL 7 HG12 VAL 7 5.859 -18.772 -9.967 52 HG13 VAL 7 HG13 VAL 7 4.487 -18.136 -9.057 53 HG21 VAL 7 HG21 VAL 7 7.943 -15.849 -9.288 54 HG22 VAL 7 HG22 VAL 7 7.620 -16.500 -10.897 55 HG23 VAL 7 HG23 VAL 7 7.922 -17.598 -9.548 56 H ARG 8 H ARG 8 5.944 -15.115 -13.061 57 HA ARG 8 HA ARG 8 6.710 -12.618 -11.754 58 HB2 ARG 8 HB2 ARG 8 8.018 -14.267 -13.812 59 HB3 ARG 8 HB3 ARG 8 8.108 -12.540 -14.062 60 HG2 ARG 8 HG2 ARG 8 9.263 -12.193 -12.061 61 HG3 ARG 8 HG3 ARG 8 8.795 -13.784 -11.444 62 HD2 ARG 8 HD2 ARG 8 10.151 -14.423 -13.733 63 HD3 ARG 8 HD3 ARG 8 11.011 -13.012 -13.174 64 HE ARG 8 HE ARG 8 11.895 -14.280 -11.490 65 HH11 ARG 8 HH11 ARG 8 9.015 -15.877 -12.681 66 HH12 ARG 8 HH12 ARG 8 9.247 -17.280 -11.693 67 HH21 ARG 8 HH21 ARG 8 12.172 -16.123 -10.187 68 HH22 ARG 8 HH22 ARG 8 11.061 -17.445 -10.334 69 H THR 9 H THR 9 6.531 -10.626 -12.984 70 HA THR 9 HA THR 9 4.223 -10.663 -14.772 71 HB THR 9 HB THR 9 3.793 -8.395 -13.919 72 HG1 THR 9 HG1 THR 9 5.980 -8.915 -12.210 73 HG21 THR 9 HG21 THR 9 4.245 -10.250 -11.620 74 HG22 THR 9 HG22 THR 9 2.902 -10.420 -12.751 75 HG23 THR 9 HG23 THR 9 3.039 -8.969 -11.757 76 H CYS 10 H CYS 10 5.503 -10.974 -16.662 77 HA CYS 10 HA CYS 10 6.848 -10.389 -18.415 78 HB2 CYS 10 HB2 CYS 10 4.729 -8.784 -18.329 79 HB3 CYS 10 HB3 CYS 10 5.974 -7.558 -18.120 80 H LEU 11 H LEU 11 7.808 -7.500 -18.734 81 HA LEU 11 HA LEU 11 10.219 -7.885 -17.134 82 HB2 LEU 11 HB2 LEU 11 9.699 -7.000 -19.833 83 HB3 LEU 11 HB3 LEU 11 10.647 -5.810 -18.966 84 HG LEU 11 HG LEU 11 12.432 -7.321 -18.611 85 HD11 LEU 11 HD11 LEU 11 12.301 -9.559 -18.475 86 HD12 LEU 11 HD12 LEU 11 11.286 -9.688 -19.910 87 HD13 LEU 11 HD13 LEU 11 10.562 -9.294 -18.353 88 HD21 LEU 11 HD21 LEU 11 11.656 -6.584 -21.104 89 HD22 LEU 11 HD22 LEU 11 11.808 -8.331 -21.291 90 HD23 LEU 11 HD23 LEU 11 13.182 -7.384 -20.723 91 HA PRO 12 HA PRO 12 8.957 -4.741 -14.295 92 HB2 PRO 12 HB2 PRO 12 11.921 -4.331 -14.182 93 HB3 PRO 12 HB3 PRO 12 10.757 -4.505 -12.864 94 HG2 PRO 12 HG2 PRO 12 12.319 -6.538 -13.534 95 HG3 PRO 12 HG3 PRO 12 10.623 -6.798 -13.101 96 HD2 PRO 12 HD2 PRO 12 11.928 -6.821 -15.786 97 HD3 PRO 12 HD3 PRO 12 10.582 -7.809 -15.181 98 H CYS 13 H CYS 13 9.340 -2.365 -13.924 99 HA CYS 13 HA CYS 13 10.446 -0.921 -16.181 100 HB2 CYS 13 HB2 CYS 13 8.019 -1.420 -16.674 101 HB3 CYS 13 HB3 CYS 13 7.625 -0.388 -15.303 102 H GLY 14 H GLY 14 10.158 1.516 -15.792 103 HA2 GLY 14 HA2 GLY 14 10.532 3.385 -14.471 104 HA3 GLY 14 HA3 GLY 14 9.912 2.445 -13.137 105 HA PRO 15 HA PRO 15 14.313 3.077 -12.126 106 HB2 PRO 15 HB2 PRO 15 13.976 3.372 -9.476 107 HB3 PRO 15 HB3 PRO 15 13.633 4.692 -10.612 108 HG2 PRO 15 HG2 PRO 15 11.725 2.818 -9.292 109 HG3 PRO 15 HG3 PRO 15 11.598 4.571 -9.523 110 HD2 PRO 15 HD2 PRO 15 10.356 2.749 -11.129 111 HD3 PRO 15 HD3 PRO 15 10.847 4.356 -11.696 112 H GLY 16 H GLY 16 14.735 0.885 -12.711 113 HA2 GLY 16 HA2 GLY 16 15.792 -1.068 -11.924 114 HA3 GLY 16 HA3 GLY 16 14.969 -0.867 -10.384 115 H GLY 17 H GLY 17 12.582 -1.246 -10.409 116 HA2 GLY 17 HA2 GLY 17 11.439 -2.725 -12.571 117 HA3 GLY 17 HA3 GLY 17 11.950 -3.794 -11.285 118 H LYS 18 H LYS 18 10.632 -0.540 -10.922 119 HA LYS 18 HA LYS 18 8.822 -1.330 -8.924 120 HB2 LYS 18 HB2 LYS 18 9.523 1.136 -10.335 121 HB3 LYS 18 HB3 LYS 18 7.863 1.069 -9.755 122 HG2 LYS 18 HG2 LYS 18 9.641 2.104 -8.246 123 HG3 LYS 18 HG3 LYS 18 8.491 0.973 -7.549 124 HD2 LYS 18 HD2 LYS 18 10.134 -0.800 -7.647 125 HD3 LYS 18 HD3 LYS 18 11.267 0.248 -8.483 126 HE2 LYS 18 HE2 LYS 18 12.089 0.505 -6.380 127 HE3 LYS 18 HE3 LYS 18 10.840 1.749 -6.318 128 HZ1 LYS 18 HZ1 LYS 18 10.448 -1.046 -5.396 129 HZ2 LYS 18 HZ2 LYS 18 9.377 0.249 -5.202 130 HZ3 LYS 18 HZ3 LYS 18 10.853 0.242 -4.375 131 H GLY 19 H GLY 19 8.481 -0.955 -12.430 132 HA2 GLY 19 HA2 GLY 19 5.765 -1.955 -12.174 133 HA3 GLY 19 HA3 GLY 19 6.118 -0.607 -13.234 134 H ARG 20 H ARG 20 5.695 -1.500 -15.142 135 HA ARG 20 HA ARG 20 7.573 -3.218 -16.385 136 HB2 ARG 20 HB2 ARG 20 6.321 -5.216 -16.708 137 HB3 ARG 20 HB3 ARG 20 6.272 -4.863 -14.986 138 HG2 ARG 20 HG2 ARG 20 4.053 -4.533 -14.977 139 HG3 ARG 20 HG3 ARG 20 4.058 -3.739 -16.549 140 HD2 ARG 20 HD2 ARG 20 3.205 -5.619 -17.400 141 HD3 ARG 20 HD3 ARG 20 4.754 -6.399 -17.049 142 HE ARG 20 HE ARG 20 3.818 -7.378 -15.181 143 HH11 ARG 20 HH11 ARG 20 1.521 -5.261 -16.719 144 HH12 ARG 20 HH12 ARG 20 0.237 -5.653 -15.628 145 HH21 ARG 20 HH21 ARG 20 2.129 -7.897 -13.741 146 HH22 ARG 20 HH22 ARG 20 0.577 -7.164 -13.952 147 H CYS 21 H CYS 21 6.496 -4.094 -18.573 148 HA CYS 21 HA CYS 21 5.114 -1.769 -19.730 149 HB2 CYS 21 HB2 CYS 21 7.164 -3.605 -20.717 150 HB3 CYS 21 HB3 CYS 21 5.866 -3.322 -21.863 151 H PHE 22 H PHE 22 3.069 -1.964 -20.661 152 HA PHE 22 HA PHE 22 1.869 -4.598 -20.384 153 HB2 PHE 22 HB2 PHE 22 0.761 -1.796 -20.549 154 HB3 PHE 22 HB3 PHE 22 -0.262 -3.209 -20.718 155 HD1 PHE 22 HD1 PHE 22 2.633 -2.610 -18.439 156 HD2 PHE 22 HD2 PHE 22 -1.571 -3.265 -18.820 157 HE1 PHE 22 HE1 PHE 22 2.424 -2.747 -15.992 158 HE2 PHE 22 HE2 PHE 22 -1.775 -3.404 -16.374 159 HZ PHE 22 HZ PHE 22 0.223 -3.147 -14.959 160 H GLY 23 H GLY 23 3.075 -2.552 -22.870 161 HA2 GLY 23 HA2 GLY 23 2.644 -4.305 -24.907 162 HA3 GLY 23 HA3 GLY 23 1.167 -3.365 -24.872 163 HA PRO 24 HA PRO 24 3.352 -0.548 -27.489 164 HB2 PRO 24 HB2 PRO 24 1.491 1.343 -27.745 165 HB3 PRO 24 HB3 PRO 24 1.230 -0.293 -28.359 166 HG2 PRO 24 HG2 PRO 24 0.127 1.018 -25.928 167 HG3 PRO 24 HG3 PRO 24 -0.613 -0.189 -26.991 168 HD2 PRO 24 HD2 PRO 24 0.638 -0.658 -24.499 169 HD3 PRO 24 HD3 PRO 24 0.149 -1.884 -25.687 170 H SER 25 H SER 25 5.121 0.284 -26.394 171 HA SER 25 HA SER 25 6.361 1.697 -25.067 172 HB2 SER 25 HB2 SER 25 5.499 2.960 -27.233 173 HB3 SER 25 HB3 SER 25 4.636 3.947 -26.033 174 HG SER 25 HG SER 25 6.779 4.714 -26.595 175 H ILE 26 H ILE 26 3.943 0.652 -23.742 176 HA ILE 26 HA ILE 26 3.335 2.888 -21.934 177 HB ILE 26 HB ILE 26 1.478 1.563 -23.170 178 HG12 ILE 26 HG12 ILE 26 1.196 1.806 -20.174 179 HG13 ILE 26 HG13 ILE 26 1.248 3.215 -21.254 180 HG21 ILE 26 HG21 ILE 26 0.724 -0.463 -22.186 181 HG22 ILE 26 HG22 ILE 26 1.881 -0.304 -20.852 182 HG23 ILE 26 HG23 ILE 26 2.452 -0.651 -22.488 183 HD11 ILE 26 HD11 ILE 26 -1.001 1.848 -20.483 184 HD12 ILE 26 HD12 ILE 26 -0.672 1.177 -22.094 185 HD13 ILE 26 HD13 ILE 26 -0.879 2.924 -21.874 186 H CYS 27 H CYS 27 3.012 2.248 -19.622 187 HA CYS 27 HA CYS 27 4.361 -0.109 -18.708 188 HB2 CYS 27 HB2 CYS 27 5.766 2.409 -18.911 189 HB3 CYS 27 HB3 CYS 27 5.704 1.854 -17.252 190 H CYS 28 H CYS 28 4.210 -0.373 -16.381 191 HA CYS 28 HA CYS 28 2.561 1.481 -14.911 192 HB2 CYS 28 HB2 CYS 28 1.253 -0.434 -16.363 193 HB3 CYS 28 HB3 CYS 28 1.407 -1.206 -14.789 194 H GLY 29 H GLY 29 3.078 1.467 -12.774 195 HA2 GLY 29 HA2 GLY 29 4.329 -0.934 -11.705 196 HA3 GLY 29 HA3 GLY 29 5.089 0.613 -11.496 197 H ASP 30 H ASP 30 4.190 -1.173 -9.420 198 HA ASP 30 HA ASP 30 1.747 -0.583 -8.287 199 HB2 ASP 30 HB2 ASP 30 4.229 -1.771 -7.428 200 HB3 ASP 30 HB3 ASP 30 3.577 -0.764 -6.142 201 H GLU 31 H GLU 31 4.640 0.772 -6.762 202 HA GLU 31 HA GLU 31 3.193 3.102 -5.934 203 HB2 GLU 31 HB2 GLU 31 5.279 3.745 -4.822 204 HB3 GLU 31 HB3 GLU 31 4.852 2.080 -4.455 205 HG2 GLU 31 HG2 GLU 31 6.789 1.349 -5.232 206 HG3 GLU 31 HG3 GLU 31 6.535 2.161 -6.790 207 H LEU 32 H LEU 32 4.566 2.249 -8.780 208 HA LEU 32 HA LEU 32 5.779 4.743 -9.490 209 HB2 LEU 32 HB2 LEU 32 5.807 2.063 -10.388 210 HB3 LEU 32 HB3 LEU 32 5.322 3.053 -11.684 211 HG LEU 32 HG LEU 32 7.914 3.014 -10.275 212 HD11 LEU 32 HD11 LEU 32 8.241 3.393 -12.998 213 HD12 LEU 32 HD12 LEU 32 6.862 2.279 -12.851 214 HD13 LEU 32 HD13 LEU 32 8.407 1.875 -12.100 215 HD21 LEU 32 HD21 LEU 32 6.586 5.402 -11.138 216 HD22 LEU 32 HD22 LEU 32 8.017 5.115 -12.129 217 HD23 LEU 32 HD23 LEU 32 8.171 5.217 -10.377 218 H GLY 33 H GLY 33 2.826 2.997 -10.158 219 HA2 GLY 33 HA2 GLY 33 0.757 4.047 -10.724 220 HA3 GLY 33 HA3 GLY 33 1.663 5.411 -11.307 221 H CYS 34 H CYS 34 0.698 5.432 -13.373 222 HA CYS 34 HA CYS 34 1.660 3.245 -15.072 223 HB2 CYS 34 HB2 CYS 34 -1.001 3.525 -14.440 224 HB3 CYS 34 HB3 CYS 34 -0.881 4.344 -15.996 225 H PHE 35 H PHE 35 2.606 3.824 -16.855 226 HA PHE 35 HA PHE 35 2.344 6.621 -17.770 227 HB2 PHE 35 HB2 PHE 35 4.906 5.062 -18.014 228 HB3 PHE 35 HB3 PHE 35 4.664 6.800 -18.130 229 HD1 PHE 35 HD1 PHE 35 4.454 3.976 -15.718 230 HD2 PHE 35 HD2 PHE 35 5.060 8.161 -16.305 231 HE1 PHE 35 HE1 PHE 35 5.053 4.215 -13.342 232 HE2 PHE 35 HE2 PHE 35 5.653 8.396 -13.922 233 HZ PHE 35 HZ PHE 35 5.675 6.408 -12.443 234 H VAL 36 H VAL 36 2.344 6.993 -19.960 235 HA VAL 36 HA VAL 36 2.477 4.645 -21.725 236 HB VAL 36 HB VAL 36 0.507 6.857 -22.233 237 HG11 VAL 36 HG11 VAL 36 0.406 5.691 -24.144 238 HG12 VAL 36 HG12 VAL 36 -0.500 4.501 -23.209 239 HG13 VAL 36 HG13 VAL 36 1.244 4.301 -23.452 240 HG21 VAL 36 HG21 VAL 36 0.320 4.690 -20.252 241 HG22 VAL 36 HG22 VAL 36 -1.069 4.852 -21.328 242 HG23 VAL 36 HG23 VAL 36 -0.549 6.222 -20.347 243 H GLY 37 H GLY 37 4.357 5.048 -22.711 244 HA2 GLY 37 HA2 GLY 37 5.767 6.019 -24.278 245 HA3 GLY 37 HA3 GLY 37 4.492 7.178 -24.631 246 H THR 38 H THR 38 5.547 6.785 -21.369 247 HA THR 38 HA THR 38 6.744 9.462 -21.448 248 HB THR 38 HB THR 38 6.048 8.013 -18.916 249 HG1 THR 38 HG1 THR 38 4.052 7.943 -19.520 250 HG21 THR 38 HG21 THR 38 6.380 9.959 -17.953 251 HG22 THR 38 HG22 THR 38 5.200 10.726 -19.022 252 HG23 THR 38 HG23 THR 38 6.888 10.623 -19.518 253 H ALA 39 H ALA 39 8.535 9.806 -19.801 254 HA ALA 39 HA ALA 39 10.785 8.362 -20.462 255 HB1 ALA 39 HB1 ALA 39 10.202 10.544 -18.828 256 HB2 ALA 39 HB2 ALA 39 11.798 9.938 -19.269 257 HB3 ALA 39 HB3 ALA 39 11.027 9.391 -17.780 258 H GLU 40 H GLU 40 8.607 7.863 -17.713 259 HA GLU 40 HA GLU 40 10.171 5.647 -16.743 260 HB2 GLU 40 HB2 GLU 40 7.935 7.243 -15.785 261 HB3 GLU 40 HB3 GLU 40 7.715 5.530 -15.464 262 HG2 GLU 40 HG2 GLU 40 8.811 6.204 -13.574 263 HG3 GLU 40 HG3 GLU 40 10.154 5.658 -14.577 264 H ALA 41 H ALA 41 8.436 5.833 -19.412 265 HA ALA 41 HA ALA 41 7.378 3.103 -19.153 266 HB1 ALA 41 HB1 ALA 41 5.411 3.923 -19.777 267 HB2 ALA 41 HB2 ALA 41 6.124 4.355 -21.328 268 HB3 ALA 41 HB3 ALA 41 6.115 5.520 -20.010 269 H LEU 42 H LEU 42 9.881 4.820 -20.531 270 HA LEU 42 HA LEU 42 9.880 3.879 -23.171 271 HB2 LEU 42 HB2 LEU 42 12.294 4.452 -23.108 272 HB3 LEU 42 HB3 LEU 42 11.225 5.755 -22.646 273 HG LEU 42 HG LEU 42 12.141 5.947 -20.602 274 HD11 LEU 42 HD11 LEU 42 12.707 4.168 -19.102 275 HD12 LEU 42 HD12 LEU 42 12.622 2.980 -20.401 276 HD13 LEU 42 HD13 LEU 42 11.149 3.788 -19.849 277 HD21 LEU 42 HD21 LEU 42 14.042 5.260 -22.451 278 HD22 LEU 42 HD22 LEU 42 14.426 4.210 -21.087 279 HD23 LEU 42 HD23 LEU 42 14.351 5.958 -20.861 280 H ARG 43 H ARG 43 10.211 2.145 -20.334 281 HA ARG 43 HA ARG 43 12.301 0.401 -20.846 282 HB2 ARG 43 HB2 ARG 43 10.176 0.580 -18.987 283 HB3 ARG 43 HB3 ARG 43 10.174 -1.053 -19.628 284 HG2 ARG 43 HG2 ARG 43 11.543 -0.853 -17.612 285 HG3 ARG 43 HG3 ARG 43 12.495 -1.337 -19.014 286 HD2 ARG 43 HD2 ARG 43 13.713 0.545 -18.992 287 HD3 ARG 43 HD3 ARG 43 12.328 1.558 -18.596 288 HE ARG 43 HE ARG 43 12.632 0.675 -16.258 289 HH11 ARG 43 HH11 ARG 43 15.325 0.935 -18.477 290 HH12 ARG 43 HH12 ARG 43 16.497 1.103 -17.216 291 HH21 ARG 43 HH21 ARG 43 14.181 0.896 -14.616 292 HH22 ARG 43 HH22 ARG 43 15.852 1.083 -15.031 293 H CYS 44 H CYS 44 9.221 0.586 -22.421 294 HA CYS 44 HA CYS 44 8.985 -2.053 -23.265 295 HB2 CYS 44 HB2 CYS 44 7.960 0.541 -24.307 296 HB3 CYS 44 HB3 CYS 44 7.770 -0.900 -25.296 297 H GLN 45 H GLN 45 11.397 0.145 -24.013 298 HA GLN 45 HA GLN 45 11.954 -0.651 -26.663 299 HB2 GLN 45 HB2 GLN 45 13.151 1.080 -24.667 300 HB3 GLN 45 HB3 GLN 45 14.367 0.201 -25.573 301 HG2 GLN 45 HG2 GLN 45 13.979 1.329 -27.470 302 HG3 GLN 45 HG3 GLN 45 12.240 1.375 -27.213 303 HE21 GLN 45 HE21 GLN 45 12.773 2.610 -24.472 304 HE22 GLN 45 HE22 GLN 45 13.099 4.264 -24.829 305 H GLU 46 H GLU 46 12.695 -1.930 -23.527 306 HA GLU 46 HA GLU 46 14.781 -3.695 -24.450 307 HB2 GLU 46 HB2 GLU 46 14.426 -4.885 -22.235 308 HB3 GLU 46 HB3 GLU 46 14.924 -3.207 -22.146 309 HG2 GLU 46 HG2 GLU 46 12.987 -2.513 -21.239 310 HG3 GLU 46 HG3 GLU 46 12.029 -3.757 -22.042 311 H GLU 47 H GLU 47 11.360 -3.705 -24.424 312 HA GLU 47 HA GLU 47 11.013 -6.550 -24.647 313 HB2 GLU 47 HB2 GLU 47 9.352 -4.357 -24.231 314 HB3 GLU 47 HB3 GLU 47 8.906 -4.919 -25.835 315 HG2 GLU 47 HG2 GLU 47 8.811 -7.252 -24.682 316 HG3 GLU 47 HG3 GLU 47 8.667 -6.297 -23.207 317 H ASN 48 H ASN 48 12.232 -4.186 -26.660 318 HA ASN 48 HA ASN 48 11.302 -5.121 -29.189 319 HB2 ASN 48 HB2 ASN 48 12.410 -2.806 -28.328 320 HB3 ASN 48 HB3 ASN 48 13.823 -3.580 -29.038 321 HD21 ASN 48 HD21 ASN 48 12.359 -1.216 -29.871 322 HD22 ASN 48 HD22 ASN 48 11.858 -1.512 -31.497 323 H TYR 49 H TYR 49 13.855 -5.952 -27.024 324 HA TYR 49 HA TYR 49 15.571 -7.167 -28.968 325 HB2 TYR 49 HB2 TYR 49 15.478 -7.349 -25.952 326 HB3 TYR 49 HB3 TYR 49 16.719 -8.108 -26.945 327 HD1 TYR 49 HD1 TYR 49 16.184 -5.326 -28.774 328 HD2 TYR 49 HD2 TYR 49 17.659 -6.384 -24.920 329 HE1 TYR 49 HE1 TYR 49 17.496 -3.252 -28.713 330 HE2 TYR 49 HE2 TYR 49 18.974 -4.311 -24.851 331 HH TYR 49 HH TYR 49 18.463 -1.748 -26.861 332 H LEU 50 H LEU 50 13.893 -8.648 -26.204 333 HA LEU 50 HA LEU 50 13.760 -11.126 -27.750 334 HB2 LEU 50 HB2 LEU 50 13.861 -10.482 -24.845 335 HB3 LEU 50 HB3 LEU 50 13.109 -11.984 -25.349 336 HG LEU 50 HG LEU 50 15.483 -12.017 -26.740 337 HD11 LEU 50 HD11 LEU 50 15.970 -9.987 -25.106 338 HD12 LEU 50 HD12 LEU 50 17.213 -11.162 -25.538 339 HD13 LEU 50 HD13 LEU 50 16.360 -11.304 -24.000 340 HD21 LEU 50 HD21 LEU 50 15.736 -13.259 -24.137 341 HD22 LEU 50 HD22 LEU 50 15.610 -13.997 -25.734 342 HD23 LEU 50 HD23 LEU 50 14.151 -13.550 -24.851 343 HA PRO 51 HA PRO 51 9.313 -10.365 -28.142 344 HB2 PRO 51 HB2 PRO 51 9.387 -13.006 -29.437 345 HB3 PRO 51 HB3 PRO 51 8.803 -11.467 -30.078 346 HG2 PRO 51 HG2 PRO 51 11.079 -12.587 -30.962 347 HG3 PRO 51 HG3 PRO 51 10.873 -10.826 -30.799 348 HD2 PRO 51 HD2 PRO 51 12.314 -12.729 -28.994 349 HD3 PRO 51 HD3 PRO 51 12.798 -11.106 -29.531 350 H SER 52 H SER 52 9.162 -10.682 -25.838 351 HA SER 52 HA SER 52 8.922 -13.498 -25.058 352 HB2 SER 52 HB2 SER 52 9.514 -11.172 -23.225 353 HB3 SER 52 HB3 SER 52 9.615 -12.889 -22.843 354 HG SER 52 HG SER 52 11.247 -12.970 -24.557 355 HA PRO 53 HA PRO 53 4.674 -12.709 -24.039 356 HB2 PRO 53 HB2 PRO 53 4.172 -15.079 -22.858 357 HB3 PRO 53 HB3 PRO 53 4.363 -14.956 -24.610 358 HG2 PRO 53 HG2 PRO 53 6.317 -15.884 -22.549 359 HG3 PRO 53 HG3 PRO 53 5.992 -16.539 -24.164 360 HD2 PRO 53 HD2 PRO 53 8.105 -14.888 -23.573 361 HD3 PRO 53 HD3 PRO 53 7.378 -15.034 -25.184 362 H CYS 54 H CYS 54 3.458 -13.243 -21.726 363 HA CYS 54 HA CYS 54 4.734 -13.432 -19.349 364 HB2 CYS 54 HB2 CYS 54 5.040 -10.965 -18.753 365 HB3 CYS 54 HB3 CYS 54 6.260 -11.704 -19.787 366 H GLN 55 H GLN 55 3.047 -13.726 -18.062 367 HA GLN 55 HA GLN 55 0.772 -13.678 -17.566 368 HB2 GLN 55 HB2 GLN 55 0.836 -12.462 -15.691 369 HB3 GLN 55 HB3 GLN 55 2.487 -12.144 -16.165 370 HG2 GLN 55 HG2 GLN 55 2.117 -9.984 -16.193 371 HG3 GLN 55 HG3 GLN 55 0.751 -10.152 -17.293 372 HE21 GLN 55 HE21 GLN 55 -1.028 -11.583 -15.823 373 HE22 GLN 55 HE22 GLN 55 -1.508 -10.694 -14.425 374 H SER 56 H SER 56 -0.829 -11.077 -17.418 375 HA SER 56 HA SER 56 -0.951 -10.059 -20.037 376 HB2 SER 56 HB2 SER 56 -2.390 -11.411 -21.154 377 HB3 SER 56 HB3 SER 56 -1.827 -12.621 -20.004 378 HG SER 56 HG SER 56 -4.154 -12.420 -20.207 379 H GLY 57 H GLY 57 -3.726 -9.620 -20.277 380 HA2 GLY 57 HA2 GLY 57 -4.242 -7.290 -19.110 381 HA3 GLY 57 HA3 GLY 57 -5.522 -8.481 -19.296 382 H GLN 58 H GLN 58 -5.112 -6.417 -17.230 383 HA GLN 58 HA GLN 58 -4.867 -8.152 -14.862 384 HB2 GLN 58 HB2 GLN 58 -3.688 -5.628 -15.458 385 HB3 GLN 58 HB3 GLN 58 -4.829 -5.432 -14.131 386 HG2 GLN 58 HG2 GLN 58 -2.681 -7.538 -14.173 387 HG3 GLN 58 HG3 GLN 58 -2.454 -5.938 -13.479 388 HE21 GLN 58 HE21 GLN 58 -2.267 -8.392 -12.052 389 HE22 GLN 58 HE22 GLN 58 -3.512 -8.391 -10.854 390 H LYS 59 H LYS 59 -6.985 -8.844 -14.866 391 HA LYS 59 HA LYS 59 -9.274 -8.689 -14.827 392 HB2 LYS 59 HB2 LYS 59 -9.889 -8.454 -12.643 393 HB3 LYS 59 HB3 LYS 59 -8.149 -8.471 -12.438 394 HG2 LYS 59 HG2 LYS 59 -8.788 -5.786 -12.805 395 HG3 LYS 59 HG3 LYS 59 -10.064 -6.425 -11.776 396 HD2 LYS 59 HD2 LYS 59 -7.131 -6.854 -11.229 397 HD3 LYS 59 HD3 LYS 59 -8.041 -5.493 -10.616 398 HE2 LYS 59 HE2 LYS 59 -8.991 -8.283 -10.147 399 HE3 LYS 59 HE3 LYS 59 -7.758 -7.561 -9.113 400 HZ1 LYS 59 HZ1 LYS 59 -10.130 -7.328 -8.349 401 HZ2 LYS 59 HZ2 LYS 59 -10.359 -6.247 -9.629 402 HZ3 LYS 59 HZ3 LYS 59 -9.234 -5.894 -8.416 403 HA PRO 60 HA PRO 60 -9.768 -4.845 -17.266 404 HB2 PRO 60 HB2 PRO 60 -12.229 -6.418 -17.935 405 HB3 PRO 60 HB3 PRO 60 -11.164 -5.496 -19.002 406 HG2 PRO 60 HG2 PRO 60 -11.015 -8.145 -18.918 407 HG3 PRO 60 HG3 PRO 60 -9.549 -7.157 -19.042 408 HD2 PRO 60 HD2 PRO 60 -10.652 -8.620 -16.691 409 HD3 PRO 60 HD3 PRO 60 -8.954 -8.313 -17.139 410 H CYS 61 H CYS 61 -11.125 -3.237 -17.132 411 HA CYS 61 HA CYS 61 -13.355 -3.294 -15.198 412 HB2 CYS 61 HB2 CYS 61 -12.533 -0.810 -14.619 413 HB3 CYS 61 HB3 CYS 61 -11.981 -2.223 -13.733 414 H GLY 62 H GLY 62 -14.917 -1.309 -15.404 415 HA2 GLY 62 HA2 GLY 62 -15.284 -0.861 -18.200 416 HA3 GLY 62 HA3 GLY 62 -16.399 -0.523 -16.893 417 H SER 63 H SER 63 -13.132 0.596 -16.530 418 HA SER 63 HA SER 63 -14.101 3.296 -16.931 419 HB2 SER 63 HB2 SER 63 -13.279 2.994 -14.711 420 HB3 SER 63 HB3 SER 63 -11.820 2.215 -15.289 421 HG SER 63 HG SER 63 -12.440 4.908 -15.134 422 H GLY 64 H GLY 64 -12.976 1.325 -18.980 423 HA2 GLY 64 HA2 GLY 64 -12.127 2.125 -21.072 424 HA3 GLY 64 HA3 GLY 64 -11.170 3.282 -20.181 425 H GLY 65 H GLY 65 -11.002 0.194 -18.824 426 HA2 GLY 65 HA2 GLY 65 -9.188 -1.187 -20.464 427 HA3 GLY 65 HA3 GLY 65 -8.246 -0.039 -19.568 428 H ARG 66 H ARG 66 -7.070 -1.627 -18.565 429 HA ARG 66 HA ARG 66 -8.462 -3.354 -16.667 430 HB2 ARG 66 HB2 ARG 66 -5.538 -3.561 -17.281 431 HB3 ARG 66 HB3 ARG 66 -6.645 -4.823 -16.776 432 HG2 ARG 66 HG2 ARG 66 -6.793 -3.484 -19.462 433 HG3 ARG 66 HG3 ARG 66 -5.874 -4.958 -19.153 434 HD2 ARG 66 HD2 ARG 66 -8.128 -5.798 -18.140 435 HD3 ARG 66 HD3 ARG 66 -8.828 -4.523 -19.130 436 HE ARG 66 HE ARG 66 -7.478 -6.933 -20.083 437 HH11 ARG 66 HH11 ARG 66 -9.061 -3.914 -20.837 438 HH12 ARG 66 HH12 ARG 66 -9.353 -4.339 -22.488 439 HH21 ARG 66 HH21 ARG 66 -7.859 -7.488 -22.254 440 HH22 ARG 66 HH22 ARG 66 -8.671 -6.366 -23.294 441 H CYS 67 H CYS 67 -7.297 -3.783 -14.524 442 HA CYS 67 HA CYS 67 -6.923 -1.296 -13.154 443 HB2 CYS 67 HB2 CYS 67 -7.884 -3.526 -12.249 444 HB3 CYS 67 HB3 CYS 67 -6.210 -4.008 -12.102 445 H ALA 68 H ALA 68 -5.240 -0.782 -14.784 446 HA ALA 68 HA ALA 68 -2.763 -1.809 -15.073 447 HB1 ALA 68 HB1 ALA 68 -3.906 0.511 -15.816 448 HB2 ALA 68 HB2 ALA 68 -2.209 0.103 -16.086 449 HB3 ALA 68 HB3 ALA 68 -2.673 1.105 -14.709 450 H ALA 69 H ALA 69 -2.647 1.112 -12.858 451 HA ALA 69 HA ALA 69 -1.130 -0.520 -11.000 452 HB1 ALA 69 HB1 ALA 69 0.672 0.530 -11.869 453 HB2 ALA 69 HB2 ALA 69 0.136 1.835 -10.805 454 HB3 ALA 69 HB3 ALA 69 -0.290 1.872 -12.515 455 H ALA 70 H ALA 70 -1.179 0.141 -8.956 456 HA ALA 70 HA ALA 70 -2.496 0.698 -7.072 457 HB1 ALA 70 HB1 ALA 70 -0.591 2.197 -7.074 458 HB2 ALA 70 HB2 ALA 70 -2.021 3.015 -6.429 459 HB3 ALA 70 HB3 ALA 70 -1.481 3.351 -8.072 460 H GLY 71 H GLY 71 -4.217 0.317 -9.179 461 HA2 GLY 71 HA2 GLY 71 -6.459 0.621 -9.505 462 HA3 GLY 71 HA3 GLY 71 -6.424 1.959 -8.389 463 H ILE 72 H ILE 72 -5.220 1.100 -11.526 464 HA ILE 72 HA ILE 72 -6.237 3.635 -12.615 465 HB ILE 72 HB ILE 72 -3.470 2.565 -12.935 466 HG12 ILE 72 HG12 ILE 72 -4.611 4.672 -11.510 467 HG13 ILE 72 HG13 ILE 72 -2.905 4.360 -11.756 468 HG21 ILE 72 HG21 ILE 72 -3.349 4.434 -14.790 469 HG22 ILE 72 HG22 ILE 72 -5.043 3.992 -14.992 470 HG23 ILE 72 HG23 ILE 72 -3.788 2.768 -15.165 471 HD11 ILE 72 HD11 ILE 72 -3.825 5.746 -14.052 472 HD12 ILE 72 HD12 ILE 72 -2.716 6.289 -12.776 473 HD13 ILE 72 HD13 ILE 72 -4.450 6.573 -12.605 474 H CYS 73 H CYS 73 -7.899 2.849 -13.847 475 HA CYS 73 HA CYS 73 -7.746 0.399 -15.272 476 HB2 CYS 73 HB2 CYS 73 -9.871 1.622 -14.438 477 HB3 CYS 73 HB3 CYS 73 -9.743 2.553 -15.919 478 H CYS 74 H CYS 74 -5.882 0.591 -16.563 479 HA CYS 74 HA CYS 74 -6.137 2.544 -18.747 480 HB2 CYS 74 HB2 CYS 74 -4.297 3.119 -17.287 481 HB3 CYS 74 HB3 CYS 74 -3.636 1.496 -17.430 482 H SER 75 H SER 75 -5.394 2.031 -20.691 483 HA SER 75 HA SER 75 -4.801 -0.782 -21.370 484 HB2 SER 75 HB2 SER 75 -6.515 0.887 -23.195 485 HB3 SER 75 HB3 SER 75 -6.439 -0.858 -23.050 486 HG SER 75 HG SER 75 -8.334 0.254 -22.111 487 HA PRO 76 HA PRO 76 -1.908 1.087 -24.250 488 HB2 PRO 76 HB2 PRO 76 -2.524 0.761 -26.830 489 HB3 PRO 76 HB3 PRO 76 -2.150 -0.622 -25.794 490 HG2 PRO 76 HG2 PRO 76 -4.788 0.386 -26.750 491 HG3 PRO 76 HG3 PRO 76 -4.236 -1.283 -26.535 492 HD2 PRO 76 HD2 PRO 76 -5.827 0.123 -24.758 493 HD3 PRO 76 HD3 PRO 76 -4.876 -1.317 -24.347 494 H ASP 77 H ASP 77 -5.111 2.211 -24.750 495 HA ASP 77 HA ASP 77 -4.499 4.500 -26.361 496 HB2 ASP 77 HB2 ASP 77 -6.834 3.258 -25.412 497 HB3 ASP 77 HB3 ASP 77 -6.863 4.888 -24.743 498 H GLY 78 H GLY 78 -5.205 4.145 -22.900 499 HA2 GLY 78 HA2 GLY 78 -3.359 6.127 -22.127 500 HA3 GLY 78 HA3 GLY 78 -4.956 6.843 -22.183 501 H CYS 79 H CYS 79 -3.413 6.680 -19.839 502 HA CYS 79 HA CYS 79 -4.861 4.659 -18.291 503 HB2 CYS 79 HB2 CYS 79 -2.391 6.161 -17.461 504 HB3 CYS 79 HB3 CYS 79 -3.093 4.787 -16.656 505 H GLU 80 H GLU 80 -5.891 5.218 -16.278 506 HA GLU 80 HA GLU 80 -5.876 7.964 -15.459 507 HB2 GLU 80 HB2 GLU 80 -8.244 8.361 -15.783 508 HB3 GLU 80 HB3 GLU 80 -7.486 8.004 -17.329 509 HG2 GLU 80 HG2 GLU 80 -8.903 6.352 -17.687 510 HG3 GLU 80 HG3 GLU 80 -8.424 5.570 -16.183 511 H GLU 81 H GLU 81 -6.180 8.055 -13.322 512 HA GLU 81 HA GLU 81 -6.295 5.801 -11.715 513 HB2 GLU 81 HB2 GLU 81 -6.999 7.420 -9.888 514 HB3 GLU 81 HB3 GLU 81 -5.517 7.812 -10.734 515 HG2 GLU 81 HG2 GLU 81 -6.969 9.321 -12.202 516 HG3 GLU 81 HG3 GLU 81 -8.178 9.128 -10.940 517 H ASP 82 H ASP 82 -7.869 4.388 -12.029 518 HA ASP 82 HA ASP 82 -10.645 5.201 -12.339 519 HB2 ASP 82 HB2 ASP 82 -11.150 2.859 -12.726 520 HB3 ASP 82 HB3 ASP 82 -9.770 3.344 -13.701 521 HA PRO 83 HA PRO 83 -11.226 5.080 -7.896 522 HB2 PRO 83 HB2 PRO 83 -14.060 5.293 -8.740 523 HB3 PRO 83 HB3 PRO 83 -13.161 6.271 -7.573 524 HG2 PRO 83 HG2 PRO 83 -13.774 7.229 -9.982 525 HG3 PRO 83 HG3 PRO 83 -12.210 7.591 -9.226 526 HD2 PRO 83 HD2 PRO 83 -12.863 5.648 -11.399 527 HD3 PRO 83 HD3 PRO 83 -11.434 6.672 -11.206 528 H ALA 84 H ALA 84 -12.093 2.827 -10.222 529 HA ALA 84 HA ALA 84 -13.584 1.140 -8.408 530 HB1 ALA 84 HB1 ALA 84 -14.464 0.192 -10.236 531 HB2 ALA 84 HB2 ALA 84 -12.881 0.002 -10.989 532 HB3 ALA 84 HB3 ALA 84 -13.734 1.543 -11.117 533 H CYS 85 H CYS 85 -10.554 1.764 -8.258 534 HA CYS 85 HA CYS 85 -9.858 -0.993 -7.772 535 HB2 CYS 85 HB2 CYS 85 -8.761 0.509 -9.986 536 HB3 CYS 85 HB3 CYS 85 -7.526 -0.138 -8.913 537 H ASP 86 H ASP 86 -8.476 2.380 -7.350 538 HA ASP 86 HA ASP 86 -7.938 1.728 -4.632 539 HB2 ASP 86 HB2 ASP 86 -6.256 0.381 -6.137 540 HB3 ASP 86 HB3 ASP 86 -5.350 1.889 -6.051 541 HA PRO 87 HA PRO 87 -5.887 5.939 -5.190 542 HB2 PRO 87 HB2 PRO 87 -6.012 7.200 -7.610 543 HB3 PRO 87 HB3 PRO 87 -4.709 6.162 -7.099 544 HG2 PRO 87 HG2 PRO 87 -6.643 5.693 -9.160 545 HG3 PRO 87 HG3 PRO 87 -5.295 4.668 -8.658 546 HD2 PRO 87 HD2 PRO 87 -8.154 4.476 -7.963 547 HD3 PRO 87 HD3 PRO 87 -6.961 3.241 -7.931 548 H GLU 88 H GLU 88 -8.053 6.883 -7.840 549 HA GLU 88 HA GLU 88 -9.331 8.816 -6.189 550 HB2 GLU 88 HB2 GLU 88 -8.813 8.918 -8.731 551 HB3 GLU 88 HB3 GLU 88 -10.241 7.899 -8.897 552 HG2 GLU 88 HG2 GLU 88 -11.633 9.602 -7.906 553 HG3 GLU 88 HG3 GLU 88 -10.222 10.605 -7.574 554 H ALA 89 H ALA 89 -9.519 5.671 -6.035 555 HA ALA 89 HA ALA 89 -12.194 4.983 -6.300 556 HB1 ALA 89 HB1 ALA 89 -10.944 3.300 -4.409 557 HB2 ALA 89 HB2 ALA 89 -9.736 3.745 -5.626 558 HB3 ALA 89 HB3 ALA 89 -11.251 2.987 -6.114 559 H ALA 90 H ALA 90 -13.355 4.061 -4.476 560 HA ALA 90 HA ALA 90 -13.641 6.051 -2.320 561 HB1 ALA 90 HB1 ALA 90 -15.769 4.097 -2.357 562 HB2 ALA 90 HB2 ALA 90 -15.583 4.890 -3.920 563 HB3 ALA 90 HB3 ALA 90 -15.855 5.857 -2.465 564 H PHE 91 H PHE 91 -14.462 2.682 -2.497 565 HA PHE 91 HA PHE 91 -12.735 2.149 -0.152 566 HB2 PHE 91 HB2 PHE 91 -15.473 1.952 -0.043 567 HB3 PHE 91 HB3 PHE 91 -14.994 0.293 -0.390 568 HD1 PHE 91 HD1 PHE 91 -13.202 -0.758 1.130 569 HD2 PHE 91 HD2 PHE 91 -15.363 2.781 2.123 570 HE1 PHE 91 HE1 PHE 91 -12.643 -1.083 3.506 571 HE2 PHE 91 HE2 PHE 91 -14.804 2.454 4.497 572 HZ PHE 91 HZ PHE 91 -13.445 0.524 5.188 573 H SER 92 H SER 92 -12.193 1.902 -3.054 574 HA SER 92 HA SER 92 -12.015 -0.983 -3.384 575 HB2 SER 92 HB2 SER 92 -13.013 -0.009 -5.287 576 HB3 SER 92 HB3 SER 92 -11.913 1.382 -5.269 577 HG SER 92 HG SER 92 -10.851 -1.199 -5.616 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 11.068 -17.854 -18.536 2 H2 ALA 1 H2 ALA 1 10.344 -18.796 -17.298 3 H3 ALA 1 H3 ALA 1 9.975 -17.125 -17.435 4 HA ALA 1 HA ALA 1 9.389 -18.076 -19.871 5 HB1 ALA 1 HB1 ALA 1 9.690 -20.360 -18.638 6 HB2 ALA 1 HB2 ALA 1 8.333 -20.119 -19.734 7 HB3 ALA 1 HB3 ALA 1 8.090 -20.000 -17.989 8 H VAL 2 H VAL 2 7.104 -17.778 -20.339 9 HA VAL 2 HA VAL 2 5.979 -15.621 -18.907 10 HB VAL 2 HB VAL 2 3.955 -16.010 -20.301 11 HG11 VAL 2 HG11 VAL 2 5.392 -15.913 -22.547 12 HG12 VAL 2 HG12 VAL 2 6.685 -15.659 -21.378 13 HG13 VAL 2 HG13 VAL 2 5.300 -14.572 -21.415 14 HG21 VAL 2 HG21 VAL 2 5.523 -18.242 -21.578 15 HG22 VAL 2 HG22 VAL 2 3.860 -17.755 -21.915 16 HG23 VAL 2 HG23 VAL 2 4.262 -18.513 -20.378 17 H LEU 3 H LEU 3 4.761 -15.623 -17.110 18 HA LEU 3 HA LEU 3 3.801 -18.083 -16.092 19 HB2 LEU 3 HB2 LEU 3 4.431 -15.455 -14.951 20 HB3 LEU 3 HB3 LEU 3 3.074 -16.324 -14.239 21 HG LEU 3 HG LEU 3 4.636 -17.236 -12.931 22 HD11 LEU 3 HD11 LEU 3 5.094 -18.700 -15.502 23 HD12 LEU 3 HD12 LEU 3 3.857 -19.057 -14.293 24 HD13 LEU 3 HD13 LEU 3 5.571 -19.310 -13.914 25 HD21 LEU 3 HD21 LEU 3 7.013 -17.322 -13.419 26 HD22 LEU 3 HD22 LEU 3 6.389 -15.705 -13.741 27 HD23 LEU 3 HD23 LEU 3 6.709 -16.810 -15.078 28 H ASP 4 H ASP 4 1.788 -18.429 -15.377 29 HA ASP 4 HA ASP 4 -0.183 -16.743 -16.575 30 HB2 ASP 4 HB2 ASP 4 -0.109 -19.039 -17.517 31 HB3 ASP 4 HB3 ASP 4 -0.465 -19.656 -15.903 32 H LEU 5 H LEU 5 0.848 -18.456 -13.826 33 HA LEU 5 HA LEU 5 -1.400 -17.817 -12.265 34 HB2 LEU 5 HB2 LEU 5 -0.489 -19.135 -10.541 35 HB3 LEU 5 HB3 LEU 5 -0.196 -19.956 -12.056 36 HG LEU 5 HG LEU 5 1.891 -20.251 -11.319 37 HD11 LEU 5 HD11 LEU 5 2.316 -18.464 -12.944 38 HD12 LEU 5 HD12 LEU 5 3.486 -18.482 -11.643 39 HD13 LEU 5 HD13 LEU 5 2.211 -17.281 -11.649 40 HD21 LEU 5 HD21 LEU 5 1.288 -18.125 -9.290 41 HD22 LEU 5 HD22 LEU 5 2.824 -18.965 -9.378 42 HD23 LEU 5 HD23 LEU 5 1.352 -19.864 -9.054 43 H ASP 6 H ASP 6 0.140 -17.547 -9.778 44 HA ASP 6 HA ASP 6 0.226 -14.700 -9.679 45 HB2 ASP 6 HB2 ASP 6 0.043 -16.953 -7.810 46 HB3 ASP 6 HB3 ASP 6 0.903 -15.552 -7.195 47 H VAL 7 H VAL 7 2.402 -17.160 -10.167 48 HA VAL 7 HA VAL 7 4.694 -15.986 -9.005 49 HB VAL 7 HB VAL 7 3.838 -18.455 -9.872 50 HG11 VAL 7 HG11 VAL 7 6.056 -17.423 -11.433 51 HG12 VAL 7 HG12 VAL 7 4.583 -18.230 -11.944 52 HG13 VAL 7 HG13 VAL 7 5.858 -19.151 -11.152 53 HG21 VAL 7 HG21 VAL 7 5.380 -19.257 -8.422 54 HG22 VAL 7 HG22 VAL 7 5.425 -17.565 -7.927 55 HG23 VAL 7 HG23 VAL 7 6.645 -18.192 -9.035 56 H ARG 8 H ARG 8 2.831 -14.993 -11.331 57 HA ARG 8 HA ARG 8 4.364 -14.795 -13.574 58 HB2 ARG 8 HB2 ARG 8 1.974 -13.422 -12.456 59 HB3 ARG 8 HB3 ARG 8 2.749 -12.696 -13.841 60 HG2 ARG 8 HG2 ARG 8 2.342 -14.636 -15.173 61 HG3 ARG 8 HG3 ARG 8 1.757 -15.523 -13.760 62 HD2 ARG 8 HD2 ARG 8 -0.188 -14.225 -13.617 63 HD3 ARG 8 HD3 ARG 8 0.468 -12.974 -14.664 64 HE ARG 8 HE ARG 8 0.325 -15.352 -16.119 65 HH11 ARG 8 HH11 ARG 8 -1.816 -13.013 -14.672 66 HH12 ARG 8 HH12 ARG 8 -3.092 -13.289 -15.810 67 HH21 ARG 8 HH21 ARG 8 -1.353 -15.723 -17.617 68 HH22 ARG 8 HH22 ARG 8 -2.829 -14.829 -17.481 69 H THR 9 H THR 9 5.429 -12.853 -14.465 70 HA THR 9 HA THR 9 5.962 -10.642 -12.812 71 HB THR 9 HB THR 9 8.487 -11.839 -13.441 72 HG1 THR 9 HG1 THR 9 6.900 -13.081 -11.465 73 HG21 THR 9 HG21 THR 9 8.672 -11.420 -10.847 74 HG22 THR 9 HG22 THR 9 7.285 -10.383 -11.181 75 HG23 THR 9 HG23 THR 9 8.811 -10.112 -12.023 76 H CYS 10 H CYS 10 5.003 -9.830 -14.849 77 HA CYS 10 HA CYS 10 6.072 -9.972 -17.359 78 HB2 CYS 10 HB2 CYS 10 4.413 -8.088 -15.907 79 HB3 CYS 10 HB3 CYS 10 5.394 -7.293 -17.130 80 H LEU 11 H LEU 11 7.219 -8.095 -18.558 81 HA LEU 11 HA LEU 11 9.860 -7.897 -17.528 82 HB2 LEU 11 HB2 LEU 11 8.470 -6.653 -19.889 83 HB3 LEU 11 HB3 LEU 11 10.143 -6.293 -19.506 84 HG LEU 11 HG LEU 11 10.741 -8.644 -19.788 85 HD11 LEU 11 HD11 LEU 11 7.870 -9.080 -20.596 86 HD12 LEU 11 HD12 LEU 11 8.568 -9.581 -19.057 87 HD13 LEU 11 HD13 LEU 11 9.159 -10.283 -20.560 88 HD21 LEU 11 HD21 LEU 11 11.027 -8.307 -21.969 89 HD22 LEU 11 HD22 LEU 11 10.051 -6.851 -21.781 90 HD23 LEU 11 HD23 LEU 11 9.292 -8.361 -22.280 91 HA PRO 12 HA PRO 12 8.820 -4.565 -14.658 92 HB2 PRO 12 HB2 PRO 12 11.773 -4.388 -14.585 93 HB3 PRO 12 HB3 PRO 12 10.609 -4.489 -13.262 94 HG2 PRO 12 HG2 PRO 12 12.156 -6.565 -14.097 95 HG3 PRO 12 HG3 PRO 12 10.604 -6.740 -13.267 96 HD2 PRO 12 HD2 PRO 12 11.301 -7.300 -16.055 97 HD3 PRO 12 HD3 PRO 12 9.872 -7.799 -15.139 98 H CYS 13 H CYS 13 9.462 -2.347 -14.362 99 HA CYS 13 HA CYS 13 10.721 -0.946 -16.484 100 HB2 CYS 13 HB2 CYS 13 8.286 -1.259 -17.089 101 HB3 CYS 13 HB3 CYS 13 7.903 -0.270 -15.692 102 H GLY 14 H GLY 14 9.679 1.508 -15.693 103 HA2 GLY 14 HA2 GLY 14 10.199 3.273 -14.249 104 HA3 GLY 14 HA3 GLY 14 9.692 2.134 -13.029 105 HA PRO 15 HA PRO 15 14.033 2.859 -11.986 106 HB2 PRO 15 HB2 PRO 15 13.684 3.170 -9.390 107 HB3 PRO 15 HB3 PRO 15 12.994 4.361 -10.509 108 HG2 PRO 15 HG2 PRO 15 11.620 2.021 -9.240 109 HG3 PRO 15 HG3 PRO 15 11.134 3.729 -9.215 110 HD2 PRO 15 HD2 PRO 15 10.167 1.968 -11.039 111 HD3 PRO 15 HD3 PRO 15 10.398 3.680 -11.414 112 H GLY 16 H GLY 16 14.290 0.583 -12.784 113 HA2 GLY 16 HA2 GLY 16 15.573 -1.314 -12.079 114 HA3 GLY 16 HA3 GLY 16 14.784 -1.223 -10.512 115 H GLY 17 H GLY 17 12.283 -1.391 -10.775 116 HA2 GLY 17 HA2 GLY 17 11.139 -2.862 -12.814 117 HA3 GLY 17 HA3 GLY 17 11.665 -3.998 -11.599 118 H LYS 18 H LYS 18 10.623 -0.797 -11.103 119 HA LYS 18 HA LYS 18 8.788 -1.313 -9.059 120 HB2 LYS 18 HB2 LYS 18 9.859 0.918 -10.577 121 HB3 LYS 18 HB3 LYS 18 8.207 1.148 -10.068 122 HG2 LYS 18 HG2 LYS 18 10.126 1.972 -8.620 123 HG3 LYS 18 HG3 LYS 18 8.725 1.213 -7.882 124 HD2 LYS 18 HD2 LYS 18 9.897 -0.873 -7.802 125 HD3 LYS 18 HD3 LYS 18 11.293 -0.158 -8.531 126 HE2 LYS 18 HE2 LYS 18 11.057 1.519 -6.527 127 HE3 LYS 18 HE3 LYS 18 10.226 0.137 -5.841 128 HZ1 LYS 18 HZ1 LYS 18 12.412 -0.151 -5.173 129 HZ2 LYS 18 HZ2 LYS 18 13.039 0.332 -6.667 130 HZ3 LYS 18 HZ3 LYS 18 12.282 -1.173 -6.516 131 H GLY 19 H GLY 19 8.639 -1.152 -12.413 132 HA2 GLY 19 HA2 GLY 19 5.853 -1.808 -12.470 133 HA3 GLY 19 HA3 GLY 19 6.379 -0.425 -13.403 134 H ARG 20 H ARG 20 5.865 -1.321 -15.259 135 HA ARG 20 HA ARG 20 7.837 -2.925 -16.524 136 HB2 ARG 20 HB2 ARG 20 6.463 -4.796 -17.127 137 HB3 ARG 20 HB3 ARG 20 6.458 -4.623 -15.372 138 HG2 ARG 20 HG2 ARG 20 4.271 -4.201 -15.298 139 HG3 ARG 20 HG3 ARG 20 4.363 -3.154 -16.711 140 HD2 ARG 20 HD2 ARG 20 3.510 -4.735 -17.977 141 HD3 ARG 20 HD3 ARG 20 4.868 -5.768 -17.563 142 HE ARG 20 HE ARG 20 3.503 -6.454 -15.579 143 HH11 ARG 20 HH11 ARG 20 1.976 -5.280 -18.491 144 HH12 ARG 20 HH12 ARG 20 0.489 -6.113 -18.200 145 HH21 ARG 20 HH21 ARG 20 1.544 -7.554 -15.189 146 HH22 ARG 20 HH22 ARG 20 0.242 -7.404 -16.320 147 H CYS 21 H CYS 21 6.880 -3.444 -18.910 148 HA CYS 21 HA CYS 21 5.499 -0.988 -19.770 149 HB2 CYS 21 HB2 CYS 21 6.958 -0.695 -21.460 150 HB3 CYS 21 HB3 CYS 21 7.985 -1.752 -20.520 151 H PHE 22 H PHE 22 3.558 -1.175 -20.929 152 HA PHE 22 HA PHE 22 2.610 -3.912 -21.147 153 HB2 PHE 22 HB2 PHE 22 1.289 -1.217 -20.988 154 HB3 PHE 22 HB3 PHE 22 0.395 -2.683 -21.326 155 HD1 PHE 22 HD1 PHE 22 3.244 -2.131 -18.990 156 HD2 PHE 22 HD2 PHE 22 -0.906 -3.008 -19.429 157 HE1 PHE 22 HE1 PHE 22 3.068 -2.538 -16.574 158 HE2 PHE 22 HE2 PHE 22 -1.075 -3.422 -17.011 159 HZ PHE 22 HZ PHE 22 0.916 -3.187 -15.582 160 H GLY 23 H GLY 23 4.001 -1.774 -23.297 161 HA2 GLY 23 HA2 GLY 23 3.752 -3.109 -25.544 162 HA3 GLY 23 HA3 GLY 23 2.113 -2.524 -25.441 163 HA PRO 24 HA PRO 24 3.636 0.975 -27.648 164 HB2 PRO 24 HB2 PRO 24 1.603 2.671 -27.455 165 HB3 PRO 24 HB3 PRO 24 1.380 1.069 -28.167 166 HG2 PRO 24 HG2 PRO 24 0.555 2.081 -25.499 167 HG3 PRO 24 HG3 PRO 24 -0.221 0.889 -26.546 168 HD2 PRO 24 HD2 PRO 24 1.480 0.394 -24.322 169 HD3 PRO 24 HD3 PRO 24 0.831 -0.803 -25.471 170 H SER 25 H SER 25 5.493 1.547 -26.302 171 HA SER 25 HA SER 25 6.760 3.012 -25.055 172 HB2 SER 25 HB2 SER 25 5.439 4.525 -26.822 173 HB3 SER 25 HB3 SER 25 4.680 5.143 -25.348 174 HG SER 25 HG SER 25 6.405 6.315 -25.156 175 H ILE 26 H ILE 26 4.259 1.595 -23.903 176 HA ILE 26 HA ILE 26 3.697 3.377 -21.688 177 HB ILE 26 HB ILE 26 1.989 1.993 -23.176 178 HG12 ILE 26 HG12 ILE 26 1.448 2.190 -20.244 179 HG13 ILE 26 HG13 ILE 26 1.721 3.652 -21.220 180 HG21 ILE 26 HG21 ILE 26 1.145 0.054 -21.909 181 HG22 ILE 26 HG22 ILE 26 2.544 0.194 -20.834 182 HG23 ILE 26 HG23 ILE 26 2.776 -0.213 -22.541 183 HD11 ILE 26 HD11 ILE 26 -0.661 2.155 -20.942 184 HD12 ILE 26 HD12 ILE 26 -0.093 1.946 -22.603 185 HD13 ILE 26 HD13 ILE 26 -0.372 3.565 -21.960 186 H CYS 27 H CYS 27 3.493 2.601 -19.594 187 HA CYS 27 HA CYS 27 4.796 0.248 -18.755 188 HB2 CYS 27 HB2 CYS 27 6.090 2.828 -18.876 189 HB3 CYS 27 HB3 CYS 27 6.148 2.093 -17.299 190 H CYS 28 H CYS 28 4.263 -0.265 -16.650 191 HA CYS 28 HA CYS 28 2.654 1.589 -15.106 192 HB2 CYS 28 HB2 CYS 28 1.367 -0.184 -16.686 193 HB3 CYS 28 HB3 CYS 28 1.633 -1.196 -15.268 194 H GLY 29 H GLY 29 3.361 1.546 -13.057 195 HA2 GLY 29 HA2 GLY 29 4.843 -0.771 -12.204 196 HA3 GLY 29 HA3 GLY 29 5.142 0.841 -11.675 197 H ASP 30 H ASP 30 4.675 -1.285 -9.824 198 HA ASP 30 HA ASP 30 1.966 -1.311 -9.027 199 HB2 ASP 30 HB2 ASP 30 4.380 -2.612 -8.231 200 HB3 ASP 30 HB3 ASP 30 3.644 -1.900 -6.797 201 H GLU 31 H GLU 31 4.610 -0.228 -6.951 202 HA GLU 31 HA GLU 31 3.085 1.798 -5.708 203 HB2 GLU 31 HB2 GLU 31 5.243 2.405 -4.665 204 HB3 GLU 31 HB3 GLU 31 4.972 0.667 -4.593 205 HG2 GLU 31 HG2 GLU 31 6.810 0.237 -5.766 206 HG3 GLU 31 HG3 GLU 31 6.389 1.418 -7.014 207 H LEU 32 H LEU 32 4.418 1.474 -8.645 208 HA LEU 32 HA LEU 32 5.473 4.074 -9.136 209 HB2 LEU 32 HB2 LEU 32 5.845 1.478 -9.855 210 HB3 LEU 32 HB3 LEU 32 5.121 2.171 -11.257 211 HG LEU 32 HG LEU 32 7.764 2.504 -10.151 212 HD11 LEU 32 HD11 LEU 32 8.355 1.978 -12.247 213 HD12 LEU 32 HD12 LEU 32 7.021 2.892 -12.960 214 HD13 LEU 32 HD13 LEU 32 6.721 1.306 -12.235 215 HD21 LEU 32 HD21 LEU 32 6.535 4.743 -11.706 216 HD22 LEU 32 HD22 LEU 32 8.190 4.648 -11.138 217 HD23 LEU 32 HD23 LEU 32 6.868 4.819 -9.985 218 H GLY 33 H GLY 33 2.484 2.516 -9.561 219 HA2 GLY 33 HA2 GLY 33 0.494 3.272 -10.468 220 HA3 GLY 33 HA3 GLY 33 1.301 4.800 -10.720 221 H CYS 34 H CYS 34 0.109 4.807 -12.799 222 HA CYS 34 HA CYS 34 1.438 3.040 -14.729 223 HB2 CYS 34 HB2 CYS 34 -1.255 3.315 -14.296 224 HB3 CYS 34 HB3 CYS 34 -0.976 4.286 -15.739 225 H PHE 35 H PHE 35 2.332 3.803 -16.549 226 HA PHE 35 HA PHE 35 2.249 6.705 -17.058 227 HB2 PHE 35 HB2 PHE 35 4.774 5.127 -17.497 228 HB3 PHE 35 HB3 PHE 35 4.568 6.865 -17.410 229 HD1 PHE 35 HD1 PHE 35 4.514 3.781 -15.374 230 HD2 PHE 35 HD2 PHE 35 4.937 8.014 -15.438 231 HE1 PHE 35 HE1 PHE 35 5.275 3.734 -13.037 232 HE2 PHE 35 HE2 PHE 35 5.708 7.974 -13.099 233 HZ PHE 35 HZ PHE 35 5.880 5.833 -11.904 234 H VAL 36 H VAL 36 2.666 7.295 -19.236 235 HA VAL 36 HA VAL 36 2.882 5.150 -21.176 236 HB VAL 36 HB VAL 36 0.802 7.250 -21.701 237 HG11 VAL 36 HG11 VAL 36 0.281 5.990 -23.546 238 HG12 VAL 36 HG12 VAL 36 0.790 4.480 -22.797 239 HG13 VAL 36 HG13 VAL 36 2.001 5.608 -23.405 240 HG21 VAL 36 HG21 VAL 36 0.053 4.521 -20.743 241 HG22 VAL 36 HG22 VAL 36 -0.912 5.990 -20.781 242 HG23 VAL 36 HG23 VAL 36 0.369 5.802 -19.585 243 H GLY 37 H GLY 37 4.316 5.619 -22.594 244 HA2 GLY 37 HA2 GLY 37 5.814 6.802 -23.878 245 HA3 GLY 37 HA3 GLY 37 4.599 8.067 -23.948 246 H THR 38 H THR 38 5.357 7.417 -20.745 247 HA THR 38 HA THR 38 6.716 9.923 -20.445 248 HB THR 38 HB THR 38 6.573 9.566 -18.108 249 HG1 THR 38 HG1 THR 38 7.332 7.606 -17.696 250 HG21 THR 38 HG21 THR 38 4.370 9.939 -18.916 251 HG22 THR 38 HG22 THR 38 4.293 8.676 -17.687 252 HG23 THR 38 HG23 THR 38 4.201 8.251 -19.397 253 H ALA 39 H ALA 39 8.636 9.785 -18.709 254 HA ALA 39 HA ALA 39 10.824 8.603 -20.116 255 HB1 ALA 39 HB1 ALA 39 12.227 9.666 -18.547 256 HB2 ALA 39 HB2 ALA 39 10.944 9.749 -17.339 257 HB3 ALA 39 HB3 ALA 39 10.866 10.763 -18.779 258 H GLU 40 H GLU 40 9.160 7.938 -17.080 259 HA GLU 40 HA GLU 40 10.804 5.703 -16.380 260 HB2 GLU 40 HB2 GLU 40 8.584 7.184 -15.229 261 HB3 GLU 40 HB3 GLU 40 8.455 5.454 -14.968 262 HG2 GLU 40 HG2 GLU 40 9.702 5.901 -13.158 263 HG3 GLU 40 HG3 GLU 40 11.029 5.812 -14.316 264 H ALA 41 H ALA 41 8.907 5.905 -18.946 265 HA ALA 41 HA ALA 41 7.856 3.171 -18.659 266 HB1 ALA 41 HB1 ALA 41 5.944 3.782 -19.889 267 HB2 ALA 41 HB2 ALA 41 6.672 5.309 -20.367 268 HB3 ALA 41 HB3 ALA 41 6.187 5.053 -18.691 269 H LEU 42 H LEU 42 10.057 5.009 -20.296 270 HA LEU 42 HA LEU 42 9.791 4.188 -22.945 271 HB2 LEU 42 HB2 LEU 42 12.272 4.734 -23.026 272 HB3 LEU 42 HB3 LEU 42 11.185 6.023 -22.562 273 HG LEU 42 HG LEU 42 12.183 6.300 -20.574 274 HD11 LEU 42 HD11 LEU 42 12.546 4.652 -18.945 275 HD12 LEU 42 HD12 LEU 42 12.729 3.374 -20.148 276 HD13 LEU 42 HD13 LEU 42 11.144 4.080 -19.838 277 HD21 LEU 42 HD21 LEU 42 14.242 4.432 -21.736 278 HD22 LEU 42 HD22 LEU 42 14.512 5.614 -20.455 279 HD23 LEU 42 HD23 LEU 42 14.099 6.155 -22.082 280 H ARG 43 H ARG 43 10.611 2.457 -20.182 281 HA ARG 43 HA ARG 43 12.572 0.691 -20.848 282 HB2 ARG 43 HB2 ARG 43 10.524 0.857 -18.930 283 HB3 ARG 43 HB3 ARG 43 10.512 -0.761 -19.607 284 HG2 ARG 43 HG2 ARG 43 11.928 -0.561 -17.595 285 HG3 ARG 43 HG3 ARG 43 12.815 -1.091 -19.022 286 HD2 ARG 43 HD2 ARG 43 13.948 0.897 -19.224 287 HD3 ARG 43 HD3 ARG 43 12.693 1.819 -18.399 288 HE ARG 43 HE ARG 43 14.293 -0.086 -16.855 289 HH11 ARG 43 HH11 ARG 43 13.455 3.221 -17.594 290 HH12 ARG 43 HH12 ARG 43 14.226 3.864 -16.185 291 HH21 ARG 43 HH21 ARG 43 15.313 0.760 -15.000 292 HH22 ARG 43 HH22 ARG 43 15.282 2.467 -14.712 293 H CYS 44 H CYS 44 9.500 0.913 -22.362 294 HA CYS 44 HA CYS 44 9.292 -1.785 -23.168 295 HB2 CYS 44 HB2 CYS 44 7.665 0.423 -23.326 296 HB3 CYS 44 HB3 CYS 44 8.077 0.121 -25.012 297 H GLN 45 H GLN 45 11.371 0.667 -24.064 298 HA GLN 45 HA GLN 45 11.835 0.115 -26.767 299 HB2 GLN 45 HB2 GLN 45 13.106 1.577 -24.585 300 HB3 GLN 45 HB3 GLN 45 14.253 0.935 -25.748 301 HG2 GLN 45 HG2 GLN 45 13.552 2.311 -27.413 302 HG3 GLN 45 HG3 GLN 45 11.892 2.365 -26.818 303 HE21 GLN 45 HE21 GLN 45 11.440 3.708 -24.985 304 HE22 GLN 45 HE22 GLN 45 12.410 5.104 -24.677 305 H GLU 46 H GLU 46 12.381 -1.553 -23.954 306 HA GLU 46 HA GLU 46 14.619 -3.179 -24.860 307 HB2 GLU 46 HB2 GLU 46 14.565 -4.246 -22.752 308 HB3 GLU 46 HB3 GLU 46 14.174 -2.573 -22.411 309 HG2 GLU 46 HG2 GLU 46 12.651 -3.690 -21.111 310 HG3 GLU 46 HG3 GLU 46 11.711 -3.382 -22.570 311 H GLU 47 H GLU 47 11.191 -3.114 -24.889 312 HA GLU 47 HA GLU 47 10.842 -5.911 -25.533 313 HB2 GLU 47 HB2 GLU 47 9.178 -3.972 -24.537 314 HB3 GLU 47 HB3 GLU 47 8.652 -4.073 -26.212 315 HG2 GLU 47 HG2 GLU 47 8.402 -6.531 -25.914 316 HG3 GLU 47 HG3 GLU 47 8.755 -6.306 -24.201 317 H ASN 48 H ASN 48 12.114 -3.408 -27.225 318 HA ASN 48 HA ASN 48 10.845 -3.873 -29.730 319 HB2 ASN 48 HB2 ASN 48 12.218 -1.753 -28.658 320 HB3 ASN 48 HB3 ASN 48 13.387 -2.430 -29.789 321 HD21 ASN 48 HD21 ASN 48 13.149 -0.451 -30.963 322 HD22 ASN 48 HD22 ASN 48 11.813 -0.237 -32.038 323 H TYR 49 H TYR 49 13.163 -5.505 -27.978 324 HA TYR 49 HA TYR 49 14.298 -6.661 -30.446 325 HB2 TYR 49 HB2 TYR 49 15.628 -5.721 -27.977 326 HB3 TYR 49 HB3 TYR 49 16.191 -7.271 -28.610 327 HD1 TYR 49 HD1 TYR 49 16.577 -7.235 -31.266 328 HD2 TYR 49 HD2 TYR 49 16.721 -3.833 -28.716 329 HE1 TYR 49 HE1 TYR 49 17.968 -6.062 -32.920 330 HE2 TYR 49 HE2 TYR 49 18.112 -2.650 -30.363 331 HH TYR 49 HH TYR 49 19.437 -4.261 -33.147 332 H LEU 50 H LEU 50 13.076 -7.226 -27.207 333 HA LEU 50 HA LEU 50 13.124 -10.121 -27.740 334 HB2 LEU 50 HB2 LEU 50 13.370 -8.509 -25.248 335 HB3 LEU 50 HB3 LEU 50 12.600 -10.080 -25.138 336 HG LEU 50 HG LEU 50 14.967 -10.229 -24.580 337 HD11 LEU 50 HD11 LEU 50 15.360 -11.663 -26.971 338 HD12 LEU 50 HD12 LEU 50 13.637 -11.744 -26.604 339 HD13 LEU 50 HD13 LEU 50 14.819 -12.278 -25.409 340 HD21 LEU 50 HD21 LEU 50 15.266 -8.838 -27.194 341 HD22 LEU 50 HD22 LEU 50 16.519 -9.962 -26.682 342 HD23 LEU 50 HD23 LEU 50 16.114 -8.573 -25.674 343 HA PRO 51 HA PRO 51 8.739 -10.276 -28.322 344 HB2 PRO 51 HB2 PRO 51 9.035 -12.670 -26.538 345 HB3 PRO 51 HB3 PRO 51 8.107 -12.495 -28.037 346 HG2 PRO 51 HG2 PRO 51 10.423 -13.699 -28.166 347 HG3 PRO 51 HG3 PRO 51 10.041 -12.439 -29.362 348 HD2 PRO 51 HD2 PRO 51 11.789 -12.260 -26.930 349 HD3 PRO 51 HD3 PRO 51 12.066 -11.616 -28.564 350 H SER 52 H SER 52 6.700 -10.747 -26.903 351 HA SER 52 HA SER 52 7.032 -9.261 -24.385 352 HB2 SER 52 HB2 SER 52 4.631 -8.678 -24.628 353 HB3 SER 52 HB3 SER 52 5.595 -8.125 -25.996 354 HG SER 52 HG SER 52 3.993 -9.113 -27.010 355 HA PRO 53 HA PRO 53 5.508 -13.434 -23.075 356 HB2 PRO 53 HB2 PRO 53 7.731 -14.557 -22.144 357 HB3 PRO 53 HB3 PRO 53 7.441 -14.461 -23.883 358 HG2 PRO 53 HG2 PRO 53 9.289 -12.879 -22.180 359 HG3 PRO 53 HG3 PRO 53 9.454 -13.360 -23.877 360 HD2 PRO 53 HD2 PRO 53 8.539 -10.855 -22.867 361 HD3 PRO 53 HD3 PRO 53 8.581 -11.393 -24.554 362 H CYS 54 H CYS 54 4.318 -12.728 -21.317 363 HA CYS 54 HA CYS 54 5.218 -13.055 -18.750 364 HB2 CYS 54 HB2 CYS 54 5.700 -10.898 -17.901 365 HB3 CYS 54 HB3 CYS 54 6.620 -11.085 -19.379 366 H GLN 55 H GLN 55 3.478 -13.390 -17.518 367 HA GLN 55 HA GLN 55 1.277 -13.566 -16.956 368 HB2 GLN 55 HB2 GLN 55 0.528 -11.644 -15.912 369 HB3 GLN 55 HB3 GLN 55 2.251 -11.322 -16.053 370 HG2 GLN 55 HG2 GLN 55 1.794 -9.427 -17.082 371 HG3 GLN 55 HG3 GLN 55 1.008 -10.312 -18.387 372 HE21 GLN 55 HE21 GLN 55 -1.046 -9.897 -18.719 373 HE22 GLN 55 HE22 GLN 55 -2.136 -9.171 -17.593 374 H SER 56 H SER 56 -0.966 -11.916 -17.540 375 HA SER 56 HA SER 56 -1.401 -11.425 -20.229 376 HB2 SER 56 HB2 SER 56 -1.015 -13.890 -20.441 377 HB3 SER 56 HB3 SER 56 -2.441 -14.151 -19.440 378 HG SER 56 HG SER 56 -3.286 -14.197 -21.411 379 H GLY 57 H GLY 57 -2.767 -9.817 -19.803 380 HA2 GLY 57 HA2 GLY 57 -4.671 -8.711 -19.192 381 HA3 GLY 57 HA3 GLY 57 -5.470 -10.269 -19.266 382 H GLN 58 H GLN 58 -5.089 -7.703 -17.381 383 HA GLN 58 HA GLN 58 -5.160 -9.270 -14.902 384 HB2 GLN 58 HB2 GLN 58 -3.688 -6.877 -15.677 385 HB3 GLN 58 HB3 GLN 58 -4.551 -6.740 -14.152 386 HG2 GLN 58 HG2 GLN 58 -3.198 -9.273 -14.394 387 HG3 GLN 58 HG3 GLN 58 -2.086 -7.921 -14.570 388 HE21 GLN 58 HE21 GLN 58 -3.250 -9.998 -12.397 389 HE22 GLN 58 HE22 GLN 58 -3.151 -9.047 -10.958 390 H LYS 59 H LYS 59 -6.799 -9.001 -13.617 391 HA LYS 59 HA LYS 59 -9.232 -8.650 -13.805 392 HB2 LYS 59 HB2 LYS 59 -9.575 -7.247 -11.750 393 HB3 LYS 59 HB3 LYS 59 -8.448 -8.585 -11.562 394 HG2 LYS 59 HG2 LYS 59 -6.684 -6.712 -12.187 395 HG3 LYS 59 HG3 LYS 59 -7.948 -5.663 -11.542 396 HD2 LYS 59 HD2 LYS 59 -7.760 -7.774 -9.728 397 HD3 LYS 59 HD3 LYS 59 -6.092 -7.378 -10.143 398 HE2 LYS 59 HE2 LYS 59 -6.184 -5.366 -9.127 399 HE3 LYS 59 HE3 LYS 59 -7.845 -5.071 -9.639 400 HZ1 LYS 59 HZ1 LYS 59 -7.657 -5.308 -7.233 401 HZ2 LYS 59 HZ2 LYS 59 -7.034 -6.869 -7.418 402 HZ3 LYS 59 HZ3 LYS 59 -8.621 -6.531 -7.894 403 HA PRO 60 HA PRO 60 -9.301 -5.135 -16.716 404 HB2 PRO 60 HB2 PRO 60 -11.818 -6.511 -17.407 405 HB3 PRO 60 HB3 PRO 60 -10.547 -5.891 -18.460 406 HG2 PRO 60 HG2 PRO 60 -10.833 -8.512 -17.905 407 HG3 PRO 60 HG3 PRO 60 -9.274 -7.764 -18.233 408 HD2 PRO 60 HD2 PRO 60 -10.362 -8.747 -15.690 409 HD3 PRO 60 HD3 PRO 60 -8.687 -8.489 -16.198 410 H CYS 61 H CYS 61 -10.853 -3.600 -17.329 411 HA CYS 61 HA CYS 61 -13.277 -3.242 -15.916 412 HB2 CYS 61 HB2 CYS 61 -12.621 -0.921 -15.039 413 HB3 CYS 61 HB3 CYS 61 -12.163 -2.345 -14.113 414 H GLY 62 H GLY 62 -14.437 -1.238 -16.383 415 HA2 GLY 62 HA2 GLY 62 -14.254 -0.718 -19.171 416 HA3 GLY 62 HA3 GLY 62 -15.568 -0.330 -18.096 417 H SER 63 H SER 63 -12.342 0.666 -17.283 418 HA SER 63 HA SER 63 -13.058 3.359 -17.970 419 HB2 SER 63 HB2 SER 63 -12.487 2.753 -15.539 420 HB3 SER 63 HB3 SER 63 -10.836 2.620 -16.108 421 HG SER 63 HG SER 63 -11.555 4.739 -15.254 422 H GLY 64 H GLY 64 -12.220 1.528 -19.873 423 HA2 GLY 64 HA2 GLY 64 -11.009 1.937 -21.833 424 HA3 GLY 64 HA3 GLY 64 -9.899 2.884 -20.885 425 H GLY 65 H GLY 65 -10.424 0.000 -19.310 426 HA2 GLY 65 HA2 GLY 65 -9.042 -1.981 -20.538 427 HA3 GLY 65 HA3 GLY 65 -7.807 -0.909 -19.982 428 H ARG 66 H ARG 66 -6.905 -2.427 -18.700 429 HA ARG 66 HA ARG 66 -8.495 -3.658 -16.712 430 HB2 ARG 66 HB2 ARG 66 -5.530 -3.975 -17.007 431 HB3 ARG 66 HB3 ARG 66 -6.670 -5.095 -16.284 432 HG2 ARG 66 HG2 ARG 66 -6.669 -4.371 -19.199 433 HG3 ARG 66 HG3 ARG 66 -5.821 -5.767 -18.529 434 HD2 ARG 66 HD2 ARG 66 -8.206 -6.234 -17.478 435 HD3 ARG 66 HD3 ARG 66 -8.734 -5.286 -18.865 436 HE ARG 66 HE ARG 66 -8.023 -7.965 -18.932 437 HH11 ARG 66 HH11 ARG 66 -7.185 -5.044 -20.649 438 HH12 ARG 66 HH12 ARG 66 -6.808 -5.872 -22.118 439 HH21 ARG 66 HH21 ARG 66 -7.534 -9.049 -20.861 440 HH22 ARG 66 HH22 ARG 66 -7.007 -8.145 -22.241 441 H CYS 67 H CYS 67 -6.964 -4.058 -14.557 442 HA CYS 67 HA CYS 67 -7.069 -1.477 -13.340 443 HB2 CYS 67 HB2 CYS 67 -7.985 -3.423 -12.160 444 HB3 CYS 67 HB3 CYS 67 -6.395 -4.162 -12.155 445 H ALA 68 H ALA 68 -5.248 -1.248 -15.132 446 HA ALA 68 HA ALA 68 -2.778 -1.901 -15.310 447 HB1 ALA 68 HB1 ALA 68 -3.382 -0.014 -16.472 448 HB2 ALA 68 HB2 ALA 68 -2.085 0.527 -15.423 449 HB3 ALA 68 HB3 ALA 68 -3.744 0.892 -15.009 450 H ALA 69 H ALA 69 -3.219 0.545 -12.575 451 HA ALA 69 HA ALA 69 -1.421 -0.888 -10.897 452 HB1 ALA 69 HB1 ALA 69 0.202 0.936 -10.804 453 HB2 ALA 69 HB2 ALA 69 -0.613 1.737 -12.159 454 HB3 ALA 69 HB3 ALA 69 0.186 0.168 -12.392 455 H ALA 70 H ALA 70 -1.611 -0.159 -8.848 456 HA ALA 70 HA ALA 70 -2.993 0.653 -7.060 457 HB1 ALA 70 HB1 ALA 70 -1.559 2.174 -6.323 458 HB2 ALA 70 HB2 ALA 70 -2.474 3.362 -7.273 459 HB3 ALA 70 HB3 ALA 70 -1.048 2.567 -7.971 460 H GLY 71 H GLY 71 -4.583 0.416 -9.232 461 HA2 GLY 71 HA2 GLY 71 -6.667 1.082 -9.855 462 HA3 GLY 71 HA3 GLY 71 -6.489 2.474 -8.835 463 H ILE 72 H ILE 72 -5.911 1.106 -11.874 464 HA ILE 72 HA ILE 72 -5.941 3.591 -13.217 465 HB ILE 72 HB ILE 72 -3.431 1.940 -13.344 466 HG12 ILE 72 HG12 ILE 72 -3.924 4.112 -11.925 467 HG13 ILE 72 HG13 ILE 72 -2.341 3.740 -12.603 468 HG21 ILE 72 HG21 ILE 72 -2.848 3.590 -15.254 469 HG22 ILE 72 HG22 ILE 72 -4.588 3.600 -15.504 470 HG23 ILE 72 HG23 ILE 72 -3.693 2.094 -15.605 471 HD11 ILE 72 HD11 ILE 72 -2.350 5.620 -13.708 472 HD12 ILE 72 HD12 ILE 72 -3.944 6.022 -13.048 473 HD13 ILE 72 HD13 ILE 72 -3.815 5.130 -14.582 474 H CYS 73 H CYS 73 -7.599 2.988 -14.434 475 HA CYS 73 HA CYS 73 -7.592 0.323 -15.418 476 HB2 CYS 73 HB2 CYS 73 -9.568 1.408 -14.449 477 HB3 CYS 73 HB3 CYS 73 -9.632 2.512 -15.798 478 H CYS 74 H CYS 74 -6.004 0.183 -16.832 479 HA CYS 74 HA CYS 74 -5.877 2.142 -19.006 480 HB2 CYS 74 HB2 CYS 74 -4.169 2.858 -17.645 481 HB3 CYS 74 HB3 CYS 74 -3.814 1.273 -17.041 482 H SER 75 H SER 75 -5.201 1.539 -20.844 483 HA SER 75 HA SER 75 -4.367 -1.201 -21.335 484 HB2 SER 75 HB2 SER 75 -6.221 0.454 -23.056 485 HB3 SER 75 HB3 SER 75 -5.624 -1.145 -23.479 486 HG SER 75 HG SER 75 -7.341 -0.448 -21.353 487 HA PRO 76 HA PRO 76 -1.417 1.020 -24.004 488 HB2 PRO 76 HB2 PRO 76 -1.973 0.717 -26.689 489 HB3 PRO 76 HB3 PRO 76 -1.236 -0.536 -25.685 490 HG2 PRO 76 HG2 PRO 76 -3.815 -0.556 -26.917 491 HG3 PRO 76 HG3 PRO 76 -3.097 -1.796 -25.880 492 HD2 PRO 76 HD2 PRO 76 -5.035 0.336 -25.210 493 HD3 PRO 76 HD3 PRO 76 -4.751 -1.227 -24.422 494 H ASP 77 H ASP 77 -4.676 1.658 -25.049 495 HA ASP 77 HA ASP 77 -4.430 3.988 -26.527 496 HB2 ASP 77 HB2 ASP 77 -6.490 2.346 -25.725 497 HB3 ASP 77 HB3 ASP 77 -6.830 3.835 -24.842 498 H GLY 78 H GLY 78 -5.188 3.592 -23.077 499 HA2 GLY 78 HA2 GLY 78 -3.489 5.693 -22.371 500 HA3 GLY 78 HA3 GLY 78 -5.139 6.248 -22.300 501 H CYS 79 H CYS 79 -3.386 6.100 -20.078 502 HA CYS 79 HA CYS 79 -4.772 4.025 -18.528 503 HB2 CYS 79 HB2 CYS 79 -2.324 5.355 -17.528 504 HB3 CYS 79 HB3 CYS 79 -3.039 3.862 -16.996 505 H GLU 80 H GLU 80 -5.675 4.577 -16.674 506 HA GLU 80 HA GLU 80 -5.339 7.233 -15.675 507 HB2 GLU 80 HB2 GLU 80 -7.677 7.849 -15.820 508 HB3 GLU 80 HB3 GLU 80 -7.047 7.488 -17.423 509 HG2 GLU 80 HG2 GLU 80 -8.527 5.870 -17.742 510 HG3 GLU 80 HG3 GLU 80 -8.174 5.142 -16.176 511 H GLU 81 H GLU 81 -5.754 7.442 -13.511 512 HA GLU 81 HA GLU 81 -5.798 5.195 -11.925 513 HB2 GLU 81 HB2 GLU 81 -6.610 6.918 -10.149 514 HB3 GLU 81 HB3 GLU 81 -5.034 7.119 -10.877 515 HG2 GLU 81 HG2 GLU 81 -6.800 8.499 -12.512 516 HG3 GLU 81 HG3 GLU 81 -7.222 8.884 -10.861 517 H ASP 82 H ASP 82 -7.346 3.785 -11.727 518 HA ASP 82 HA ASP 82 -10.029 4.630 -12.233 519 HB2 ASP 82 HB2 ASP 82 -10.579 2.191 -12.533 520 HB3 ASP 82 HB3 ASP 82 -9.426 2.845 -13.695 521 HA PRO 83 HA PRO 83 -10.588 4.621 -7.787 522 HB2 PRO 83 HB2 PRO 83 -13.302 5.339 -8.799 523 HB3 PRO 83 HB3 PRO 83 -12.351 6.138 -7.541 524 HG2 PRO 83 HG2 PRO 83 -12.549 7.271 -9.898 525 HG3 PRO 83 HG3 PRO 83 -10.962 7.178 -9.117 526 HD2 PRO 83 HD2 PRO 83 -12.092 5.423 -11.270 527 HD3 PRO 83 HD3 PRO 83 -10.485 6.162 -11.173 528 H ALA 84 H ALA 84 -11.996 3.030 -10.332 529 HA ALA 84 HA ALA 84 -13.782 1.271 -9.119 530 HB1 ALA 84 HB1 ALA 84 -13.222 -0.004 -11.315 531 HB2 ALA 84 HB2 ALA 84 -12.219 1.411 -11.655 532 HB3 ALA 84 HB3 ALA 84 -13.961 1.598 -11.457 533 H CYS 85 H CYS 85 -10.480 1.616 -9.300 534 HA CYS 85 HA CYS 85 -10.060 -1.015 -8.262 535 HB2 CYS 85 HB2 CYS 85 -8.854 -0.016 -10.540 536 HB3 CYS 85 HB3 CYS 85 -7.624 -0.061 -9.271 537 H ASP 86 H ASP 86 -9.009 2.398 -7.598 538 HA ASP 86 HA ASP 86 -8.435 1.738 -4.886 539 HB2 ASP 86 HB2 ASP 86 -6.762 0.338 -6.261 540 HB3 ASP 86 HB3 ASP 86 -5.905 1.866 -6.405 541 HA PRO 87 HA PRO 87 -5.833 5.613 -5.470 542 HB2 PRO 87 HB2 PRO 87 -5.876 6.825 -7.967 543 HB3 PRO 87 HB3 PRO 87 -4.669 5.711 -7.367 544 HG2 PRO 87 HG2 PRO 87 -6.422 5.217 -9.462 545 HG3 PRO 87 HG3 PRO 87 -5.448 4.052 -8.575 546 HD2 PRO 87 HD2 PRO 87 -8.312 4.747 -8.183 547 HD3 PRO 87 HD3 PRO 87 -7.526 3.166 -8.151 548 H GLU 88 H GLU 88 -7.942 6.477 -8.003 549 HA GLU 88 HA GLU 88 -8.782 8.876 -6.676 550 HB2 GLU 88 HB2 GLU 88 -8.440 8.375 -9.252 551 HB3 GLU 88 HB3 GLU 88 -10.050 7.691 -9.106 552 HG2 GLU 88 HG2 GLU 88 -10.980 9.802 -8.430 553 HG3 GLU 88 HG3 GLU 88 -9.380 10.540 -8.408 554 H ALA 89 H ALA 89 -9.248 5.890 -6.354 555 HA ALA 89 HA ALA 89 -11.870 5.135 -6.483 556 HB1 ALA 89 HB1 ALA 89 -10.451 3.404 -6.701 557 HB2 ALA 89 HB2 ALA 89 -10.808 3.232 -4.991 558 HB3 ALA 89 HB3 ALA 89 -9.332 4.032 -5.509 559 H ALA 90 H ALA 90 -12.506 3.744 -4.865 560 HA ALA 90 HA ALA 90 -13.511 4.952 -2.449 561 HB1 ALA 90 HB1 ALA 90 -15.236 3.152 -2.725 562 HB2 ALA 90 HB2 ALA 90 -14.430 2.707 -4.242 563 HB3 ALA 90 HB3 ALA 90 -15.204 4.295 -4.075 564 H PHE 91 H PHE 91 -14.270 2.325 -1.409 565 HA PHE 91 HA PHE 91 -11.666 1.446 -0.467 566 HB2 PHE 91 HB2 PHE 91 -13.126 -0.363 0.683 567 HB3 PHE 91 HB3 PHE 91 -13.328 1.299 1.224 568 HD1 PHE 91 HD1 PHE 91 -15.238 2.638 0.062 569 HD2 PHE 91 HD2 PHE 91 -14.976 -1.609 0.122 570 HE1 PHE 91 HE1 PHE 91 -17.654 2.488 -0.375 571 HE2 PHE 91 HE2 PHE 91 -17.393 -1.767 -0.314 572 HZ PHE 91 HZ PHE 91 -18.735 0.283 -0.561 573 H SER 92 H SER 92 -11.504 1.327 -2.975 574 HA SER 92 HA SER 92 -12.256 -1.291 -4.016 575 HB2 SER 92 HB2 SER 92 -12.981 0.419 -5.488 576 HB3 SER 92 HB3 SER 92 -11.476 1.343 -5.329 577 HG SER 92 HG SER 92 -12.108 -0.688 -7.024 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 0.016 -15.675 -21.506 2 H2 ALA 1 H2 ALA 1 -0.739 -15.810 -23.040 3 H3 ALA 1 H3 ALA 1 0.929 -16.171 -22.870 4 HA ALA 1 HA ALA 1 -1.407 -17.738 -22.271 5 HB1 ALA 1 HB1 ALA 1 0.954 -19.264 -22.528 6 HB2 ALA 1 HB2 ALA 1 1.047 -17.959 -23.710 7 HB3 ALA 1 HB3 ALA 1 -0.340 -19.047 -23.706 8 H VAL 2 H VAL 2 1.668 -16.881 -20.760 9 HA VAL 2 HA VAL 2 0.686 -17.724 -18.190 10 HB VAL 2 HB VAL 2 2.703 -19.194 -17.753 11 HG11 VAL 2 HG11 VAL 2 0.289 -19.916 -18.277 12 HG12 VAL 2 HG12 VAL 2 1.569 -21.126 -18.376 13 HG13 VAL 2 HG13 VAL 2 0.932 -20.392 -19.848 14 HG21 VAL 2 HG21 VAL 2 4.147 -19.790 -19.372 15 HG22 VAL 2 HG22 VAL 2 3.582 -18.321 -20.167 16 HG23 VAL 2 HG23 VAL 2 2.887 -19.882 -20.603 17 H LEU 3 H LEU 3 2.982 -17.737 -16.730 18 HA LEU 3 HA LEU 3 3.633 -15.022 -16.620 19 HB2 LEU 3 HB2 LEU 3 4.137 -17.433 -15.037 20 HB3 LEU 3 HB3 LEU 3 5.419 -16.240 -14.957 21 HG LEU 3 HG LEU 3 4.240 -15.365 -13.266 22 HD11 LEU 3 HD11 LEU 3 2.345 -14.560 -15.441 23 HD12 LEU 3 HD12 LEU 3 3.909 -13.795 -15.145 24 HD13 LEU 3 HD13 LEU 3 2.631 -13.709 -13.921 25 HD21 LEU 3 HD21 LEU 3 1.929 -15.900 -12.764 26 HD22 LEU 3 HD22 LEU 3 2.806 -17.377 -13.165 27 HD23 LEU 3 HD23 LEU 3 1.727 -16.643 -14.351 28 H ASP 4 H ASP 4 5.830 -14.230 -16.328 29 HA ASP 4 HA ASP 4 7.418 -14.938 -18.562 30 HB2 ASP 4 HB2 ASP 4 6.985 -12.566 -17.682 31 HB3 ASP 4 HB3 ASP 4 8.193 -12.941 -16.466 32 H LEU 5 H LEU 5 8.425 -14.273 -15.314 33 HA LEU 5 HA LEU 5 10.489 -16.190 -15.342 34 HB2 LEU 5 HB2 LEU 5 10.904 -15.534 -13.017 35 HB3 LEU 5 HB3 LEU 5 10.771 -14.150 -14.057 36 HG LEU 5 HG LEU 5 9.530 -13.326 -12.400 37 HD11 LEU 5 HD11 LEU 5 7.062 -14.289 -12.514 38 HD12 LEU 5 HD12 LEU 5 7.668 -14.867 -14.040 39 HD13 LEU 5 HD13 LEU 5 7.721 -13.150 -13.674 40 HD21 LEU 5 HD21 LEU 5 8.699 -16.009 -11.424 41 HD22 LEU 5 HD22 LEU 5 8.649 -14.477 -10.568 42 HD23 LEU 5 HD23 LEU 5 10.197 -15.216 -10.969 43 H ASP 6 H ASP 6 8.097 -15.893 -12.901 44 HA ASP 6 HA ASP 6 7.046 -18.479 -13.188 45 HB2 ASP 6 HB2 ASP 6 9.224 -17.997 -11.483 46 HB3 ASP 6 HB3 ASP 6 7.812 -18.172 -10.453 47 H VAL 7 H VAL 7 7.281 -15.853 -10.785 48 HA VAL 7 HA VAL 7 4.355 -15.897 -10.669 49 HB VAL 7 HB VAL 7 4.394 -15.338 -8.332 50 HG11 VAL 7 HG11 VAL 7 5.669 -17.369 -7.468 51 HG12 VAL 7 HG12 VAL 7 6.123 -17.661 -9.146 52 HG13 VAL 7 HG13 VAL 7 4.422 -17.669 -8.679 53 HG21 VAL 7 HG21 VAL 7 6.622 -15.315 -7.145 54 HG22 VAL 7 HG22 VAL 7 6.291 -13.921 -8.173 55 HG23 VAL 7 HG23 VAL 7 7.374 -15.193 -8.736 56 H ARG 8 H ARG 8 6.897 -13.910 -11.476 57 HA ARG 8 HA ARG 8 5.671 -11.463 -10.697 58 HB2 ARG 8 HB2 ARG 8 8.249 -12.197 -12.003 59 HB3 ARG 8 HB3 ARG 8 7.705 -10.550 -11.965 60 HG2 ARG 8 HG2 ARG 8 7.704 -10.519 -9.586 61 HG3 ARG 8 HG3 ARG 8 8.039 -12.253 -9.544 62 HD2 ARG 8 HD2 ARG 8 10.231 -11.960 -10.287 63 HD3 ARG 8 HD3 ARG 8 9.897 -10.361 -10.937 64 HE ARG 8 HE ARG 8 9.944 -9.483 -8.730 65 HH11 ARG 8 HH11 ARG 8 10.925 -12.838 -8.912 66 HH12 ARG 8 HH12 ARG 8 11.724 -12.807 -7.379 67 HH21 ARG 8 HH21 ARG 8 10.990 -9.456 -6.720 68 HH22 ARG 8 HH22 ARG 8 11.761 -10.893 -6.134 69 H THR 9 H THR 9 6.273 -9.787 -12.711 70 HA THR 9 HA THR 9 4.323 -10.417 -14.708 71 HB THR 9 HB THR 9 5.216 -7.910 -15.267 72 HG1 THR 9 HG1 THR 9 6.572 -7.577 -13.646 73 HG21 THR 9 HG21 THR 9 3.016 -8.965 -13.636 74 HG22 THR 9 HG22 THR 9 2.993 -7.813 -14.969 75 HG23 THR 9 HG23 THR 9 3.439 -7.276 -13.356 76 H CYS 10 H CYS 10 5.102 -9.111 -16.947 77 HA CYS 10 HA CYS 10 6.931 -10.866 -18.141 78 HB2 CYS 10 HB2 CYS 10 5.123 -9.304 -19.205 79 HB3 CYS 10 HB3 CYS 10 6.451 -8.158 -19.328 80 H LEU 11 H LEU 11 7.734 -7.448 -18.548 81 HA LEU 11 HA LEU 11 10.359 -8.011 -17.338 82 HB2 LEU 11 HB2 LEU 11 9.749 -7.236 -20.024 83 HB3 LEU 11 HB3 LEU 11 10.656 -5.945 -19.257 84 HG LEU 11 HG LEU 11 12.274 -7.843 -18.521 85 HD11 LEU 11 HD11 LEU 11 10.548 -9.549 -19.439 86 HD12 LEU 11 HD12 LEU 11 12.271 -9.830 -19.691 87 HD13 LEU 11 HD13 LEU 11 11.281 -9.181 -21.000 88 HD21 LEU 11 HD21 LEU 11 13.282 -6.369 -19.929 89 HD22 LEU 11 HD22 LEU 11 12.013 -6.487 -21.141 90 HD23 LEU 11 HD23 LEU 11 13.215 -7.765 -21.003 91 HA PRO 12 HA PRO 12 9.125 -4.857 -14.472 92 HB2 PRO 12 HB2 PRO 12 12.036 -4.474 -14.142 93 HB3 PRO 12 HB3 PRO 12 10.791 -4.808 -12.940 94 HG2 PRO 12 HG2 PRO 12 12.581 -6.651 -13.877 95 HG3 PRO 12 HG3 PRO 12 11.022 -7.025 -13.131 96 HD2 PRO 12 HD2 PRO 12 11.861 -7.301 -15.919 97 HD3 PRO 12 HD3 PRO 12 10.428 -7.963 -15.115 98 H CYS 13 H CYS 13 9.661 -2.617 -13.941 99 HA CYS 13 HA CYS 13 10.860 -1.052 -16.016 100 HB2 CYS 13 HB2 CYS 13 8.478 -1.429 -16.606 101 HB3 CYS 13 HB3 CYS 13 8.022 -0.603 -15.126 102 H GLY 14 H GLY 14 9.857 1.371 -15.178 103 HA2 GLY 14 HA2 GLY 14 10.437 3.114 -13.726 104 HA3 GLY 14 HA3 GLY 14 9.872 1.992 -12.517 105 HA PRO 15 HA PRO 15 14.221 2.578 -11.414 106 HB2 PRO 15 HB2 PRO 15 13.853 2.854 -8.813 107 HB3 PRO 15 HB3 PRO 15 13.269 4.111 -9.921 108 HG2 PRO 15 HG2 PRO 15 11.719 1.845 -8.714 109 HG3 PRO 15 HG3 PRO 15 11.341 3.581 -8.675 110 HD2 PRO 15 HD2 PRO 15 10.290 1.903 -10.527 111 HD3 PRO 15 HD3 PRO 15 10.627 3.597 -10.900 112 H GLY 16 H GLY 16 14.507 0.308 -12.176 113 HA2 GLY 16 HA2 GLY 16 15.720 -1.600 -11.385 114 HA3 GLY 16 HA3 GLY 16 14.834 -1.492 -9.872 115 H GLY 17 H GLY 17 12.357 -1.694 -10.261 116 HA2 GLY 17 HA2 GLY 17 11.316 -3.138 -12.367 117 HA3 GLY 17 HA3 GLY 17 11.814 -4.302 -11.158 118 H LYS 18 H LYS 18 10.649 -1.106 -10.698 119 HA LYS 18 HA LYS 18 8.778 -1.710 -8.705 120 HB2 LYS 18 HB2 LYS 18 9.782 0.574 -10.186 121 HB3 LYS 18 HB3 LYS 18 8.107 0.723 -9.697 122 HG2 LYS 18 HG2 LYS 18 9.960 1.624 -8.201 123 HG3 LYS 18 HG3 LYS 18 8.597 0.765 -7.498 124 HD2 LYS 18 HD2 LYS 18 9.886 -1.253 -7.403 125 HD3 LYS 18 HD3 LYS 18 11.244 -0.478 -8.190 126 HE2 LYS 18 HE2 LYS 18 11.958 -0.219 -6.055 127 HE3 LYS 18 HE3 LYS 18 10.917 1.203 -6.137 128 HZ1 LYS 18 HZ1 LYS 18 10.326 0.108 -4.174 129 HZ2 LYS 18 HZ2 LYS 18 10.332 -1.419 -4.901 130 HZ3 LYS 18 HZ3 LYS 18 9.108 -0.312 -5.270 131 H GLY 19 H GLY 19 8.758 -1.567 -12.065 132 HA2 GLY 19 HA2 GLY 19 6.021 -2.367 -12.225 133 HA3 GLY 19 HA3 GLY 19 6.438 -0.880 -13.063 134 H ARG 20 H ARG 20 5.956 -1.775 -14.984 135 HA ARG 20 HA ARG 20 8.067 -3.140 -16.323 136 HB2 ARG 20 HB2 ARG 20 6.943 -5.117 -16.944 137 HB3 ARG 20 HB3 ARG 20 6.774 -4.981 -15.202 138 HG2 ARG 20 HG2 ARG 20 4.571 -5.026 -15.377 139 HG3 ARG 20 HG3 ARG 20 4.633 -3.666 -16.494 140 HD2 ARG 20 HD2 ARG 20 3.953 -5.012 -18.106 141 HD3 ARG 20 HD3 ARG 20 5.512 -5.820 -17.976 142 HE ARG 20 HE ARG 20 4.433 -7.347 -16.390 143 HH11 ARG 20 HH11 ARG 20 2.384 -5.558 -18.576 144 HH12 ARG 20 HH12 ARG 20 1.117 -6.733 -18.531 145 HH21 ARG 20 HH21 ARG 20 2.778 -8.891 -16.344 146 HH22 ARG 20 HH22 ARG 20 1.338 -8.622 -17.257 147 H CYS 21 H CYS 21 7.226 -3.639 -18.690 148 HA CYS 21 HA CYS 21 5.663 -1.292 -19.522 149 HB2 CYS 21 HB2 CYS 21 7.234 -0.886 -21.042 150 HB3 CYS 21 HB3 CYS 21 8.132 -2.247 -20.414 151 H PHE 22 H PHE 22 3.679 -1.620 -20.530 152 HA PHE 22 HA PHE 22 2.847 -4.383 -20.697 153 HB2 PHE 22 HB2 PHE 22 1.428 -1.732 -20.586 154 HB3 PHE 22 HB3 PHE 22 0.577 -3.232 -20.885 155 HD1 PHE 22 HD1 PHE 22 3.433 -2.523 -18.583 156 HD2 PHE 22 HD2 PHE 22 -0.684 -3.584 -18.969 157 HE1 PHE 22 HE1 PHE 22 3.283 -2.893 -16.157 158 HE2 PHE 22 HE2 PHE 22 -0.811 -3.962 -16.541 159 HZ PHE 22 HZ PHE 22 1.179 -3.622 -15.138 160 H GLY 23 H GLY 23 4.089 -2.244 -22.963 161 HA2 GLY 23 HA2 GLY 23 3.830 -3.686 -25.175 162 HA3 GLY 23 HA3 GLY 23 2.185 -3.113 -25.037 163 HA PRO 24 HA PRO 24 3.532 0.350 -27.397 164 HB2 PRO 24 HB2 PRO 24 1.552 2.088 -27.033 165 HB3 PRO 24 HB3 PRO 24 1.248 0.501 -27.750 166 HG2 PRO 24 HG2 PRO 24 0.636 1.488 -25.022 167 HG3 PRO 24 HG3 PRO 24 -0.214 0.314 -26.028 168 HD2 PRO 24 HD2 PRO 24 1.600 -0.234 -23.927 169 HD3 PRO 24 HD3 PRO 24 0.882 -1.402 -25.059 170 H SER 25 H SER 25 5.467 0.819 -26.041 171 HA SER 25 HA SER 25 6.792 2.272 -24.849 172 HB2 SER 25 HB2 SER 25 5.594 3.716 -26.743 173 HB3 SER 25 HB3 SER 25 4.820 4.473 -25.338 174 HG SER 25 HG SER 25 6.683 5.333 -24.780 175 H ILE 26 H ILE 26 4.328 0.989 -23.602 176 HA ILE 26 HA ILE 26 3.732 2.939 -21.525 177 HB ILE 26 HB ILE 26 2.030 1.463 -22.907 178 HG12 ILE 26 HG12 ILE 26 1.533 1.737 -19.968 179 HG13 ILE 26 HG13 ILE 26 1.711 3.174 -21.003 180 HG21 ILE 26 HG21 ILE 26 1.300 -0.480 -21.662 181 HG22 ILE 26 HG22 ILE 26 2.595 -0.217 -20.486 182 HG23 ILE 26 HG23 ILE 26 2.989 -0.666 -22.151 183 HD11 ILE 26 HD11 ILE 26 -0.071 1.244 -22.207 184 HD12 ILE 26 HD12 ILE 26 -0.373 2.930 -21.783 185 HD13 ILE 26 HD13 ILE 26 -0.612 1.665 -20.578 186 H CYS 27 H CYS 27 3.540 2.248 -19.345 187 HA CYS 27 HA CYS 27 4.917 -0.083 -18.466 188 HB2 CYS 27 HB2 CYS 27 6.208 2.444 -18.726 189 HB3 CYS 27 HB3 CYS 27 6.176 1.958 -17.051 190 H CYS 28 H CYS 28 4.485 -0.561 -16.321 191 HA CYS 28 HA CYS 28 2.851 1.285 -14.799 192 HB2 CYS 28 HB2 CYS 28 1.654 -0.608 -16.316 193 HB3 CYS 28 HB3 CYS 28 1.918 -1.520 -14.836 194 H GLY 29 H GLY 29 3.493 1.300 -12.702 195 HA2 GLY 29 HA2 GLY 29 4.992 -0.999 -11.768 196 HA3 GLY 29 HA3 GLY 29 5.384 0.617 -11.334 197 H ASP 30 H ASP 30 5.009 -1.073 -9.256 198 HA ASP 30 HA ASP 30 2.296 -1.171 -8.424 199 HB2 ASP 30 HB2 ASP 30 4.041 -2.809 -7.705 200 HB3 ASP 30 HB3 ASP 30 4.778 -1.535 -6.742 201 H GLU 31 H GLU 31 4.921 0.268 -6.538 202 HA GLU 31 HA GLU 31 3.247 2.354 -5.553 203 HB2 GLU 31 HB2 GLU 31 5.312 3.138 -4.447 204 HB3 GLU 31 HB3 GLU 31 5.054 1.418 -4.172 205 HG2 GLU 31 HG2 GLU 31 6.998 0.904 -5.103 206 HG3 GLU 31 HG3 GLU 31 6.612 1.826 -6.561 207 H LEU 32 H LEU 32 4.685 1.743 -8.377 208 HA LEU 32 HA LEU 32 5.774 4.261 -9.115 209 HB2 LEU 32 HB2 LEU 32 5.968 1.571 -9.695 210 HB3 LEU 32 HB3 LEU 32 5.367 2.302 -11.122 211 HG LEU 32 HG LEU 32 7.972 2.607 -9.824 212 HD11 LEU 32 HD11 LEU 32 7.039 1.032 -11.770 213 HD12 LEU 32 HD12 LEU 32 8.725 1.575 -11.644 214 HD13 LEU 32 HD13 LEU 32 7.602 2.424 -12.717 215 HD21 LEU 32 HD21 LEU 32 7.344 4.361 -12.119 216 HD22 LEU 32 HD22 LEU 32 8.553 4.558 -10.858 217 HD23 LEU 32 HD23 LEU 32 6.858 4.904 -10.512 218 H GLY 33 H GLY 33 2.794 2.602 -9.472 219 HA2 GLY 33 HA2 GLY 33 0.773 3.323 -10.347 220 HA3 GLY 33 HA3 GLY 33 1.560 4.831 -10.738 221 H CYS 34 H CYS 34 0.302 4.662 -12.786 222 HA CYS 34 HA CYS 34 1.658 2.840 -14.642 223 HB2 CYS 34 HB2 CYS 34 -1.038 2.894 -14.112 224 HB3 CYS 34 HB3 CYS 34 -0.904 3.831 -15.599 225 H PHE 35 H PHE 35 2.451 3.583 -16.493 226 HA PHE 35 HA PHE 35 1.996 6.406 -17.199 227 HB2 PHE 35 HB2 PHE 35 4.683 5.289 -17.731 228 HB3 PHE 35 HB3 PHE 35 4.206 6.929 -17.375 229 HD1 PHE 35 HD1 PHE 35 4.579 3.604 -15.753 230 HD2 PHE 35 HD2 PHE 35 4.699 7.839 -15.351 231 HE1 PHE 35 HE1 PHE 35 5.441 3.357 -13.469 232 HE2 PHE 35 HE2 PHE 35 5.569 7.594 -13.061 233 HZ PHE 35 HZ PHE 35 5.948 5.346 -12.127 234 H VAL 36 H VAL 36 2.581 6.891 -19.433 235 HA VAL 36 HA VAL 36 2.755 4.584 -21.196 236 HB VAL 36 HB VAL 36 0.854 6.785 -21.923 237 HG11 VAL 36 HG11 VAL 36 0.750 3.953 -22.877 238 HG12 VAL 36 HG12 VAL 36 1.998 5.032 -23.513 239 HG13 VAL 36 HG13 VAL 36 0.286 5.439 -23.706 240 HG21 VAL 36 HG21 VAL 36 0.183 5.585 -19.768 241 HG22 VAL 36 HG22 VAL 36 -0.041 4.164 -20.773 242 HG23 VAL 36 HG23 VAL 36 -0.995 5.610 -21.077 243 H GLY 37 H GLY 37 4.772 5.073 -21.689 244 HA2 GLY 37 HA2 GLY 37 6.297 5.980 -23.217 245 HA3 GLY 37 HA3 GLY 37 5.132 7.235 -23.605 246 H THR 38 H THR 38 5.266 7.240 -20.332 247 HA THR 38 HA THR 38 6.698 9.671 -20.197 248 HB THR 38 HB THR 38 6.361 9.596 -17.840 249 HG1 THR 38 HG1 THR 38 6.072 6.818 -18.202 250 HG21 THR 38 HG21 THR 38 4.024 8.724 -17.541 251 HG22 THR 38 HG22 THR 38 4.085 8.215 -19.230 252 HG23 THR 38 HG23 THR 38 4.240 9.921 -18.817 253 H ALA 39 H ALA 39 8.511 9.848 -18.415 254 HA ALA 39 HA ALA 39 10.816 8.625 -19.442 255 HB1 ALA 39 HB1 ALA 39 11.922 9.993 -18.049 256 HB2 ALA 39 HB2 ALA 39 10.991 9.476 -16.641 257 HB3 ALA 39 HB3 ALA 39 10.332 10.691 -17.737 258 H GLU 40 H GLU 40 8.909 7.904 -16.545 259 HA GLU 40 HA GLU 40 10.523 5.646 -15.837 260 HB2 GLU 40 HB2 GLU 40 8.262 7.098 -14.715 261 HB3 GLU 40 HB3 GLU 40 8.128 5.363 -14.504 262 HG2 GLU 40 HG2 GLU 40 9.267 5.876 -12.613 263 HG3 GLU 40 HG3 GLU 40 10.627 5.608 -13.703 264 H ALA 41 H ALA 41 8.687 5.973 -18.456 265 HA ALA 41 HA ALA 41 7.631 3.243 -18.301 266 HB1 ALA 41 HB1 ALA 41 6.536 5.467 -19.967 267 HB2 ALA 41 HB2 ALA 41 5.921 5.018 -18.382 268 HB3 ALA 41 HB3 ALA 41 5.822 3.880 -19.717 269 H LEU 42 H LEU 42 9.929 5.073 -19.764 270 HA LEU 42 HA LEU 42 9.805 4.296 -22.431 271 HB2 LEU 42 HB2 LEU 42 12.272 4.813 -22.399 272 HB3 LEU 42 HB3 LEU 42 11.191 6.103 -21.935 273 HG LEU 42 HG LEU 42 12.139 6.318 -19.925 274 HD11 LEU 42 HD11 LEU 42 10.997 4.174 -19.205 275 HD12 LEU 42 HD12 LEU 42 12.440 4.639 -18.317 276 HD13 LEU 42 HD13 LEU 42 12.531 3.369 -19.535 277 HD21 LEU 42 HD21 LEU 42 14.410 4.862 -19.816 278 HD22 LEU 42 HD22 LEU 42 14.234 6.377 -20.700 279 HD23 LEU 42 HD23 LEU 42 14.077 4.840 -21.546 280 H ARG 43 H ARG 43 10.470 2.467 -19.685 281 HA ARG 43 HA ARG 43 12.416 0.685 -20.368 282 HB2 ARG 43 HB2 ARG 43 10.394 0.879 -18.463 283 HB3 ARG 43 HB3 ARG 43 10.274 -0.720 -19.167 284 HG2 ARG 43 HG2 ARG 43 11.714 -0.692 -17.196 285 HG3 ARG 43 HG3 ARG 43 12.602 -1.150 -18.646 286 HD2 ARG 43 HD2 ARG 43 13.802 0.792 -18.688 287 HD3 ARG 43 HD3 ARG 43 12.528 1.727 -17.904 288 HE ARG 43 HE ARG 43 13.395 1.143 -15.851 289 HH11 ARG 43 HH11 ARG 43 14.928 -0.750 -18.352 290 HH12 ARG 43 HH12 ARG 43 16.163 -1.361 -17.304 291 HH21 ARG 43 HH21 ARG 43 15.012 0.335 -14.473 292 HH22 ARG 43 HH22 ARG 43 16.211 -0.747 -15.100 293 H CYS 44 H CYS 44 9.391 1.012 -21.957 294 HA CYS 44 HA CYS 44 9.102 -1.635 -22.824 295 HB2 CYS 44 HB2 CYS 44 7.627 0.698 -23.051 296 HB3 CYS 44 HB3 CYS 44 8.060 0.308 -24.708 297 H GLN 45 H GLN 45 11.584 0.411 -23.377 298 HA GLN 45 HA GLN 45 12.121 0.024 -26.105 299 HB2 GLN 45 HB2 GLN 45 13.523 1.024 -23.728 300 HB3 GLN 45 HB3 GLN 45 14.573 0.290 -24.924 301 HG2 GLN 45 HG2 GLN 45 14.602 2.265 -25.934 302 HG3 GLN 45 HG3 GLN 45 12.946 1.922 -26.432 303 HE21 GLN 45 HE21 GLN 45 14.677 3.088 -23.564 304 HE22 GLN 45 HE22 GLN 45 13.584 4.377 -23.223 305 H GLU 46 H GLU 46 11.920 -1.933 -23.497 306 HA GLU 46 HA GLU 46 13.895 -3.940 -24.213 307 HB2 GLU 46 HB2 GLU 46 12.917 -5.264 -22.389 308 HB3 GLU 46 HB3 GLU 46 13.314 -3.643 -21.833 309 HG2 GLU 46 HG2 GLU 46 11.229 -4.065 -20.897 310 HG3 GLU 46 HG3 GLU 46 10.867 -3.080 -22.310 311 H GLU 47 H GLU 47 10.728 -2.962 -24.977 312 HA GLU 47 HA GLU 47 9.633 -5.464 -25.757 313 HB2 GLU 47 HB2 GLU 47 8.289 -3.425 -25.280 314 HB3 GLU 47 HB3 GLU 47 8.920 -2.701 -26.752 315 HG2 GLU 47 HG2 GLU 47 7.925 -5.048 -27.694 316 HG3 GLU 47 HG3 GLU 47 6.808 -4.689 -26.382 317 H ASN 48 H ASN 48 12.284 -3.945 -26.969 318 HA ASN 48 HA ASN 48 11.898 -4.054 -29.736 319 HB2 ASN 48 HB2 ASN 48 14.043 -3.505 -27.930 320 HB3 ASN 48 HB3 ASN 48 14.618 -4.635 -29.153 321 HD21 ASN 48 HD21 ASN 48 14.174 -1.445 -28.418 322 HD22 ASN 48 HD22 ASN 48 14.254 -0.778 -30.010 323 H TYR 49 H TYR 49 11.783 -6.495 -27.535 324 HA TYR 49 HA TYR 49 11.850 -8.552 -29.523 325 HB2 TYR 49 HB2 TYR 49 13.541 -9.945 -28.292 326 HB3 TYR 49 HB3 TYR 49 14.230 -8.516 -29.065 327 HD1 TYR 49 HD1 TYR 49 14.732 -6.494 -27.630 328 HD2 TYR 49 HD2 TYR 49 13.765 -10.291 -25.975 329 HE1 TYR 49 HE1 TYR 49 15.709 -5.800 -25.484 330 HE2 TYR 49 HE2 TYR 49 14.739 -9.607 -23.823 331 HH TYR 49 HH TYR 49 15.160 -7.327 -22.634 332 H LEU 50 H LEU 50 9.987 -9.524 -29.015 333 HA LEU 50 HA LEU 50 9.154 -9.640 -26.217 334 HB2 LEU 50 HB2 LEU 50 7.814 -9.239 -28.693 335 HB3 LEU 50 HB3 LEU 50 7.171 -10.697 -27.963 336 HG LEU 50 HG LEU 50 5.849 -8.741 -27.349 337 HD11 LEU 50 HD11 LEU 50 6.375 -8.942 -24.753 338 HD12 LEU 50 HD12 LEU 50 7.322 -10.318 -25.322 339 HD13 LEU 50 HD13 LEU 50 5.594 -10.236 -25.662 340 HD21 LEU 50 HD21 LEU 50 6.739 -6.937 -26.052 341 HD22 LEU 50 HD22 LEU 50 7.729 -7.111 -27.502 342 HD23 LEU 50 HD23 LEU 50 8.316 -7.720 -25.954 343 HA PRO 51 HA PRO 51 10.783 -13.880 -26.201 344 HB2 PRO 51 HB2 PRO 51 9.428 -13.615 -23.547 345 HB3 PRO 51 HB3 PRO 51 10.998 -14.332 -23.941 346 HG2 PRO 51 HG2 PRO 51 10.974 -11.937 -22.894 347 HG3 PRO 51 HG3 PRO 51 11.982 -12.243 -24.329 348 HD2 PRO 51 HD2 PRO 51 9.295 -10.907 -24.172 349 HD3 PRO 51 HD3 PRO 51 10.749 -10.402 -25.060 350 H SER 52 H SER 52 9.549 -15.910 -24.973 351 HA SER 52 HA SER 52 7.068 -16.156 -26.480 352 HB2 SER 52 HB2 SER 52 7.391 -18.617 -25.441 353 HB3 SER 52 HB3 SER 52 8.186 -18.087 -26.922 354 HG SER 52 HG SER 52 10.059 -17.972 -25.902 355 HA PRO 53 HA PRO 53 5.437 -16.980 -22.112 356 HB2 PRO 53 HB2 PRO 53 7.040 -17.203 -20.007 357 HB3 PRO 53 HB3 PRO 53 6.958 -18.495 -21.211 358 HG2 PRO 53 HG2 PRO 53 9.064 -16.435 -20.786 359 HG3 PRO 53 HG3 PRO 53 9.226 -18.115 -21.323 360 HD2 PRO 53 HD2 PRO 53 9.178 -15.810 -22.962 361 HD3 PRO 53 HD3 PRO 53 9.087 -17.498 -23.491 362 H CYS 54 H CYS 54 4.683 -14.772 -22.454 363 HA CYS 54 HA CYS 54 5.803 -12.867 -20.558 364 HB2 CYS 54 HB2 CYS 54 6.056 -12.165 -22.936 365 HB3 CYS 54 HB3 CYS 54 4.304 -12.213 -23.097 366 H GLN 55 H GLN 55 4.140 -11.303 -19.669 367 HA GLN 55 HA GLN 55 1.480 -12.538 -19.542 368 HB2 GLN 55 HB2 GLN 55 3.146 -12.965 -17.541 369 HB3 GLN 55 HB3 GLN 55 2.637 -11.350 -17.063 370 HG2 GLN 55 HG2 GLN 55 0.413 -13.087 -17.781 371 HG3 GLN 55 HG3 GLN 55 1.366 -13.697 -16.435 372 HE21 GLN 55 HE21 GLN 55 2.078 -11.608 -15.013 373 HE22 GLN 55 HE22 GLN 55 0.714 -10.703 -14.462 374 H SER 56 H SER 56 -0.207 -11.110 -18.713 375 HA SER 56 HA SER 56 -0.049 -8.436 -18.162 376 HB2 SER 56 HB2 SER 56 1.029 -8.071 -20.312 377 HB3 SER 56 HB3 SER 56 -0.297 -8.888 -21.139 378 HG SER 56 HG SER 56 -1.348 -7.081 -21.108 379 H GLY 57 H GLY 57 -2.137 -7.225 -18.688 380 HA2 GLY 57 HA2 GLY 57 -4.443 -7.146 -18.831 381 HA3 GLY 57 HA3 GLY 57 -4.439 -8.817 -19.373 382 H GLN 58 H GLN 58 -4.856 -6.664 -16.732 383 HA GLN 58 HA GLN 58 -5.366 -8.952 -14.969 384 HB2 GLN 58 HB2 GLN 58 -3.816 -6.503 -14.612 385 HB3 GLN 58 HB3 GLN 58 -4.898 -6.888 -13.286 386 HG2 GLN 58 HG2 GLN 58 -3.429 -9.186 -14.270 387 HG3 GLN 58 HG3 GLN 58 -2.391 -7.901 -13.671 388 HE21 GLN 58 HE21 GLN 58 -2.461 -10.342 -12.420 389 HE22 GLN 58 HE22 GLN 58 -3.207 -10.182 -10.870 390 H LYS 59 H LYS 59 -6.960 -8.631 -13.379 391 HA LYS 59 HA LYS 59 -9.412 -8.385 -13.757 392 HB2 LYS 59 HB2 LYS 59 -9.950 -7.039 -11.724 393 HB3 LYS 59 HB3 LYS 59 -8.733 -8.279 -11.450 394 HG2 LYS 59 HG2 LYS 59 -7.353 -5.946 -12.207 395 HG3 LYS 59 HG3 LYS 59 -8.568 -5.461 -11.024 396 HD2 LYS 59 HD2 LYS 59 -7.387 -7.861 -10.092 397 HD3 LYS 59 HD3 LYS 59 -6.079 -6.792 -10.598 398 HE2 LYS 59 HE2 LYS 59 -8.205 -5.483 -9.059 399 HE3 LYS 59 HE3 LYS 59 -7.311 -6.713 -8.170 400 HZ1 LYS 59 HZ1 LYS 59 -5.433 -5.193 -9.534 401 HZ2 LYS 59 HZ2 LYS 59 -5.723 -5.219 -7.868 402 HZ3 LYS 59 HZ3 LYS 59 -6.517 -4.091 -8.846 403 HA PRO 60 HA PRO 60 -9.492 -4.896 -16.681 404 HB2 PRO 60 HB2 PRO 60 -11.963 -6.304 -17.413 405 HB3 PRO 60 HB3 PRO 60 -10.629 -5.761 -18.428 406 HG2 PRO 60 HG2 PRO 60 -11.044 -8.350 -17.708 407 HG3 PRO 60 HG3 PRO 60 -9.469 -7.680 -18.132 408 HD2 PRO 60 HD2 PRO 60 -10.491 -8.511 -15.518 409 HD3 PRO 60 HD3 PRO 60 -8.828 -8.249 -16.060 410 H CYS 61 H CYS 61 -10.994 -3.398 -17.338 411 HA CYS 61 HA CYS 61 -13.472 -2.995 -15.980 412 HB2 CYS 61 HB2 CYS 61 -12.726 -0.630 -15.207 413 HB3 CYS 61 HB3 CYS 61 -12.382 -2.035 -14.215 414 H GLY 62 H GLY 62 -14.678 -1.095 -16.612 415 HA2 GLY 62 HA2 GLY 62 -14.374 -0.629 -19.409 416 HA3 GLY 62 HA3 GLY 62 -15.753 -0.252 -18.409 417 H SER 63 H SER 63 -12.585 0.846 -17.474 418 HA SER 63 HA SER 63 -13.351 3.525 -18.230 419 HB2 SER 63 HB2 SER 63 -12.883 2.950 -15.761 420 HB3 SER 63 HB3 SER 63 -11.205 2.873 -16.254 421 HG SER 63 HG SER 63 -12.511 5.008 -15.574 422 H GLY 64 H GLY 64 -12.360 1.713 -20.085 423 HA2 GLY 64 HA2 GLY 64 -11.028 2.147 -21.967 424 HA3 GLY 64 HA3 GLY 64 -9.969 3.085 -20.948 425 H GLY 65 H GLY 65 -10.563 0.234 -19.387 426 HA2 GLY 65 HA2 GLY 65 -9.161 -1.772 -20.557 427 HA3 GLY 65 HA3 GLY 65 -7.933 -0.710 -19.982 428 H ARG 66 H ARG 66 -7.045 -2.132 -18.611 429 HA ARG 66 HA ARG 66 -8.678 -3.423 -16.679 430 HB2 ARG 66 HB2 ARG 66 -5.692 -3.579 -16.906 431 HB3 ARG 66 HB3 ARG 66 -6.767 -4.741 -16.152 432 HG2 ARG 66 HG2 ARG 66 -6.828 -4.120 -19.089 433 HG3 ARG 66 HG3 ARG 66 -5.826 -5.393 -18.389 434 HD2 ARG 66 HD2 ARG 66 -8.169 -6.016 -17.277 435 HD3 ARG 66 HD3 ARG 66 -8.755 -5.256 -18.749 436 HE ARG 66 HE ARG 66 -7.632 -7.830 -18.516 437 HH11 ARG 66 HH11 ARG 66 -7.537 -5.051 -20.622 438 HH12 ARG 66 HH12 ARG 66 -7.213 -5.986 -22.041 439 HH21 ARG 66 HH21 ARG 66 -7.222 -9.061 -20.378 440 HH22 ARG 66 HH22 ARG 66 -7.038 -8.265 -21.905 441 H CYS 67 H CYS 67 -7.229 -3.727 -14.466 442 HA CYS 67 HA CYS 67 -7.391 -1.141 -13.256 443 HB2 CYS 67 HB2 CYS 67 -8.214 -3.163 -12.086 444 HB3 CYS 67 HB3 CYS 67 -6.572 -3.778 -12.058 445 H ALA 68 H ALA 68 -5.577 -0.956 -15.129 446 HA ALA 68 HA ALA 68 -3.106 -1.612 -15.223 447 HB1 ALA 68 HB1 ALA 68 -4.355 1.009 -15.434 448 HB2 ALA 68 HB2 ALA 68 -3.330 0.124 -16.565 449 HB3 ALA 68 HB3 ALA 68 -2.605 1.027 -15.237 450 H ALA 69 H ALA 69 -3.687 1.016 -12.692 451 HA ALA 69 HA ALA 69 -1.892 -0.353 -10.925 452 HB1 ALA 69 HB1 ALA 69 -0.370 1.585 -10.784 453 HB2 ALA 69 HB2 ALA 69 -1.171 2.285 -12.201 454 HB3 ALA 69 HB3 ALA 69 -0.289 0.756 -12.333 455 H ALA 70 H ALA 70 -2.063 0.356 -8.882 456 HA ALA 70 HA ALA 70 -3.625 1.016 -7.184 457 HB1 ALA 70 HB1 ALA 70 -2.112 2.394 -6.284 458 HB2 ALA 70 HB2 ALA 70 -3.092 3.682 -7.009 459 HB3 ALA 70 HB3 ALA 70 -1.655 3.067 -7.852 460 H GLY 71 H GLY 71 -5.353 0.747 -8.865 461 HA2 GLY 71 HA2 GLY 71 -7.333 1.502 -9.718 462 HA3 GLY 71 HA3 GLY 71 -7.163 2.865 -8.646 463 H ILE 72 H ILE 72 -6.311 1.557 -11.663 464 HA ILE 72 HA ILE 72 -6.428 4.039 -12.988 465 HB ILE 72 HB ILE 72 -3.800 2.653 -12.667 466 HG12 ILE 72 HG12 ILE 72 -4.699 4.934 -11.696 467 HG13 ILE 72 HG13 ILE 72 -3.006 4.649 -12.077 468 HG21 ILE 72 HG21 ILE 72 -4.753 3.930 -15.192 469 HG22 ILE 72 HG22 ILE 72 -3.807 2.470 -14.962 470 HG23 ILE 72 HG23 ILE 72 -3.060 4.037 -14.716 471 HD11 ILE 72 HD11 ILE 72 -4.467 5.599 -14.387 472 HD12 ILE 72 HD12 ILE 72 -2.983 6.206 -13.630 473 HD13 ILE 72 HD13 ILE 72 -4.559 6.721 -13.014 474 H CYS 73 H CYS 73 -7.942 3.306 -14.343 475 HA CYS 73 HA CYS 73 -7.719 0.633 -15.312 476 HB2 CYS 73 HB2 CYS 73 -9.891 1.607 -14.593 477 HB3 CYS 73 HB3 CYS 73 -9.848 2.642 -15.994 478 H CYS 74 H CYS 74 -6.117 0.476 -16.712 479 HA CYS 74 HA CYS 74 -6.097 2.397 -18.928 480 HB2 CYS 74 HB2 CYS 74 -4.453 3.203 -17.509 481 HB3 CYS 74 HB3 CYS 74 -3.900 1.621 -17.076 482 H SER 75 H SER 75 -5.302 1.821 -20.745 483 HA SER 75 HA SER 75 -4.348 -0.908 -21.147 484 HB2 SER 75 HB2 SER 75 -6.249 0.622 -22.939 485 HB3 SER 75 HB3 SER 75 -5.620 -0.982 -23.271 486 HG SER 75 HG SER 75 -7.142 -1.752 -22.091 487 HA PRO 76 HA PRO 76 -1.548 1.351 -23.941 488 HB2 PRO 76 HB2 PRO 76 -2.267 1.103 -26.604 489 HB3 PRO 76 HB3 PRO 76 -1.452 -0.145 -25.669 490 HG2 PRO 76 HG2 PRO 76 -4.086 -0.212 -26.744 491 HG3 PRO 76 HG3 PRO 76 -3.256 -1.448 -25.789 492 HD2 PRO 76 HD2 PRO 76 -5.247 0.547 -24.938 493 HD3 PRO 76 HD3 PRO 76 -4.788 -1.001 -24.211 494 H ASP 77 H ASP 77 -4.840 1.974 -24.846 495 HA ASP 77 HA ASP 77 -4.719 4.319 -26.291 496 HB2 ASP 77 HB2 ASP 77 -6.694 2.627 -25.351 497 HB3 ASP 77 HB3 ASP 77 -7.031 4.131 -24.502 498 H GLY 78 H GLY 78 -5.290 3.895 -22.815 499 HA2 GLY 78 HA2 GLY 78 -3.595 5.989 -22.122 500 HA3 GLY 78 HA3 GLY 78 -5.223 6.603 -22.110 501 H CYS 79 H CYS 79 -3.483 6.415 -19.834 502 HA CYS 79 HA CYS 79 -4.955 4.421 -18.307 503 HB2 CYS 79 HB2 CYS 79 -2.549 5.790 -17.241 504 HB3 CYS 79 HB3 CYS 79 -3.261 4.302 -16.695 505 H GLU 80 H GLU 80 -6.089 4.990 -16.654 506 HA GLU 80 HA GLU 80 -5.915 7.691 -15.660 507 HB2 GLU 80 HB2 GLU 80 -8.214 8.236 -16.039 508 HB3 GLU 80 HB3 GLU 80 -7.518 7.732 -17.572 509 HG2 GLU 80 HG2 GLU 80 -9.181 6.290 -17.792 510 HG3 GLU 80 HG3 GLU 80 -8.544 5.403 -16.408 511 H GLU 81 H GLU 81 -6.394 7.893 -13.545 512 HA GLU 81 HA GLU 81 -6.475 5.726 -11.890 513 HB2 GLU 81 HB2 GLU 81 -7.506 7.449 -10.233 514 HB3 GLU 81 HB3 GLU 81 -5.899 7.731 -10.866 515 HG2 GLU 81 HG2 GLU 81 -7.616 8.935 -12.677 516 HG3 GLU 81 HG3 GLU 81 -8.215 9.336 -11.088 517 H ASP 82 H ASP 82 -7.933 4.237 -11.749 518 HA ASP 82 HA ASP 82 -10.665 4.872 -12.404 519 HB2 ASP 82 HB2 ASP 82 -10.990 2.414 -12.669 520 HB3 ASP 82 HB3 ASP 82 -9.799 3.115 -13.758 521 HA PRO 83 HA PRO 83 -11.306 4.945 -7.951 522 HB2 PRO 83 HB2 PRO 83 -14.020 5.491 -9.094 523 HB3 PRO 83 HB3 PRO 83 -13.176 6.362 -7.807 524 HG2 PRO 83 HG2 PRO 83 -13.318 7.444 -10.189 525 HG3 PRO 83 HG3 PRO 83 -11.777 7.454 -9.318 526 HD2 PRO 83 HD2 PRO 83 -12.672 5.630 -11.514 527 HD3 PRO 83 HD3 PRO 83 -11.118 6.444 -11.310 528 H ALA 84 H ALA 84 -12.574 3.232 -10.526 529 HA ALA 84 HA ALA 84 -14.295 1.421 -9.283 530 HB1 ALA 84 HB1 ALA 84 -14.354 0.445 -11.395 531 HB2 ALA 84 HB2 ALA 84 -12.628 0.752 -11.642 532 HB3 ALA 84 HB3 ALA 84 -13.781 2.076 -11.788 533 H CYS 85 H CYS 85 -10.989 1.889 -9.311 534 HA CYS 85 HA CYS 85 -10.535 -0.743 -8.241 535 HB2 CYS 85 HB2 CYS 85 -9.317 0.235 -10.514 536 HB3 CYS 85 HB3 CYS 85 -8.101 0.296 -9.242 537 H ASP 86 H ASP 86 -9.661 2.708 -7.483 538 HA ASP 86 HA ASP 86 -9.146 2.003 -4.801 539 HB2 ASP 86 HB2 ASP 86 -7.382 0.648 -6.085 540 HB3 ASP 86 HB3 ASP 86 -6.554 2.198 -6.213 541 HA PRO 87 HA PRO 87 -6.731 6.012 -5.119 542 HB2 PRO 87 HB2 PRO 87 -6.519 7.209 -7.606 543 HB3 PRO 87 HB3 PRO 87 -5.371 6.107 -6.887 544 HG2 PRO 87 HG2 PRO 87 -6.899 5.602 -9.157 545 HG3 PRO 87 HG3 PRO 87 -6.021 4.422 -8.183 546 HD2 PRO 87 HD2 PRO 87 -8.912 5.153 -8.053 547 HD3 PRO 87 HD3 PRO 87 -8.166 3.555 -7.978 548 H GLU 88 H GLU 88 -8.577 6.890 -7.888 549 HA GLU 88 HA GLU 88 -9.574 9.271 -6.612 550 HB2 GLU 88 HB2 GLU 88 -8.940 8.889 -9.133 551 HB3 GLU 88 HB3 GLU 88 -10.502 8.100 -9.217 552 HG2 GLU 88 HG2 GLU 88 -11.673 10.090 -8.856 553 HG3 GLU 88 HG3 GLU 88 -10.246 10.914 -8.226 554 H ALA 89 H ALA 89 -10.013 6.267 -6.314 555 HA ALA 89 HA ALA 89 -12.601 5.437 -6.657 556 HB1 ALA 89 HB1 ALA 89 -11.664 3.679 -4.895 557 HB2 ALA 89 HB2 ALA 89 -10.170 4.450 -5.407 558 HB3 ALA 89 HB3 ALA 89 -11.217 3.703 -6.598 559 H ALA 90 H ALA 90 -13.510 4.152 -5.166 560 HA ALA 90 HA ALA 90 -14.727 5.441 -2.890 561 HB1 ALA 90 HB1 ALA 90 -15.517 3.146 -4.682 562 HB2 ALA 90 HB2 ALA 90 -16.255 4.758 -4.670 563 HB3 ALA 90 HB3 ALA 90 -16.464 3.684 -3.286 564 H PHE 91 H PHE 91 -15.604 2.868 -1.848 565 HA PHE 91 HA PHE 91 -13.140 1.982 -0.616 566 HB2 PHE 91 HB2 PHE 91 -15.853 0.643 -0.439 567 HB3 PHE 91 HB3 PHE 91 -14.517 0.520 0.702 568 HD1 PHE 91 HD1 PHE 91 -17.015 2.880 -0.687 569 HD2 PHE 91 HD2 PHE 91 -14.339 1.998 2.499 570 HE1 PHE 91 HE1 PHE 91 -17.947 4.751 0.602 571 HE2 PHE 91 HE2 PHE 91 -15.270 3.867 3.800 572 HZ PHE 91 HZ PHE 91 -17.076 5.247 2.851 573 H SER 92 H SER 92 -12.667 1.794 -3.099 574 HA SER 92 HA SER 92 -13.277 -0.868 -4.118 575 HB2 SER 92 HB2 SER 92 -13.831 0.722 -5.750 576 HB3 SER 92 HB3 SER 92 -12.430 1.748 -5.395 577 HG SER 92 HG SER 92 -11.346 0.642 -6.755 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 0.877 -6.287 -10.227 2 H2 ALA 1 H2 ALA 1 1.164 -7.639 -11.245 3 H3 ALA 1 H3 ALA 1 2.455 -6.590 -10.823 4 HA ALA 1 HA ALA 1 2.794 -7.534 -8.899 5 HB1 ALA 1 HB1 ALA 1 1.199 -7.171 -7.400 6 HB2 ALA 1 HB2 ALA 1 0.381 -8.628 -7.966 7 HB3 ALA 1 HB3 ALA 1 -0.024 -7.062 -8.666 8 H VAL 2 H VAL 2 -0.012 -9.474 -9.863 9 HA VAL 2 HA VAL 2 1.564 -11.879 -9.749 10 HB VAL 2 HB VAL 2 -1.280 -11.715 -10.717 11 HG11 VAL 2 HG11 VAL 2 0.536 -13.822 -10.405 12 HG12 VAL 2 HG12 VAL 2 -1.184 -13.928 -10.757 13 HG13 VAL 2 HG13 VAL 2 -0.614 -13.978 -9.089 14 HG21 VAL 2 HG21 VAL 2 -0.867 -10.553 -8.468 15 HG22 VAL 2 HG22 VAL 2 -0.523 -12.166 -7.847 16 HG23 VAL 2 HG23 VAL 2 -2.109 -11.803 -8.528 17 H LEU 3 H LEU 3 1.397 -13.498 -11.522 18 HA LEU 3 HA LEU 3 2.398 -12.431 -13.893 19 HB2 LEU 3 HB2 LEU 3 1.986 -15.074 -12.701 20 HB3 LEU 3 HB3 LEU 3 1.886 -15.047 -14.449 21 HG LEU 3 HG LEU 3 4.099 -15.347 -14.402 22 HD11 LEU 3 HD11 LEU 3 4.101 -12.513 -13.411 23 HD12 LEU 3 HD12 LEU 3 3.859 -13.009 -15.088 24 HD13 LEU 3 HD13 LEU 3 5.410 -13.310 -14.290 25 HD21 LEU 3 HD21 LEU 3 4.773 -14.081 -11.837 26 HD22 LEU 3 HD22 LEU 3 5.258 -15.644 -12.494 27 HD23 LEU 3 HD23 LEU 3 3.680 -15.460 -11.729 28 H ASP 4 H ASP 4 1.709 -13.467 -15.989 29 HA ASP 4 HA ASP 4 -0.902 -12.576 -16.553 30 HB2 ASP 4 HB2 ASP 4 0.881 -12.375 -18.212 31 HB3 ASP 4 HB3 ASP 4 1.027 -14.106 -18.292 32 H LEU 5 H LEU 5 0.236 -15.629 -17.763 33 HA LEU 5 HA LEU 5 -2.176 -16.865 -16.947 34 HB2 LEU 5 HB2 LEU 5 -1.442 -18.791 -18.246 35 HB3 LEU 5 HB3 LEU 5 -1.369 -17.318 -19.170 36 HG LEU 5 HG LEU 5 0.583 -18.161 -19.881 37 HD11 LEU 5 HD11 LEU 5 2.491 -17.729 -18.119 38 HD12 LEU 5 HD12 LEU 5 1.231 -16.779 -17.361 39 HD13 LEU 5 HD13 LEU 5 1.710 -16.451 -19.004 40 HD21 LEU 5 HD21 LEU 5 1.057 -20.227 -19.301 41 HD22 LEU 5 HD22 LEU 5 0.096 -20.067 -17.832 42 HD23 LEU 5 HD23 LEU 5 1.794 -19.635 -17.829 43 H ASP 6 H ASP 6 0.942 -18.289 -16.847 44 HA ASP 6 HA ASP 6 1.044 -18.589 -14.061 45 HB2 ASP 6 HB2 ASP 6 -0.234 -20.501 -15.655 46 HB3 ASP 6 HB3 ASP 6 1.307 -21.199 -15.185 47 H VAL 7 H VAL 7 2.396 -19.117 -17.195 48 HA VAL 7 HA VAL 7 4.978 -19.667 -16.035 49 HB VAL 7 HB VAL 7 5.652 -20.543 -18.234 50 HG11 VAL 7 HG11 VAL 7 4.922 -22.148 -16.658 51 HG12 VAL 7 HG12 VAL 7 4.121 -22.554 -18.177 52 HG13 VAL 7 HG13 VAL 7 3.228 -21.725 -16.903 53 HG21 VAL 7 HG21 VAL 7 3.557 -19.113 -19.226 54 HG22 VAL 7 HG22 VAL 7 2.903 -20.750 -19.224 55 HG23 VAL 7 HG23 VAL 7 4.396 -20.400 -20.089 56 H ARG 8 H ARG 8 3.386 -17.057 -17.297 57 HA ARG 8 HA ARG 8 5.433 -15.995 -18.923 58 HB2 ARG 8 HB2 ARG 8 2.798 -15.083 -17.886 59 HB3 ARG 8 HB3 ARG 8 3.898 -13.910 -18.574 60 HG2 ARG 8 HG2 ARG 8 3.940 -15.096 -20.666 61 HG3 ARG 8 HG3 ARG 8 2.977 -16.395 -19.971 62 HD2 ARG 8 HD2 ARG 8 1.061 -15.071 -19.850 63 HD3 ARG 8 HD3 ARG 8 1.967 -13.585 -19.998 64 HE ARG 8 HE ARG 8 2.130 -13.933 -22.319 65 HH11 ARG 8 HH11 ARG 8 0.328 -16.461 -20.725 66 HH12 ARG 8 HH12 ARG 8 -0.374 -17.052 -22.189 67 HH21 ARG 8 HH21 ARG 8 1.205 -14.707 -24.244 68 HH22 ARG 8 HH22 ARG 8 0.123 -16.059 -24.188 69 H THR 9 H THR 9 6.644 -14.076 -18.494 70 HA THR 9 HA THR 9 6.750 -12.861 -15.961 71 HB THR 9 HB THR 9 9.335 -14.044 -16.421 72 HG1 THR 9 HG1 THR 9 8.316 -15.903 -16.928 73 HG21 THR 9 HG21 THR 9 9.378 -14.391 -14.080 74 HG22 THR 9 HG22 THR 9 7.635 -14.156 -13.961 75 HG23 THR 9 HG23 THR 9 8.681 -12.799 -14.380 76 H CYS 10 H CYS 10 6.596 -10.975 -17.261 77 HA CYS 10 HA CYS 10 8.533 -10.464 -19.316 78 HB2 CYS 10 HB2 CYS 10 6.775 -8.395 -18.011 79 HB3 CYS 10 HB3 CYS 10 7.434 -8.395 -19.643 80 H LEU 11 H LEU 11 9.287 -7.853 -18.997 81 HA LEU 11 HA LEU 11 11.204 -8.064 -16.775 82 HB2 LEU 11 HB2 LEU 11 11.580 -7.570 -19.473 83 HB3 LEU 11 HB3 LEU 11 11.736 -5.985 -18.742 84 HG LEU 11 HG LEU 11 13.344 -7.285 -17.088 85 HD11 LEU 11 HD11 LEU 11 14.535 -9.074 -18.083 86 HD12 LEU 11 HD12 LEU 11 13.701 -8.859 -19.623 87 HD13 LEU 11 HD13 LEU 11 12.820 -9.464 -18.220 88 HD21 LEU 11 HD21 LEU 11 14.941 -6.918 -19.385 89 HD22 LEU 11 HD22 LEU 11 14.709 -5.814 -18.029 90 HD23 LEU 11 HD23 LEU 11 13.661 -5.709 -19.437 91 HA PRO 12 HA PRO 12 9.493 -4.657 -14.564 92 HB2 PRO 12 HB2 PRO 12 12.161 -3.669 -13.928 93 HB3 PRO 12 HB3 PRO 12 10.928 -4.331 -12.858 94 HG2 PRO 12 HG2 PRO 12 13.256 -5.600 -13.542 95 HG3 PRO 12 HG3 PRO 12 11.794 -6.409 -12.963 96 HD2 PRO 12 HD2 PRO 12 12.933 -6.289 -15.683 97 HD3 PRO 12 HD3 PRO 12 11.849 -7.494 -14.970 98 H CYS 13 H CYS 13 9.985 -2.272 -14.150 99 HA CYS 13 HA CYS 13 11.071 -0.865 -16.387 100 HB2 CYS 13 HB2 CYS 13 8.665 -1.402 -16.884 101 HB3 CYS 13 HB3 CYS 13 8.232 -0.396 -15.514 102 H GLY 14 H GLY 14 9.955 1.582 -15.724 103 HA2 GLY 14 HA2 GLY 14 10.449 3.440 -14.393 104 HA3 GLY 14 HA3 GLY 14 10.012 2.370 -13.103 105 HA PRO 15 HA PRO 15 14.366 3.321 -12.260 106 HB2 PRO 15 HB2 PRO 15 14.096 3.950 -9.714 107 HB3 PRO 15 HB3 PRO 15 13.371 4.997 -10.949 108 HG2 PRO 15 HG2 PRO 15 12.039 2.825 -9.359 109 HG3 PRO 15 HG3 PRO 15 11.552 4.528 -9.527 110 HD2 PRO 15 HD2 PRO 15 10.526 2.573 -11.094 111 HD3 PRO 15 HD3 PRO 15 10.757 4.223 -11.677 112 H GLY 16 H GLY 16 14.792 1.025 -12.727 113 HA2 GLY 16 HA2 GLY 16 16.116 -0.710 -11.734 114 HA3 GLY 16 HA3 GLY 16 15.218 -0.494 -10.242 115 H GLY 17 H GLY 17 12.786 -0.906 -10.552 116 HA2 GLY 17 HA2 GLY 17 11.808 -2.595 -12.510 117 HA3 GLY 17 HA3 GLY 17 12.388 -3.604 -11.201 118 H LYS 18 H LYS 18 11.089 -0.458 -10.934 119 HA LYS 18 HA LYS 18 9.266 -0.981 -8.895 120 HB2 LYS 18 HB2 LYS 18 10.170 1.218 -10.562 121 HB3 LYS 18 HB3 LYS 18 8.497 1.354 -10.074 122 HG2 LYS 18 HG2 LYS 18 10.361 2.427 -8.682 123 HG3 LYS 18 HG3 LYS 18 8.995 1.638 -7.902 124 HD2 LYS 18 HD2 LYS 18 10.296 -0.369 -7.637 125 HD3 LYS 18 HD3 LYS 18 11.665 0.377 -8.440 126 HE2 LYS 18 HE2 LYS 18 12.317 0.822 -6.315 127 HE3 LYS 18 HE3 LYS 18 11.215 2.191 -6.495 128 HZ1 LYS 18 HZ1 LYS 18 10.646 -0.413 -5.193 129 HZ2 LYS 18 HZ2 LYS 18 9.457 0.740 -5.531 130 HZ3 LYS 18 HZ3 LYS 18 10.713 1.110 -4.459 131 H GLY 19 H GLY 19 9.119 -0.993 -12.273 132 HA2 GLY 19 HA2 GLY 19 6.385 -1.867 -12.258 133 HA3 GLY 19 HA3 GLY 19 6.837 -0.540 -13.320 134 H ARG 20 H ARG 20 6.303 -1.706 -15.059 135 HA ARG 20 HA ARG 20 8.358 -3.287 -16.222 136 HB2 ARG 20 HB2 ARG 20 7.084 -5.303 -16.569 137 HB3 ARG 20 HB3 ARG 20 7.216 -4.941 -14.850 138 HG2 ARG 20 HG2 ARG 20 5.019 -4.611 -14.606 139 HG3 ARG 20 HG3 ARG 20 4.889 -3.811 -16.172 140 HD2 ARG 20 HD2 ARG 20 3.819 -5.661 -16.829 141 HD3 ARG 20 HD3 ARG 20 5.426 -6.379 -16.898 142 HE ARG 20 HE ARG 20 3.372 -7.167 -15.194 143 HH11 ARG 20 HH11 ARG 20 6.758 -6.396 -14.974 144 HH12 ARG 20 HH12 ARG 20 7.037 -7.405 -13.614 145 HH21 ARG 20 HH21 ARG 20 3.736 -8.531 -13.410 146 HH22 ARG 20 HH22 ARG 20 5.324 -8.628 -12.726 147 H CYS 21 H CYS 21 7.343 -4.260 -18.396 148 HA CYS 21 HA CYS 21 5.924 -2.021 -19.702 149 HB2 CYS 21 HB2 CYS 21 8.125 -3.755 -20.454 150 HB3 CYS 21 HB3 CYS 21 6.850 -3.748 -21.660 151 H PHE 22 H PHE 22 3.764 -2.433 -20.388 152 HA PHE 22 HA PHE 22 2.891 -5.175 -20.082 153 HB2 PHE 22 HB2 PHE 22 1.494 -2.530 -20.305 154 HB3 PHE 22 HB3 PHE 22 0.623 -4.044 -20.325 155 HD1 PHE 22 HD1 PHE 22 3.638 -3.254 -18.307 156 HD2 PHE 22 HD2 PHE 22 -0.584 -3.836 -18.323 157 HE1 PHE 22 HE1 PHE 22 3.614 -3.233 -15.851 158 HE2 PHE 22 HE2 PHE 22 -0.594 -3.825 -15.864 159 HZ PHE 22 HZ PHE 22 1.513 -3.526 -14.627 160 H GLY 23 H GLY 23 4.021 -3.343 -22.617 161 HA2 GLY 23 HA2 GLY 23 3.814 -5.034 -24.624 162 HA3 GLY 23 HA3 GLY 23 2.134 -4.569 -24.526 163 HA PRO 24 HA PRO 24 3.244 -1.370 -27.331 164 HB2 PRO 24 HB2 PRO 24 1.106 0.202 -27.262 165 HB3 PRO 24 HB3 PRO 24 0.960 -1.509 -27.680 166 HG2 PRO 24 HG2 PRO 24 0.238 -0.110 -25.165 167 HG3 PRO 24 HG3 PRO 24 -0.511 -1.523 -25.935 168 HD2 PRO 24 HD2 PRO 24 1.362 -1.502 -23.802 169 HD3 PRO 24 HD3 PRO 24 0.726 -2.918 -24.670 170 H SER 25 H SER 25 5.133 -0.463 -26.256 171 HA SER 25 HA SER 25 6.370 1.258 -25.362 172 HB2 SER 25 HB2 SER 25 4.832 2.363 -27.254 173 HB3 SER 25 HB3 SER 25 4.147 3.194 -25.853 174 HG SER 25 HG SER 25 6.923 3.102 -26.434 175 H ILE 26 H ILE 26 4.050 -0.077 -23.797 176 HA ILE 26 HA ILE 26 3.533 2.027 -21.872 177 HB ILE 26 HB ILE 26 1.812 0.338 -22.972 178 HG12 ILE 26 HG12 ILE 26 1.447 0.963 -20.078 179 HG13 ILE 26 HG13 ILE 26 1.580 2.273 -21.267 180 HG21 ILE 26 HG21 ILE 26 1.188 -1.395 -21.359 181 HG22 ILE 26 HG22 ILE 26 2.636 -1.010 -20.420 182 HG23 ILE 26 HG23 ILE 26 2.791 -1.684 -22.049 183 HD11 ILE 26 HD11 ILE 26 -0.531 1.959 -21.904 184 HD12 ILE 26 HD12 ILE 26 -0.704 0.765 -20.621 185 HD13 ILE 26 HD13 ILE 26 -0.206 0.262 -22.245 186 H CYS 27 H CYS 27 3.544 1.631 -19.681 187 HA CYS 27 HA CYS 27 5.117 -0.481 -18.587 188 HB2 CYS 27 HB2 CYS 27 6.124 2.136 -19.217 189 HB3 CYS 27 HB3 CYS 27 6.280 1.790 -17.516 190 H CYS 28 H CYS 28 4.699 -0.720 -16.391 191 HA CYS 28 HA CYS 28 3.108 1.263 -15.017 192 HB2 CYS 28 HB2 CYS 28 1.793 -0.767 -16.248 193 HB3 CYS 28 HB3 CYS 28 2.131 -1.501 -14.683 194 H GLY 29 H GLY 29 3.768 1.442 -12.957 195 HA2 GLY 29 HA2 GLY 29 5.457 -0.671 -11.932 196 HA3 GLY 29 HA3 GLY 29 5.684 1.003 -11.594 197 H ASP 30 H ASP 30 5.457 -0.691 -9.415 198 HA ASP 30 HA ASP 30 2.756 -0.939 -8.582 199 HB2 ASP 30 HB2 ASP 30 5.325 -1.761 -7.607 200 HB3 ASP 30 HB3 ASP 30 4.464 -0.947 -6.306 201 H GLU 31 H GLU 31 5.243 0.782 -6.762 202 HA GLU 31 HA GLU 31 3.440 2.811 -5.906 203 HB2 GLU 31 HB2 GLU 31 5.457 3.790 -4.874 204 HB3 GLU 31 HB3 GLU 31 5.334 2.071 -4.514 205 HG2 GLU 31 HG2 GLU 31 7.301 1.658 -5.449 206 HG3 GLU 31 HG3 GLU 31 6.839 2.484 -6.940 207 H LEU 32 H LEU 32 4.853 2.148 -8.718 208 HA LEU 32 HA LEU 32 5.812 4.680 -9.568 209 HB2 LEU 32 HB2 LEU 32 6.188 1.992 -9.958 210 HB3 LEU 32 HB3 LEU 32 5.528 2.552 -11.453 211 HG LEU 32 HG LEU 32 8.106 3.107 -10.195 212 HD11 LEU 32 HD11 LEU 32 8.925 2.147 -12.045 213 HD12 LEU 32 HD12 LEU 32 7.673 2.826 -13.085 214 HD13 LEU 32 HD13 LEU 32 7.321 1.422 -12.069 215 HD21 LEU 32 HD21 LEU 32 6.850 5.314 -10.833 216 HD22 LEU 32 HD22 LEU 32 7.280 4.814 -12.469 217 HD23 LEU 32 HD23 LEU 32 8.538 5.083 -11.279 218 H GLY 33 H GLY 33 2.927 2.845 -9.919 219 HA2 GLY 33 HA2 GLY 33 0.897 3.453 -10.854 220 HA3 GLY 33 HA3 GLY 33 1.633 4.979 -11.294 221 H CYS 34 H CYS 34 0.394 4.627 -13.341 222 HA CYS 34 HA CYS 34 1.810 2.731 -15.075 223 HB2 CYS 34 HB2 CYS 34 -0.925 3.077 -14.630 224 HB3 CYS 34 HB3 CYS 34 -0.619 3.657 -16.258 225 H PHE 35 H PHE 35 2.720 3.342 -16.937 226 HA PHE 35 HA PHE 35 2.376 6.125 -17.849 227 HB2 PHE 35 HB2 PHE 35 5.063 4.871 -18.148 228 HB3 PHE 35 HB3 PHE 35 4.626 6.563 -18.065 229 HD1 PHE 35 HD1 PHE 35 4.654 3.518 -15.932 230 HD2 PHE 35 HD2 PHE 35 5.188 7.729 -16.194 231 HE1 PHE 35 HE1 PHE 35 5.408 3.564 -13.592 232 HE2 PHE 35 HE2 PHE 35 5.949 7.783 -13.856 233 HZ PHE 35 HZ PHE 35 6.048 5.705 -12.563 234 H VAL 36 H VAL 36 1.791 6.169 -19.950 235 HA VAL 36 HA VAL 36 2.541 3.836 -21.581 236 HB VAL 36 HB VAL 36 0.364 5.746 -22.382 237 HG11 VAL 36 HG11 VAL 36 -0.242 4.109 -23.921 238 HG12 VAL 36 HG12 VAL 36 0.598 2.832 -23.044 239 HG13 VAL 36 HG13 VAL 36 1.523 4.036 -23.940 240 HG21 VAL 36 HG21 VAL 36 -0.025 4.666 -20.084 241 HG22 VAL 36 HG22 VAL 36 -0.185 3.166 -20.971 242 HG23 VAL 36 HG23 VAL 36 -1.286 4.492 -21.303 243 H GLY 37 H GLY 37 4.100 4.156 -22.901 244 HA2 GLY 37 HA2 GLY 37 5.579 5.169 -24.343 245 HA3 GLY 37 HA3 GLY 37 4.252 6.225 -24.791 246 H THR 38 H THR 38 4.951 6.320 -21.476 247 HA THR 38 HA THR 38 5.995 9.007 -21.713 248 HB THR 38 HB THR 38 5.445 7.411 -19.212 249 HG1 THR 38 HG1 THR 38 3.611 7.675 -20.678 250 HG21 THR 38 HG21 THR 38 5.633 9.283 -17.991 251 HG22 THR 38 HG22 THR 38 5.025 10.319 -19.283 252 HG23 THR 38 HG23 THR 38 6.689 9.774 -19.302 253 H ALA 39 H ALA 39 7.741 9.521 -19.897 254 HA ALA 39 HA ALA 39 10.155 8.401 -20.720 255 HB1 ALA 39 HB1 ALA 39 9.636 9.814 -18.105 256 HB2 ALA 39 HB2 ALA 39 9.899 10.627 -19.649 257 HB3 ALA 39 HB3 ALA 39 11.182 9.648 -18.937 258 H GLU 40 H GLU 40 8.345 7.864 -17.703 259 HA GLU 40 HA GLU 40 10.085 5.854 -16.723 260 HB2 GLU 40 HB2 GLU 40 7.591 7.115 -15.938 261 HB3 GLU 40 HB3 GLU 40 7.628 5.404 -15.551 262 HG2 GLU 40 HG2 GLU 40 8.439 6.531 -13.653 263 HG3 GLU 40 HG3 GLU 40 9.842 5.807 -14.440 264 H ALA 41 H ALA 41 8.471 5.654 -19.480 265 HA ALA 41 HA ALA 41 7.737 2.835 -19.124 266 HB1 ALA 41 HB1 ALA 41 5.907 4.588 -19.464 267 HB2 ALA 41 HB2 ALA 41 5.850 3.127 -20.444 268 HB3 ALA 41 HB3 ALA 41 6.476 4.623 -21.124 269 H LEU 42 H LEU 42 9.881 4.804 -20.639 270 HA LEU 42 HA LEU 42 9.960 3.841 -23.261 271 HB2 LEU 42 HB2 LEU 42 12.364 4.640 -23.142 272 HB3 LEU 42 HB3 LEU 42 11.116 5.829 -22.842 273 HG LEU 42 HG LEU 42 11.888 6.292 -20.789 274 HD11 LEU 42 HD11 LEU 42 12.679 3.468 -20.152 275 HD12 LEU 42 HD12 LEU 42 11.013 4.014 -20.024 276 HD13 LEU 42 HD13 LEU 42 12.244 4.778 -19.056 277 HD21 LEU 42 HD21 LEU 42 14.292 4.595 -21.183 278 HD22 LEU 42 HD22 LEU 42 14.160 6.268 -20.642 279 HD23 LEU 42 HD23 LEU 42 13.956 5.874 -22.349 280 H ARG 43 H ARG 43 10.613 2.325 -20.342 281 HA ARG 43 HA ARG 43 12.806 0.750 -20.648 282 HB2 ARG 43 HB2 ARG 43 10.461 0.751 -19.068 283 HB3 ARG 43 HB3 ARG 43 10.781 -0.886 -19.596 284 HG2 ARG 43 HG2 ARG 43 11.828 -0.431 -17.453 285 HG3 ARG 43 HG3 ARG 43 13.031 -0.766 -18.689 286 HD2 ARG 43 HD2 ARG 43 13.903 1.080 -17.571 287 HD3 ARG 43 HD3 ARG 43 13.122 1.789 -18.984 288 HE ARG 43 HE ARG 43 11.371 1.696 -16.753 289 HH11 ARG 43 HH11 ARG 43 14.034 3.481 -18.114 290 HH12 ARG 43 HH12 ARG 43 13.609 4.962 -17.325 291 HH21 ARG 43 HH21 ARG 43 10.806 3.650 -15.726 292 HH22 ARG 43 HH22 ARG 43 11.778 5.055 -15.959 293 H CYS 44 H CYS 44 9.967 0.594 -22.546 294 HA CYS 44 HA CYS 44 10.073 -2.130 -23.210 295 HB2 CYS 44 HB2 CYS 44 8.663 0.221 -24.184 296 HB3 CYS 44 HB3 CYS 44 8.819 -1.097 -25.338 297 H GLN 45 H GLN 45 12.158 0.348 -23.954 298 HA GLN 45 HA GLN 45 12.948 -0.311 -26.553 299 HB2 GLN 45 HB2 GLN 45 13.896 1.329 -24.347 300 HB3 GLN 45 HB3 GLN 45 15.216 0.612 -25.254 301 HG2 GLN 45 HG2 GLN 45 14.160 1.530 -27.334 302 HG3 GLN 45 HG3 GLN 45 13.042 2.407 -26.291 303 HE21 GLN 45 HE21 GLN 45 14.309 3.563 -24.425 304 HE22 GLN 45 HE22 GLN 45 15.641 4.525 -24.960 305 H GLU 46 H GLU 46 13.224 -1.793 -23.579 306 HA GLU 46 HA GLU 46 15.555 -3.429 -24.141 307 HB2 GLU 46 HB2 GLU 46 15.277 -4.352 -21.976 308 HB3 GLU 46 HB3 GLU 46 14.854 -2.657 -21.806 309 HG2 GLU 46 HG2 GLU 46 13.181 -3.647 -20.610 310 HG3 GLU 46 HG3 GLU 46 12.420 -3.524 -22.195 311 H GLU 47 H GLU 47 12.179 -3.424 -24.657 312 HA GLU 47 HA GLU 47 11.856 -6.258 -24.976 313 HB2 GLU 47 HB2 GLU 47 10.161 -3.849 -25.360 314 HB3 GLU 47 HB3 GLU 47 9.725 -5.284 -26.271 315 HG2 GLU 47 HG2 GLU 47 10.119 -6.296 -23.769 316 HG3 GLU 47 HG3 GLU 47 9.448 -4.701 -23.426 317 H ASN 48 H ASN 48 13.537 -4.068 -26.756 318 HA ASN 48 HA ASN 48 12.735 -4.802 -29.370 319 HB2 ASN 48 HB2 ASN 48 14.541 -2.917 -28.173 320 HB3 ASN 48 HB3 ASN 48 15.366 -3.790 -29.460 321 HD21 ASN 48 HD21 ASN 48 12.418 -1.991 -28.732 322 HD22 ASN 48 HD22 ASN 48 12.206 -1.349 -30.322 323 H TYR 49 H TYR 49 14.348 -6.491 -27.018 324 HA TYR 49 HA TYR 49 15.606 -8.229 -29.037 325 HB2 TYR 49 HB2 TYR 49 16.828 -7.617 -26.336 326 HB3 TYR 49 HB3 TYR 49 17.534 -8.580 -27.634 327 HD1 TYR 49 HD1 TYR 49 17.547 -7.159 -29.984 328 HD2 TYR 49 HD2 TYR 49 17.770 -5.541 -26.055 329 HE1 TYR 49 HE1 TYR 49 18.643 -5.150 -30.880 330 HE2 TYR 49 HE2 TYR 49 18.866 -3.526 -26.941 331 HH TYR 49 HH TYR 49 19.155 -2.322 -28.961 332 H LEU 50 H LEU 50 13.187 -8.062 -26.946 333 HA LEU 50 HA LEU 50 13.269 -10.929 -26.411 334 HB2 LEU 50 HB2 LEU 50 12.586 -8.898 -24.283 335 HB3 LEU 50 HB3 LEU 50 12.546 -10.642 -24.104 336 HG LEU 50 HG LEU 50 15.128 -9.378 -24.882 337 HD11 LEU 50 HD11 LEU 50 15.363 -8.168 -23.045 338 HD12 LEU 50 HD12 LEU 50 14.996 -9.571 -22.044 339 HD13 LEU 50 HD13 LEU 50 13.693 -8.526 -22.607 340 HD21 LEU 50 HD21 LEU 50 15.891 -11.410 -24.425 341 HD22 LEU 50 HD22 LEU 50 14.230 -11.933 -24.151 342 HD23 LEU 50 HD23 LEU 50 15.205 -11.351 -22.802 343 HA PRO 51 HA PRO 51 9.274 -9.492 -28.383 344 HB2 PRO 51 HB2 PRO 51 9.506 -12.401 -29.056 345 HB3 PRO 51 HB3 PRO 51 8.906 -11.062 -30.047 346 HG2 PRO 51 HG2 PRO 51 11.320 -11.927 -30.517 347 HG3 PRO 51 HG3 PRO 51 11.062 -10.176 -30.349 348 HD2 PRO 51 HD2 PRO 51 12.149 -12.115 -28.323 349 HD3 PRO 51 HD3 PRO 51 12.773 -10.514 -28.790 350 H SER 52 H SER 52 7.237 -11.260 -28.503 351 HA SER 52 HA SER 52 5.623 -12.398 -27.366 352 HB2 SER 52 HB2 SER 52 7.623 -13.715 -26.424 353 HB3 SER 52 HB3 SER 52 7.452 -12.705 -24.992 354 HG SER 52 HG SER 52 5.901 -14.790 -25.867 355 HA PRO 53 HA PRO 53 3.928 -9.237 -24.763 356 HB2 PRO 53 HB2 PRO 53 1.584 -10.336 -24.140 357 HB3 PRO 53 HB3 PRO 53 1.993 -9.972 -25.828 358 HG2 PRO 53 HG2 PRO 53 1.967 -12.590 -24.411 359 HG3 PRO 53 HG3 PRO 53 1.550 -12.219 -26.088 360 HD2 PRO 53 HD2 PRO 53 4.003 -13.240 -25.156 361 HD3 PRO 53 HD3 PRO 53 3.681 -12.596 -26.771 362 H CYS 54 H CYS 54 2.794 -12.185 -23.203 363 HA CYS 54 HA CYS 54 2.727 -12.924 -21.117 364 HB2 CYS 54 HB2 CYS 54 4.704 -12.903 -19.714 365 HB3 CYS 54 HB3 CYS 54 5.104 -13.337 -21.359 366 H GLN 55 H GLN 55 2.393 -12.440 -18.893 367 HA GLN 55 HA GLN 55 1.200 -11.221 -17.377 368 HB2 GLN 55 HB2 GLN 55 3.327 -10.632 -16.609 369 HB3 GLN 55 HB3 GLN 55 3.629 -9.566 -17.965 370 HG2 GLN 55 HG2 GLN 55 3.268 -8.071 -16.299 371 HG3 GLN 55 HG3 GLN 55 1.651 -8.193 -16.953 372 HE21 GLN 55 HE21 GLN 55 0.075 -8.543 -15.574 373 HE22 GLN 55 HE22 GLN 55 0.243 -9.200 -13.985 374 H SER 56 H SER 56 2.181 -8.194 -18.796 375 HA SER 56 HA SER 56 0.943 -6.422 -19.520 376 HB2 SER 56 HB2 SER 56 -0.383 -6.902 -21.550 377 HB3 SER 56 HB3 SER 56 1.200 -7.679 -21.583 378 HG SER 56 HG SER 56 -0.303 -9.454 -20.501 379 H GLY 57 H GLY 57 -0.299 -5.665 -17.884 380 HA2 GLY 57 HA2 GLY 57 -2.192 -5.103 -16.739 381 HA3 GLY 57 HA3 GLY 57 -3.073 -5.691 -18.136 382 H GLN 58 H GLN 58 -3.361 -5.805 -15.136 383 HA GLN 58 HA GLN 58 -3.767 -8.689 -14.826 384 HB2 GLN 58 HB2 GLN 58 -2.730 -6.611 -13.062 385 HB3 GLN 58 HB3 GLN 58 -3.962 -7.634 -12.335 386 HG2 GLN 58 HG2 GLN 58 -2.082 -9.213 -13.817 387 HG3 GLN 58 HG3 GLN 58 -1.256 -8.197 -12.643 388 HE21 GLN 58 HE21 GLN 58 -1.158 -8.891 -10.626 389 HE22 GLN 58 HE22 GLN 58 -2.110 -10.158 -9.946 390 H LYS 59 H LYS 59 -5.529 -9.071 -13.093 391 HA LYS 59 HA LYS 59 -7.918 -9.224 -13.664 392 HB2 LYS 59 HB2 LYS 59 -7.551 -9.435 -11.365 393 HB3 LYS 59 HB3 LYS 59 -7.039 -7.768 -11.191 394 HG2 LYS 59 HG2 LYS 59 -9.597 -7.377 -11.919 395 HG3 LYS 59 HG3 LYS 59 -9.742 -8.950 -11.138 396 HD2 LYS 59 HD2 LYS 59 -8.113 -7.032 -9.645 397 HD3 LYS 59 HD3 LYS 59 -9.790 -6.529 -9.861 398 HE2 LYS 59 HE2 LYS 59 -9.524 -9.335 -9.120 399 HE3 LYS 59 HE3 LYS 59 -8.847 -8.237 -7.918 400 HZ1 LYS 59 HZ1 LYS 59 -11.002 -7.009 -8.027 401 HZ2 LYS 59 HZ2 LYS 59 -11.112 -8.567 -7.379 402 HZ3 LYS 59 HZ3 LYS 59 -11.620 -8.275 -8.966 403 HA PRO 60 HA PRO 60 -8.636 -5.638 -16.286 404 HB2 PRO 60 HB2 PRO 60 -10.917 -7.457 -16.848 405 HB3 PRO 60 HB3 PRO 60 -9.913 -6.532 -17.971 406 HG2 PRO 60 HG2 PRO 60 -9.513 -9.132 -17.605 407 HG3 PRO 60 HG3 PRO 60 -8.164 -8.027 -17.813 408 HD2 PRO 60 HD2 PRO 60 -9.095 -9.377 -15.364 409 HD3 PRO 60 HD3 PRO 60 -7.469 -8.834 -15.812 410 H CYS 61 H CYS 61 -10.306 -4.268 -16.806 411 HA CYS 61 HA CYS 61 -12.747 -4.184 -15.332 412 HB2 CYS 61 HB2 CYS 61 -12.301 -1.785 -14.520 413 HB3 CYS 61 HB3 CYS 61 -11.673 -3.132 -13.587 414 H GLY 62 H GLY 62 -14.144 -2.355 -15.801 415 HA2 GLY 62 HA2 GLY 62 -14.092 -1.846 -18.594 416 HA3 GLY 62 HA3 GLY 62 -15.416 -1.581 -17.476 417 H SER 63 H SER 63 -12.307 -0.245 -16.720 418 HA SER 63 HA SER 63 -13.330 2.360 -17.409 419 HB2 SER 63 HB2 SER 63 -12.653 1.839 -14.991 420 HB3 SER 63 HB3 SER 63 -11.012 1.871 -15.587 421 HG SER 63 HG SER 63 -12.874 3.981 -15.674 422 H GLY 64 H GLY 64 -12.338 0.658 -19.360 423 HA2 GLY 64 HA2 GLY 64 -11.196 1.201 -21.323 424 HA3 GLY 64 HA3 GLY 64 -10.175 2.260 -20.386 425 H GLY 65 H GLY 65 -10.396 -0.681 -18.853 426 HA2 GLY 65 HA2 GLY 65 -8.813 -2.490 -20.096 427 HA3 GLY 65 HA3 GLY 65 -7.697 -1.288 -19.557 428 H ARG 66 H ARG 66 -6.603 -2.669 -18.277 429 HA ARG 66 HA ARG 66 -8.022 -4.096 -16.275 430 HB2 ARG 66 HB2 ARG 66 -5.035 -4.008 -16.567 431 HB3 ARG 66 HB3 ARG 66 -6.024 -5.300 -15.918 432 HG2 ARG 66 HG2 ARG 66 -5.961 -4.468 -18.800 433 HG3 ARG 66 HG3 ARG 66 -5.090 -5.839 -18.118 434 HD2 ARG 66 HD2 ARG 66 -7.440 -6.541 -17.270 435 HD3 ARG 66 HD3 ARG 66 -8.023 -5.475 -18.546 436 HE ARG 66 HE ARG 66 -7.077 -8.082 -18.902 437 HH11 ARG 66 HH11 ARG 66 -6.647 -4.917 -20.309 438 HH12 ARG 66 HH12 ARG 66 -6.262 -5.532 -21.876 439 HH21 ARG 66 HH21 ARG 66 -6.580 -8.891 -20.966 440 HH22 ARG 66 HH22 ARG 66 -6.227 -7.786 -22.253 441 H CYS 67 H CYS 67 -6.520 -4.281 -14.107 442 HA CYS 67 HA CYS 67 -6.866 -1.713 -12.917 443 HB2 CYS 67 HB2 CYS 67 -7.522 -3.745 -11.708 444 HB3 CYS 67 HB3 CYS 67 -5.860 -4.308 -11.761 445 H ALA 68 H ALA 68 -5.122 -1.387 -14.834 446 HA ALA 68 HA ALA 68 -2.598 -1.807 -15.037 447 HB1 ALA 68 HB1 ALA 68 -4.038 0.738 -15.124 448 HB2 ALA 68 HB2 ALA 68 -3.051 -0.069 -16.341 449 HB3 ALA 68 HB3 ALA 68 -2.285 0.846 -15.049 450 H ALA 69 H ALA 69 -3.258 0.795 -12.530 451 HA ALA 69 HA ALA 69 -1.330 -0.351 -10.753 452 HB1 ALA 69 HB1 ALA 69 0.110 1.622 -10.803 453 HB2 ALA 69 HB2 ALA 69 -0.824 2.278 -12.153 454 HB3 ALA 69 HB3 ALA 69 0.117 0.793 -12.352 455 H ALA 70 H ALA 70 -1.522 0.510 -8.742 456 HA ALA 70 HA ALA 70 -3.071 1.199 -7.017 457 HB1 ALA 70 HB1 ALA 70 -2.714 3.908 -7.106 458 HB2 ALA 70 HB2 ALA 70 -1.256 3.287 -7.889 459 HB3 ALA 70 HB3 ALA 70 -1.680 2.759 -6.258 460 H GLY 71 H GLY 71 -4.867 0.745 -8.670 461 HA2 GLY 71 HA2 GLY 71 -6.949 1.351 -9.416 462 HA3 GLY 71 HA3 GLY 71 -6.778 2.794 -8.477 463 H ILE 72 H ILE 72 -5.992 1.273 -11.424 464 HA ILE 72 HA ILE 72 -6.242 3.634 -12.945 465 HB ILE 72 HB ILE 72 -3.562 2.394 -12.547 466 HG12 ILE 72 HG12 ILE 72 -4.573 4.655 -11.702 467 HG13 ILE 72 HG13 ILE 72 -2.877 4.451 -12.083 468 HG21 ILE 72 HG21 ILE 72 -4.525 3.449 -15.168 469 HG22 ILE 72 HG22 ILE 72 -3.521 2.058 -14.828 470 HG23 ILE 72 HG23 ILE 72 -2.848 3.663 -14.670 471 HD11 ILE 72 HD11 ILE 72 -4.455 6.439 -13.034 472 HD12 ILE 72 HD12 ILE 72 -4.502 5.272 -14.362 473 HD13 ILE 72 HD13 ILE 72 -2.952 5.877 -13.769 474 H CYS 73 H CYS 73 -7.803 2.705 -14.060 475 HA CYS 73 HA CYS 73 -7.452 0.033 -14.968 476 HB2 CYS 73 HB2 CYS 73 -9.581 0.909 -14.076 477 HB3 CYS 73 HB3 CYS 73 -9.730 1.941 -15.476 478 H CYS 74 H CYS 74 -5.861 -0.007 -16.393 479 HA CYS 74 HA CYS 74 -6.000 1.852 -18.660 480 HB2 CYS 74 HB2 CYS 74 -4.354 2.737 -17.281 481 HB3 CYS 74 HB3 CYS 74 -3.739 1.194 -16.836 482 H SER 75 H SER 75 -5.405 1.251 -20.513 483 HA SER 75 HA SER 75 -4.336 -1.435 -20.944 484 HB2 SER 75 HB2 SER 75 -6.369 0.043 -22.643 485 HB3 SER 75 HB3 SER 75 -5.677 -1.522 -23.043 486 HG SER 75 HG SER 75 -7.556 -0.873 -21.128 487 HA PRO 76 HA PRO 76 -1.663 0.943 -23.778 488 HB2 PRO 76 HB2 PRO 76 -2.376 0.592 -26.446 489 HB3 PRO 76 HB3 PRO 76 -1.454 -0.549 -25.499 490 HG2 PRO 76 HG2 PRO 76 -4.045 -0.922 -26.558 491 HG3 PRO 76 HG3 PRO 76 -3.152 -2.019 -25.493 492 HD2 PRO 76 HD2 PRO 76 -5.264 -0.044 -24.832 493 HD3 PRO 76 HD3 PRO 76 -4.829 -1.559 -24.022 494 H ASP 77 H ASP 77 -4.990 1.321 -24.682 495 HA ASP 77 HA ASP 77 -5.048 3.616 -26.192 496 HB2 ASP 77 HB2 ASP 77 -6.911 1.860 -25.176 497 HB3 ASP 77 HB3 ASP 77 -7.293 3.344 -24.321 498 H GLY 78 H GLY 78 -5.419 3.215 -22.705 499 HA2 GLY 78 HA2 GLY 78 -3.795 5.347 -22.055 500 HA3 GLY 78 HA3 GLY 78 -5.423 5.963 -22.055 501 H CYS 79 H CYS 79 -3.646 5.792 -19.809 502 HA CYS 79 HA CYS 79 -5.048 3.806 -18.180 503 HB2 CYS 79 HB2 CYS 79 -2.811 5.440 -17.102 504 HB3 CYS 79 HB3 CYS 79 -3.378 3.879 -16.575 505 H GLU 80 H GLU 80 -6.148 4.380 -16.444 506 HA GLU 80 HA GLU 80 -6.171 7.137 -15.646 507 HB2 GLU 80 HB2 GLU 80 -8.566 7.406 -15.916 508 HB3 GLU 80 HB3 GLU 80 -7.827 7.022 -17.458 509 HG2 GLU 80 HG2 GLU 80 -8.991 5.135 -17.678 510 HG3 GLU 80 HG3 GLU 80 -8.729 4.669 -15.997 511 H GLU 81 H GLU 81 -6.644 7.436 -13.513 512 HA GLU 81 HA GLU 81 -6.443 5.370 -11.744 513 HB2 GLU 81 HB2 GLU 81 -7.532 6.999 -10.088 514 HB3 GLU 81 HB3 GLU 81 -6.074 7.521 -10.884 515 HG2 GLU 81 HG2 GLU 81 -7.341 8.832 -12.444 516 HG3 GLU 81 HG3 GLU 81 -8.821 8.257 -11.701 517 H ASP 82 H ASP 82 -7.713 3.696 -11.525 518 HA ASP 82 HA ASP 82 -10.515 4.051 -12.048 519 HB2 ASP 82 HB2 ASP 82 -10.673 1.566 -12.196 520 HB3 ASP 82 HB3 ASP 82 -9.619 2.304 -13.390 521 HA PRO 83 HA PRO 83 -10.964 4.257 -7.583 522 HB2 PRO 83 HB2 PRO 83 -13.776 4.510 -8.563 523 HB3 PRO 83 HB3 PRO 83 -12.933 5.509 -7.378 524 HG2 PRO 83 HG2 PRO 83 -13.317 6.470 -9.781 525 HG3 PRO 83 HG3 PRO 83 -11.725 6.640 -9.031 526 HD2 PRO 83 HD2 PRO 83 -12.625 4.628 -11.061 527 HD3 PRO 83 HD3 PRO 83 -11.147 5.600 -11.046 528 H ALA 84 H ALA 84 -12.080 2.286 -9.969 529 HA ALA 84 HA ALA 84 -13.612 0.376 -8.615 530 HB1 ALA 84 HB1 ALA 84 -13.380 0.991 -11.125 531 HB2 ALA 84 HB2 ALA 84 -13.548 -0.724 -10.708 532 HB3 ALA 84 HB3 ALA 84 -11.956 -0.043 -11.062 533 H CYS 85 H CYS 85 -10.370 1.162 -8.879 534 HA CYS 85 HA CYS 85 -9.610 -1.351 -7.712 535 HB2 CYS 85 HB2 CYS 85 -8.682 -0.373 -10.135 536 HB3 CYS 85 HB3 CYS 85 -7.351 -0.275 -8.985 537 H ASP 86 H ASP 86 -8.998 2.190 -7.220 538 HA ASP 86 HA ASP 86 -7.965 1.566 -4.621 539 HB2 ASP 86 HB2 ASP 86 -6.243 0.586 -6.259 540 HB3 ASP 86 HB3 ASP 86 -5.736 2.255 -6.449 541 HA PRO 87 HA PRO 87 -6.374 5.924 -5.133 542 HB2 PRO 87 HB2 PRO 87 -6.463 7.068 -7.656 543 HB3 PRO 87 HB3 PRO 87 -5.153 6.105 -6.995 544 HG2 PRO 87 HG2 PRO 87 -6.754 5.380 -9.147 545 HG3 PRO 87 HG3 PRO 87 -5.702 4.338 -8.198 546 HD2 PRO 87 HD2 PRO 87 -8.639 4.788 -7.869 547 HD3 PRO 87 HD3 PRO 87 -7.750 3.265 -7.865 548 H GLU 88 H GLU 88 -8.447 6.534 -7.819 549 HA GLU 88 HA GLU 88 -9.668 8.802 -6.576 550 HB2 GLU 88 HB2 GLU 88 -9.184 8.278 -9.122 551 HB3 GLU 88 HB3 GLU 88 -10.683 7.402 -9.009 552 HG2 GLU 88 HG2 GLU 88 -11.959 9.289 -8.700 553 HG3 GLU 88 HG3 GLU 88 -10.594 10.233 -8.111 554 H ALA 89 H ALA 89 -9.784 5.782 -6.130 555 HA ALA 89 HA ALA 89 -12.247 4.695 -6.395 556 HB1 ALA 89 HB1 ALA 89 -10.730 3.103 -6.264 557 HB2 ALA 89 HB2 ALA 89 -11.138 3.133 -4.558 558 HB3 ALA 89 HB3 ALA 89 -9.729 4.008 -5.146 559 H ALA 90 H ALA 90 -13.127 3.458 -4.992 560 HA ALA 90 HA ALA 90 -14.496 4.663 -2.751 561 HB1 ALA 90 HB1 ALA 90 -16.110 2.793 -3.317 562 HB2 ALA 90 HB2 ALA 90 -15.078 2.451 -4.711 563 HB3 ALA 90 HB3 ALA 90 -15.922 4.003 -4.593 564 H PHE 91 H PHE 91 -15.343 1.921 -1.975 565 HA PHE 91 HA PHE 91 -12.991 1.108 -0.525 566 HB2 PHE 91 HB2 PHE 91 -15.626 0.809 0.009 567 HB3 PHE 91 HB3 PHE 91 -15.315 -0.746 -0.757 568 HD1 PHE 91 HD1 PHE 91 -13.060 -1.899 0.129 569 HD2 PHE 91 HD2 PHE 91 -15.433 0.897 2.286 570 HE1 PHE 91 HE1 PHE 91 -12.146 -2.760 2.245 571 HE2 PHE 91 HE2 PHE 91 -14.523 0.043 4.406 572 HZ PHE 91 HZ PHE 91 -12.877 -1.790 4.387 573 H SER 92 H SER 92 -12.133 1.192 -2.892 574 HA SER 92 HA SER 92 -12.516 -1.094 -4.559 575 HB2 SER 92 HB2 SER 92 -10.979 -0.014 -6.040 576 HB3 SER 92 HB3 SER 92 -11.884 1.315 -5.299 577 HG SER 92 HG SER 92 -10.170 1.745 -3.992 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 2.831 -16.173 -22.994 2 H2 ALA 1 H2 ALA 1 3.306 -15.138 -21.710 3 H3 ALA 1 H3 ALA 1 2.525 -14.490 -23.094 4 HA ALA 1 HA ALA 1 0.847 -14.539 -21.623 5 HB1 ALA 1 HB1 ALA 1 0.788 -16.331 -23.722 6 HB2 ALA 1 HB2 ALA 1 -0.600 -15.769 -22.789 7 HB3 ALA 1 HB3 ALA 1 0.206 -17.277 -22.352 8 H VAL 2 H VAL 2 -0.134 -15.256 -19.727 9 HA VAL 2 HA VAL 2 -0.277 -16.210 -17.664 10 HB VAL 2 HB VAL 2 1.460 -18.486 -18.590 11 HG11 VAL 2 HG11 VAL 2 0.769 -19.504 -16.738 12 HG12 VAL 2 HG12 VAL 2 -0.920 -19.157 -17.105 13 HG13 VAL 2 HG13 VAL 2 0.052 -17.974 -16.239 14 HG21 VAL 2 HG21 VAL 2 0.007 -19.175 -20.131 15 HG22 VAL 2 HG22 VAL 2 -0.826 -17.630 -19.968 16 HG23 VAL 2 HG23 VAL 2 -1.340 -19.014 -19.006 17 H LEU 3 H LEU 3 1.059 -16.799 -15.751 18 HA LEU 3 HA LEU 3 3.224 -15.081 -15.468 19 HB2 LEU 3 HB2 LEU 3 1.703 -16.970 -13.821 20 HB3 LEU 3 HB3 LEU 3 3.369 -16.777 -13.324 21 HG LEU 3 HG LEU 3 2.579 -15.095 -12.073 22 HD11 LEU 3 HD11 LEU 3 2.208 -13.632 -14.650 23 HD12 LEU 3 HD12 LEU 3 3.805 -14.071 -14.036 24 HD13 LEU 3 HD13 LEU 3 2.758 -12.990 -13.101 25 HD21 LEU 3 HD21 LEU 3 0.409 -13.856 -12.857 26 HD22 LEU 3 HD22 LEU 3 0.305 -15.459 -12.129 27 HD23 LEU 3 HD23 LEU 3 0.211 -15.278 -13.881 28 H ASP 4 H ASP 4 5.302 -15.751 -14.471 29 HA ASP 4 HA ASP 4 6.539 -17.712 -16.101 30 HB2 ASP 4 HB2 ASP 4 7.602 -15.470 -15.409 31 HB3 ASP 4 HB3 ASP 4 7.889 -16.234 -13.858 32 H LEU 5 H LEU 5 6.857 -17.084 -12.710 33 HA LEU 5 HA LEU 5 7.183 -19.794 -11.996 34 HB2 LEU 5 HB2 LEU 5 7.433 -19.000 -9.724 35 HB3 LEU 5 HB3 LEU 5 8.390 -18.048 -10.820 36 HG LEU 5 HG LEU 5 7.592 -16.305 -9.680 37 HD11 LEU 5 HD11 LEU 5 4.957 -15.949 -10.400 38 HD12 LEU 5 HD12 LEU 5 5.677 -16.798 -11.751 39 HD13 LEU 5 HD13 LEU 5 6.378 -15.292 -11.196 40 HD21 LEU 5 HD21 LEU 5 6.865 -17.511 -7.840 41 HD22 LEU 5 HD22 LEU 5 5.434 -18.093 -8.682 42 HD23 LEU 5 HD23 LEU 5 5.571 -16.390 -8.244 43 H ASP 6 H ASP 6 5.043 -17.590 -10.428 44 HA ASP 6 HA ASP 6 2.691 -18.995 -10.943 45 HB2 ASP 6 HB2 ASP 6 4.273 -19.719 -8.760 46 HB3 ASP 6 HB3 ASP 6 2.922 -18.811 -8.100 47 H VAL 7 H VAL 7 4.068 -16.735 -8.578 48 HA VAL 7 HA VAL 7 1.825 -14.956 -9.169 49 HB VAL 7 HB VAL 7 1.776 -14.154 -6.904 50 HG11 VAL 7 HG11 VAL 7 0.341 -15.978 -7.285 51 HG12 VAL 7 HG12 VAL 7 1.174 -16.347 -5.775 52 HG13 VAL 7 HG13 VAL 7 1.672 -17.134 -7.272 53 HG21 VAL 7 HG21 VAL 7 3.515 -16.172 -5.739 54 HG22 VAL 7 HG22 VAL 7 3.416 -14.442 -5.418 55 HG23 VAL 7 HG23 VAL 7 4.389 -15.033 -6.764 56 H ARG 8 H ARG 8 5.135 -14.991 -9.433 57 HA ARG 8 HA ARG 8 5.628 -12.302 -8.729 58 HB2 ARG 8 HB2 ARG 8 7.242 -14.497 -9.942 59 HB3 ARG 8 HB3 ARG 8 7.852 -12.871 -9.893 60 HG2 ARG 8 HG2 ARG 8 7.836 -12.827 -7.534 61 HG3 ARG 8 HG3 ARG 8 6.900 -14.323 -7.463 62 HD2 ARG 8 HD2 ARG 8 8.708 -15.621 -8.160 63 HD3 ARG 8 HD3 ARG 8 9.599 -14.230 -8.760 64 HE ARG 8 HE ARG 8 9.357 -15.083 -5.979 65 HH11 ARG 8 HH11 ARG 8 10.577 -12.757 -8.286 66 HH12 ARG 8 HH12 ARG 8 11.756 -12.113 -7.195 67 HH21 ARG 8 HH21 ARG 8 10.901 -14.222 -4.546 68 HH22 ARG 8 HH22 ARG 8 11.940 -12.942 -5.078 69 H THR 9 H THR 9 6.891 -10.955 -10.388 70 HA THR 9 HA THR 9 5.170 -10.497 -12.610 71 HB THR 9 HB THR 9 7.153 -8.693 -12.894 72 HG1 THR 9 HG1 THR 9 7.067 -8.906 -10.108 73 HG21 THR 9 HG21 THR 9 5.886 -7.135 -11.521 74 HG22 THR 9 HG22 THR 9 4.969 -8.479 -10.839 75 HG23 THR 9 HG23 THR 9 4.821 -8.092 -12.553 76 H CYS 10 H CYS 10 6.811 -9.543 -14.557 77 HA CYS 10 HA CYS 10 8.817 -11.556 -15.179 78 HB2 CYS 10 HB2 CYS 10 6.457 -11.057 -17.010 79 HB3 CYS 10 HB3 CYS 10 7.861 -12.049 -17.387 80 H LEU 11 H LEU 11 7.030 -8.702 -16.344 81 HA LEU 11 HA LEU 11 9.614 -7.614 -17.254 82 HB2 LEU 11 HB2 LEU 11 7.722 -8.401 -18.995 83 HB3 LEU 11 HB3 LEU 11 7.163 -6.767 -18.688 84 HG LEU 11 HG LEU 11 9.463 -5.955 -19.312 85 HD11 LEU 11 HD11 LEU 11 11.122 -7.361 -19.759 86 HD12 LEU 11 HD12 LEU 11 10.127 -8.271 -20.895 87 HD13 LEU 11 HD13 LEU 11 10.091 -8.668 -19.178 88 HD21 LEU 11 HD21 LEU 11 7.315 -6.325 -20.835 89 HD22 LEU 11 HD22 LEU 11 8.415 -7.427 -21.664 90 HD23 LEU 11 HD23 LEU 11 8.840 -5.724 -21.486 91 HA PRO 12 HA PRO 12 7.801 -4.574 -14.387 92 HB2 PRO 12 HB2 PRO 12 10.411 -4.007 -13.455 93 HB3 PRO 12 HB3 PRO 12 9.120 -4.841 -12.602 94 HG2 PRO 12 HG2 PRO 12 11.490 -5.981 -13.454 95 HG3 PRO 12 HG3 PRO 12 10.009 -6.841 -13.029 96 HD2 PRO 12 HD2 PRO 12 11.106 -6.176 -15.718 97 HD3 PRO 12 HD3 PRO 12 10.166 -7.592 -15.204 98 H CYS 13 H CYS 13 8.542 -2.303 -13.921 99 HA CYS 13 HA CYS 13 10.065 -1.121 -16.055 100 HB2 CYS 13 HB2 CYS 13 7.549 -1.230 -16.516 101 HB3 CYS 13 HB3 CYS 13 7.421 0.043 -15.306 102 H GLY 14 H GLY 14 9.483 1.514 -15.495 103 HA2 GLY 14 HA2 GLY 14 10.196 3.257 -14.158 104 HA3 GLY 14 HA3 GLY 14 9.592 2.274 -12.853 105 HA PRO 15 HA PRO 15 13.981 2.562 -11.913 106 HB2 PRO 15 HB2 PRO 15 13.701 2.980 -9.314 107 HB3 PRO 15 HB3 PRO 15 13.185 4.220 -10.474 108 HG2 PRO 15 HG2 PRO 15 11.496 2.174 -9.079 109 HG3 PRO 15 HG3 PRO 15 11.251 3.929 -9.194 110 HD2 PRO 15 HD2 PRO 15 10.056 2.149 -10.871 111 HD3 PRO 15 HD3 PRO 15 10.460 3.804 -11.359 112 H GLY 16 H GLY 16 14.552 0.429 -12.409 113 HA2 GLY 16 HA2 GLY 16 15.562 -1.537 -11.591 114 HA3 GLY 16 HA3 GLY 16 14.615 -1.388 -10.117 115 H GLY 17 H GLY 17 12.217 -1.670 -10.448 116 HA2 GLY 17 HA2 GLY 17 11.214 -3.040 -12.643 117 HA3 GLY 17 HA3 GLY 17 11.615 -4.215 -11.419 118 H LYS 18 H LYS 18 10.606 -1.032 -10.707 119 HA LYS 18 HA LYS 18 8.609 -1.743 -8.960 120 HB2 LYS 18 HB2 LYS 18 9.744 0.666 -10.081 121 HB3 LYS 18 HB3 LYS 18 8.036 0.824 -9.724 122 HG2 LYS 18 HG2 LYS 18 9.786 1.500 -7.960 123 HG3 LYS 18 HG3 LYS 18 8.337 0.618 -7.466 124 HD2 LYS 18 HD2 LYS 18 9.564 -1.446 -7.528 125 HD3 LYS 18 HD3 LYS 18 11.003 -0.614 -8.042 126 HE2 LYS 18 HE2 LYS 18 10.539 0.810 -5.885 127 HE3 LYS 18 HE3 LYS 18 9.701 -0.658 -5.424 128 HZ1 LYS 18 HZ1 LYS 18 11.839 -1.841 -6.041 129 HZ2 LYS 18 HZ2 LYS 18 11.851 -0.935 -4.613 130 HZ3 LYS 18 HZ3 LYS 18 12.565 -0.313 -6.014 131 H GLY 19 H GLY 19 8.260 -0.092 -12.048 132 HA2 GLY 19 HA2 GLY 19 5.501 -0.695 -12.094 133 HA3 GLY 19 HA3 GLY 19 6.389 0.169 -13.322 134 H ARG 20 H ARG 20 5.170 -0.925 -14.769 135 HA ARG 20 HA ARG 20 6.159 -3.397 -15.727 136 HB2 ARG 20 HB2 ARG 20 3.448 -2.878 -14.667 137 HB3 ARG 20 HB3 ARG 20 3.653 -3.974 -16.019 138 HG2 ARG 20 HG2 ARG 20 4.427 -5.553 -14.691 139 HG3 ARG 20 HG3 ARG 20 5.647 -4.390 -14.153 140 HD2 ARG 20 HD2 ARG 20 4.342 -5.223 -12.245 141 HD3 ARG 20 HD3 ARG 20 4.101 -3.495 -12.497 142 HE ARG 20 HE ARG 20 1.950 -3.977 -13.425 143 HH11 ARG 20 HH11 ARG 20 3.499 -6.699 -11.868 144 HH12 ARG 20 HH12 ARG 20 2.025 -7.585 -11.691 145 HH21 ARG 20 HH21 ARG 20 0.022 -5.152 -13.185 146 HH22 ARG 20 HH22 ARG 20 0.059 -6.714 -12.438 147 H CYS 21 H CYS 21 5.458 -3.927 -17.772 148 HA CYS 21 HA CYS 21 4.785 -1.565 -19.436 149 HB2 CYS 21 HB2 CYS 21 6.577 -3.781 -19.782 150 HB3 CYS 21 HB3 CYS 21 5.437 -3.702 -21.111 151 H PHE 22 H PHE 22 2.811 -1.423 -20.397 152 HA PHE 22 HA PHE 22 1.128 -3.813 -20.186 153 HB2 PHE 22 HB2 PHE 22 0.492 -0.877 -20.143 154 HB3 PHE 22 HB3 PHE 22 -0.753 -2.096 -20.374 155 HD1 PHE 22 HD1 PHE 22 2.262 -1.758 -18.189 156 HD2 PHE 22 HD2 PHE 22 -1.928 -2.512 -18.443 157 HE1 PHE 22 HE1 PHE 22 2.173 -2.116 -15.761 158 HE2 PHE 22 HE2 PHE 22 -2.006 -2.877 -16.010 159 HZ PHE 22 HZ PHE 22 0.042 -2.678 -14.668 160 H GLY 23 H GLY 23 2.993 -2.896 -22.428 161 HA2 GLY 23 HA2 GLY 23 2.503 -4.096 -24.555 162 HA3 GLY 23 HA3 GLY 23 0.964 -3.276 -24.555 163 HA PRO 24 HA PRO 24 2.969 -0.359 -27.159 164 HB2 PRO 24 HB2 PRO 24 1.077 1.481 -27.365 165 HB3 PRO 24 HB3 PRO 24 0.746 -0.205 -27.778 166 HG2 PRO 24 HG2 PRO 24 -0.090 1.349 -25.393 167 HG3 PRO 24 HG3 PRO 24 -0.910 0.020 -26.223 168 HD2 PRO 24 HD2 PRO 24 0.719 -0.109 -23.880 169 HD3 PRO 24 HD3 PRO 24 -0.037 -1.462 -24.763 170 H SER 25 H SER 25 4.843 0.544 -26.298 171 HA SER 25 HA SER 25 6.189 2.071 -25.197 172 HB2 SER 25 HB2 SER 25 4.831 3.307 -27.185 173 HB3 SER 25 HB3 SER 25 4.263 4.263 -25.803 174 HG SER 25 HG SER 25 6.900 3.913 -26.772 175 H ILE 26 H ILE 26 3.832 0.933 -23.683 176 HA ILE 26 HA ILE 26 3.454 3.147 -21.816 177 HB ILE 26 HB ILE 26 1.539 1.811 -23.096 178 HG12 ILE 26 HG12 ILE 26 1.114 2.561 -20.229 179 HG13 ILE 26 HG13 ILE 26 1.482 3.784 -21.460 180 HG21 ILE 26 HG21 ILE 26 0.531 0.153 -21.654 181 HG22 ILE 26 HG22 ILE 26 1.823 0.387 -20.465 182 HG23 ILE 26 HG23 ILE 26 2.189 -0.326 -22.041 183 HD11 ILE 26 HD11 ILE 26 -0.551 2.059 -22.472 184 HD12 ILE 26 HD12 ILE 26 -0.662 3.785 -22.079 185 HD13 ILE 26 HD13 ILE 26 -1.022 2.577 -20.845 186 H CYS 27 H CYS 27 3.328 2.749 -19.656 187 HA CYS 27 HA CYS 27 4.254 0.324 -18.489 188 HB2 CYS 27 HB2 CYS 27 5.978 2.569 -19.086 189 HB3 CYS 27 HB3 CYS 27 5.962 2.184 -17.382 190 H CYS 28 H CYS 28 3.472 0.238 -16.347 191 HA CYS 28 HA CYS 28 2.619 2.685 -15.152 192 HB2 CYS 28 HB2 CYS 28 0.959 0.413 -15.984 193 HB3 CYS 28 HB3 CYS 28 0.477 1.390 -14.634 194 H GLY 29 H GLY 29 3.593 2.688 -13.199 195 HA2 GLY 29 HA2 GLY 29 4.212 0.169 -11.991 196 HA3 GLY 29 HA3 GLY 29 4.801 1.707 -11.522 197 H ASP 30 H ASP 30 3.758 -0.161 -9.638 198 HA ASP 30 HA ASP 30 1.072 0.520 -9.015 199 HB2 ASP 30 HB2 ASP 30 3.108 -1.274 -7.984 200 HB3 ASP 30 HB3 ASP 30 2.287 -0.436 -6.671 201 H GLU 31 H GLU 31 3.962 0.956 -7.054 202 HA GLU 31 HA GLU 31 3.011 3.334 -5.787 203 HB2 GLU 31 HB2 GLU 31 5.224 3.291 -4.701 204 HB3 GLU 31 HB3 GLU 31 4.457 1.708 -4.619 205 HG2 GLU 31 HG2 GLU 31 6.101 0.741 -5.776 206 HG3 GLU 31 HG3 GLU 31 6.080 1.999 -7.025 207 H LEU 32 H LEU 32 4.134 2.638 -8.724 208 HA LEU 32 HA LEU 32 5.872 4.923 -9.114 209 HB2 LEU 32 HB2 LEU 32 6.257 2.407 -9.516 210 HB3 LEU 32 HB3 LEU 32 5.364 2.695 -10.963 211 HG LEU 32 HG LEU 32 8.110 3.126 -10.394 212 HD11 LEU 32 HD11 LEU 32 7.015 3.499 -13.066 213 HD12 LEU 32 HD12 LEU 32 6.511 1.998 -12.246 214 HD13 LEU 32 HD13 LEU 32 8.235 2.374 -12.464 215 HD21 LEU 32 HD21 LEU 32 6.747 5.561 -10.598 216 HD22 LEU 32 HD22 LEU 32 7.399 5.244 -12.203 217 HD23 LEU 32 HD23 LEU 32 8.474 5.285 -10.812 218 H GLY 33 H GLY 33 2.647 4.221 -9.642 219 HA2 GLY 33 HA2 GLY 33 1.083 5.597 -10.694 220 HA3 GLY 33 HA3 GLY 33 2.410 6.448 -11.417 221 H CYS 34 H CYS 34 1.225 6.543 -13.371 222 HA CYS 34 HA CYS 34 1.400 4.081 -14.936 223 HB2 CYS 34 HB2 CYS 34 -0.972 5.155 -14.029 224 HB3 CYS 34 HB3 CYS 34 -0.850 5.801 -15.656 225 H PHE 35 H PHE 35 2.912 4.575 -16.449 226 HA PHE 35 HA PHE 35 2.875 7.272 -17.662 227 HB2 PHE 35 HB2 PHE 35 5.112 5.276 -17.960 228 HB3 PHE 35 HB3 PHE 35 5.162 7.019 -18.183 229 HD1 PHE 35 HD1 PHE 35 4.515 4.481 -15.541 230 HD2 PHE 35 HD2 PHE 35 6.080 8.315 -16.523 231 HE1 PHE 35 HE1 PHE 35 5.328 4.728 -13.242 232 HE2 PHE 35 HE2 PHE 35 6.903 8.566 -14.215 233 HZ PHE 35 HZ PHE 35 6.530 6.766 -12.576 234 H VAL 36 H VAL 36 3.180 7.484 -19.927 235 HA VAL 36 HA VAL 36 2.878 5.099 -21.568 236 HB VAL 36 HB VAL 36 1.149 7.462 -22.230 237 HG11 VAL 36 HG11 VAL 36 1.747 5.686 -23.927 238 HG12 VAL 36 HG12 VAL 36 0.013 5.932 -23.650 239 HG13 VAL 36 HG13 VAL 36 0.833 4.544 -22.935 240 HG21 VAL 36 HG21 VAL 36 0.208 5.054 -20.683 241 HG22 VAL 36 HG22 VAL 36 -0.735 6.471 -21.148 242 HG23 VAL 36 HG23 VAL 36 0.552 6.622 -19.952 243 H GLY 37 H GLY 37 4.584 5.181 -22.750 244 HA2 GLY 37 HA2 GLY 37 6.133 5.916 -24.307 245 HA3 GLY 37 HA3 GLY 37 5.041 7.246 -24.658 246 H THR 38 H THR 38 6.174 6.791 -21.412 247 HA THR 38 HA THR 38 7.829 9.219 -21.659 248 HB THR 38 HB THR 38 6.703 7.983 -19.135 249 HG1 THR 38 HG1 THR 38 5.586 10.214 -20.446 250 HG21 THR 38 HG21 THR 38 7.302 10.884 -19.469 251 HG22 THR 38 HG22 THR 38 8.592 9.756 -19.057 252 HG23 THR 38 HG23 THR 38 7.190 9.912 -18.000 253 H ALA 39 H ALA 39 9.832 9.268 -20.286 254 HA ALA 39 HA ALA 39 11.639 7.285 -20.771 255 HB1 ALA 39 HB1 ALA 39 11.739 9.616 -19.405 256 HB2 ALA 39 HB2 ALA 39 13.048 8.433 -19.416 257 HB3 ALA 39 HB3 ALA 39 11.898 8.465 -18.077 258 H GLU 40 H GLU 40 9.732 7.618 -17.830 259 HA GLU 40 HA GLU 40 10.416 5.187 -16.617 260 HB2 GLU 40 HB2 GLU 40 8.531 7.324 -16.173 261 HB3 GLU 40 HB3 GLU 40 7.809 5.761 -15.833 262 HG2 GLU 40 HG2 GLU 40 8.707 6.426 -13.798 263 HG3 GLU 40 HG3 GLU 40 9.886 5.285 -14.445 264 H ALA 41 H ALA 41 9.278 5.288 -19.567 265 HA ALA 41 HA ALA 41 7.636 2.890 -19.284 266 HB1 ALA 41 HB1 ALA 41 6.048 3.709 -20.829 267 HB2 ALA 41 HB2 ALA 41 7.067 5.101 -21.180 268 HB3 ALA 41 HB3 ALA 41 6.286 4.960 -19.608 269 H LEU 42 H LEU 42 10.370 4.034 -20.484 270 HA LEU 42 HA LEU 42 10.362 3.194 -23.167 271 HB2 LEU 42 HB2 LEU 42 12.847 3.340 -22.930 272 HB3 LEU 42 HB3 LEU 42 11.972 4.806 -22.548 273 HG LEU 42 HG LEU 42 12.844 4.901 -20.495 274 HD11 LEU 42 HD11 LEU 42 11.219 3.078 -19.806 275 HD12 LEU 42 HD12 LEU 42 12.673 3.248 -18.828 276 HD13 LEU 42 HD13 LEU 42 12.560 1.950 -20.012 277 HD21 LEU 42 HD21 LEU 42 14.881 3.595 -20.075 278 HD22 LEU 42 HD22 LEU 42 14.839 4.294 -21.694 279 HD23 LEU 42 HD23 LEU 42 14.493 2.580 -21.464 280 H ARG 43 H ARG 43 10.328 1.526 -20.266 281 HA ARG 43 HA ARG 43 12.026 -0.619 -20.648 282 HB2 ARG 43 HB2 ARG 43 10.132 0.160 -18.802 283 HB3 ARG 43 HB3 ARG 43 9.579 -1.395 -19.387 284 HG2 ARG 43 HG2 ARG 43 10.970 -1.719 -17.453 285 HG3 ARG 43 HG3 ARG 43 11.812 -2.332 -18.877 286 HD2 ARG 43 HD2 ARG 43 13.395 -0.713 -18.808 287 HD3 ARG 43 HD3 ARG 43 12.282 0.499 -18.186 288 HE ARG 43 HE ARG 43 12.550 -0.537 -15.988 289 HH11 ARG 43 HH11 ARG 43 14.950 -1.293 -18.420 290 HH12 ARG 43 HH12 ARG 43 16.173 -1.682 -17.262 291 HH21 ARG 43 HH21 ARG 43 14.165 -1.048 -14.476 292 HH22 ARG 43 HH22 ARG 43 15.730 -1.544 -15.027 293 H CYS 44 H CYS 44 9.261 0.120 -22.468 294 HA CYS 44 HA CYS 44 8.586 -2.598 -23.005 295 HB2 CYS 44 HB2 CYS 44 7.603 -0.008 -23.914 296 HB3 CYS 44 HB3 CYS 44 7.313 -1.367 -24.987 297 H GLN 45 H GLN 45 10.968 -0.529 -24.182 298 HA GLN 45 HA GLN 45 11.317 -1.570 -26.769 299 HB2 GLN 45 HB2 GLN 45 12.828 0.076 -24.863 300 HB3 GLN 45 HB3 GLN 45 13.830 -0.861 -25.953 301 HG2 GLN 45 HG2 GLN 45 13.613 0.915 -27.296 302 HG3 GLN 45 HG3 GLN 45 12.059 0.185 -27.696 303 HE21 GLN 45 HE21 GLN 45 13.288 2.071 -24.948 304 HE22 GLN 45 HE22 GLN 45 12.034 3.259 -24.984 305 H GLU 46 H GLU 46 12.082 -2.439 -23.623 306 HA GLU 46 HA GLU 46 14.016 -4.460 -23.947 307 HB2 GLU 46 HB2 GLU 46 12.070 -3.646 -21.862 308 HB3 GLU 46 HB3 GLU 46 12.763 -5.235 -21.723 309 HG2 GLU 46 HG2 GLU 46 15.023 -4.120 -21.928 310 HG3 GLU 46 HG3 GLU 46 14.155 -2.595 -21.732 311 H GLU 47 H GLU 47 10.539 -4.375 -24.208 312 HA GLU 47 HA GLU 47 10.250 -7.250 -24.428 313 HB2 GLU 47 HB2 GLU 47 8.531 -5.562 -23.489 314 HB3 GLU 47 HB3 GLU 47 8.169 -5.205 -25.170 315 HG2 GLU 47 HG2 GLU 47 7.705 -7.649 -25.486 316 HG3 GLU 47 HG3 GLU 47 7.839 -7.824 -23.737 317 H ASN 48 H ASN 48 11.373 -4.887 -26.448 318 HA ASN 48 HA ASN 48 10.307 -6.062 -28.865 319 HB2 ASN 48 HB2 ASN 48 10.228 -3.580 -28.558 320 HB3 ASN 48 HB3 ASN 48 11.989 -3.574 -28.595 321 HD21 ASN 48 HD21 ASN 48 12.877 -3.196 -30.483 322 HD22 ASN 48 HD22 ASN 48 12.142 -3.446 -32.027 323 H TYR 49 H TYR 49 12.994 -6.356 -26.876 324 HA TYR 49 HA TYR 49 14.813 -6.975 -29.103 325 HB2 TYR 49 HB2 TYR 49 15.197 -6.448 -26.173 326 HB3 TYR 49 HB3 TYR 49 16.433 -7.329 -27.076 327 HD1 TYR 49 HD1 TYR 49 17.448 -6.209 -29.120 328 HD2 TYR 49 HD2 TYR 49 15.075 -4.106 -26.284 329 HE1 TYR 49 HE1 TYR 49 18.365 -4.080 -29.939 330 HE2 TYR 49 HE2 TYR 49 15.986 -1.971 -27.095 331 HH TYR 49 HH TYR 49 18.381 -1.366 -28.389 332 H LEU 50 H LEU 50 12.796 -8.504 -26.785 333 HA LEU 50 HA LEU 50 13.695 -11.112 -27.732 334 HB2 LEU 50 HB2 LEU 50 14.768 -10.389 -25.465 335 HB3 LEU 50 HB3 LEU 50 13.188 -10.754 -24.802 336 HG LEU 50 HG LEU 50 13.488 -13.055 -25.970 337 HD11 LEU 50 HD11 LEU 50 15.358 -13.176 -27.189 338 HD12 LEU 50 HD12 LEU 50 16.178 -13.393 -25.643 339 HD13 LEU 50 HD13 LEU 50 16.093 -11.793 -26.379 340 HD21 LEU 50 HD21 LEU 50 13.548 -12.442 -23.483 341 HD22 LEU 50 HD22 LEU 50 15.302 -12.545 -23.636 342 HD23 LEU 50 HD23 LEU 50 14.303 -13.958 -23.976 343 HA PRO 51 HA PRO 51 9.138 -10.721 -28.240 344 HB2 PRO 51 HB2 PRO 51 9.913 -13.374 -29.405 345 HB3 PRO 51 HB3 PRO 51 8.716 -12.202 -29.982 346 HG2 PRO 51 HG2 PRO 51 11.065 -12.262 -31.147 347 HG3 PRO 51 HG3 PRO 51 10.360 -10.695 -30.692 348 HD2 PRO 51 HD2 PRO 51 12.548 -12.240 -29.358 349 HD3 PRO 51 HD3 PRO 51 12.393 -10.487 -29.606 350 H SER 52 H SER 52 8.942 -10.947 -25.889 351 HA SER 52 HA SER 52 7.397 -13.075 -25.078 352 HB2 SER 52 HB2 SER 52 9.371 -14.505 -25.274 353 HB3 SER 52 HB3 SER 52 10.278 -13.427 -24.215 354 HG SER 52 HG SER 52 7.880 -14.697 -23.413 355 HA PRO 53 HA PRO 53 7.396 -9.876 -21.910 356 HB2 PRO 53 HB2 PRO 53 4.728 -9.858 -21.520 357 HB3 PRO 53 HB3 PRO 53 5.480 -9.116 -22.934 358 HG2 PRO 53 HG2 PRO 53 3.864 -11.560 -22.750 359 HG3 PRO 53 HG3 PRO 53 4.236 -10.564 -24.164 360 HD2 PRO 53 HD2 PRO 53 5.481 -13.036 -23.313 361 HD3 PRO 53 HD3 PRO 53 5.761 -12.107 -24.799 362 H CYS 54 H CYS 54 4.985 -12.450 -21.418 363 HA CYS 54 HA CYS 54 4.679 -13.983 -19.783 364 HB2 CYS 54 HB2 CYS 54 7.041 -14.327 -19.610 365 HB3 CYS 54 HB3 CYS 54 7.234 -12.828 -18.734 366 H GLN 55 H GLN 55 3.558 -13.979 -17.812 367 HA GLN 55 HA GLN 55 2.216 -13.100 -16.213 368 HB2 GLN 55 HB2 GLN 55 4.228 -12.261 -15.145 369 HB3 GLN 55 HB3 GLN 55 4.236 -10.850 -16.192 370 HG2 GLN 55 HG2 GLN 55 1.726 -10.917 -14.902 371 HG3 GLN 55 HG3 GLN 55 2.945 -11.245 -13.678 372 HE21 GLN 55 HE21 GLN 55 5.032 -9.743 -14.798 373 HE22 GLN 55 HE22 GLN 55 4.635 -8.071 -14.645 374 H SER 56 H SER 56 2.267 -12.156 -19.212 375 HA SER 56 HA SER 56 1.043 -9.648 -19.280 376 HB2 SER 56 HB2 SER 56 0.331 -10.277 -21.567 377 HB3 SER 56 HB3 SER 56 2.035 -10.633 -21.279 378 HG SER 56 HG SER 56 0.403 -12.297 -22.236 379 H GLY 57 H GLY 57 -1.208 -9.183 -19.859 380 HA2 GLY 57 HA2 GLY 57 -3.393 -10.706 -19.912 381 HA3 GLY 57 HA3 GLY 57 -2.986 -10.788 -18.205 382 H GLN 58 H GLN 58 -4.337 -8.885 -20.734 383 HA GLN 58 HA GLN 58 -4.356 -6.356 -19.606 384 HB2 GLN 58 HB2 GLN 58 -6.570 -7.579 -21.248 385 HB3 GLN 58 HB3 GLN 58 -6.116 -5.896 -21.139 386 HG2 GLN 58 HG2 GLN 58 -3.988 -6.387 -22.235 387 HG3 GLN 58 HG3 GLN 58 -4.469 -8.076 -22.375 388 HE21 GLN 58 HE21 GLN 58 -4.114 -5.430 -24.120 389 HE22 GLN 58 HE22 GLN 58 -5.376 -5.624 -25.284 390 H LYS 59 H LYS 59 -5.501 -5.444 -18.008 391 HA LYS 59 HA LYS 59 -7.409 -7.034 -16.549 392 HB2 LYS 59 HB2 LYS 59 -5.356 -5.928 -15.465 393 HB3 LYS 59 HB3 LYS 59 -6.292 -4.450 -15.586 394 HG2 LYS 59 HG2 LYS 59 -7.932 -5.235 -14.098 395 HG3 LYS 59 HG3 LYS 59 -7.392 -6.906 -14.258 396 HD2 LYS 59 HD2 LYS 59 -5.174 -5.421 -13.339 397 HD3 LYS 59 HD3 LYS 59 -6.559 -4.905 -12.380 398 HE2 LYS 59 HE2 LYS 59 -6.689 -7.725 -12.611 399 HE3 LYS 59 HE3 LYS 59 -5.034 -7.302 -12.175 400 HZ1 LYS 59 HZ1 LYS 59 -7.135 -7.505 -10.458 401 HZ2 LYS 59 HZ2 LYS 59 -6.978 -5.835 -10.669 402 HZ3 LYS 59 HZ3 LYS 59 -5.659 -6.745 -10.129 403 HA PRO 60 HA PRO 60 -9.581 -3.475 -19.119 404 HB2 PRO 60 HB2 PRO 60 -11.408 -5.784 -19.543 405 HB3 PRO 60 HB3 PRO 60 -11.007 -4.443 -20.622 406 HG2 PRO 60 HG2 PRO 60 -9.908 -6.898 -20.887 407 HG3 PRO 60 HG3 PRO 60 -9.046 -5.413 -21.316 408 HD2 PRO 60 HD2 PRO 60 -8.603 -7.246 -19.065 409 HD3 PRO 60 HD3 PRO 60 -7.519 -6.039 -19.765 410 H CYS 61 H CYS 61 -11.087 -2.156 -18.130 411 HA CYS 61 HA CYS 61 -13.023 -3.323 -16.376 412 HB2 CYS 61 HB2 CYS 61 -12.297 -1.362 -14.755 413 HB3 CYS 61 HB3 CYS 61 -11.623 -2.974 -14.638 414 H GLY 62 H GLY 62 -14.716 -2.142 -15.961 415 HA2 GLY 62 HA2 GLY 62 -15.845 -0.488 -17.756 416 HA3 GLY 62 HA3 GLY 62 -16.303 -0.463 -16.067 417 H SER 63 H SER 63 -13.148 0.630 -16.193 418 HA SER 63 HA SER 63 -14.109 3.343 -16.125 419 HB2 SER 63 HB2 SER 63 -12.686 2.513 -14.257 420 HB3 SER 63 HB3 SER 63 -11.366 2.367 -15.400 421 HG SER 63 HG SER 63 -11.005 4.368 -14.826 422 H GLY 64 H GLY 64 -14.118 2.072 -18.551 423 HA2 GLY 64 HA2 GLY 64 -13.586 2.348 -20.739 424 HA3 GLY 64 HA3 GLY 64 -13.030 3.917 -20.255 425 H GLY 65 H GLY 65 -11.770 0.619 -19.749 426 HA2 GLY 65 HA2 GLY 65 -9.770 0.527 -21.481 427 HA3 GLY 65 HA3 GLY 65 -9.140 1.564 -20.240 428 H ARG 66 H ARG 66 -7.546 0.040 -19.841 429 HA ARG 66 HA ARG 66 -8.453 -2.357 -18.484 430 HB2 ARG 66 HB2 ARG 66 -5.567 -2.106 -19.030 431 HB3 ARG 66 HB3 ARG 66 -6.583 -3.535 -18.993 432 HG2 ARG 66 HG2 ARG 66 -6.395 -1.514 -21.218 433 HG3 ARG 66 HG3 ARG 66 -5.858 -3.197 -21.243 434 HD2 ARG 66 HD2 ARG 66 -8.301 -3.774 -20.720 435 HD3 ARG 66 HD3 ARG 66 -8.654 -2.118 -21.200 436 HE ARG 66 HE ARG 66 -7.172 -3.811 -23.062 437 HH11 ARG 66 HH11 ARG 66 -10.165 -2.208 -22.217 438 HH12 ARG 66 HH12 ARG 66 -10.841 -2.380 -23.801 439 HH21 ARG 66 HH21 ARG 66 -8.076 -4.039 -25.135 440 HH22 ARG 66 HH22 ARG 66 -9.662 -3.419 -25.451 441 H CYS 67 H CYS 67 -7.408 -3.002 -16.488 442 HA CYS 67 HA CYS 67 -7.077 -0.773 -14.783 443 HB2 CYS 67 HB2 CYS 67 -8.138 -2.953 -14.182 444 HB3 CYS 67 HB3 CYS 67 -6.543 -3.630 -14.219 445 H ALA 68 H ALA 68 -5.254 -0.210 -16.438 446 HA ALA 68 HA ALA 68 -2.802 -1.228 -16.568 447 HB1 ALA 68 HB1 ALA 68 -2.016 1.267 -16.367 448 HB2 ALA 68 HB2 ALA 68 -3.757 1.563 -16.416 449 HB3 ALA 68 HB3 ALA 68 -2.964 0.699 -17.738 450 H ALA 69 H ALA 69 -2.473 1.567 -14.442 451 HA ALA 69 HA ALA 69 -0.648 0.322 -12.811 452 HB1 ALA 69 HB1 ALA 69 -1.971 2.997 -12.528 453 HB2 ALA 69 HB2 ALA 69 -0.526 2.648 -13.465 454 HB3 ALA 69 HB3 ALA 69 -0.502 2.471 -11.719 455 H ALA 70 H ALA 70 -1.239 1.716 -10.461 456 HA ALA 70 HA ALA 70 -2.563 -0.300 -8.913 457 HB1 ALA 70 HB1 ALA 70 -0.950 1.948 -8.289 458 HB2 ALA 70 HB2 ALA 70 -1.576 0.721 -7.185 459 HB3 ALA 70 HB3 ALA 70 -2.528 2.183 -7.513 460 H GLY 71 H GLY 71 -4.760 -0.465 -9.385 461 HA2 GLY 71 HA2 GLY 71 -6.938 0.224 -9.490 462 HA3 GLY 71 HA3 GLY 71 -6.434 1.556 -8.498 463 H ILE 72 H ILE 72 -5.047 1.040 -11.582 464 HA ILE 72 HA ILE 72 -6.336 3.431 -12.589 465 HB ILE 72 HB ILE 72 -3.580 2.395 -13.007 466 HG12 ILE 72 HG12 ILE 72 -4.657 4.603 -11.750 467 HG13 ILE 72 HG13 ILE 72 -2.977 4.388 -12.199 468 HG21 ILE 72 HG21 ILE 72 -3.481 4.062 -15.002 469 HG22 ILE 72 HG22 ILE 72 -5.207 3.747 -15.121 470 HG23 ILE 72 HG23 ILE 72 -4.062 2.421 -15.265 471 HD11 ILE 72 HD11 ILE 72 -3.103 5.810 -13.972 472 HD12 ILE 72 HD12 ILE 72 -4.270 6.550 -12.876 473 HD13 ILE 72 HD13 ILE 72 -4.836 5.545 -14.222 474 H CYS 73 H CYS 73 -7.380 3.382 -14.519 475 HA CYS 73 HA CYS 73 -7.378 0.857 -15.895 476 HB2 CYS 73 HB2 CYS 73 -9.503 1.363 -14.540 477 HB3 CYS 73 HB3 CYS 73 -9.864 2.560 -15.747 478 H CYS 74 H CYS 74 -6.203 1.215 -17.501 479 HA CYS 74 HA CYS 74 -6.520 3.649 -19.117 480 HB2 CYS 74 HB2 CYS 74 -4.602 3.835 -17.716 481 HB3 CYS 74 HB3 CYS 74 -4.105 2.212 -18.083 482 H SER 75 H SER 75 -5.691 3.442 -21.255 483 HA SER 75 HA SER 75 -5.736 0.681 -22.210 484 HB2 SER 75 HB2 SER 75 -6.525 3.239 -23.636 485 HB3 SER 75 HB3 SER 75 -6.599 1.634 -24.342 486 HG SER 75 HG SER 75 -7.972 2.237 -21.960 487 HA PRO 76 HA PRO 76 -1.846 2.059 -24.113 488 HB2 PRO 76 HB2 PRO 76 -1.960 2.550 -26.735 489 HB3 PRO 76 HB3 PRO 76 -2.301 0.937 -26.106 490 HG2 PRO 76 HG2 PRO 76 -4.151 2.969 -27.191 491 HG3 PRO 76 HG3 PRO 76 -4.297 1.205 -27.169 492 HD2 PRO 76 HD2 PRO 76 -5.513 3.061 -25.385 493 HD3 PRO 76 HD3 PRO 76 -5.539 1.289 -25.305 494 H ASP 77 H ASP 77 -4.410 4.183 -25.090 495 HA ASP 77 HA ASP 77 -2.972 6.431 -25.911 496 HB2 ASP 77 HB2 ASP 77 -5.599 5.601 -25.977 497 HB3 ASP 77 HB3 ASP 77 -5.652 7.006 -24.916 498 H GLY 78 H GLY 78 -4.922 6.098 -22.912 499 HA2 GLY 78 HA2 GLY 78 -2.851 7.488 -21.495 500 HA3 GLY 78 HA3 GLY 78 -4.318 8.412 -21.604 501 H CYS 79 H CYS 79 -3.057 7.424 -19.153 502 HA CYS 79 HA CYS 79 -5.065 5.488 -18.309 503 HB2 CYS 79 HB2 CYS 79 -2.596 6.065 -16.792 504 HB3 CYS 79 HB3 CYS 79 -3.539 4.603 -16.804 505 H GLU 80 H GLU 80 -6.300 5.815 -16.674 506 HA GLU 80 HA GLU 80 -5.878 8.081 -14.903 507 HB2 GLU 80 HB2 GLU 80 -8.288 8.676 -15.104 508 HB3 GLU 80 HB3 GLU 80 -7.387 8.897 -16.599 509 HG2 GLU 80 HG2 GLU 80 -8.655 7.439 -17.693 510 HG3 GLU 80 HG3 GLU 80 -8.529 6.245 -16.405 511 H GLU 81 H GLU 81 -5.984 7.453 -12.806 512 HA GLU 81 HA GLU 81 -6.398 4.976 -11.949 513 HB2 GLU 81 HB2 GLU 81 -7.100 6.287 -9.729 514 HB3 GLU 81 HB3 GLU 81 -5.464 6.224 -10.350 515 HG2 GLU 81 HG2 GLU 81 -5.376 8.385 -10.773 516 HG3 GLU 81 HG3 GLU 81 -6.992 8.398 -11.454 517 H ASP 82 H ASP 82 -7.969 3.622 -11.945 518 HA ASP 82 HA ASP 82 -10.689 4.532 -11.971 519 HB2 ASP 82 HB2 ASP 82 -11.196 2.130 -12.534 520 HB3 ASP 82 HB3 ASP 82 -10.196 2.956 -13.714 521 HA PRO 83 HA PRO 83 -10.742 3.813 -7.525 522 HB2 PRO 83 HB2 PRO 83 -13.616 4.286 -8.176 523 HB3 PRO 83 HB3 PRO 83 -12.637 5.025 -6.899 524 HG2 PRO 83 HG2 PRO 83 -13.254 6.402 -9.062 525 HG3 PRO 83 HG3 PRO 83 -11.615 6.496 -8.393 526 HD2 PRO 83 HD2 PRO 83 -12.616 4.942 -10.737 527 HD3 PRO 83 HD3 PRO 83 -11.092 5.821 -10.560 528 H ALA 84 H ALA 84 -12.422 2.470 -10.100 529 HA ALA 84 HA ALA 84 -13.792 0.401 -8.860 530 HB1 ALA 84 HB1 ALA 84 -13.165 1.335 -11.486 531 HB2 ALA 84 HB2 ALA 84 -14.491 0.272 -10.988 532 HB3 ALA 84 HB3 ALA 84 -12.921 -0.413 -11.417 533 H CYS 85 H CYS 85 -10.514 0.882 -9.899 534 HA CYS 85 HA CYS 85 -9.849 -1.808 -9.241 535 HB2 CYS 85 HB2 CYS 85 -8.603 0.109 -11.040 536 HB3 CYS 85 HB3 CYS 85 -7.496 -0.854 -10.095 537 H ASP 86 H ASP 86 -8.896 1.439 -7.830 538 HA ASP 86 HA ASP 86 -8.090 0.182 -5.415 539 HB2 ASP 86 HB2 ASP 86 -6.512 -0.807 -7.203 540 HB3 ASP 86 HB3 ASP 86 -5.698 0.748 -7.063 541 HA PRO 87 HA PRO 87 -5.673 4.239 -5.178 542 HB2 PRO 87 HB2 PRO 87 -5.785 5.905 -7.420 543 HB3 PRO 87 HB3 PRO 87 -4.542 4.725 -7.057 544 HG2 PRO 87 HG2 PRO 87 -6.278 4.562 -9.212 545 HG3 PRO 87 HG3 PRO 87 -5.372 3.225 -8.500 546 HD2 PRO 87 HD2 PRO 87 -8.193 4.053 -7.923 547 HD3 PRO 87 HD3 PRO 87 -7.579 2.441 -8.291 548 H GLU 88 H GLU 88 -7.802 5.633 -7.449 549 HA GLU 88 HA GLU 88 -8.660 7.712 -5.691 550 HB2 GLU 88 HB2 GLU 88 -8.572 7.727 -8.305 551 HB3 GLU 88 HB3 GLU 88 -10.098 6.869 -8.197 552 HG2 GLU 88 HG2 GLU 88 -11.002 8.774 -6.856 553 HG3 GLU 88 HG3 GLU 88 -9.512 9.645 -7.216 554 H ALA 89 H ALA 89 -9.118 4.591 -5.992 555 HA ALA 89 HA ALA 89 -11.738 3.920 -5.838 556 HB1 ALA 89 HB1 ALA 89 -9.998 2.037 -4.560 557 HB2 ALA 89 HB2 ALA 89 -9.302 2.713 -6.031 558 HB3 ALA 89 HB3 ALA 89 -10.877 1.937 -6.079 559 H ALA 90 H ALA 90 -12.129 2.166 -4.383 560 HA ALA 90 HA ALA 90 -12.909 2.902 -1.718 561 HB1 ALA 90 HB1 ALA 90 -13.885 0.861 -3.725 562 HB2 ALA 90 HB2 ALA 90 -14.708 2.380 -3.319 563 HB3 ALA 90 HB3 ALA 90 -14.577 1.100 -2.109 564 H PHE 91 H PHE 91 -13.320 0.075 -1.003 565 HA PHE 91 HA PHE 91 -10.698 -0.532 -0.229 566 HB2 PHE 91 HB2 PHE 91 -13.094 -1.441 0.585 567 HB3 PHE 91 HB3 PHE 91 -12.593 -2.806 -0.411 568 HD1 PHE 91 HD1 PHE 91 -10.891 -0.500 1.977 569 HD2 PHE 91 HD2 PHE 91 -11.677 -4.520 0.818 570 HE1 PHE 91 HE1 PHE 91 -9.447 -1.302 3.798 571 HE2 PHE 91 HE2 PHE 91 -10.231 -5.330 2.638 572 HZ PHE 91 HZ PHE 91 -9.113 -3.720 4.130 573 H SER 92 H SER 92 -11.848 -0.644 -3.314 574 HA SER 92 HA SER 92 -10.947 -3.074 -4.321 575 HB2 SER 92 HB2 SER 92 -12.411 -1.601 -5.591 576 HB3 SER 92 HB3 SER 92 -11.197 -0.305 -5.584 577 HG SER 92 HG SER 92 -9.970 -2.347 -6.632 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 -3.963 -18.311 -18.785 2 H2 ALA 1 H2 ALA 1 -2.291 -18.625 -18.555 3 H3 ALA 1 H3 ALA 1 -2.883 -17.018 -18.468 4 HA ALA 1 HA ALA 1 -3.723 -17.256 -16.444 5 HB1 ALA 1 HB1 ALA 1 -5.342 -18.875 -16.680 6 HB2 ALA 1 HB2 ALA 1 -4.219 -19.666 -15.574 7 HB3 ALA 1 HB3 ALA 1 -4.206 -20.077 -17.288 8 H VAL 2 H VAL 2 -2.057 -20.378 -16.779 9 HA VAL 2 HA VAL 2 -0.436 -20.047 -14.527 10 HB VAL 2 HB VAL 2 0.311 -21.729 -16.915 11 HG11 VAL 2 HG11 VAL 2 0.942 -23.181 -14.738 12 HG12 VAL 2 HG12 VAL 2 1.163 -21.555 -14.099 13 HG13 VAL 2 HG13 VAL 2 2.059 -22.069 -15.529 14 HG21 VAL 2 HG21 VAL 2 -1.043 -23.304 -15.014 15 HG22 VAL 2 HG22 VAL 2 -1.547 -22.918 -16.658 16 HG23 VAL 2 HG23 VAL 2 -2.057 -21.893 -15.316 17 H LEU 3 H LEU 3 2.039 -20.076 -14.643 18 HA LEU 3 HA LEU 3 2.892 -17.678 -15.765 19 HB2 LEU 3 HB2 LEU 3 4.006 -19.779 -14.058 20 HB3 LEU 3 HB3 LEU 3 5.179 -18.961 -15.081 21 HG LEU 3 HG LEU 3 5.312 -17.534 -13.351 22 HD11 LEU 3 HD11 LEU 3 4.375 -16.167 -15.048 23 HD12 LEU 3 HD12 LEU 3 3.708 -15.673 -13.483 24 HD13 LEU 3 HD13 LEU 3 2.743 -16.664 -14.583 25 HD21 LEU 3 HD21 LEU 3 3.025 -17.200 -11.965 26 HD22 LEU 3 HD22 LEU 3 4.296 -18.356 -11.565 27 HD23 LEU 3 HD23 LEU 3 2.888 -18.877 -12.492 28 H ASP 4 H ASP 4 4.507 -17.252 -17.157 29 HA ASP 4 HA ASP 4 4.503 -18.784 -19.475 30 HB2 ASP 4 HB2 ASP 4 4.860 -16.318 -19.374 31 HB3 ASP 4 HB3 ASP 4 6.456 -16.612 -18.692 32 H LEU 5 H LEU 5 7.653 -18.089 -19.352 33 HA LEU 5 HA LEU 5 8.341 -20.791 -18.673 34 HB2 LEU 5 HB2 LEU 5 10.535 -20.198 -19.752 35 HB3 LEU 5 HB3 LEU 5 9.125 -20.101 -20.780 36 HG LEU 5 HG LEU 5 9.195 -17.562 -20.048 37 HD11 LEU 5 HD11 LEU 5 11.006 -17.403 -18.681 38 HD12 LEU 5 HD12 LEU 5 11.729 -16.983 -20.220 39 HD13 LEU 5 HD13 LEU 5 11.940 -18.600 -19.554 40 HD21 LEU 5 HD21 LEU 5 9.632 -18.920 -22.329 41 HD22 LEU 5 HD22 LEU 5 11.202 -18.149 -22.101 42 HD23 LEU 5 HD23 LEU 5 9.738 -17.165 -22.181 43 H ASP 6 H ASP 6 11.199 -19.550 -18.216 44 HA ASP 6 HA ASP 6 11.021 -19.594 -15.400 45 HB2 ASP 6 HB2 ASP 6 13.102 -19.449 -17.451 46 HB3 ASP 6 HB3 ASP 6 13.489 -18.508 -16.016 47 H VAL 7 H VAL 7 10.584 -17.258 -17.760 48 HA VAL 7 HA VAL 7 11.237 -14.987 -16.165 49 HB VAL 7 HB VAL 7 10.431 -13.639 -18.057 50 HG11 VAL 7 HG11 VAL 7 12.186 -14.308 -19.677 51 HG12 VAL 7 HG12 VAL 7 12.419 -15.794 -18.758 52 HG13 VAL 7 HG13 VAL 7 12.759 -14.233 -18.013 53 HG21 VAL 7 HG21 VAL 7 10.027 -14.953 -20.229 54 HG22 VAL 7 HG22 VAL 7 8.718 -14.859 -19.050 55 HG23 VAL 7 HG23 VAL 7 9.694 -16.303 -19.160 56 H ARG 8 H ARG 8 9.348 -16.466 -14.863 57 HA ARG 8 HA ARG 8 6.714 -15.844 -15.419 58 HB2 ARG 8 HB2 ARG 8 8.156 -16.518 -12.861 59 HB3 ARG 8 HB3 ARG 8 6.418 -16.422 -12.988 60 HG2 ARG 8 HG2 ARG 8 6.285 -18.331 -14.282 61 HG3 ARG 8 HG3 ARG 8 7.939 -18.204 -14.821 62 HD2 ARG 8 HD2 ARG 8 8.720 -18.800 -12.612 63 HD3 ARG 8 HD3 ARG 8 7.064 -18.857 -12.025 64 HE ARG 8 HE ARG 8 8.150 -20.715 -14.041 65 HH11 ARG 8 HH11 ARG 8 6.097 -20.044 -11.288 66 HH12 ARG 8 HH12 ARG 8 5.527 -21.671 -11.167 67 HH21 ARG 8 HH21 ARG 8 7.393 -22.854 -13.872 68 HH22 ARG 8 HH22 ARG 8 6.259 -23.264 -12.629 69 H THR 9 H THR 9 5.428 -14.109 -14.826 70 HA THR 9 HA THR 9 4.912 -11.986 -14.194 71 HB THR 9 HB THR 9 7.022 -12.680 -12.256 72 HG1 THR 9 HG1 THR 9 5.366 -12.395 -10.825 73 HG21 THR 9 HG21 THR 9 6.227 -9.897 -12.852 74 HG22 THR 9 HG22 THR 9 7.753 -10.529 -12.232 75 HG23 THR 9 HG23 THR 9 6.360 -10.379 -11.161 76 H CYS 10 H CYS 10 5.261 -11.049 -16.133 77 HA CYS 10 HA CYS 10 7.492 -10.806 -17.603 78 HB2 CYS 10 HB2 CYS 10 5.083 -9.072 -17.383 79 HB3 CYS 10 HB3 CYS 10 6.408 -8.557 -18.421 80 H LEU 11 H LEU 11 8.552 -8.636 -18.294 81 HA LEU 11 HA LEU 11 10.390 -8.004 -16.270 82 HB2 LEU 11 HB2 LEU 11 10.867 -8.008 -18.691 83 HB3 LEU 11 HB3 LEU 11 9.906 -6.550 -18.859 84 HG LEU 11 HG LEU 11 11.712 -5.864 -16.894 85 HD11 LEU 11 HD11 LEU 11 13.883 -6.533 -17.608 86 HD12 LEU 11 HD12 LEU 11 13.225 -7.365 -19.018 87 HD13 LEU 11 HD13 LEU 11 12.915 -7.993 -17.400 88 HD21 LEU 11 HD21 LEU 11 10.986 -4.444 -18.713 89 HD22 LEU 11 HD22 LEU 11 11.874 -5.434 -19.865 90 HD23 LEU 11 HD23 LEU 11 12.747 -4.501 -18.650 91 HA PRO 12 HA PRO 12 8.394 -4.700 -14.121 92 HB2 PRO 12 HB2 PRO 12 11.021 -3.811 -13.257 93 HB3 PRO 12 HB3 PRO 12 9.702 -4.486 -12.299 94 HG2 PRO 12 HG2 PRO 12 12.053 -5.769 -12.842 95 HG3 PRO 12 HG3 PRO 12 10.537 -6.581 -12.430 96 HD2 PRO 12 HD2 PRO 12 11.887 -6.302 -15.050 97 HD3 PRO 12 HD3 PRO 12 10.803 -7.578 -14.468 98 H CYS 13 H CYS 13 9.085 -2.325 -13.587 99 HA CYS 13 HA CYS 13 10.324 -0.993 -15.796 100 HB2 CYS 13 HB2 CYS 13 7.872 -1.352 -16.307 101 HB3 CYS 13 HB3 CYS 13 7.526 -0.246 -14.987 102 H GLY 14 H GLY 14 9.374 1.517 -15.173 103 HA2 GLY 14 HA2 GLY 14 9.956 3.348 -13.839 104 HA3 GLY 14 HA3 GLY 14 9.405 2.319 -12.556 105 HA PRO 15 HA PRO 15 13.758 2.901 -11.526 106 HB2 PRO 15 HB2 PRO 15 13.413 3.433 -8.970 107 HB3 PRO 15 HB3 PRO 15 12.776 4.565 -10.179 108 HG2 PRO 15 HG2 PRO 15 11.316 2.378 -8.747 109 HG3 PRO 15 HG3 PRO 15 10.891 4.101 -8.847 110 HD2 PRO 15 HD2 PRO 15 9.867 2.246 -10.544 111 HD3 PRO 15 HD3 PRO 15 10.147 3.919 -11.035 112 H GLY 16 H GLY 16 13.936 0.542 -12.119 113 HA2 GLY 16 HA2 GLY 16 15.153 -1.312 -11.215 114 HA3 GLY 16 HA3 GLY 16 14.347 -1.050 -9.678 115 H GLY 17 H GLY 17 11.848 -1.216 -9.961 116 HA2 GLY 17 HA2 GLY 17 10.730 -2.881 -11.865 117 HA3 GLY 17 HA3 GLY 17 11.195 -3.880 -10.509 118 H LYS 18 H LYS 18 10.188 -0.613 -10.429 119 HA LYS 18 HA LYS 18 8.280 -0.866 -8.407 120 HB2 LYS 18 HB2 LYS 18 9.421 1.131 -10.149 121 HB3 LYS 18 HB3 LYS 18 7.758 1.445 -9.736 122 HG2 LYS 18 HG2 LYS 18 9.639 2.435 -8.330 123 HG3 LYS 18 HG3 LYS 18 8.200 1.792 -7.560 124 HD2 LYS 18 HD2 LYS 18 9.343 -0.296 -7.156 125 HD3 LYS 18 HD3 LYS 18 10.783 0.304 -7.949 126 HE2 LYS 18 HE2 LYS 18 11.410 0.823 -5.844 127 HE3 LYS 18 HE3 LYS 18 10.401 2.245 -6.112 128 HZ1 LYS 18 HZ1 LYS 18 10.032 0.881 -4.000 129 HZ2 LYS 18 HZ2 LYS 18 9.260 -0.241 -5.000 130 HZ3 LYS 18 HZ3 LYS 18 8.667 1.339 -4.888 131 H GLY 19 H GLY 19 8.246 -1.142 -11.771 132 HA2 GLY 19 HA2 GLY 19 5.466 -1.796 -11.826 133 HA3 GLY 19 HA3 GLY 19 5.988 -0.485 -12.869 134 H ARG 20 H ARG 20 5.523 -1.553 -14.663 135 HA ARG 20 HA ARG 20 7.528 -3.255 -15.731 136 HB2 ARG 20 HB2 ARG 20 6.191 -5.165 -16.227 137 HB3 ARG 20 HB3 ARG 20 6.133 -4.857 -14.496 138 HG2 ARG 20 HG2 ARG 20 3.947 -4.500 -14.516 139 HG3 ARG 20 HG3 ARG 20 4.064 -3.504 -15.963 140 HD2 ARG 20 HD2 ARG 20 2.956 -5.185 -16.952 141 HD3 ARG 20 HD3 ARG 20 4.537 -5.960 -16.995 142 HE ARG 20 HE ARG 20 2.339 -6.568 -15.170 143 HH11 ARG 20 HH11 ARG 20 5.611 -7.201 -16.215 144 HH12 ARG 20 HH12 ARG 20 5.704 -8.718 -15.392 145 HH21 ARG 20 HH21 ARG 20 2.470 -8.568 -14.092 146 HH22 ARG 20 HH22 ARG 20 3.928 -9.498 -14.194 147 H CYS 21 H CYS 21 6.637 -4.038 -18.053 148 HA CYS 21 HA CYS 21 5.280 -1.685 -19.212 149 HB2 CYS 21 HB2 CYS 21 6.791 -1.530 -20.865 150 HB3 CYS 21 HB3 CYS 21 7.802 -2.499 -19.813 151 H PHE 22 H PHE 22 3.380 -2.041 -20.346 152 HA PHE 22 HA PHE 22 2.457 -4.792 -20.285 153 HB2 PHE 22 HB2 PHE 22 1.058 -2.135 -20.492 154 HB3 PHE 22 HB3 PHE 22 0.219 -3.663 -20.625 155 HD1 PHE 22 HD1 PHE 22 3.008 -2.664 -18.357 156 HD2 PHE 22 HD2 PHE 22 -1.091 -3.770 -18.725 157 HE1 PHE 22 HE1 PHE 22 2.793 -2.722 -15.917 158 HE2 PHE 22 HE2 PHE 22 -1.286 -3.839 -16.274 159 HZ PHE 22 HZ PHE 22 0.664 -3.323 -14.869 160 H GLY 23 H GLY 23 3.900 -2.986 -22.649 161 HA2 GLY 23 HA2 GLY 23 3.743 -4.523 -24.729 162 HA3 GLY 23 HA3 GLY 23 2.066 -4.041 -24.714 163 HA PRO 24 HA PRO 24 3.358 -0.753 -27.322 164 HB2 PRO 24 HB2 PRO 24 1.284 0.919 -27.237 165 HB3 PRO 24 HB3 PRO 24 1.094 -0.750 -27.787 166 HG2 PRO 24 HG2 PRO 24 0.292 0.488 -25.217 167 HG3 PRO 24 HG3 PRO 24 -0.446 -0.837 -26.129 168 HD2 PRO 24 HD2 PRO 24 1.291 -1.042 -23.896 169 HD3 PRO 24 HD3 PRO 24 0.679 -2.367 -24.913 170 H SER 25 H SER 25 5.232 -0.043 -26.024 171 HA SER 25 HA SER 25 6.501 1.577 -24.997 172 HB2 SER 25 HB2 SER 25 5.227 2.832 -26.965 173 HB3 SER 25 HB3 SER 25 4.401 3.626 -25.618 174 HG SER 25 HG SER 25 6.854 4.090 -26.595 175 H ILE 26 H ILE 26 4.010 0.317 -23.666 176 HA ILE 26 HA ILE 26 3.423 2.383 -21.718 177 HB ILE 26 HB ILE 26 1.748 0.802 -23.006 178 HG12 ILE 26 HG12 ILE 26 1.194 1.333 -20.118 179 HG13 ILE 26 HG13 ILE 26 1.396 2.669 -21.269 180 HG21 ILE 26 HG21 ILE 26 2.632 -1.274 -22.082 181 HG22 ILE 26 HG22 ILE 26 0.963 -0.992 -21.586 182 HG23 ILE 26 HG23 ILE 26 2.281 -0.679 -20.452 183 HD11 ILE 26 HD11 ILE 26 -0.923 1.166 -20.777 184 HD12 ILE 26 HD12 ILE 26 -0.345 0.682 -22.379 185 HD13 ILE 26 HD13 ILE 26 -0.675 2.375 -22.030 186 H CYS 27 H CYS 27 3.185 1.893 -19.542 187 HA CYS 27 HA CYS 27 4.563 -0.306 -18.380 188 HB2 CYS 27 HB2 CYS 27 5.786 2.227 -18.868 189 HB3 CYS 27 HB3 CYS 27 5.794 1.855 -17.169 190 H CYS 28 H CYS 28 4.053 -0.547 -16.216 191 HA CYS 28 HA CYS 28 2.433 1.469 -14.927 192 HB2 CYS 28 HB2 CYS 28 1.195 -0.564 -16.270 193 HB3 CYS 28 HB3 CYS 28 1.324 -1.238 -14.651 194 H GLY 29 H GLY 29 3.106 1.699 -12.899 195 HA2 GLY 29 HA2 GLY 29 4.514 -0.532 -11.698 196 HA3 GLY 29 HA3 GLY 29 4.875 1.119 -11.383 197 H ASP 30 H ASP 30 4.382 -0.560 -9.236 198 HA ASP 30 HA ASP 30 1.637 -0.514 -8.517 199 HB2 ASP 30 HB2 ASP 30 3.295 -2.155 -7.596 200 HB3 ASP 30 HB3 ASP 30 4.027 -0.840 -6.685 201 H GLU 31 H GLU 31 4.217 0.950 -6.595 202 HA GLU 31 HA GLU 31 2.597 3.155 -5.811 203 HB2 GLU 31 HB2 GLU 31 4.636 3.923 -4.678 204 HB3 GLU 31 HB3 GLU 31 4.370 2.214 -4.361 205 HG2 GLU 31 HG2 GLU 31 6.344 1.681 -5.215 206 HG3 GLU 31 HG3 GLU 31 5.991 2.538 -6.717 207 H LEU 32 H LEU 32 4.022 2.334 -8.569 208 HA LEU 32 HA LEU 32 5.233 4.779 -9.390 209 HB2 LEU 32 HB2 LEU 32 5.446 2.071 -9.754 210 HB3 LEU 32 HB3 LEU 32 4.880 2.664 -11.267 211 HG LEU 32 HG LEU 32 7.444 3.076 -9.932 212 HD11 LEU 32 HD11 LEU 32 8.243 1.975 -11.706 213 HD12 LEU 32 HD12 LEU 32 7.128 2.755 -12.829 214 HD13 LEU 32 HD13 LEU 32 6.571 1.407 -11.825 215 HD21 LEU 32 HD21 LEU 32 8.037 4.971 -11.070 216 HD22 LEU 32 HD22 LEU 32 6.361 5.332 -10.662 217 HD23 LEU 32 HD23 LEU 32 6.777 4.747 -12.270 218 H GLY 33 H GLY 33 2.217 3.193 -9.832 219 HA2 GLY 33 HA2 GLY 33 0.300 3.936 -10.895 220 HA3 GLY 33 HA3 GLY 33 1.177 5.378 -11.324 221 H CYS 34 H CYS 34 0.100 5.170 -13.434 222 HA CYS 34 HA CYS 34 1.443 3.141 -15.074 223 HB2 CYS 34 HB2 CYS 34 -1.276 3.456 -14.706 224 HB3 CYS 34 HB3 CYS 34 -0.968 4.189 -16.273 225 H PHE 35 H PHE 35 2.409 3.705 -16.922 226 HA PHE 35 HA PHE 35 2.170 6.487 -17.863 227 HB2 PHE 35 HB2 PHE 35 4.848 5.248 -18.089 228 HB3 PHE 35 HB3 PHE 35 4.405 6.926 -17.913 229 HD1 PHE 35 HD1 PHE 35 4.332 3.765 -15.954 230 HD2 PHE 35 HD2 PHE 35 4.991 7.964 -15.993 231 HE1 PHE 35 HE1 PHE 35 5.010 3.681 -13.591 232 HE2 PHE 35 HE2 PHE 35 5.676 7.885 -13.637 233 HZ PHE 35 HZ PHE 35 5.666 5.757 -12.444 234 H VAL 36 H VAL 36 1.605 6.487 -19.974 235 HA VAL 36 HA VAL 36 2.424 4.153 -21.568 236 HB VAL 36 HB VAL 36 0.282 6.094 -22.407 237 HG11 VAL 36 HG11 VAL 36 0.431 3.241 -23.251 238 HG12 VAL 36 HG12 VAL 36 1.609 4.371 -23.925 239 HG13 VAL 36 HG13 VAL 36 -0.120 4.658 -24.144 240 HG21 VAL 36 HG21 VAL 36 -0.433 3.443 -21.321 241 HG22 VAL 36 HG22 VAL 36 -1.362 4.923 -21.337 242 HG23 VAL 36 HG23 VAL 36 -0.058 4.708 -20.172 243 H GLY 37 H GLY 37 4.021 4.442 -22.870 244 HA2 GLY 37 HA2 GLY 37 5.550 5.444 -24.269 245 HA3 GLY 37 HA3 GLY 37 4.266 6.564 -24.704 246 H THR 38 H THR 38 5.204 6.300 -21.389 247 HA THR 38 HA THR 38 6.273 9.022 -21.485 248 HB THR 38 HB THR 38 5.643 7.436 -19.007 249 HG1 THR 38 HG1 THR 38 3.749 7.378 -20.133 250 HG21 THR 38 HG21 THR 38 5.598 9.379 -17.852 251 HG22 THR 38 HG22 THR 38 5.087 10.330 -19.246 252 HG23 THR 38 HG23 THR 38 6.762 9.830 -19.090 253 H ALA 39 H ALA 39 7.993 9.383 -19.630 254 HA ALA 39 HA ALA 39 10.347 8.079 -20.371 255 HB1 ALA 39 HB1 ALA 39 11.081 9.933 -19.377 256 HB2 ALA 39 HB2 ALA 39 10.821 9.121 -17.834 257 HB3 ALA 39 HB3 ALA 39 9.560 10.152 -18.512 258 H GLU 40 H GLU 40 8.480 7.808 -17.358 259 HA GLU 40 HA GLU 40 9.977 5.638 -16.314 260 HB2 GLU 40 HB2 GLU 40 7.654 7.209 -15.557 261 HB3 GLU 40 HB3 GLU 40 7.484 5.518 -15.125 262 HG2 GLU 40 HG2 GLU 40 8.439 6.749 -13.290 263 HG3 GLU 40 HG3 GLU 40 9.619 5.609 -13.933 264 H ALA 41 H ALA 41 8.351 5.534 -19.071 265 HA ALA 41 HA ALA 41 7.303 2.852 -18.602 266 HB1 ALA 41 HB1 ALA 41 6.222 4.785 -20.595 267 HB2 ALA 41 HB2 ALA 41 5.623 4.670 -18.949 268 HB3 ALA 41 HB3 ALA 41 5.476 3.294 -20.031 269 H LEU 42 H LEU 42 9.627 4.486 -20.215 270 HA LEU 42 HA LEU 42 9.534 3.405 -22.792 271 HB2 LEU 42 HB2 LEU 42 12.002 3.966 -22.770 272 HB3 LEU 42 HB3 LEU 42 10.884 5.286 -22.500 273 HG LEU 42 HG LEU 42 11.744 5.759 -20.491 274 HD11 LEU 42 HD11 LEU 42 10.678 3.613 -19.595 275 HD12 LEU 42 HD12 LEU 42 12.019 4.297 -18.699 276 HD13 LEU 42 HD13 LEU 42 12.290 2.905 -19.740 277 HD21 LEU 42 HD21 LEU 42 13.829 3.945 -21.635 278 HD22 LEU 42 HD22 LEU 42 14.074 4.780 -20.101 279 HD23 LEU 42 HD23 LEU 42 13.796 5.707 -21.575 280 H ARG 43 H ARG 43 10.144 1.943 -19.818 281 HA ARG 43 HA ARG 43 12.156 0.150 -20.192 282 HB2 ARG 43 HB2 ARG 43 9.941 0.435 -18.474 283 HB3 ARG 43 HB3 ARG 43 10.044 -1.242 -18.958 284 HG2 ARG 43 HG2 ARG 43 11.273 -0.851 -16.905 285 HG3 ARG 43 HG3 ARG 43 12.359 -1.326 -18.204 286 HD2 ARG 43 HD2 ARG 43 13.507 0.436 -17.276 287 HD3 ARG 43 HD3 ARG 43 12.601 1.247 -18.552 288 HE ARG 43 HE ARG 43 11.182 1.228 -16.082 289 HH11 ARG 43 HH11 ARG 43 13.727 2.849 -17.831 290 HH12 ARG 43 HH12 ARG 43 13.534 4.342 -16.976 291 HH21 ARG 43 HH21 ARG 43 10.934 3.202 -14.990 292 HH22 ARG 43 HH22 ARG 43 11.956 4.538 -15.348 293 H CYS 44 H CYS 44 9.145 0.191 -21.878 294 HA CYS 44 HA CYS 44 9.170 -2.577 -22.527 295 HB2 CYS 44 HB2 CYS 44 7.307 -0.564 -22.727 296 HB3 CYS 44 HB3 CYS 44 7.723 -0.884 -24.408 297 H GLN 45 H GLN 45 10.802 0.149 -23.676 298 HA GLN 45 HA GLN 45 11.360 -0.655 -26.309 299 HB2 GLN 45 HB2 GLN 45 12.230 1.395 -24.430 300 HB3 GLN 45 HB3 GLN 45 13.507 0.873 -25.505 301 HG2 GLN 45 HG2 GLN 45 12.685 2.443 -26.863 302 HG3 GLN 45 HG3 GLN 45 11.485 1.215 -27.258 303 HE21 GLN 45 HE21 GLN 45 12.082 3.717 -24.811 304 HE22 GLN 45 HE22 GLN 45 10.451 4.285 -24.746 305 H GLU 46 H GLU 46 12.406 -1.561 -23.253 306 HA GLU 46 HA GLU 46 14.948 -2.695 -23.985 307 HB2 GLU 46 HB2 GLU 46 15.223 -3.241 -21.759 308 HB3 GLU 46 HB3 GLU 46 14.072 -1.920 -21.620 309 HG2 GLU 46 HG2 GLU 46 13.221 -3.495 -20.189 310 HG3 GLU 46 HG3 GLU 46 12.283 -3.771 -21.654 311 H GLU 47 H GLU 47 11.648 -3.625 -24.045 312 HA GLU 47 HA GLU 47 12.113 -6.465 -24.252 313 HB2 GLU 47 HB2 GLU 47 9.958 -5.175 -23.500 314 HB3 GLU 47 HB3 GLU 47 9.617 -5.118 -25.224 315 HG2 GLU 47 HG2 GLU 47 8.640 -7.092 -24.943 316 HG3 GLU 47 HG3 GLU 47 10.270 -7.753 -24.820 317 H ASN 48 H ASN 48 12.830 -3.984 -26.268 318 HA ASN 48 HA ASN 48 12.010 -5.166 -28.742 319 HB2 ASN 48 HB2 ASN 48 12.620 -2.588 -27.930 320 HB3 ASN 48 HB3 ASN 48 13.985 -3.037 -28.947 321 HD21 ASN 48 HD21 ASN 48 12.089 -1.042 -29.549 322 HD22 ASN 48 HD22 ASN 48 11.242 -1.526 -30.974 323 H TYR 49 H TYR 49 14.304 -6.070 -26.645 324 HA TYR 49 HA TYR 49 16.344 -6.605 -28.717 325 HB2 TYR 49 HB2 TYR 49 16.443 -6.241 -25.754 326 HB3 TYR 49 HB3 TYR 49 17.607 -7.347 -26.488 327 HD1 TYR 49 HD1 TYR 49 16.213 -4.019 -27.497 328 HD2 TYR 49 HD2 TYR 49 19.673 -6.355 -26.673 329 HE1 TYR 49 HE1 TYR 49 17.641 -2.111 -28.107 330 HE2 TYR 49 HE2 TYR 49 21.109 -4.453 -27.280 331 HH TYR 49 HH TYR 49 20.445 -1.576 -27.284 332 H LEU 50 H LEU 50 14.298 -8.104 -26.261 333 HA LEU 50 HA LEU 50 14.596 -10.654 -27.642 334 HB2 LEU 50 HB2 LEU 50 15.796 -10.076 -25.104 335 HB3 LEU 50 HB3 LEU 50 14.548 -11.288 -24.884 336 HG LEU 50 HG LEU 50 16.789 -11.521 -26.892 337 HD11 LEU 50 HD11 LEU 50 17.141 -11.607 -24.211 338 HD12 LEU 50 HD12 LEU 50 18.100 -12.526 -25.371 339 HD13 LEU 50 HD13 LEU 50 16.740 -13.290 -24.548 340 HD21 LEU 50 HD21 LEU 50 15.167 -13.792 -25.848 341 HD22 LEU 50 HD22 LEU 50 16.004 -13.619 -27.390 342 HD23 LEU 50 HD23 LEU 50 14.489 -12.760 -27.107 343 HA PRO 51 HA PRO 51 10.106 -9.874 -27.245 344 HB2 PRO 51 HB2 PRO 51 10.394 -12.671 -28.307 345 HB3 PRO 51 HB3 PRO 51 9.201 -11.432 -28.730 346 HG2 PRO 51 HG2 PRO 51 11.252 -11.788 -30.326 347 HG3 PRO 51 HG3 PRO 51 10.778 -10.136 -29.877 348 HD2 PRO 51 HD2 PRO 51 13.082 -11.772 -28.901 349 HD3 PRO 51 HD3 PRO 51 12.990 -10.026 -29.213 350 H SER 52 H SER 52 9.439 -9.958 -25.162 351 HA SER 52 HA SER 52 9.165 -12.598 -23.935 352 HB2 SER 52 HB2 SER 52 10.973 -10.500 -23.029 353 HB3 SER 52 HB3 SER 52 9.838 -10.983 -21.770 354 HG SER 52 HG SER 52 11.845 -12.455 -23.029 355 HA PRO 53 HA PRO 53 5.536 -9.739 -23.142 356 HB2 PRO 53 HB2 PRO 53 3.831 -10.366 -25.096 357 HB3 PRO 53 HB3 PRO 53 5.158 -9.232 -25.384 358 HG2 PRO 53 HG2 PRO 53 4.917 -12.104 -26.156 359 HG3 PRO 53 HG3 PRO 53 5.630 -10.755 -27.057 360 HD2 PRO 53 HD2 PRO 53 7.045 -12.632 -25.549 361 HD3 PRO 53 HD3 PRO 53 7.663 -11.063 -26.094 362 H CYS 54 H CYS 54 5.808 -11.542 -21.454 363 HA CYS 54 HA CYS 54 4.265 -13.899 -21.751 364 HB2 CYS 54 HB2 CYS 54 5.054 -14.470 -19.606 365 HB3 CYS 54 HB3 CYS 54 6.369 -13.588 -20.364 366 H GLN 55 H GLN 55 3.282 -13.893 -18.995 367 HA GLN 55 HA GLN 55 0.666 -13.586 -19.093 368 HB2 GLN 55 HB2 GLN 55 1.916 -14.268 -17.097 369 HB3 GLN 55 HB3 GLN 55 2.364 -12.592 -16.800 370 HG2 GLN 55 HG2 GLN 55 0.541 -12.356 -15.576 371 HG3 GLN 55 HG3 GLN 55 -0.442 -12.652 -17.002 372 HE21 GLN 55 HE21 GLN 55 -0.391 -15.139 -17.577 373 HE22 GLN 55 HE22 GLN 55 -0.816 -16.163 -16.254 374 H SER 56 H SER 56 -0.950 -12.035 -18.545 375 HA SER 56 HA SER 56 -0.530 -9.340 -18.062 376 HB2 SER 56 HB2 SER 56 0.439 -9.280 -20.318 377 HB3 SER 56 HB3 SER 56 -1.058 -9.938 -20.978 378 HG SER 56 HG SER 56 -1.857 -8.004 -20.960 379 H GLY 57 H GLY 57 -2.508 -8.061 -18.148 380 HA2 GLY 57 HA2 GLY 57 -4.861 -7.858 -18.461 381 HA3 GLY 57 HA3 GLY 57 -4.980 -9.608 -18.570 382 H GLN 58 H GLN 58 -5.236 -6.880 -16.568 383 HA GLN 58 HA GLN 58 -5.532 -8.601 -14.211 384 HB2 GLN 58 HB2 GLN 58 -4.018 -6.159 -14.679 385 HB3 GLN 58 HB3 GLN 58 -4.989 -6.139 -13.217 386 HG2 GLN 58 HG2 GLN 58 -3.559 -8.632 -13.617 387 HG3 GLN 58 HG3 GLN 58 -2.500 -7.238 -13.485 388 HE21 GLN 58 HE21 GLN 58 -2.345 -9.134 -11.593 389 HE22 GLN 58 HE22 GLN 58 -3.019 -8.572 -10.104 390 H LYS 59 H LYS 59 -7.182 -8.282 -12.883 391 HA LYS 59 HA LYS 59 -9.630 -8.037 -13.239 392 HB2 LYS 59 HB2 LYS 59 -9.016 -7.964 -10.974 393 HB3 LYS 59 HB3 LYS 59 -8.194 -6.427 -11.152 394 HG2 LYS 59 HG2 LYS 59 -10.951 -6.038 -11.746 395 HG3 LYS 59 HG3 LYS 59 -10.814 -6.940 -10.238 396 HD2 LYS 59 HD2 LYS 59 -8.899 -4.761 -10.376 397 HD3 LYS 59 HD3 LYS 59 -10.560 -4.194 -10.548 398 HE2 LYS 59 HE2 LYS 59 -9.448 -5.875 -8.304 399 HE3 LYS 59 HE3 LYS 59 -9.923 -4.180 -8.215 400 HZ1 LYS 59 HZ1 LYS 59 -12.058 -4.723 -7.974 401 HZ2 LYS 59 HZ2 LYS 59 -11.510 -6.279 -7.605 402 HZ3 LYS 59 HZ3 LYS 59 -12.011 -5.911 -9.177 403 HA PRO 60 HA PRO 60 -9.734 -4.593 -16.243 404 HB2 PRO 60 HB2 PRO 60 -12.235 -6.034 -16.830 405 HB3 PRO 60 HB3 PRO 60 -10.989 -5.448 -17.928 406 HG2 PRO 60 HG2 PRO 60 -11.251 -8.047 -17.244 407 HG3 PRO 60 HG3 PRO 60 -9.709 -7.315 -17.653 408 HD2 PRO 60 HD2 PRO 60 -10.698 -8.197 -15.046 409 HD3 PRO 60 HD3 PRO 60 -9.038 -7.925 -15.604 410 H CYS 61 H CYS 61 -11.236 -3.081 -16.874 411 HA CYS 61 HA CYS 61 -13.662 -2.658 -15.431 412 HB2 CYS 61 HB2 CYS 61 -12.946 -0.282 -14.727 413 HB3 CYS 61 HB3 CYS 61 -12.506 -1.652 -13.721 414 H GLY 62 H GLY 62 -14.853 -0.720 -16.020 415 HA2 GLY 62 HA2 GLY 62 -14.757 -0.388 -18.832 416 HA3 GLY 62 HA3 GLY 62 -16.012 0.121 -17.733 417 H SER 63 H SER 63 -12.766 1.130 -17.060 418 HA SER 63 HA SER 63 -13.472 3.769 -17.965 419 HB2 SER 63 HB2 SER 63 -12.841 3.355 -15.509 420 HB3 SER 63 HB3 SER 63 -11.216 3.168 -16.121 421 HG SER 63 HG SER 63 -12.772 5.445 -15.960 422 H GLY 64 H GLY 64 -12.704 1.816 -19.770 423 HA2 GLY 64 HA2 GLY 64 -11.512 2.016 -21.766 424 HA3 GLY 64 HA3 GLY 64 -10.401 3.084 -20.951 425 H GLY 65 H GLY 65 -10.872 0.356 -19.114 426 HA2 GLY 65 HA2 GLY 65 -9.440 -1.688 -20.184 427 HA3 GLY 65 HA3 GLY 65 -8.235 -0.565 -19.686 428 H ARG 66 H ARG 66 -7.336 -2.018 -18.281 429 HA ARG 66 HA ARG 66 -8.974 -3.113 -16.247 430 HB2 ARG 66 HB2 ARG 66 -6.004 -3.427 -16.466 431 HB3 ARG 66 HB3 ARG 66 -7.153 -4.524 -15.728 432 HG2 ARG 66 HG2 ARG 66 -7.054 -3.941 -18.675 433 HG3 ARG 66 HG3 ARG 66 -6.229 -5.296 -17.904 434 HD2 ARG 66 HD2 ARG 66 -8.620 -5.728 -16.921 435 HD3 ARG 66 HD3 ARG 66 -9.125 -4.832 -18.350 436 HE ARG 66 HE ARG 66 -7.422 -7.235 -18.502 437 HH11 ARG 66 HH11 ARG 66 -10.242 -5.432 -19.516 438 HH12 ARG 66 HH12 ARG 66 -10.681 -6.573 -20.737 439 HH21 ARG 66 HH21 ARG 66 -8.008 -8.730 -20.106 440 HH22 ARG 66 HH22 ARG 66 -9.413 -8.440 -21.077 441 H CYS 67 H CYS 67 -7.484 -3.385 -14.053 442 HA CYS 67 HA CYS 67 -7.559 -0.737 -12.984 443 HB2 CYS 67 HB2 CYS 67 -8.409 -2.647 -11.685 444 HB3 CYS 67 HB3 CYS 67 -6.801 -3.353 -11.685 445 H ALA 68 H ALA 68 -5.785 -0.718 -14.925 446 HA ALA 68 HA ALA 68 -3.341 -1.380 -15.124 447 HB1 ALA 68 HB1 ALA 68 -4.486 1.306 -15.207 448 HB2 ALA 68 HB2 ALA 68 -3.649 0.373 -16.443 449 HB3 ALA 68 HB3 ALA 68 -2.729 1.202 -15.191 450 H ALA 69 H ALA 69 -3.698 1.330 -12.689 451 HA ALA 69 HA ALA 69 -1.870 0.016 -10.895 452 HB1 ALA 69 HB1 ALA 69 -1.182 2.610 -12.286 453 HB2 ALA 69 HB2 ALA 69 -0.346 1.063 -12.483 454 HB3 ALA 69 HB3 ALA 69 -0.296 1.893 -10.934 455 H ALA 70 H ALA 70 -2.010 0.856 -8.872 456 HA ALA 70 HA ALA 70 -3.553 1.637 -7.195 457 HB1 ALA 70 HB1 ALA 70 -1.965 2.976 -6.364 458 HB2 ALA 70 HB2 ALA 70 -2.896 4.281 -7.116 459 HB3 ALA 70 HB3 ALA 70 -1.501 3.575 -7.953 460 H GLY 71 H GLY 71 -5.373 1.392 -8.756 461 HA2 GLY 71 HA2 GLY 71 -7.362 2.222 -9.553 462 HA3 GLY 71 HA3 GLY 71 -7.042 3.633 -8.596 463 H ILE 72 H ILE 72 -6.393 2.059 -11.544 464 HA ILE 72 HA ILE 72 -6.416 4.435 -13.053 465 HB ILE 72 HB ILE 72 -3.861 2.955 -12.666 466 HG12 ILE 72 HG12 ILE 72 -4.642 5.298 -11.811 467 HG13 ILE 72 HG13 ILE 72 -2.972 4.961 -12.233 468 HG21 ILE 72 HG21 ILE 72 -3.060 4.168 -14.796 469 HG22 ILE 72 HG22 ILE 72 -4.754 4.084 -15.276 470 HG23 ILE 72 HG23 ILE 72 -3.863 2.617 -14.931 471 HD11 ILE 72 HD11 ILE 72 -4.473 5.854 -14.534 472 HD12 ILE 72 HD12 ILE 72 -2.978 6.481 -13.824 473 HD13 ILE 72 HD13 ILE 72 -4.538 7.014 -13.196 474 H CYS 73 H CYS 73 -8.019 3.685 -14.234 475 HA CYS 73 HA CYS 73 -7.936 0.967 -15.090 476 HB2 CYS 73 HB2 CYS 73 -9.992 2.054 -14.273 477 HB3 CYS 73 HB3 CYS 73 -9.997 3.066 -15.693 478 H CYS 74 H CYS 74 -6.370 0.720 -16.503 479 HA CYS 74 HA CYS 74 -6.299 2.522 -18.817 480 HB2 CYS 74 HB2 CYS 74 -4.623 3.348 -17.469 481 HB3 CYS 74 HB3 CYS 74 -4.170 1.793 -16.881 482 H SER 75 H SER 75 -5.560 1.809 -20.636 483 HA SER 75 HA SER 75 -4.749 -0.998 -20.870 484 HB2 SER 75 HB2 SER 75 -6.577 0.570 -22.717 485 HB3 SER 75 HB3 SER 75 -6.013 -1.062 -23.033 486 HG SER 75 HG SER 75 -7.786 -0.164 -21.082 487 HA PRO 76 HA PRO 76 -1.765 1.000 -23.684 488 HB2 PRO 76 HB2 PRO 76 -2.358 0.600 -26.357 489 HB3 PRO 76 HB3 PRO 76 -1.643 -0.607 -25.295 490 HG2 PRO 76 HG2 PRO 76 -4.206 -0.683 -26.510 491 HG3 PRO 76 HG3 PRO 76 -3.487 -1.857 -25.397 492 HD2 PRO 76 HD2 PRO 76 -5.415 0.317 -24.845 493 HD3 PRO 76 HD3 PRO 76 -5.132 -1.208 -23.990 494 H ASP 77 H ASP 77 -5.003 1.686 -24.700 495 HA ASP 77 HA ASP 77 -4.749 3.914 -26.301 496 HB2 ASP 77 HB2 ASP 77 -6.821 2.370 -25.359 497 HB3 ASP 77 HB3 ASP 77 -7.101 3.896 -24.530 498 H GLY 78 H GLY 78 -5.440 3.722 -22.827 499 HA2 GLY 78 HA2 GLY 78 -3.640 5.764 -22.213 500 HA3 GLY 78 HA3 GLY 78 -5.235 6.459 -22.259 501 H CYS 79 H CYS 79 -3.527 6.299 -19.964 502 HA CYS 79 HA CYS 79 -5.102 4.462 -18.333 503 HB2 CYS 79 HB2 CYS 79 -2.677 5.816 -17.271 504 HB3 CYS 79 HB3 CYS 79 -3.437 4.354 -16.712 505 H GLU 80 H GLU 80 -6.175 5.147 -16.652 506 HA GLU 80 HA GLU 80 -5.877 7.885 -15.825 507 HB2 GLU 80 HB2 GLU 80 -8.250 8.387 -16.097 508 HB3 GLU 80 HB3 GLU 80 -7.494 8.006 -17.637 509 HG2 GLU 80 HG2 GLU 80 -8.703 6.123 -17.927 510 HG3 GLU 80 HG3 GLU 80 -8.746 5.752 -16.204 511 H GLU 81 H GLU 81 -6.320 8.229 -13.709 512 HA GLU 81 HA GLU 81 -6.362 6.156 -11.947 513 HB2 GLU 81 HB2 GLU 81 -7.332 7.976 -10.342 514 HB3 GLU 81 HB3 GLU 81 -5.735 8.183 -11.023 515 HG2 GLU 81 HG2 GLU 81 -7.463 9.350 -12.846 516 HG3 GLU 81 HG3 GLU 81 -7.997 9.843 -11.259 517 H ASP 82 H ASP 82 -7.835 4.668 -11.708 518 HA ASP 82 HA ASP 82 -10.585 5.353 -12.228 519 HB2 ASP 82 HB2 ASP 82 -11.031 2.916 -12.383 520 HB3 ASP 82 HB3 ASP 82 -9.879 3.526 -13.559 521 HA PRO 83 HA PRO 83 -10.977 5.589 -7.762 522 HB2 PRO 83 HB2 PRO 83 -13.708 6.303 -8.752 523 HB3 PRO 83 HB3 PRO 83 -12.725 7.140 -7.546 524 HG2 PRO 83 HG2 PRO 83 -12.931 8.184 -9.925 525 HG3 PRO 83 HG3 PRO 83 -11.348 8.071 -9.151 526 HD2 PRO 83 HD2 PRO 83 -12.516 6.286 -11.243 527 HD3 PRO 83 HD3 PRO 83 -10.904 7.014 -11.177 528 H ALA 84 H ALA 84 -12.397 3.876 -10.213 529 HA ALA 84 HA ALA 84 -14.216 2.209 -8.893 530 HB1 ALA 84 HB1 ALA 84 -13.577 0.796 -11.017 531 HB2 ALA 84 HB2 ALA 84 -12.674 2.256 -11.446 532 HB3 ALA 84 HB3 ALA 84 -14.425 2.330 -11.226 533 H CYS 85 H CYS 85 -10.897 2.547 -9.065 534 HA CYS 85 HA CYS 85 -10.486 -0.040 -7.885 535 HB2 CYS 85 HB2 CYS 85 -9.308 0.850 -10.204 536 HB3 CYS 85 HB3 CYS 85 -8.049 0.892 -8.969 537 H ASP 86 H ASP 86 -9.467 3.412 -7.342 538 HA ASP 86 HA ASP 86 -8.924 2.801 -4.622 539 HB2 ASP 86 HB2 ASP 86 -7.202 1.383 -5.920 540 HB3 ASP 86 HB3 ASP 86 -6.363 2.917 -6.106 541 HA PRO 87 HA PRO 87 -6.398 6.731 -5.173 542 HB2 PRO 87 HB2 PRO 87 -6.280 7.806 -7.751 543 HB3 PRO 87 HB3 PRO 87 -5.093 6.767 -6.997 544 HG2 PRO 87 HG2 PRO 87 -6.633 6.089 -9.187 545 HG3 PRO 87 HG3 PRO 87 -5.787 4.972 -8.116 546 HD2 PRO 87 HD2 PRO 87 -8.655 5.800 -8.035 547 HD3 PRO 87 HD3 PRO 87 -7.964 4.187 -7.887 548 H GLU 88 H GLU 88 -8.330 7.502 -7.921 549 HA GLU 88 HA GLU 88 -9.241 9.972 -6.769 550 HB2 GLU 88 HB2 GLU 88 -8.798 9.312 -9.300 551 HB3 GLU 88 HB3 GLU 88 -10.404 8.633 -9.182 552 HG2 GLU 88 HG2 GLU 88 -11.418 10.606 -9.271 553 HG3 GLU 88 HG3 GLU 88 -10.234 11.365 -8.208 554 H ALA 89 H ALA 89 -9.698 6.954 -6.329 555 HA ALA 89 HA ALA 89 -12.357 6.225 -6.405 556 HB1 ALA 89 HB1 ALA 89 -9.807 5.154 -5.567 557 HB2 ALA 89 HB2 ALA 89 -11.059 4.430 -6.536 558 HB3 ALA 89 HB3 ALA 89 -11.189 4.418 -4.790 559 H ALA 90 H ALA 90 -12.916 4.823 -4.691 560 HA ALA 90 HA ALA 90 -13.859 6.109 -2.279 561 HB1 ALA 90 HB1 ALA 90 -14.799 3.760 -3.927 562 HB2 ALA 90 HB2 ALA 90 -15.590 5.343 -3.821 563 HB3 ALA 90 HB3 ALA 90 -15.555 4.282 -2.414 564 H PHE 91 H PHE 91 -14.455 3.554 -1.105 565 HA PHE 91 HA PHE 91 -11.807 2.703 -0.273 566 HB2 PHE 91 HB2 PHE 91 -12.970 1.180 1.254 567 HB3 PHE 91 HB3 PHE 91 -13.665 2.789 1.390 568 HD1 PHE 91 HD1 PHE 91 -15.605 2.998 -0.678 569 HD2 PHE 91 HD2 PHE 91 -14.561 -0.415 1.627 570 HE1 PHE 91 HE1 PHE 91 -17.822 2.069 -1.088 571 HE2 PHE 91 HE2 PHE 91 -16.799 -1.356 1.230 572 HZ PHE 91 HZ PHE 91 -18.433 -0.112 -0.130 573 H SER 92 H SER 92 -11.733 2.447 -2.743 574 HA SER 92 HA SER 92 -12.568 -0.209 -3.601 575 HB2 SER 92 HB2 SER 92 -13.381 1.388 -5.131 576 HB3 SER 92 HB3 SER 92 -11.900 2.351 -5.068 577 HG SER 92 HG SER 92 -10.986 0.220 -5.983 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 3.797 -17.617 -27.429 2 H2 ALA 1 H2 ALA 1 4.182 -16.166 -26.596 3 H3 ALA 1 H3 ALA 1 2.606 -16.399 -27.238 4 HA ALA 1 HA ALA 1 1.955 -17.721 -25.608 5 HB1 ALA 1 HB1 ALA 1 4.797 -18.650 -25.596 6 HB2 ALA 1 HB2 ALA 1 3.316 -19.572 -25.859 7 HB3 ALA 1 HB3 ALA 1 3.735 -19.020 -24.237 8 H VAL 2 H VAL 2 1.499 -15.578 -24.796 9 HA VAL 2 HA VAL 2 3.213 -14.024 -23.241 10 HB VAL 2 HB VAL 2 1.137 -13.091 -22.204 11 HG11 VAL 2 HG11 VAL 2 1.906 -13.103 -24.983 12 HG12 VAL 2 HG12 VAL 2 1.318 -11.773 -23.987 13 HG13 VAL 2 HG13 VAL 2 0.172 -12.828 -24.811 14 HG21 VAL 2 HG21 VAL 2 -0.974 -13.969 -23.537 15 HG22 VAL 2 HG22 VAL 2 -0.450 -14.724 -22.031 16 HG23 VAL 2 HG23 VAL 2 -0.025 -15.455 -23.578 17 H LEU 3 H LEU 3 3.110 -13.689 -20.839 18 HA LEU 3 HA LEU 3 3.582 -16.111 -19.561 19 HB2 LEU 3 HB2 LEU 3 3.696 -13.276 -18.805 20 HB3 LEU 3 HB3 LEU 3 3.373 -14.385 -17.488 21 HG LEU 3 HG LEU 3 5.580 -14.532 -17.334 22 HD11 LEU 3 HD11 LEU 3 5.583 -15.977 -19.947 23 HD12 LEU 3 HD12 LEU 3 4.768 -16.637 -18.533 24 HD13 LEU 3 HD13 LEU 3 6.511 -16.337 -18.493 25 HD21 LEU 3 HD21 LEU 3 5.426 -12.794 -19.535 26 HD22 LEU 3 HD22 LEU 3 6.624 -14.008 -19.934 27 HD23 LEU 3 HD23 LEU 3 6.802 -13.060 -18.478 28 H ASP 4 H ASP 4 2.628 -16.989 -17.769 29 HA ASP 4 HA ASP 4 -0.183 -16.600 -17.809 30 HB2 ASP 4 HB2 ASP 4 0.888 -18.901 -17.964 31 HB3 ASP 4 HB3 ASP 4 1.237 -18.720 -16.248 32 H LEU 5 H LEU 5 2.014 -17.355 -15.214 33 HA LEU 5 HA LEU 5 0.438 -15.716 -13.498 34 HB2 LEU 5 HB2 LEU 5 1.266 -16.846 -11.654 35 HB3 LEU 5 HB3 LEU 5 1.042 -18.052 -12.888 36 HG LEU 5 HG LEU 5 3.070 -18.784 -12.378 37 HD11 LEU 5 HD11 LEU 5 5.034 -17.598 -13.248 38 HD12 LEU 5 HD12 LEU 5 4.042 -16.190 -13.548 39 HD13 LEU 5 HD13 LEU 5 3.733 -17.691 -14.415 40 HD21 LEU 5 HD21 LEU 5 4.449 -16.697 -11.085 41 HD22 LEU 5 HD22 LEU 5 3.776 -18.154 -10.389 42 HD23 LEU 5 HD23 LEU 5 2.798 -16.695 -10.495 43 H ASP 6 H ASP 6 2.380 -15.290 -11.492 44 HA ASP 6 HA ASP 6 3.431 -12.831 -12.448 45 HB2 ASP 6 HB2 ASP 6 2.609 -13.957 -9.894 46 HB3 ASP 6 HB3 ASP 6 3.955 -12.832 -9.810 47 H VAL 7 H VAL 7 4.698 -15.882 -11.701 48 HA VAL 7 HA VAL 7 7.266 -14.911 -10.922 49 HB VAL 7 HB VAL 7 7.985 -17.204 -10.717 50 HG11 VAL 7 HG11 VAL 7 6.005 -18.068 -9.257 51 HG12 VAL 7 HG12 VAL 7 5.334 -16.467 -9.568 52 HG13 VAL 7 HG13 VAL 7 6.900 -16.625 -8.780 53 HG21 VAL 7 HG21 VAL 7 6.466 -19.084 -11.241 54 HG22 VAL 7 HG22 VAL 7 6.977 -18.195 -12.675 55 HG23 VAL 7 HG23 VAL 7 5.381 -17.947 -12.005 56 H ARG 8 H ARG 8 5.787 -15.166 -13.816 57 HA ARG 8 HA ARG 8 8.201 -15.625 -15.269 58 HB2 ARG 8 HB2 ARG 8 5.348 -16.165 -15.800 59 HB3 ARG 8 HB3 ARG 8 6.549 -16.197 -17.047 60 HG2 ARG 8 HG2 ARG 8 7.738 -17.959 -15.977 61 HG3 ARG 8 HG3 ARG 8 6.679 -17.804 -14.568 62 HD2 ARG 8 HD2 ARG 8 4.859 -18.729 -15.689 63 HD3 ARG 8 HD3 ARG 8 5.565 -18.425 -17.273 64 HE ARG 8 HE ARG 8 6.730 -20.412 -15.442 65 HH11 ARG 8 HH11 ARG 8 5.374 -19.570 -18.553 66 HH12 ARG 8 HH12 ARG 8 5.782 -21.087 -19.275 67 HH21 ARG 8 HH21 ARG 8 7.263 -22.403 -16.399 68 HH22 ARG 8 HH22 ARG 8 6.851 -22.694 -18.055 69 H THR 9 H THR 9 5.716 -13.693 -14.677 70 HA THR 9 HA THR 9 4.909 -12.062 -16.470 71 HB THR 9 HB THR 9 5.217 -10.205 -14.739 72 HG1 THR 9 HG1 THR 9 6.165 -10.721 -12.905 73 HG21 THR 9 HG21 THR 9 3.670 -12.659 -14.579 74 HG22 THR 9 HG22 THR 9 3.146 -10.987 -14.453 75 HG23 THR 9 HG23 THR 9 3.858 -11.789 -13.062 76 H CYS 10 H CYS 10 5.332 -9.928 -17.166 77 HA CYS 10 HA CYS 10 7.467 -9.584 -18.820 78 HB2 CYS 10 HB2 CYS 10 6.274 -7.213 -17.434 79 HB3 CYS 10 HB3 CYS 10 6.825 -7.337 -19.089 80 H LEU 11 H LEU 11 9.018 -7.628 -18.716 81 HA LEU 11 HA LEU 11 10.790 -8.056 -16.447 82 HB2 LEU 11 HB2 LEU 11 11.261 -7.786 -19.104 83 HB3 LEU 11 HB3 LEU 11 11.535 -6.139 -18.570 84 HG LEU 11 HG LEU 11 13.152 -7.098 -16.866 85 HD11 LEU 11 HD11 LEU 11 14.124 -9.327 -17.685 86 HD12 LEU 11 HD12 LEU 11 12.566 -9.545 -18.484 87 HD13 LEU 11 HD13 LEU 11 12.641 -9.361 -16.731 88 HD21 LEU 11 HD21 LEU 11 13.746 -5.983 -19.039 89 HD22 LEU 11 HD22 LEU 11 13.918 -7.599 -19.726 90 HD23 LEU 11 HD23 LEU 11 14.955 -7.091 -18.393 91 HA PRO 12 HA PRO 12 9.747 -4.497 -14.121 92 HB2 PRO 12 HB2 PRO 12 12.599 -3.774 -13.972 93 HB3 PRO 12 HB3 PRO 12 11.437 -4.091 -12.685 94 HG2 PRO 12 HG2 PRO 12 13.399 -5.819 -13.423 95 HG3 PRO 12 HG3 PRO 12 11.888 -6.291 -12.635 96 HD2 PRO 12 HD2 PRO 12 12.762 -6.693 -15.408 97 HD3 PRO 12 HD3 PRO 12 11.497 -7.535 -14.501 98 H CYS 13 H CYS 13 10.026 -2.189 -13.947 99 HA CYS 13 HA CYS 13 11.088 -0.772 -16.192 100 HB2 CYS 13 HB2 CYS 13 8.751 -1.430 -16.785 101 HB3 CYS 13 HB3 CYS 13 8.193 -0.501 -15.402 102 H GLY 14 H GLY 14 9.726 1.611 -15.528 103 HA2 GLY 14 HA2 GLY 14 10.015 3.483 -14.176 104 HA3 GLY 14 HA3 GLY 14 9.792 2.337 -12.877 105 HA PRO 15 HA PRO 15 14.034 3.858 -12.292 106 HB2 PRO 15 HB2 PRO 15 13.845 4.438 -9.720 107 HB3 PRO 15 HB3 PRO 15 12.952 5.414 -10.903 108 HG2 PRO 15 HG2 PRO 15 11.935 3.108 -9.270 109 HG3 PRO 15 HG3 PRO 15 11.268 4.751 -9.395 110 HD2 PRO 15 HD2 PRO 15 10.359 2.711 -10.920 111 HD3 PRO 15 HD3 PRO 15 10.403 4.375 -11.513 112 H GLY 16 H GLY 16 14.325 1.437 -12.837 113 HA2 GLY 16 HA2 GLY 16 16.008 -0.104 -11.946 114 HA3 GLY 16 HA3 GLY 16 15.196 0.017 -10.393 115 H GLY 17 H GLY 17 12.801 -0.586 -10.547 116 HA2 GLY 17 HA2 GLY 17 11.851 -2.341 -12.469 117 HA3 GLY 17 HA3 GLY 17 12.542 -3.295 -11.175 118 H LYS 18 H LYS 18 11.059 -0.229 -10.865 119 HA LYS 18 HA LYS 18 9.326 -0.860 -8.775 120 HB2 LYS 18 HB2 LYS 18 10.051 1.377 -10.464 121 HB3 LYS 18 HB3 LYS 18 8.382 1.406 -9.951 122 HG2 LYS 18 HG2 LYS 18 10.180 2.606 -8.599 123 HG3 LYS 18 HG3 LYS 18 8.888 1.722 -7.790 124 HD2 LYS 18 HD2 LYS 18 10.352 -0.184 -7.547 125 HD3 LYS 18 HD3 LYS 18 11.640 0.664 -8.373 126 HE2 LYS 18 HE2 LYS 18 12.304 1.217 -6.294 127 HE3 LYS 18 HE3 LYS 18 11.031 2.432 -6.410 128 HZ1 LYS 18 HZ1 LYS 18 11.233 0.370 -4.569 129 HZ2 LYS 18 HZ2 LYS 18 9.929 -0.027 -5.570 130 HZ3 LYS 18 HZ3 LYS 18 9.951 1.457 -4.760 131 H GLY 19 H GLY 19 9.121 -0.988 -12.136 132 HA2 GLY 19 HA2 GLY 19 6.439 -1.983 -12.055 133 HA3 GLY 19 HA3 GLY 19 6.770 -0.629 -13.119 134 H ARG 20 H ARG 20 6.333 -1.756 -14.878 135 HA ARG 20 HA ARG 20 8.444 -3.203 -16.083 136 HB2 ARG 20 HB2 ARG 20 7.291 -5.307 -16.401 137 HB3 ARG 20 HB3 ARG 20 7.498 -4.942 -14.691 138 HG2 ARG 20 HG2 ARG 20 5.303 -4.688 -14.325 139 HG3 ARG 20 HG3 ARG 20 5.035 -4.003 -15.929 140 HD2 ARG 20 HD2 ARG 20 4.124 -5.970 -16.452 141 HD3 ARG 20 HD3 ARG 20 5.781 -6.559 -16.476 142 HE ARG 20 HE ARG 20 5.223 -6.904 -13.929 143 HH11 ARG 20 HH11 ARG 20 3.282 -7.628 -16.730 144 HH12 ARG 20 HH12 ARG 20 2.488 -8.952 -15.966 145 HH21 ARG 20 HH21 ARG 20 4.152 -8.648 -12.941 146 HH22 ARG 20 HH22 ARG 20 2.942 -9.511 -13.825 147 H CYS 21 H CYS 21 7.440 -4.232 -18.259 148 HA CYS 21 HA CYS 21 5.894 -2.061 -19.495 149 HB2 CYS 21 HB2 CYS 21 8.053 -3.832 -20.352 150 HB3 CYS 21 HB3 CYS 21 6.759 -3.690 -21.523 151 H PHE 22 H PHE 22 3.791 -2.491 -20.265 152 HA PHE 22 HA PHE 22 2.895 -5.247 -19.912 153 HB2 PHE 22 HB2 PHE 22 1.512 -2.583 -19.901 154 HB3 PHE 22 HB3 PHE 22 0.608 -4.076 -20.053 155 HD1 PHE 22 HD1 PHE 22 3.651 -3.429 -18.023 156 HD2 PHE 22 HD2 PHE 22 -0.541 -4.174 -18.030 157 HE1 PHE 22 HE1 PHE 22 3.678 -3.686 -15.586 158 HE2 PHE 22 HE2 PHE 22 -0.495 -4.441 -15.585 159 HZ PHE 22 HZ PHE 22 1.626 -4.204 -14.366 160 H GLY 23 H GLY 23 3.928 -3.371 -22.442 161 HA2 GLY 23 HA2 GLY 23 3.449 -5.078 -24.450 162 HA3 GLY 23 HA3 GLY 23 1.877 -4.331 -24.305 163 HA PRO 24 HA PRO 24 3.506 -1.357 -27.124 164 HB2 PRO 24 HB2 PRO 24 1.440 0.285 -27.307 165 HB3 PRO 24 HB3 PRO 24 1.250 -1.433 -27.680 166 HG2 PRO 24 HG2 PRO 24 0.375 0.083 -25.281 167 HG3 PRO 24 HG3 PRO 24 -0.367 -1.307 -26.080 168 HD2 PRO 24 HD2 PRO 24 1.328 -1.325 -23.788 169 HD3 PRO 24 HD3 PRO 24 0.681 -2.730 -24.662 170 H SER 25 H SER 25 5.312 -0.450 -25.956 171 HA SER 25 HA SER 25 6.501 1.262 -24.987 172 HB2 SER 25 HB2 SER 25 5.054 2.399 -26.930 173 HB3 SER 25 HB3 SER 25 4.295 3.200 -25.548 174 HG SER 25 HG SER 25 6.550 3.702 -24.912 175 H ILE 26 H ILE 26 4.107 -0.114 -23.553 176 HA ILE 26 HA ILE 26 3.517 1.966 -21.619 177 HB ILE 26 HB ILE 26 1.818 0.302 -22.777 178 HG12 ILE 26 HG12 ILE 26 1.419 0.885 -19.873 179 HG13 ILE 26 HG13 ILE 26 1.550 2.203 -21.052 180 HG21 ILE 26 HG21 ILE 26 1.156 -1.438 -21.133 181 HG22 ILE 26 HG22 ILE 26 2.675 -1.137 -20.286 182 HG23 ILE 26 HG23 ILE 26 2.690 -1.762 -21.943 183 HD11 ILE 26 HD11 ILE 26 -0.715 0.610 -20.433 184 HD12 ILE 26 HD12 ILE 26 -0.234 0.260 -22.097 185 HD13 ILE 26 HD13 ILE 26 -0.583 1.912 -21.610 186 H CYS 27 H CYS 27 3.404 1.487 -19.413 187 HA CYS 27 HA CYS 27 5.009 -0.617 -18.355 188 HB2 CYS 27 HB2 CYS 27 5.908 2.117 -18.747 189 HB3 CYS 27 HB3 CYS 27 6.100 1.554 -17.110 190 H CYS 28 H CYS 28 4.577 -0.971 -16.187 191 HA CYS 28 HA CYS 28 2.766 0.822 -14.800 192 HB2 CYS 28 HB2 CYS 28 1.667 -1.238 -16.111 193 HB3 CYS 28 HB3 CYS 28 2.152 -2.074 -14.643 194 H GLY 29 H GLY 29 3.719 1.223 -12.899 195 HA2 GLY 29 HA2 GLY 29 5.398 -0.839 -11.774 196 HA3 GLY 29 HA3 GLY 29 5.523 0.842 -11.434 197 H ASP 30 H ASP 30 5.393 -0.921 -9.301 198 HA ASP 30 HA ASP 30 2.713 -1.297 -8.456 199 HB2 ASP 30 HB2 ASP 30 5.175 -2.264 -7.625 200 HB3 ASP 30 HB3 ASP 30 4.688 -1.216 -6.298 201 H GLU 31 H GLU 31 5.138 0.500 -6.623 202 HA GLU 31 HA GLU 31 3.255 2.435 -5.716 203 HB2 GLU 31 HB2 GLU 31 5.184 3.431 -4.600 204 HB3 GLU 31 HB3 GLU 31 5.217 1.687 -4.376 205 HG2 GLU 31 HG2 GLU 31 7.256 1.605 -5.231 206 HG3 GLU 31 HG3 GLU 31 6.659 2.274 -6.755 207 H LEU 32 H LEU 32 4.480 1.901 -8.579 208 HA LEU 32 HA LEU 32 5.371 4.511 -9.358 209 HB2 LEU 32 HB2 LEU 32 5.956 1.864 -9.790 210 HB3 LEU 32 HB3 LEU 32 5.267 2.401 -11.270 211 HG LEU 32 HG LEU 32 7.806 3.090 -10.018 212 HD11 LEU 32 HD11 LEU 32 7.343 2.909 -12.911 213 HD12 LEU 32 HD12 LEU 32 7.072 1.442 -11.957 214 HD13 LEU 32 HD13 LEU 32 8.644 2.249 -11.918 215 HD21 LEU 32 HD21 LEU 32 6.745 4.820 -12.183 216 HD22 LEU 32 HD22 LEU 32 8.125 5.097 -11.138 217 HD23 LEU 32 HD23 LEU 32 6.489 5.256 -10.498 218 H GLY 33 H GLY 33 2.604 2.520 -9.674 219 HA2 GLY 33 HA2 GLY 33 0.518 3.094 -10.551 220 HA3 GLY 33 HA3 GLY 33 1.253 4.534 -11.193 221 H CYS 34 H CYS 34 0.096 4.163 -13.164 222 HA CYS 34 HA CYS 34 1.390 2.109 -14.806 223 HB2 CYS 34 HB2 CYS 34 -1.255 2.085 -14.033 224 HB3 CYS 34 HB3 CYS 34 -1.314 2.762 -15.657 225 H PHE 35 H PHE 35 2.640 3.158 -16.209 226 HA PHE 35 HA PHE 35 1.676 5.675 -17.411 227 HB2 PHE 35 HB2 PHE 35 4.446 4.654 -17.860 228 HB3 PHE 35 HB3 PHE 35 3.871 6.309 -17.798 229 HD1 PHE 35 HD1 PHE 35 4.310 3.342 -15.588 230 HD2 PHE 35 HD2 PHE 35 4.420 7.575 -15.983 231 HE1 PHE 35 HE1 PHE 35 5.156 3.532 -13.292 232 HE2 PHE 35 HE2 PHE 35 5.279 7.768 -13.691 233 HZ PHE 35 HZ PHE 35 5.635 5.752 -12.350 234 H VAL 36 H VAL 36 2.157 6.038 -19.683 235 HA VAL 36 HA VAL 36 2.532 3.662 -21.319 236 HB VAL 36 HB VAL 36 0.346 5.571 -22.082 237 HG11 VAL 36 HG11 VAL 36 1.656 3.785 -23.574 238 HG12 VAL 36 HG12 VAL 36 -0.059 4.139 -23.806 239 HG13 VAL 36 HG13 VAL 36 0.429 2.716 -22.892 240 HG21 VAL 36 HG21 VAL 36 -0.263 2.936 -20.837 241 HG22 VAL 36 HG22 VAL 36 -1.298 4.336 -21.019 242 HG23 VAL 36 HG23 VAL 36 -0.010 4.335 -19.818 243 H GLY 37 H GLY 37 4.191 4.106 -22.500 244 HA2 GLY 37 HA2 GLY 37 5.631 5.207 -23.922 245 HA3 GLY 37 HA3 GLY 37 4.276 6.237 -24.351 246 H THR 38 H THR 38 4.640 6.456 -21.061 247 HA THR 38 HA THR 38 5.695 9.106 -21.205 248 HB THR 38 HB THR 38 5.212 7.422 -18.741 249 HG1 THR 38 HG1 THR 38 3.325 9.206 -19.827 250 HG21 THR 38 HG21 THR 38 5.103 9.327 -17.487 251 HG22 THR 38 HG22 THR 38 4.731 10.354 -18.871 252 HG23 THR 38 HG23 THR 38 6.364 9.757 -18.628 253 H ALA 39 H ALA 39 7.428 9.668 -19.410 254 HA ALA 39 HA ALA 39 9.887 8.629 -20.208 255 HB1 ALA 39 HB1 ALA 39 8.919 10.496 -18.174 256 HB2 ALA 39 HB2 ALA 39 10.338 10.590 -19.217 257 HB3 ALA 39 HB3 ALA 39 10.403 9.656 -17.722 258 H GLU 40 H GLU 40 8.078 8.060 -17.206 259 HA GLU 40 HA GLU 40 9.817 6.079 -16.191 260 HB2 GLU 40 HB2 GLU 40 7.263 7.280 -15.468 261 HB3 GLU 40 HB3 GLU 40 7.365 5.582 -15.046 262 HG2 GLU 40 HG2 GLU 40 8.128 6.692 -13.152 263 HG3 GLU 40 HG3 GLU 40 9.598 6.153 -13.962 264 H ALA 41 H ALA 41 8.311 5.819 -18.986 265 HA ALA 41 HA ALA 41 7.676 2.970 -18.653 266 HB1 ALA 41 HB1 ALA 41 5.723 4.577 -18.877 267 HB2 ALA 41 HB2 ALA 41 5.759 3.185 -19.957 268 HB3 ALA 41 HB3 ALA 41 6.255 4.768 -20.541 269 H LEU 42 H LEU 42 9.699 5.065 -20.122 270 HA LEU 42 HA LEU 42 9.756 4.255 -22.796 271 HB2 LEU 42 HB2 LEU 42 12.117 5.138 -22.699 272 HB3 LEU 42 HB3 LEU 42 10.846 6.262 -22.272 273 HG LEU 42 HG LEU 42 11.715 6.632 -20.247 274 HD11 LEU 42 HD11 LEU 42 12.554 3.808 -19.726 275 HD12 LEU 42 HD12 LEU 42 10.864 4.287 -19.588 276 HD13 LEU 42 HD13 LEU 42 12.077 5.062 -18.585 277 HD21 LEU 42 HD21 LEU 42 13.751 6.105 -21.928 278 HD22 LEU 42 HD22 LEU 42 14.117 4.992 -20.609 279 HD23 LEU 42 HD23 LEU 42 13.949 6.718 -20.286 280 H ARG 43 H ARG 43 10.565 2.622 -19.968 281 HA ARG 43 HA ARG 43 12.796 1.148 -20.480 282 HB2 ARG 43 HB2 ARG 43 10.645 1.082 -18.692 283 HB3 ARG 43 HB3 ARG 43 10.838 -0.538 -19.327 284 HG2 ARG 43 HG2 ARG 43 12.102 -0.044 -17.219 285 HG3 ARG 43 HG3 ARG 43 13.071 -0.677 -18.547 286 HD2 ARG 43 HD2 ARG 43 13.977 1.450 -19.017 287 HD3 ARG 43 HD3 ARG 43 12.787 2.268 -18.007 288 HE ARG 43 HE ARG 43 13.950 0.997 -16.115 289 HH11 ARG 43 HH11 ARG 43 15.581 2.133 -18.991 290 HH12 ARG 43 HH12 ARG 43 17.115 2.287 -18.208 291 HH21 ARG 43 HH21 ARG 43 15.975 1.207 -15.089 292 HH22 ARG 43 HH22 ARG 43 17.340 1.764 -15.998 293 H CYS 44 H CYS 44 9.880 0.983 -22.234 294 HA CYS 44 HA CYS 44 10.046 -1.721 -22.980 295 HB2 CYS 44 HB2 CYS 44 8.427 0.562 -23.703 296 HB3 CYS 44 HB3 CYS 44 8.649 -0.583 -25.017 297 H GLN 45 H GLN 45 11.944 0.906 -23.775 298 HA GLN 45 HA GLN 45 12.660 0.305 -26.420 299 HB2 GLN 45 HB2 GLN 45 13.597 2.009 -24.255 300 HB3 GLN 45 HB3 GLN 45 14.926 1.359 -25.200 301 HG2 GLN 45 HG2 GLN 45 14.225 2.415 -27.146 302 HG3 GLN 45 HG3 GLN 45 12.588 2.658 -26.537 303 HE21 GLN 45 HE21 GLN 45 13.021 3.785 -24.106 304 HE22 GLN 45 HE22 GLN 45 13.804 5.313 -24.285 305 H GLU 46 H GLU 46 13.124 -1.087 -23.448 306 HA GLU 46 HA GLU 46 15.510 -2.610 -23.909 307 HB2 GLU 46 HB2 GLU 46 13.381 -2.454 -21.812 308 HB3 GLU 46 HB3 GLU 46 14.505 -3.784 -21.807 309 HG2 GLU 46 HG2 GLU 46 16.365 -2.155 -21.723 310 HG3 GLU 46 HG3 GLU 46 15.163 -0.867 -21.607 311 H GLU 47 H GLU 47 12.186 -2.818 -24.668 312 HA GLU 47 HA GLU 47 11.995 -5.676 -24.810 313 HB2 GLU 47 HB2 GLU 47 10.034 -4.228 -24.406 314 HB3 GLU 47 HB3 GLU 47 10.215 -3.551 -26.018 315 HG2 GLU 47 HG2 GLU 47 8.720 -5.100 -26.599 316 HG3 GLU 47 HG3 GLU 47 10.097 -6.198 -26.581 317 H ASN 48 H ASN 48 13.624 -3.496 -26.727 318 HA ASN 48 HA ASN 48 13.038 -4.816 -29.213 319 HB2 ASN 48 HB2 ASN 48 14.436 -3.154 -30.270 320 HB3 ASN 48 HB3 ASN 48 13.321 -2.362 -29.164 321 HD21 ASN 48 HD21 ASN 48 15.035 -0.679 -29.575 322 HD22 ASN 48 HD22 ASN 48 16.356 -0.633 -28.461 323 H TYR 49 H TYR 49 14.776 -5.766 -26.701 324 HA TYR 49 HA TYR 49 17.081 -6.686 -28.293 325 HB2 TYR 49 HB2 TYR 49 16.695 -6.396 -25.311 326 HB3 TYR 49 HB3 TYR 49 18.077 -7.219 -26.037 327 HD1 TYR 49 HD1 TYR 49 18.869 -5.599 -28.243 328 HD2 TYR 49 HD2 TYR 49 17.389 -4.369 -24.450 329 HE1 TYR 49 HE1 TYR 49 20.033 -3.450 -28.493 330 HE2 TYR 49 HE2 TYR 49 18.548 -2.215 -24.689 331 HH TYR 49 HH TYR 49 19.847 -1.145 -27.622 332 H LEU 50 H LEU 50 15.316 -8.045 -25.478 333 HA LEU 50 HA LEU 50 15.203 -10.597 -26.956 334 HB2 LEU 50 HB2 LEU 50 15.522 -10.374 -23.972 335 HB3 LEU 50 HB3 LEU 50 15.683 -11.809 -24.965 336 HG LEU 50 HG LEU 50 17.677 -10.560 -26.053 337 HD11 LEU 50 HD11 LEU 50 18.048 -8.517 -25.303 338 HD12 LEU 50 HD12 LEU 50 18.550 -9.225 -23.776 339 HD13 LEU 50 HD13 LEU 50 16.881 -8.696 -23.999 340 HD21 LEU 50 HD21 LEU 50 18.776 -12.129 -24.939 341 HD22 LEU 50 HD22 LEU 50 17.426 -12.285 -23.815 342 HD23 LEU 50 HD23 LEU 50 18.726 -11.141 -23.479 343 HA PRO 51 HA PRO 51 10.786 -9.433 -26.168 344 HB2 PRO 51 HB2 PRO 51 10.717 -11.803 -28.004 345 HB3 PRO 51 HB3 PRO 51 9.693 -10.358 -27.999 346 HG2 PRO 51 HG2 PRO 51 11.624 -10.480 -29.756 347 HG3 PRO 51 HG3 PRO 51 11.426 -8.992 -28.802 348 HD2 PRO 51 HD2 PRO 51 13.415 -11.213 -28.432 349 HD3 PRO 51 HD3 PRO 51 13.672 -9.454 -28.370 350 H SER 52 H SER 52 8.954 -10.820 -25.390 351 HA SER 52 HA SER 52 9.265 -13.463 -24.533 352 HB2 SER 52 HB2 SER 52 10.457 -11.461 -22.769 353 HB3 SER 52 HB3 SER 52 9.261 -12.467 -21.950 354 HG SER 52 HG SER 52 11.758 -13.089 -22.643 355 HA PRO 53 HA PRO 53 4.966 -13.080 -23.610 356 HB2 PRO 53 HB2 PRO 53 4.651 -14.488 -21.292 357 HB3 PRO 53 HB3 PRO 53 4.874 -15.234 -22.866 358 HG2 PRO 53 HG2 PRO 53 6.848 -14.783 -20.690 359 HG3 PRO 53 HG3 PRO 53 6.650 -16.187 -21.734 360 HD2 PRO 53 HD2 PRO 53 8.569 -14.326 -22.103 361 HD3 PRO 53 HD3 PRO 53 7.827 -15.217 -23.447 362 H CYS 54 H CYS 54 3.342 -12.142 -22.056 363 HA CYS 54 HA CYS 54 4.576 -10.539 -19.983 364 HB2 CYS 54 HB2 CYS 54 3.894 -9.524 -22.468 365 HB3 CYS 54 HB3 CYS 54 2.604 -8.981 -21.402 366 H GLN 55 H GLN 55 2.846 -12.740 -19.432 367 HA GLN 55 HA GLN 55 1.033 -13.274 -18.221 368 HB2 GLN 55 HB2 GLN 55 0.827 -12.088 -16.261 369 HB3 GLN 55 HB3 GLN 55 2.414 -11.579 -16.827 370 HG2 GLN 55 HG2 GLN 55 1.781 -9.471 -17.091 371 HG3 GLN 55 HG3 GLN 55 0.228 -9.892 -17.782 372 HE21 GLN 55 HE21 GLN 55 -0.932 -11.347 -15.796 373 HE22 GLN 55 HE22 GLN 55 -1.184 -10.357 -14.407 374 H SER 56 H SER 56 -1.067 -11.548 -17.255 375 HA SER 56 HA SER 56 -2.348 -10.657 -19.674 376 HB2 SER 56 HB2 SER 56 -2.949 -13.127 -18.715 377 HB3 SER 56 HB3 SER 56 -4.139 -12.140 -17.867 378 HG SER 56 HG SER 56 -4.134 -12.932 -20.422 379 H GLY 57 H GLY 57 -4.826 -10.021 -18.705 380 HA2 GLY 57 HA2 GLY 57 -4.144 -7.817 -16.899 381 HA3 GLY 57 HA3 GLY 57 -5.589 -7.931 -17.895 382 H GLN 58 H GLN 58 -5.181 -7.367 -15.007 383 HA GLN 58 HA GLN 58 -6.598 -9.617 -13.801 384 HB2 GLN 58 HB2 GLN 58 -4.625 -7.728 -12.861 385 HB3 GLN 58 HB3 GLN 58 -6.013 -7.830 -11.789 386 HG2 GLN 58 HG2 GLN 58 -5.094 -10.426 -12.705 387 HG3 GLN 58 HG3 GLN 58 -3.871 -9.532 -11.813 388 HE21 GLN 58 HE21 GLN 58 -4.067 -9.297 -9.646 389 HE22 GLN 58 HE22 GLN 58 -5.350 -9.974 -8.710 390 H LYS 59 H LYS 59 -8.100 -8.971 -12.046 391 HA LYS 59 HA LYS 59 -10.498 -8.466 -12.490 392 HB2 LYS 59 HB2 LYS 59 -10.846 -6.824 -10.597 393 HB3 LYS 59 HB3 LYS 59 -9.910 -8.255 -10.192 394 HG2 LYS 59 HG2 LYS 59 -7.914 -6.591 -10.876 395 HG3 LYS 59 HG3 LYS 59 -9.098 -5.421 -10.292 396 HD2 LYS 59 HD2 LYS 59 -9.149 -7.471 -8.410 397 HD3 LYS 59 HD3 LYS 59 -7.442 -7.279 -8.808 398 HE2 LYS 59 HE2 LYS 59 -8.181 -5.862 -6.911 399 HE3 LYS 59 HE3 LYS 59 -7.523 -4.939 -8.262 400 HZ1 LYS 59 HZ1 LYS 59 -10.427 -5.400 -8.017 401 HZ2 LYS 59 HZ2 LYS 59 -9.615 -4.189 -8.867 402 HZ3 LYS 59 HZ3 LYS 59 -9.678 -4.136 -7.179 403 HA PRO 60 HA PRO 60 -10.115 -5.225 -15.633 404 HB2 PRO 60 HB2 PRO 60 -12.689 -6.342 -16.454 405 HB3 PRO 60 HB3 PRO 60 -11.221 -6.089 -17.388 406 HG2 PRO 60 HG2 PRO 60 -12.101 -8.519 -16.503 407 HG3 PRO 60 HG3 PRO 60 -10.423 -8.145 -16.911 408 HD2 PRO 60 HD2 PRO 60 -11.642 -8.583 -14.287 409 HD3 PRO 60 HD3 PRO 60 -9.944 -8.618 -14.777 410 H CYS 61 H CYS 61 -11.464 -3.630 -16.458 411 HA CYS 61 HA CYS 61 -13.919 -2.932 -15.187 412 HB2 CYS 61 HB2 CYS 61 -13.019 -0.588 -14.576 413 HB3 CYS 61 HB3 CYS 61 -12.760 -1.932 -13.477 414 H GLY 62 H GLY 62 -14.918 -0.982 -15.952 415 HA2 GLY 62 HA2 GLY 62 -14.616 -0.769 -18.768 416 HA3 GLY 62 HA3 GLY 62 -15.916 -0.151 -17.781 417 H SER 63 H SER 63 -12.665 0.637 -16.916 418 HA SER 63 HA SER 63 -13.096 3.310 -17.898 419 HB2 SER 63 HB2 SER 63 -12.704 2.889 -15.391 420 HB3 SER 63 HB3 SER 63 -11.051 2.563 -15.855 421 HG SER 63 HG SER 63 -12.450 4.961 -16.351 422 H GLY 64 H GLY 64 -12.320 1.272 -19.618 423 HA2 GLY 64 HA2 GLY 64 -10.949 1.390 -21.506 424 HA3 GLY 64 HA3 GLY 64 -9.823 2.343 -20.579 425 H GLY 65 H GLY 65 -10.680 -0.352 -18.831 426 HA2 GLY 65 HA2 GLY 65 -9.380 -2.518 -19.801 427 HA3 GLY 65 HA3 GLY 65 -8.097 -1.499 -19.262 428 H ARG 66 H ARG 66 -7.379 -2.953 -17.794 429 HA ARG 66 HA ARG 66 -9.163 -3.881 -15.786 430 HB2 ARG 66 HB2 ARG 66 -6.223 -4.440 -15.930 431 HB3 ARG 66 HB3 ARG 66 -7.466 -5.410 -15.166 432 HG2 ARG 66 HG2 ARG 66 -7.250 -4.964 -18.132 433 HG3 ARG 66 HG3 ARG 66 -6.601 -6.364 -17.278 434 HD2 ARG 66 HD2 ARG 66 -9.050 -6.534 -16.363 435 HD3 ARG 66 HD3 ARG 66 -9.426 -5.602 -17.810 436 HE ARG 66 HE ARG 66 -7.995 -8.176 -17.921 437 HH11 ARG 66 HH11 ARG 66 -10.549 -6.055 -19.024 438 HH12 ARG 66 HH12 ARG 66 -11.069 -7.134 -20.270 439 HH21 ARG 66 HH21 ARG 66 -8.684 -9.584 -19.567 440 HH22 ARG 66 HH22 ARG 66 -10.012 -9.130 -20.582 441 H CYS 67 H CYS 67 -7.699 -4.166 -13.532 442 HA CYS 67 HA CYS 67 -7.654 -1.469 -12.597 443 HB2 CYS 67 HB2 CYS 67 -8.607 -3.257 -11.211 444 HB3 CYS 67 HB3 CYS 67 -7.040 -4.043 -11.158 445 H ALA 68 H ALA 68 -5.866 -1.612 -14.500 446 HA ALA 68 HA ALA 68 -3.439 -2.379 -14.626 447 HB1 ALA 68 HB1 ALA 68 -3.298 0.503 -14.491 448 HB2 ALA 68 HB2 ALA 68 -4.645 -0.110 -15.445 449 HB3 ALA 68 HB3 ALA 68 -2.991 -0.593 -15.832 450 H ALA 69 H ALA 69 -3.809 0.435 -12.279 451 HA ALA 69 HA ALA 69 -1.997 -0.793 -10.440 452 HB1 ALA 69 HB1 ALA 69 -0.308 0.965 -10.627 453 HB2 ALA 69 HB2 ALA 69 -1.163 1.644 -12.020 454 HB3 ALA 69 HB3 ALA 69 -0.436 0.037 -12.116 455 H ALA 70 H ALA 70 -2.031 0.239 -8.487 456 HA ALA 70 HA ALA 70 -3.537 1.218 -6.856 457 HB1 ALA 70 HB1 ALA 70 -1.426 3.001 -7.793 458 HB2 ALA 70 HB2 ALA 70 -1.918 2.582 -6.150 459 HB3 ALA 70 HB3 ALA 70 -2.797 3.838 -7.042 460 H GLY 71 H GLY 71 -5.357 0.895 -8.437 461 HA2 GLY 71 HA2 GLY 71 -7.316 1.729 -9.314 462 HA3 GLY 71 HA3 GLY 71 -6.956 3.194 -8.452 463 H ILE 72 H ILE 72 -6.283 1.391 -11.272 464 HA ILE 72 HA ILE 72 -6.213 3.673 -12.936 465 HB ILE 72 HB ILE 72 -3.722 2.082 -12.480 466 HG12 ILE 72 HG12 ILE 72 -4.363 4.497 -11.700 467 HG13 ILE 72 HG13 ILE 72 -2.720 4.057 -12.144 468 HG21 ILE 72 HG21 ILE 72 -2.888 3.163 -14.661 469 HG22 ILE 72 HG22 ILE 72 -4.587 3.184 -15.120 470 HG23 ILE 72 HG23 ILE 72 -3.794 1.666 -14.749 471 HD11 ILE 72 HD11 ILE 72 -4.148 4.917 -14.474 472 HD12 ILE 72 HD12 ILE 72 -2.683 5.574 -13.732 473 HD13 ILE 72 HD13 ILE 72 -4.268 6.128 -13.188 474 H CYS 73 H CYS 73 -7.789 2.951 -14.145 475 HA CYS 73 HA CYS 73 -7.878 0.184 -14.808 476 HB2 CYS 73 HB2 CYS 73 -9.877 1.453 -14.130 477 HB3 CYS 73 HB3 CYS 73 -9.764 2.389 -15.597 478 H CYS 74 H CYS 74 -6.267 -0.229 -16.166 479 HA CYS 74 HA CYS 74 -6.080 1.410 -18.591 480 HB2 CYS 74 HB2 CYS 74 -4.391 2.267 -17.288 481 HB3 CYS 74 HB3 CYS 74 -4.009 0.745 -16.569 482 H SER 75 H SER 75 -5.383 0.541 -20.337 483 HA SER 75 HA SER 75 -4.718 -2.311 -20.392 484 HB2 SER 75 HB2 SER 75 -6.315 -0.726 -22.422 485 HB3 SER 75 HB3 SER 75 -5.897 -2.426 -22.584 486 HG SER 75 HG SER 75 -7.023 -2.652 -20.476 487 HA PRO 76 HA PRO 76 -1.465 -0.722 -23.170 488 HB2 PRO 76 HB2 PRO 76 -1.945 -1.289 -25.824 489 HB3 PRO 76 HB3 PRO 76 -1.395 -2.482 -24.645 490 HG2 PRO 76 HG2 PRO 76 -3.911 -2.355 -26.005 491 HG3 PRO 76 HG3 PRO 76 -3.361 -3.559 -24.833 492 HD2 PRO 76 HD2 PRO 76 -5.121 -1.225 -24.438 493 HD3 PRO 76 HD3 PRO 76 -4.963 -2.711 -23.484 494 H ASP 77 H ASP 77 -4.582 0.086 -24.411 495 HA ASP 77 HA ASP 77 -4.100 2.186 -26.150 496 HB2 ASP 77 HB2 ASP 77 -6.319 0.808 -25.172 497 HB3 ASP 77 HB3 ASP 77 -6.585 2.471 -24.659 498 H GLY 78 H GLY 78 -4.923 2.216 -22.694 499 HA2 GLY 78 HA2 GLY 78 -3.148 4.299 -22.172 500 HA3 GLY 78 HA3 GLY 78 -4.746 4.979 -22.297 501 H CYS 79 H CYS 79 -3.174 5.063 -19.938 502 HA CYS 79 HA CYS 79 -4.786 3.321 -18.243 503 HB2 CYS 79 HB2 CYS 79 -2.323 4.651 -17.238 504 HB3 CYS 79 HB3 CYS 79 -3.159 3.281 -16.570 505 H GLU 80 H GLU 80 -5.830 4.158 -16.593 506 HA GLU 80 HA GLU 80 -5.436 6.926 -15.946 507 HB2 GLU 80 HB2 GLU 80 -7.643 7.660 -16.413 508 HB3 GLU 80 HB3 GLU 80 -7.056 6.851 -17.858 509 HG2 GLU 80 HG2 GLU 80 -9.163 5.994 -17.711 510 HG3 GLU 80 HG3 GLU 80 -8.255 4.772 -16.822 511 H GLU 81 H GLU 81 -5.935 7.443 -13.876 512 HA GLU 81 HA GLU 81 -6.087 5.489 -11.976 513 HB2 GLU 81 HB2 GLU 81 -6.952 7.335 -10.448 514 HB3 GLU 81 HB3 GLU 81 -5.443 7.661 -11.265 515 HG2 GLU 81 HG2 GLU 81 -6.900 8.810 -13.036 516 HG3 GLU 81 HG3 GLU 81 -8.101 8.796 -11.764 517 H ASP 82 H ASP 82 -7.640 4.071 -11.601 518 HA ASP 82 HA ASP 82 -10.332 4.813 -12.305 519 HB2 ASP 82 HB2 ASP 82 -10.875 2.391 -12.304 520 HB3 ASP 82 HB3 ASP 82 -9.673 2.877 -13.487 521 HA PRO 83 HA PRO 83 -10.927 5.406 -7.906 522 HB2 PRO 83 HB2 PRO 83 -13.606 6.009 -9.099 523 HB3 PRO 83 HB3 PRO 83 -12.702 6.942 -7.901 524 HG2 PRO 83 HG2 PRO 83 -12.765 7.803 -10.363 525 HG3 PRO 83 HG3 PRO 83 -11.224 7.763 -9.496 526 HD2 PRO 83 HD2 PRO 83 -12.277 5.817 -11.511 527 HD3 PRO 83 HD3 PRO 83 -10.664 6.535 -11.398 528 H ALA 84 H ALA 84 -12.315 3.518 -10.254 529 HA ALA 84 HA ALA 84 -14.160 1.953 -8.866 530 HB1 ALA 84 HB1 ALA 84 -13.479 0.400 -10.875 531 HB2 ALA 84 HB2 ALA 84 -12.567 1.829 -11.374 532 HB3 ALA 84 HB3 ALA 84 -14.322 1.919 -11.203 533 H CYS 85 H CYS 85 -10.839 2.231 -8.941 534 HA CYS 85 HA CYS 85 -10.531 -0.282 -7.584 535 HB2 CYS 85 HB2 CYS 85 -9.286 0.386 -9.957 536 HB3 CYS 85 HB3 CYS 85 -8.046 0.418 -8.704 537 H ASP 86 H ASP 86 -9.422 3.163 -7.271 538 HA ASP 86 HA ASP 86 -8.867 2.685 -4.521 539 HB2 ASP 86 HB2 ASP 86 -7.173 1.188 -5.749 540 HB3 ASP 86 HB3 ASP 86 -6.321 2.696 -6.047 541 HA PRO 87 HA PRO 87 -6.342 6.576 -5.274 542 HB2 PRO 87 HB2 PRO 87 -6.080 7.428 -7.918 543 HB3 PRO 87 HB3 PRO 87 -4.961 6.425 -7.027 544 HG2 PRO 87 HG2 PRO 87 -6.421 5.608 -9.223 545 HG3 PRO 87 HG3 PRO 87 -5.661 4.561 -8.023 546 HD2 PRO 87 HD2 PRO 87 -8.501 5.490 -8.132 547 HD3 PRO 87 HD3 PRO 87 -7.881 3.863 -7.845 548 H GLU 88 H GLU 88 -8.123 7.198 -8.161 549 HA GLU 88 HA GLU 88 -9.022 9.757 -7.227 550 HB2 GLU 88 HB2 GLU 88 -8.458 8.972 -9.669 551 HB3 GLU 88 HB3 GLU 88 -10.055 8.258 -9.602 552 HG2 GLU 88 HG2 GLU 88 -11.083 10.196 -9.942 553 HG3 GLU 88 HG3 GLU 88 -10.055 11.038 -8.782 554 H ALA 89 H ALA 89 -9.603 6.855 -6.498 555 HA ALA 89 HA ALA 89 -12.213 6.134 -6.788 556 HB1 ALA 89 HB1 ALA 89 -11.569 4.435 -5.039 557 HB2 ALA 89 HB2 ALA 89 -9.989 5.201 -5.087 558 HB3 ALA 89 HB3 ALA 89 -10.658 4.478 -6.543 559 H ALA 90 H ALA 90 -13.231 5.118 -5.198 560 HA ALA 90 HA ALA 90 -14.487 6.777 -3.197 561 HB1 ALA 90 HB1 ALA 90 -16.258 4.997 -3.471 562 HB2 ALA 90 HB2 ALA 90 -15.245 4.304 -4.748 563 HB3 ALA 90 HB3 ALA 90 -15.942 5.921 -4.943 564 H PHE 91 H PHE 91 -15.575 4.394 -1.877 565 HA PHE 91 HA PHE 91 -13.228 3.572 -0.398 566 HB2 PHE 91 HB2 PHE 91 -16.018 3.609 0.105 567 HB3 PHE 91 HB3 PHE 91 -15.551 1.912 0.106 568 HD1 PHE 91 HD1 PHE 91 -13.317 1.423 1.467 569 HD2 PHE 91 HD2 PHE 91 -15.899 4.749 2.090 570 HE1 PHE 91 HE1 PHE 91 -12.451 1.661 3.758 571 HE2 PHE 91 HE2 PHE 91 -15.037 4.993 4.382 572 HZ PHE 91 HZ PHE 91 -13.311 3.448 5.219 573 H SER 92 H SER 92 -12.658 3.071 -2.851 574 HA SER 92 HA SER 92 -13.335 0.336 -3.588 575 HB2 SER 92 HB2 SER 92 -13.649 1.753 -5.439 576 HB3 SER 92 HB3 SER 92 -12.204 2.711 -5.093 577 HG SER 92 HG SER 92 -11.640 1.408 -6.701 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 9.571 -11.562 -22.561 2 H2 ALA 1 H2 ALA 1 10.964 -11.268 -21.618 3 H3 ALA 1 H3 ALA 1 9.494 -11.718 -20.860 4 HA ALA 1 HA ALA 1 10.030 -13.659 -22.719 5 HB1 ALA 1 HB1 ALA 1 12.291 -13.060 -22.947 6 HB2 ALA 1 HB2 ALA 1 12.279 -14.417 -21.823 7 HB3 ALA 1 HB3 ALA 1 12.473 -12.774 -21.217 8 H VAL 2 H VAL 2 10.213 -12.501 -19.415 9 HA VAL 2 HA VAL 2 10.045 -15.050 -18.177 10 HB VAL 2 HB VAL 2 9.233 -13.641 -16.172 11 HG11 VAL 2 HG11 VAL 2 11.487 -13.025 -15.638 12 HG12 VAL 2 HG12 VAL 2 11.942 -13.025 -17.341 13 HG13 VAL 2 HG13 VAL 2 11.525 -14.540 -16.540 14 HG21 VAL 2 HG21 VAL 2 9.256 -11.359 -16.272 15 HG22 VAL 2 HG22 VAL 2 8.737 -11.713 -17.919 16 HG23 VAL 2 HG23 VAL 2 10.424 -11.317 -17.593 17 H LEU 3 H LEU 3 8.362 -16.113 -17.302 18 HA LEU 3 HA LEU 3 5.909 -15.984 -18.572 19 HB2 LEU 3 HB2 LEU 3 5.456 -17.611 -16.384 20 HB3 LEU 3 HB3 LEU 3 5.898 -18.123 -17.956 21 HG LEU 3 HG LEU 3 8.215 -18.228 -17.357 22 HD11 LEU 3 HD11 LEU 3 7.403 -16.210 -15.805 23 HD12 LEU 3 HD12 LEU 3 9.011 -16.962 -15.744 24 HD13 LEU 3 HD13 LEU 3 7.754 -17.454 -14.611 25 HD21 LEU 3 HD21 LEU 3 7.745 -19.519 -14.988 26 HD22 LEU 3 HD22 LEU 3 7.560 -20.247 -16.584 27 HD23 LEU 3 HD23 LEU 3 6.156 -19.581 -15.751 28 H ASP 4 H ASP 4 4.409 -16.819 -16.308 29 HA ASP 4 HA ASP 4 3.783 -14.543 -14.693 30 HB2 ASP 4 HB2 ASP 4 2.563 -14.081 -16.762 31 HB3 ASP 4 HB3 ASP 4 1.929 -15.732 -16.715 32 H LEU 5 H LEU 5 3.796 -17.748 -15.523 33 HA LEU 5 HA LEU 5 2.030 -19.286 -14.657 34 HB2 LEU 5 HB2 LEU 5 3.553 -20.881 -13.769 35 HB3 LEU 5 HB3 LEU 5 4.245 -20.056 -15.125 36 HG LEU 5 HG LEU 5 6.076 -20.122 -13.851 37 HD11 LEU 5 HD11 LEU 5 4.779 -17.619 -13.452 38 HD12 LEU 5 HD12 LEU 5 6.473 -17.991 -13.708 39 HD13 LEU 5 HD13 LEU 5 5.804 -18.023 -12.092 40 HD21 LEU 5 HD21 LEU 5 5.712 -21.403 -12.084 41 HD22 LEU 5 HD22 LEU 5 4.184 -20.618 -11.689 42 HD23 LEU 5 HD23 LEU 5 5.710 -19.878 -11.213 43 H ASP 6 H ASP 6 4.095 -18.475 -11.975 44 HA ASP 6 HA ASP 6 2.061 -17.578 -10.284 45 HB2 ASP 6 HB2 ASP 6 2.410 -20.320 -10.575 46 HB3 ASP 6 HB3 ASP 6 3.146 -19.926 -9.032 47 H VAL 7 H VAL 7 5.260 -18.620 -10.789 48 HA VAL 7 HA VAL 7 6.249 -17.471 -8.326 49 HB VAL 7 HB VAL 7 8.372 -18.544 -8.745 50 HG11 VAL 7 HG11 VAL 7 7.636 -20.893 -8.697 51 HG12 VAL 7 HG12 VAL 7 6.025 -20.382 -9.201 52 HG13 VAL 7 HG13 VAL 7 6.669 -19.862 -7.644 53 HG21 VAL 7 HG21 VAL 7 7.938 -20.237 -10.906 54 HG22 VAL 7 HG22 VAL 7 9.012 -18.840 -10.855 55 HG23 VAL 7 HG23 VAL 7 7.366 -18.663 -11.453 56 H ARG 8 H ARG 8 5.809 -16.337 -11.412 57 HA ARG 8 HA ARG 8 7.697 -14.250 -11.026 58 HB2 ARG 8 HB2 ARG 8 7.483 -15.957 -13.473 59 HB3 ARG 8 HB3 ARG 8 8.511 -14.580 -13.276 60 HG2 ARG 8 HG2 ARG 8 9.888 -15.641 -11.731 61 HG3 ARG 8 HG3 ARG 8 8.655 -16.861 -11.415 62 HD2 ARG 8 HD2 ARG 8 9.024 -17.889 -13.526 63 HD3 ARG 8 HD3 ARG 8 10.062 -16.573 -14.056 64 HE ARG 8 HE ARG 8 11.309 -17.549 -11.843 65 HH11 ARG 8 HH11 ARG 8 10.178 -18.970 -14.823 66 HH12 ARG 8 HH12 ARG 8 11.381 -20.214 -14.833 67 HH21 ARG 8 HH21 ARG 8 12.891 -19.188 -11.854 68 HH22 ARG 8 HH22 ARG 8 12.920 -20.339 -13.148 69 H THR 9 H THR 9 7.455 -13.029 -13.479 70 HA THR 9 HA THR 9 4.730 -12.699 -14.219 71 HB THR 9 HB THR 9 5.747 -10.111 -13.564 72 HG1 THR 9 HG1 THR 9 5.443 -10.460 -11.241 73 HG21 THR 9 HG21 THR 9 3.328 -11.524 -12.498 74 HG22 THR 9 HG22 THR 9 3.379 -10.612 -14.008 75 HG23 THR 9 HG23 THR 9 3.643 -9.789 -12.471 76 H CYS 10 H CYS 10 4.744 -10.425 -15.633 77 HA CYS 10 HA CYS 10 6.254 -11.067 -17.940 78 HB2 CYS 10 HB2 CYS 10 4.034 -9.742 -17.698 79 HB3 CYS 10 HB3 CYS 10 5.073 -8.349 -17.435 80 H LEU 11 H LEU 11 7.348 -8.858 -19.004 81 HA LEU 11 HA LEU 11 9.844 -8.623 -17.663 82 HB2 LEU 11 HB2 LEU 11 8.942 -8.311 -20.253 83 HB3 LEU 11 HB3 LEU 11 9.329 -6.671 -19.775 84 HG LEU 11 HG LEU 11 11.616 -7.419 -19.162 85 HD11 LEU 11 HD11 LEU 11 10.722 -9.865 -18.910 86 HD12 LEU 11 HD12 LEU 11 12.375 -9.567 -19.447 87 HD13 LEU 11 HD13 LEU 11 11.125 -9.965 -20.621 88 HD21 LEU 11 HD21 LEU 11 11.504 -6.438 -21.270 89 HD22 LEU 11 HD22 LEU 11 10.570 -7.769 -21.948 90 HD23 LEU 11 HD23 LEU 11 12.281 -7.988 -21.588 91 HA PRO 12 HA PRO 12 8.459 -5.395 -14.910 92 HB2 PRO 12 HB2 PRO 12 11.368 -4.971 -14.545 93 HB3 PRO 12 HB3 PRO 12 10.107 -5.253 -13.346 94 HG2 PRO 12 HG2 PRO 12 11.910 -7.132 -14.086 95 HG3 PRO 12 HG3 PRO 12 10.288 -7.499 -13.482 96 HD2 PRO 12 HD2 PRO 12 11.377 -7.699 -16.226 97 HD3 PRO 12 HD3 PRO 12 9.996 -8.543 -15.501 98 H CYS 13 H CYS 13 9.064 -3.125 -14.468 99 HA CYS 13 HA CYS 13 10.271 -1.663 -16.616 100 HB2 CYS 13 HB2 CYS 13 7.868 -2.032 -17.189 101 HB3 CYS 13 HB3 CYS 13 7.442 -1.120 -15.750 102 H GLY 14 H GLY 14 9.363 0.824 -15.860 103 HA2 GLY 14 HA2 GLY 14 9.976 2.565 -14.441 104 HA3 GLY 14 HA3 GLY 14 9.317 1.512 -13.220 105 HA PRO 15 HA PRO 15 13.696 1.983 -12.062 106 HB2 PRO 15 HB2 PRO 15 13.330 2.645 -9.527 107 HB3 PRO 15 HB3 PRO 15 12.883 3.787 -10.808 108 HG2 PRO 15 HG2 PRO 15 11.102 1.893 -9.314 109 HG3 PRO 15 HG3 PRO 15 10.902 3.638 -9.571 110 HD2 PRO 15 HD2 PRO 15 9.718 1.770 -11.152 111 HD3 PRO 15 HD3 PRO 15 10.204 3.368 -11.750 112 H GLY 16 H GLY 16 14.164 -0.227 -12.361 113 HA2 GLY 16 HA2 GLY 16 15.094 -2.102 -11.215 114 HA3 GLY 16 HA3 GLY 16 13.934 -1.847 -9.917 115 H GLY 17 H GLY 17 11.639 -2.232 -10.482 116 HA2 GLY 17 HA2 GLY 17 10.833 -3.593 -12.761 117 HA3 GLY 17 HA3 GLY 17 11.239 -4.798 -11.564 118 H LYS 18 H LYS 18 9.967 -1.672 -10.965 119 HA LYS 18 HA LYS 18 7.936 -2.456 -9.241 120 HB2 LYS 18 HB2 LYS 18 9.017 -0.034 -10.427 121 HB3 LYS 18 HB3 LYS 18 7.291 0.053 -10.119 122 HG2 LYS 18 HG2 LYS 18 8.978 0.859 -8.361 123 HG3 LYS 18 HG3 LYS 18 7.531 -0.027 -7.884 124 HD2 LYS 18 HD2 LYS 18 8.811 -2.068 -7.786 125 HD3 LYS 18 HD3 LYS 18 10.251 -1.235 -8.328 126 HE2 LYS 18 HE2 LYS 18 10.704 -1.098 -6.123 127 HE3 LYS 18 HE3 LYS 18 9.595 0.269 -6.183 128 HZ1 LYS 18 HZ1 LYS 18 8.315 -0.789 -4.737 129 HZ2 LYS 18 HZ2 LYS 18 9.339 -2.132 -4.744 130 HZ3 LYS 18 HZ3 LYS 18 8.065 -2.037 -5.852 131 H GLY 19 H GLY 19 8.107 -1.869 -12.584 132 HA2 GLY 19 HA2 GLY 19 5.349 -2.677 -12.900 133 HA3 GLY 19 HA3 GLY 19 5.961 -1.268 -13.755 134 H ARG 20 H ARG 20 5.317 -2.331 -15.593 135 HA ARG 20 HA ARG 20 7.375 -3.866 -16.866 136 HB2 ARG 20 HB2 ARG 20 6.012 -5.750 -17.451 137 HB3 ARG 20 HB3 ARG 20 6.050 -5.574 -15.701 138 HG2 ARG 20 HG2 ARG 20 3.855 -5.129 -15.563 139 HG3 ARG 20 HG3 ARG 20 3.855 -4.202 -17.066 140 HD2 ARG 20 HD2 ARG 20 2.901 -5.952 -18.046 141 HD3 ARG 20 HD3 ARG 20 4.444 -6.781 -17.835 142 HE ARG 20 HE ARG 20 3.474 -8.084 -16.233 143 HH11 ARG 20 HH11 ARG 20 1.494 -5.248 -16.701 144 HH12 ARG 20 HH12 ARG 20 0.243 -5.794 -15.637 145 HH21 ARG 20 HH21 ARG 20 1.835 -8.800 -14.831 146 HH22 ARG 20 HH22 ARG 20 0.436 -7.811 -14.574 147 H CYS 21 H CYS 21 6.441 -4.499 -19.187 148 HA CYS 21 HA CYS 21 5.787 -2.024 -20.422 149 HB2 CYS 21 HB2 CYS 21 6.273 -4.812 -21.275 150 HB3 CYS 21 HB3 CYS 21 5.422 -3.771 -22.391 151 H PHE 22 H PHE 22 4.027 -2.196 -22.225 152 HA PHE 22 HA PHE 22 1.645 -3.609 -21.381 153 HB2 PHE 22 HB2 PHE 22 1.935 -0.716 -20.815 154 HB3 PHE 22 HB3 PHE 22 0.365 -1.258 -21.403 155 HD1 PHE 22 HD1 PHE 22 2.939 -1.884 -18.806 156 HD2 PHE 22 HD2 PHE 22 -1.146 -2.282 -19.939 157 HE1 PHE 22 HE1 PHE 22 2.389 -2.674 -16.542 158 HE2 PHE 22 HE2 PHE 22 -1.701 -3.073 -17.675 159 HZ PHE 22 HZ PHE 22 0.070 -3.272 -15.973 160 H GLY 23 H GLY 23 2.818 -1.036 -23.505 161 HA2 GLY 23 HA2 GLY 23 1.862 -2.438 -25.815 162 HA3 GLY 23 HA3 GLY 23 0.755 -1.157 -25.389 163 HA PRO 24 HA PRO 24 3.377 1.215 -28.080 164 HB2 PRO 24 HB2 PRO 24 1.792 3.329 -28.364 165 HB3 PRO 24 HB3 PRO 24 1.296 1.745 -28.970 166 HG2 PRO 24 HG2 PRO 24 0.405 3.206 -26.531 167 HG3 PRO 24 HG3 PRO 24 -0.521 2.150 -27.608 168 HD2 PRO 24 HD2 PRO 24 0.632 1.440 -25.131 169 HD3 PRO 24 HD3 PRO 24 -0.030 0.329 -26.346 170 H SER 25 H SER 25 5.190 1.716 -26.796 171 HA SER 25 HA SER 25 6.579 3.061 -25.559 172 HB2 SER 25 HB2 SER 25 5.396 4.714 -27.316 173 HB3 SER 25 HB3 SER 25 4.743 5.400 -25.819 174 HG SER 25 HG SER 25 6.764 5.907 -25.166 175 H ILE 26 H ILE 26 3.974 1.821 -24.468 176 HA ILE 26 HA ILE 26 3.671 3.542 -22.131 177 HB ILE 26 HB ILE 26 1.698 2.727 -23.670 178 HG12 ILE 26 HG12 ILE 26 1.496 2.653 -20.651 179 HG13 ILE 26 HG13 ILE 26 1.537 4.139 -21.628 180 HG21 ILE 26 HG21 ILE 26 2.228 0.473 -21.798 181 HG22 ILE 26 HG22 ILE 26 1.949 0.416 -23.547 182 HG23 ILE 26 HG23 ILE 26 0.616 0.768 -22.452 183 HD11 ILE 26 HD11 ILE 26 -0.700 3.975 -21.714 184 HD12 ILE 26 HD12 ILE 26 -0.673 2.322 -21.101 185 HD13 ILE 26 HD13 ILE 26 -0.447 2.628 -22.827 186 H CYS 27 H CYS 27 3.454 2.702 -20.146 187 HA CYS 27 HA CYS 27 4.255 0.036 -19.471 188 HB2 CYS 27 HB2 CYS 27 6.182 2.072 -19.733 189 HB3 CYS 27 HB3 CYS 27 5.940 1.850 -18.009 190 H CYS 28 H CYS 28 4.014 -0.352 -17.187 191 HA CYS 28 HA CYS 28 2.686 1.668 -15.597 192 HB2 CYS 28 HB2 CYS 28 1.182 -0.146 -16.966 193 HB3 CYS 28 HB3 CYS 28 1.454 -1.010 -15.459 194 H GLY 29 H GLY 29 2.862 1.228 -13.280 195 HA2 GLY 29 HA2 GLY 29 4.506 -1.069 -12.686 196 HA3 GLY 29 HA3 GLY 29 4.930 0.485 -12.084 197 H ASP 30 H ASP 30 4.600 -1.282 -10.112 198 HA ASP 30 HA ASP 30 1.896 -1.577 -9.296 199 HB2 ASP 30 HB2 ASP 30 4.488 -2.497 -8.409 200 HB3 ASP 30 HB3 ASP 30 3.541 -1.924 -7.040 201 H GLU 31 H GLU 31 4.422 -0.148 -7.291 202 HA GLU 31 HA GLU 31 2.642 1.808 -6.222 203 HB2 GLU 31 HB2 GLU 31 4.670 2.611 -5.032 204 HB3 GLU 31 HB3 GLU 31 4.426 0.880 -4.827 205 HG2 GLU 31 HG2 GLU 31 6.403 0.422 -5.721 206 HG3 GLU 31 HG3 GLU 31 6.053 1.398 -7.153 207 H LEU 32 H LEU 32 4.489 1.389 -8.907 208 HA LEU 32 HA LEU 32 5.491 3.867 -9.547 209 HB2 LEU 32 HB2 LEU 32 5.426 1.223 -10.392 210 HB3 LEU 32 HB3 LEU 32 5.001 2.196 -11.719 211 HG LEU 32 HG LEU 32 7.527 2.067 -10.256 212 HD11 LEU 32 HD11 LEU 32 8.340 1.184 -12.135 213 HD12 LEU 32 HD12 LEU 32 7.368 2.229 -13.173 214 HD13 LEU 32 HD13 LEU 32 6.642 0.794 -12.424 215 HD21 LEU 32 HD21 LEU 32 6.535 4.523 -10.917 216 HD22 LEU 32 HD22 LEU 32 7.456 4.092 -12.358 217 HD23 LEU 32 HD23 LEU 32 8.245 4.128 -10.782 218 H GLY 33 H GLY 33 2.775 2.111 -10.840 219 HA2 GLY 33 HA2 GLY 33 0.680 3.042 -11.373 220 HA3 GLY 33 HA3 GLY 33 1.458 4.607 -11.419 221 H CYS 34 H CYS 34 0.067 4.576 -13.512 222 HA CYS 34 HA CYS 34 1.501 3.181 -15.628 223 HB2 CYS 34 HB2 CYS 34 -1.227 3.772 -15.147 224 HB3 CYS 34 HB3 CYS 34 -0.763 4.419 -16.714 225 H PHE 35 H PHE 35 2.700 4.152 -17.076 226 HA PHE 35 HA PHE 35 2.409 7.061 -17.464 227 HB2 PHE 35 HB2 PHE 35 5.117 5.896 -17.754 228 HB3 PHE 35 HB3 PHE 35 4.637 7.465 -17.162 229 HD1 PHE 35 HD1 PHE 35 4.501 3.881 -16.176 230 HD2 PHE 35 HD2 PHE 35 4.947 7.937 -14.952 231 HE1 PHE 35 HE1 PHE 35 4.929 3.128 -13.881 232 HE2 PHE 35 HE2 PHE 35 5.375 7.182 -12.639 233 HZ PHE 35 HZ PHE 35 5.368 4.773 -12.115 234 H VAL 36 H VAL 36 2.029 7.516 -19.581 235 HA VAL 36 HA VAL 36 2.748 5.465 -21.552 236 HB VAL 36 HB VAL 36 1.095 7.875 -22.230 237 HG11 VAL 36 HG11 VAL 36 0.567 6.752 -24.131 238 HG12 VAL 36 HG12 VAL 36 0.592 5.177 -23.341 239 HG13 VAL 36 HG13 VAL 36 2.110 5.956 -23.804 240 HG21 VAL 36 HG21 VAL 36 0.051 6.905 -20.249 241 HG22 VAL 36 HG22 VAL 36 0.053 5.320 -21.015 242 HG23 VAL 36 HG23 VAL 36 -0.934 6.618 -21.685 243 H GLY 37 H GLY 37 4.693 5.723 -22.307 244 HA2 GLY 37 HA2 GLY 37 6.500 6.685 -23.373 245 HA3 GLY 37 HA3 GLY 37 5.406 7.957 -23.898 246 H THR 38 H THR 38 5.461 7.541 -20.540 247 HA THR 38 HA THR 38 6.636 10.107 -20.086 248 HB THR 38 HB THR 38 6.083 8.037 -17.972 249 HG1 THR 38 HG1 THR 38 4.241 7.948 -19.114 250 HG21 THR 38 HG21 THR 38 6.882 10.536 -17.557 251 HG22 THR 38 HG22 THR 38 5.747 9.703 -16.489 252 HG23 THR 38 HG23 THR 38 5.153 10.828 -17.715 253 H ALA 39 H ALA 39 8.201 9.813 -17.836 254 HA ALA 39 HA ALA 39 10.665 8.938 -18.958 255 HB1 ALA 39 HB1 ALA 39 9.847 10.118 -16.341 256 HB2 ALA 39 HB2 ALA 39 10.940 10.755 -17.570 257 HB3 ALA 39 HB3 ALA 39 11.458 9.426 -16.533 258 H GLU 40 H GLU 40 8.676 7.723 -16.233 259 HA GLU 40 HA GLU 40 10.412 5.497 -15.805 260 HB2 GLU 40 HB2 GLU 40 8.004 6.620 -14.601 261 HB3 GLU 40 HB3 GLU 40 8.037 4.866 -14.588 262 HG2 GLU 40 HG2 GLU 40 9.157 5.153 -12.667 263 HG3 GLU 40 HG3 GLU 40 10.535 5.389 -13.738 264 H ALA 41 H ALA 41 8.183 6.126 -18.203 265 HA ALA 41 HA ALA 41 7.231 3.383 -18.473 266 HB1 ALA 41 HB1 ALA 41 5.907 5.592 -18.808 267 HB2 ALA 41 HB2 ALA 41 5.617 4.214 -19.872 268 HB3 ALA 41 HB3 ALA 41 6.638 5.549 -20.405 269 H LEU 42 H LEU 42 9.851 5.197 -19.641 270 HA LEU 42 HA LEU 42 9.946 4.222 -22.266 271 HB2 LEU 42 HB2 LEU 42 12.362 4.940 -22.136 272 HB3 LEU 42 HB3 LEU 42 11.150 6.173 -21.871 273 HG LEU 42 HG LEU 42 11.877 6.626 -19.799 274 HD11 LEU 42 HD11 LEU 42 12.440 5.014 -18.108 275 HD12 LEU 42 HD12 LEU 42 12.515 3.726 -19.306 276 HD13 LEU 42 HD13 LEU 42 10.970 4.499 -18.932 277 HD21 LEU 42 HD21 LEU 42 13.943 6.728 -20.992 278 HD22 LEU 42 HD22 LEU 42 14.193 4.993 -20.807 279 HD23 LEU 42 HD23 LEU 42 14.260 6.049 -19.396 280 H ARG 43 H ARG 43 10.508 2.691 -19.323 281 HA ARG 43 HA ARG 43 12.630 1.015 -19.750 282 HB2 ARG 43 HB2 ARG 43 10.426 1.140 -17.995 283 HB3 ARG 43 HB3 ARG 43 10.578 -0.516 -18.560 284 HG2 ARG 43 HG2 ARG 43 11.828 -0.169 -16.504 285 HG3 ARG 43 HG3 ARG 43 12.916 -0.541 -17.844 286 HD2 ARG 43 HD2 ARG 43 13.986 1.242 -16.827 287 HD3 ARG 43 HD3 ARG 43 13.065 2.038 -18.105 288 HE ARG 43 HE ARG 43 11.404 2.095 -15.952 289 HH11 ARG 43 HH11 ARG 43 14.668 3.170 -16.552 290 HH12 ARG 43 HH12 ARG 43 14.583 4.469 -15.411 291 HH21 ARG 43 HH21 ARG 43 11.296 3.803 -14.446 292 HH22 ARG 43 HH22 ARG 43 12.670 4.827 -14.215 293 H CYS 44 H CYS 44 9.594 1.001 -21.401 294 HA CYS 44 HA CYS 44 9.630 -1.676 -22.238 295 HB2 CYS 44 HB2 CYS 44 7.838 0.365 -22.467 296 HB3 CYS 44 HB3 CYS 44 8.435 0.250 -24.116 297 H GLN 45 H GLN 45 11.707 0.824 -22.944 298 HA GLN 45 HA GLN 45 12.328 0.268 -25.620 299 HB2 GLN 45 HB2 GLN 45 13.425 1.859 -23.428 300 HB3 GLN 45 HB3 GLN 45 14.657 1.213 -24.494 301 HG2 GLN 45 HG2 GLN 45 14.121 2.597 -26.166 302 HG3 GLN 45 HG3 GLN 45 12.389 2.423 -25.885 303 HE21 GLN 45 HE21 GLN 45 11.337 3.876 -24.593 304 HE22 GLN 45 HE22 GLN 45 12.071 5.322 -23.998 305 H GLU 46 H GLU 46 12.742 -1.328 -22.720 306 HA GLU 46 HA GLU 46 15.080 -2.884 -23.466 307 HB2 GLU 46 HB2 GLU 46 14.954 -3.884 -21.333 308 HB3 GLU 46 HB3 GLU 46 14.478 -2.214 -21.063 309 HG2 GLU 46 HG2 GLU 46 12.591 -2.881 -20.141 310 HG3 GLU 46 HG3 GLU 46 12.136 -3.724 -21.621 311 H GLU 47 H GLU 47 11.726 -2.846 -23.930 312 HA GLU 47 HA GLU 47 11.294 -5.654 -24.246 313 HB2 GLU 47 HB2 GLU 47 9.668 -3.420 -24.056 314 HB3 GLU 47 HB3 GLU 47 9.473 -3.916 -25.731 315 HG2 GLU 47 HG2 GLU 47 9.167 -6.286 -24.617 316 HG3 GLU 47 HG3 GLU 47 8.693 -5.309 -23.233 317 H ASN 48 H ASN 48 13.206 -3.638 -25.993 318 HA ASN 48 HA ASN 48 12.470 -4.164 -28.643 319 HB2 ASN 48 HB2 ASN 48 14.567 -2.802 -27.289 320 HB3 ASN 48 HB3 ASN 48 15.309 -3.900 -28.451 321 HD21 ASN 48 HD21 ASN 48 13.105 -1.218 -28.048 322 HD22 ASN 48 HD22 ASN 48 13.160 -0.676 -29.688 323 H TYR 49 H TYR 49 13.725 -6.194 -26.237 324 HA TYR 49 HA TYR 49 15.364 -7.938 -27.694 325 HB2 TYR 49 HB2 TYR 49 15.114 -9.469 -25.868 326 HB3 TYR 49 HB3 TYR 49 15.109 -7.840 -25.187 327 HD1 TYR 49 HD1 TYR 49 12.395 -6.938 -25.488 328 HD2 TYR 49 HD2 TYR 49 13.803 -10.827 -24.541 329 HE1 TYR 49 HE1 TYR 49 10.276 -7.415 -24.354 330 HE2 TYR 49 HE2 TYR 49 11.684 -11.321 -23.402 331 HH TYR 49 HH TYR 49 9.770 -9.565 -22.219 332 H LEU 50 H LEU 50 13.708 -10.414 -26.895 333 HA LEU 50 HA LEU 50 12.216 -10.526 -29.412 334 HB2 LEU 50 HB2 LEU 50 13.460 -12.604 -27.645 335 HB3 LEU 50 HB3 LEU 50 12.228 -13.049 -28.810 336 HG LEU 50 HG LEU 50 14.015 -11.558 -30.313 337 HD11 LEU 50 HD11 LEU 50 15.931 -11.505 -29.164 338 HD12 LEU 50 HD12 LEU 50 16.067 -13.212 -29.587 339 HD13 LEU 50 HD13 LEU 50 15.395 -12.740 -28.025 340 HD21 LEU 50 HD21 LEU 50 13.488 -13.346 -31.529 341 HD22 LEU 50 HD22 LEU 50 13.089 -14.291 -30.095 342 HD23 LEU 50 HD23 LEU 50 14.757 -14.213 -30.663 343 HA PRO 51 HA PRO 51 8.096 -10.651 -27.870 344 HB2 PRO 51 HB2 PRO 51 8.055 -13.396 -29.078 345 HB3 PRO 51 HB3 PRO 51 6.837 -12.113 -29.170 346 HG2 PRO 51 HG2 PRO 51 8.442 -12.449 -31.212 347 HG3 PRO 51 HG3 PRO 51 8.149 -10.807 -30.602 348 HD2 PRO 51 HD2 PRO 51 10.546 -12.558 -30.229 349 HD3 PRO 51 HD3 PRO 51 10.460 -10.804 -30.498 350 H SER 52 H SER 52 6.597 -11.924 -26.480 351 HA SER 52 HA SER 52 7.357 -14.223 -25.067 352 HB2 SER 52 HB2 SER 52 8.078 -13.298 -22.934 353 HB3 SER 52 HB3 SER 52 9.139 -12.714 -24.211 354 HG SER 52 HG SER 52 7.411 -11.331 -22.589 355 HA PRO 53 HA PRO 53 3.277 -13.513 -23.419 356 HB2 PRO 53 HB2 PRO 53 3.243 -15.062 -21.226 357 HB3 PRO 53 HB3 PRO 53 3.443 -15.748 -22.841 358 HG2 PRO 53 HG2 PRO 53 5.423 -15.430 -20.678 359 HG3 PRO 53 HG3 PRO 53 5.406 -16.573 -22.030 360 HD2 PRO 53 HD2 PRO 53 6.856 -14.105 -21.806 361 HD3 PRO 53 HD3 PRO 53 6.852 -15.251 -23.160 362 H CYS 54 H CYS 54 2.130 -12.111 -22.173 363 HA CYS 54 HA CYS 54 3.493 -10.918 -19.898 364 HB2 CYS 54 HB2 CYS 54 2.953 -9.567 -22.162 365 HB3 CYS 54 HB3 CYS 54 1.488 -9.240 -21.240 366 H GLN 55 H GLN 55 2.558 -12.229 -18.411 367 HA GLN 55 HA GLN 55 0.961 -13.085 -17.047 368 HB2 GLN 55 HB2 GLN 55 -0.165 -11.374 -15.758 369 HB3 GLN 55 HB3 GLN 55 1.490 -10.895 -16.113 370 HG2 GLN 55 HG2 GLN 55 0.806 -9.037 -17.104 371 HG3 GLN 55 HG3 GLN 55 -0.284 -9.932 -18.155 372 HE21 GLN 55 HE21 GLN 55 -2.348 -10.651 -17.070 373 HE22 GLN 55 HE22 GLN 55 -3.117 -9.509 -16.029 374 H SER 56 H SER 56 -1.485 -12.699 -16.313 375 HA SER 56 HA SER 56 -3.326 -12.428 -18.464 376 HB2 SER 56 HB2 SER 56 -2.339 -14.856 -18.486 377 HB3 SER 56 HB3 SER 56 -3.402 -15.095 -17.101 378 HG SER 56 HG SER 56 -4.685 -13.862 -19.150 379 H GLY 57 H GLY 57 -5.640 -13.233 -17.504 380 HA2 GLY 57 HA2 GLY 57 -7.280 -12.736 -15.957 381 HA3 GLY 57 HA3 GLY 57 -6.087 -13.150 -14.730 382 H GLN 58 H GLN 58 -7.831 -10.610 -16.240 383 HA GLN 58 HA GLN 58 -6.110 -8.635 -14.947 384 HB2 GLN 58 HB2 GLN 58 -7.604 -8.732 -17.475 385 HB3 GLN 58 HB3 GLN 58 -7.550 -7.187 -16.655 386 HG2 GLN 58 HG2 GLN 58 -4.946 -8.325 -16.619 387 HG3 GLN 58 HG3 GLN 58 -5.575 -8.396 -18.259 388 HE21 GLN 58 HE21 GLN 58 -4.721 -6.301 -15.607 389 HE22 GLN 58 HE22 GLN 58 -4.623 -4.842 -16.529 390 H LYS 59 H LYS 59 -7.083 -6.700 -14.438 391 HA LYS 59 HA LYS 59 -9.430 -6.892 -12.741 392 HB2 LYS 59 HB2 LYS 59 -7.119 -5.944 -12.046 393 HB3 LYS 59 HB3 LYS 59 -7.713 -4.500 -12.836 394 HG2 LYS 59 HG2 LYS 59 -8.974 -5.910 -10.500 395 HG3 LYS 59 HG3 LYS 59 -8.121 -4.368 -10.458 396 HD2 LYS 59 HD2 LYS 59 -9.832 -3.294 -11.714 397 HD3 LYS 59 HD3 LYS 59 -10.599 -4.832 -12.104 398 HE2 LYS 59 HE2 LYS 59 -11.308 -5.146 -9.859 399 HE3 LYS 59 HE3 LYS 59 -10.321 -3.798 -9.296 400 HZ1 LYS 59 HZ1 LYS 59 -11.724 -2.269 -10.455 401 HZ2 LYS 59 HZ2 LYS 59 -12.706 -3.262 -9.501 402 HZ3 LYS 59 HZ3 LYS 59 -12.607 -3.523 -11.169 403 HA PRO 60 HA PRO 60 -10.620 -4.429 -16.686 404 HB2 PRO 60 HB2 PRO 60 -13.110 -5.999 -16.482 405 HB3 PRO 60 HB3 PRO 60 -12.136 -5.609 -17.901 406 HG2 PRO 60 HG2 PRO 60 -12.164 -8.042 -16.667 407 HG3 PRO 60 HG3 PRO 60 -10.824 -7.430 -17.648 408 HD2 PRO 60 HD2 PRO 60 -10.968 -7.826 -14.755 409 HD3 PRO 60 HD3 PRO 60 -9.573 -7.570 -15.811 410 H CYS 61 H CYS 61 -11.577 -2.661 -16.733 411 HA CYS 61 HA CYS 61 -14.013 -2.091 -15.325 412 HB2 CYS 61 HB2 CYS 61 -12.753 0.152 -14.548 413 HB3 CYS 61 HB3 CYS 61 -12.959 -1.262 -13.529 414 H GLY 62 H GLY 62 -15.086 -0.165 -15.973 415 HA2 GLY 62 HA2 GLY 62 -14.786 0.320 -18.713 416 HA3 GLY 62 HA3 GLY 62 -15.925 1.086 -17.636 417 H SER 63 H SER 63 -12.418 1.281 -17.313 418 HA SER 63 HA SER 63 -12.650 4.099 -17.902 419 HB2 SER 63 HB2 SER 63 -11.945 3.305 -15.555 420 HB3 SER 63 HB3 SER 63 -10.422 2.896 -16.329 421 HG SER 63 HG SER 63 -11.439 5.346 -15.663 422 H GLY 64 H GLY 64 -12.432 2.321 -19.970 423 HA2 GLY 64 HA2 GLY 64 -11.308 2.280 -21.973 424 HA3 GLY 64 HA3 GLY 64 -10.071 3.256 -21.228 425 H GLY 65 H GLY 65 -10.838 0.376 -19.552 426 HA2 GLY 65 HA2 GLY 65 -9.472 -1.603 -20.787 427 HA3 GLY 65 HA3 GLY 65 -8.214 -0.623 -20.132 428 H ARG 66 H ARG 66 -7.435 -2.215 -18.841 429 HA ARG 66 HA ARG 66 -9.196 -2.988 -16.658 430 HB2 ARG 66 HB2 ARG 66 -6.750 -4.565 -17.194 431 HB3 ARG 66 HB3 ARG 66 -8.289 -5.064 -16.506 432 HG2 ARG 66 HG2 ARG 66 -7.714 -4.496 -19.417 433 HG3 ARG 66 HG3 ARG 66 -7.943 -6.087 -18.688 434 HD2 ARG 66 HD2 ARG 66 -10.210 -5.157 -17.943 435 HD3 ARG 66 HD3 ARG 66 -9.948 -3.917 -19.151 436 HE ARG 66 HE ARG 66 -9.846 -6.757 -19.887 437 HH11 ARG 66 HH11 ARG 66 -11.295 -3.595 -20.244 438 HH12 ARG 66 HH12 ARG 66 -12.316 -4.081 -21.553 439 HH21 ARG 66 HH21 ARG 66 -11.204 -7.391 -21.592 440 HH22 ARG 66 HH22 ARG 66 -12.268 -6.231 -22.316 441 H CYS 67 H CYS 67 -8.397 -2.910 -14.493 442 HA CYS 67 HA CYS 67 -7.015 -0.871 -13.669 443 HB2 CYS 67 HB2 CYS 67 -8.101 -2.583 -12.249 444 HB3 CYS 67 HB3 CYS 67 -6.628 -3.537 -12.380 445 H ALA 68 H ALA 68 -5.386 -1.017 -15.634 446 HA ALA 68 HA ALA 68 -3.072 -2.153 -15.889 447 HB1 ALA 68 HB1 ALA 68 -3.581 -0.194 -17.102 448 HB2 ALA 68 HB2 ALA 68 -2.067 0.097 -16.259 449 HB3 ALA 68 HB3 ALA 68 -3.567 0.788 -15.632 450 H ALA 69 H ALA 69 -3.678 -0.074 -12.895 451 HA ALA 69 HA ALA 69 -1.415 -1.360 -11.653 452 HB1 ALA 69 HB1 ALA 69 -0.085 0.219 -12.697 453 HB2 ALA 69 HB2 ALA 69 -0.478 1.036 -11.187 454 HB3 ALA 69 HB3 ALA 69 -1.346 1.462 -12.668 455 H ALA 70 H ALA 70 -0.918 0.075 -9.613 456 HA ALA 70 HA ALA 70 -2.191 -0.162 -7.381 457 HB1 ALA 70 HB1 ALA 70 -2.326 2.738 -7.601 458 HB2 ALA 70 HB2 ALA 70 -0.799 2.092 -8.239 459 HB3 ALA 70 HB3 ALA 70 -1.283 1.729 -6.582 460 H GLY 71 H GLY 71 -3.407 1.882 -9.754 461 HA2 GLY 71 HA2 GLY 71 -6.024 1.253 -9.675 462 HA3 GLY 71 HA3 GLY 71 -5.868 2.682 -8.691 463 H ILE 72 H ILE 72 -5.271 1.259 -11.723 464 HA ILE 72 HA ILE 72 -5.745 3.679 -13.155 465 HB ILE 72 HB ILE 72 -3.136 2.190 -13.372 466 HG12 ILE 72 HG12 ILE 72 -3.625 4.421 -12.002 467 HG13 ILE 72 HG13 ILE 72 -2.100 4.130 -12.833 468 HG21 ILE 72 HG21 ILE 72 -4.495 3.888 -15.458 469 HG22 ILE 72 HG22 ILE 72 -3.846 2.265 -15.624 470 HG23 ILE 72 HG23 ILE 72 -2.760 3.628 -15.433 471 HD11 ILE 72 HD11 ILE 72 -4.001 6.226 -13.235 472 HD12 ILE 72 HD12 ILE 72 -3.779 5.304 -14.743 473 HD13 ILE 72 HD13 ILE 72 -2.384 6.014 -13.915 474 H CYS 73 H CYS 73 -7.357 2.929 -14.330 475 HA CYS 73 HA CYS 73 -7.238 0.247 -15.303 476 HB2 CYS 73 HB2 CYS 73 -9.286 1.306 -14.186 477 HB3 CYS 73 HB3 CYS 73 -9.491 2.216 -15.658 478 H CYS 74 H CYS 74 -5.942 0.137 -16.983 479 HA CYS 74 HA CYS 74 -6.229 2.166 -19.057 480 HB2 CYS 74 HB2 CYS 74 -4.492 3.076 -17.986 481 HB3 CYS 74 HB3 CYS 74 -3.999 1.596 -17.249 482 H SER 75 H SER 75 -5.345 1.722 -20.947 483 HA SER 75 HA SER 75 -4.408 -0.984 -21.585 484 HB2 SER 75 HB2 SER 75 -6.236 0.708 -23.307 485 HB3 SER 75 HB3 SER 75 -5.761 -0.952 -23.622 486 HG SER 75 HG SER 75 -7.627 -1.270 -22.644 487 HA PRO 76 HA PRO 76 -1.663 1.519 -24.264 488 HB2 PRO 76 HB2 PRO 76 -2.158 1.273 -26.892 489 HB3 PRO 76 HB3 PRO 76 -1.644 -0.119 -25.933 490 HG2 PRO 76 HG2 PRO 76 -4.299 0.507 -27.058 491 HG3 PRO 76 HG3 PRO 76 -3.596 -1.060 -26.630 492 HD2 PRO 76 HD2 PRO 76 -5.439 0.510 -25.101 493 HD3 PRO 76 HD3 PRO 76 -4.682 -1.034 -24.667 494 H ASP 77 H ASP 77 -4.915 1.895 -25.447 495 HA ASP 77 HA ASP 77 -4.941 4.332 -26.701 496 HB2 ASP 77 HB2 ASP 77 -6.825 2.403 -25.789 497 HB3 ASP 77 HB3 ASP 77 -7.400 3.991 -25.289 498 H GLY 78 H GLY 78 -5.181 3.619 -23.256 499 HA2 GLY 78 HA2 GLY 78 -4.043 6.019 -22.538 500 HA3 GLY 78 HA3 GLY 78 -5.763 6.251 -22.434 501 H CYS 79 H CYS 79 -3.898 6.391 -20.254 502 HA CYS 79 HA CYS 79 -5.035 4.249 -18.664 503 HB2 CYS 79 HB2 CYS 79 -2.476 5.576 -17.905 504 HB3 CYS 79 HB3 CYS 79 -3.148 4.102 -17.267 505 H GLU 80 H GLU 80 -5.743 4.789 -16.725 506 HA GLU 80 HA GLU 80 -5.334 7.480 -15.804 507 HB2 GLU 80 HB2 GLU 80 -7.551 8.287 -15.908 508 HB3 GLU 80 HB3 GLU 80 -7.180 7.645 -17.502 509 HG2 GLU 80 HG2 GLU 80 -9.013 6.425 -17.383 510 HG3 GLU 80 HG3 GLU 80 -8.280 5.519 -16.058 511 H GLU 81 H GLU 81 -5.753 7.819 -13.637 512 HA GLU 81 HA GLU 81 -5.675 5.611 -12.002 513 HB2 GLU 81 HB2 GLU 81 -6.489 7.326 -10.232 514 HB3 GLU 81 HB3 GLU 81 -4.946 7.583 -11.017 515 HG2 GLU 81 HG2 GLU 81 -6.806 8.868 -12.619 516 HG3 GLU 81 HG3 GLU 81 -7.229 9.231 -10.970 517 H ASP 82 H ASP 82 -7.187 4.177 -11.615 518 HA ASP 82 HA ASP 82 -9.928 4.852 -12.192 519 HB2 ASP 82 HB2 ASP 82 -10.258 2.359 -12.293 520 HB3 ASP 82 HB3 ASP 82 -9.160 3.025 -13.504 521 HA PRO 83 HA PRO 83 -10.373 5.072 -7.693 522 HB2 PRO 83 HB2 PRO 83 -13.115 5.590 -8.770 523 HB3 PRO 83 HB3 PRO 83 -12.249 6.455 -7.488 524 HG2 PRO 83 HG2 PRO 83 -12.427 7.538 -9.881 525 HG3 PRO 83 HG3 PRO 83 -10.866 7.559 -9.038 526 HD2 PRO 83 HD2 PRO 83 -11.794 5.746 -11.231 527 HD3 PRO 83 HD3 PRO 83 -10.213 6.508 -11.011 528 H ALA 84 H ALA 84 -11.736 3.266 -10.125 529 HA ALA 84 HA ALA 84 -13.432 1.518 -8.760 530 HB1 ALA 84 HB1 ALA 84 -12.168 1.863 -11.370 531 HB2 ALA 84 HB2 ALA 84 -13.809 1.312 -10.994 532 HB3 ALA 84 HB3 ALA 84 -12.459 0.176 -10.940 533 H CYS 85 H CYS 85 -10.067 1.884 -9.143 534 HA CYS 85 HA CYS 85 -9.577 -0.711 -8.023 535 HB2 CYS 85 HB2 CYS 85 -8.302 0.553 -10.147 536 HB3 CYS 85 HB3 CYS 85 -7.148 0.420 -8.828 537 H ASP 86 H ASP 86 -8.681 2.714 -7.224 538 HA ASP 86 HA ASP 86 -8.284 2.116 -4.499 539 HB2 ASP 86 HB2 ASP 86 -6.645 0.512 -5.601 540 HB3 ASP 86 HB3 ASP 86 -5.689 1.956 -5.936 541 HA PRO 87 HA PRO 87 -5.421 5.822 -5.080 542 HB2 PRO 87 HB2 PRO 87 -5.258 6.842 -7.706 543 HB3 PRO 87 HB3 PRO 87 -4.120 5.793 -6.917 544 HG2 PRO 87 HG2 PRO 87 -5.631 5.076 -9.092 545 HG3 PRO 87 HG3 PRO 87 -4.910 3.950 -7.928 546 HD2 PRO 87 HD2 PRO 87 -7.701 5.075 -7.956 547 HD3 PRO 87 HD3 PRO 87 -7.222 3.385 -7.801 548 H GLU 88 H GLU 88 -7.328 6.719 -7.775 549 HA GLU 88 HA GLU 88 -8.291 9.149 -6.538 550 HB2 GLU 88 HB2 GLU 88 -7.720 8.886 -9.020 551 HB3 GLU 88 HB3 GLU 88 -9.113 7.813 -9.097 552 HG2 GLU 88 HG2 GLU 88 -10.109 9.721 -9.805 553 HG3 GLU 88 HG3 GLU 88 -10.342 9.922 -8.068 554 H ALA 89 H ALA 89 -8.706 6.255 -5.925 555 HA ALA 89 HA ALA 89 -11.091 5.170 -6.438 556 HB1 ALA 89 HB1 ALA 89 -9.127 4.738 -4.287 557 HB2 ALA 89 HB2 ALA 89 -9.517 3.749 -5.691 558 HB3 ALA 89 HB3 ALA 89 -10.629 3.817 -4.328 559 H ALA 90 H ALA 90 -12.614 4.434 -5.410 560 HA ALA 90 HA ALA 90 -14.185 6.148 -3.664 561 HB1 ALA 90 HB1 ALA 90 -15.997 4.536 -4.416 562 HB2 ALA 90 HB2 ALA 90 -14.775 3.810 -5.478 563 HB3 ALA 90 HB3 ALA 90 -15.282 5.492 -5.721 564 H PHE 91 H PHE 91 -15.755 3.760 -2.669 565 HA PHE 91 HA PHE 91 -13.811 2.863 -0.760 566 HB2 PHE 91 HB2 PHE 91 -16.559 2.884 -0.791 567 HB3 PHE 91 HB3 PHE 91 -16.216 1.185 -1.099 568 HD1 PHE 91 HD1 PHE 91 -14.023 0.460 0.489 569 HD2 PHE 91 HD2 PHE 91 -17.096 3.258 1.402 570 HE1 PHE 91 HE1 PHE 91 -13.624 0.107 2.890 571 HE2 PHE 91 HE2 PHE 91 -16.702 2.913 3.805 572 HZ PHE 91 HZ PHE 91 -14.965 1.335 4.552 573 H SER 92 H SER 92 -12.751 2.464 -3.246 574 HA SER 92 HA SER 92 -13.101 -0.301 -4.041 575 HB2 SER 92 HB2 SER 92 -12.928 1.009 -5.956 576 HB3 SER 92 HB3 SER 92 -11.729 2.112 -5.256 577 HG SER 92 HG SER 92 -11.402 -0.419 -6.418 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 12.520 -21.575 -16.126 2 H2 ALA 1 H2 ALA 1 12.718 -22.120 -17.742 3 H3 ALA 1 H3 ALA 1 11.226 -22.362 -16.928 4 HA ALA 1 HA ALA 1 12.234 -19.657 -17.185 5 HB1 ALA 1 HB1 ALA 1 11.183 -19.460 -19.412 6 HB2 ALA 1 HB2 ALA 1 10.976 -21.211 -19.441 7 HB3 ALA 1 HB3 ALA 1 12.597 -20.515 -19.411 8 H VAL 2 H VAL 2 10.782 -18.399 -16.249 9 HA VAL 2 HA VAL 2 8.321 -19.414 -15.261 10 HB VAL 2 HB VAL 2 7.858 -17.022 -14.636 11 HG11 VAL 2 HG11 VAL 2 10.465 -18.276 -13.795 12 HG12 VAL 2 HG12 VAL 2 8.884 -18.484 -13.039 13 HG13 VAL 2 HG13 VAL 2 9.700 -16.922 -12.963 14 HG21 VAL 2 HG21 VAL 2 8.953 -15.713 -16.208 15 HG22 VAL 2 HG22 VAL 2 10.439 -16.654 -16.105 16 HG23 VAL 2 HG23 VAL 2 9.990 -15.572 -14.790 17 H LEU 3 H LEU 3 6.256 -18.885 -15.799 18 HA LEU 3 HA LEU 3 5.532 -19.011 -18.355 19 HB2 LEU 3 HB2 LEU 3 4.235 -18.413 -15.829 20 HB3 LEU 3 HB3 LEU 3 3.318 -17.969 -17.230 21 HG LEU 3 HG LEU 3 2.564 -20.107 -16.756 22 HD11 LEU 3 HD11 LEU 3 3.227 -19.813 -19.028 23 HD12 LEU 3 HD12 LEU 3 3.431 -21.492 -18.510 24 HD13 LEU 3 HD13 LEU 3 4.836 -20.428 -18.633 25 HD21 LEU 3 HD21 LEU 3 4.937 -21.686 -16.600 26 HD22 LEU 3 HD22 LEU 3 3.613 -21.549 -15.448 27 HD23 LEU 3 HD23 LEU 3 4.964 -20.433 -15.376 28 H ASP 4 H ASP 4 3.683 -17.654 -19.088 29 HA ASP 4 HA ASP 4 4.246 -14.863 -19.286 30 HB2 ASP 4 HB2 ASP 4 5.495 -15.939 -21.110 31 HB3 ASP 4 HB3 ASP 4 3.994 -16.710 -21.625 32 H LEU 5 H LEU 5 2.232 -17.580 -19.596 33 HA LEU 5 HA LEU 5 -0.047 -16.378 -20.647 34 HB2 LEU 5 HB2 LEU 5 -1.174 -18.410 -20.046 35 HB3 LEU 5 HB3 LEU 5 0.412 -18.800 -20.663 36 HG LEU 5 HG LEU 5 0.659 -20.127 -18.905 37 HD11 LEU 5 HD11 LEU 5 1.931 -19.140 -17.477 38 HD12 LEU 5 HD12 LEU 5 0.572 -18.462 -16.646 39 HD13 LEU 5 HD13 LEU 5 1.346 -17.566 -17.926 40 HD21 LEU 5 HD21 LEU 5 -1.828 -20.049 -18.692 41 HD22 LEU 5 HD22 LEU 5 -1.617 -18.836 -17.440 42 HD23 LEU 5 HD23 LEU 5 -0.947 -20.438 -17.229 43 H ASP 6 H ASP 6 -1.600 -17.694 -18.273 44 HA ASP 6 HA ASP 6 -1.932 -15.252 -16.810 45 HB2 ASP 6 HB2 ASP 6 -3.617 -17.510 -17.583 46 HB3 ASP 6 HB3 ASP 6 -3.911 -16.915 -15.956 47 H VAL 7 H VAL 7 -0.645 -18.374 -16.316 48 HA VAL 7 HA VAL 7 -1.131 -18.410 -13.516 49 HB VAL 7 HB VAL 7 0.119 -20.436 -13.346 50 HG11 VAL 7 HG11 VAL 7 -1.182 -21.820 -14.662 51 HG12 VAL 7 HG12 VAL 7 -1.162 -20.710 -16.017 52 HG13 VAL 7 HG13 VAL 7 -2.131 -20.340 -14.603 53 HG21 VAL 7 HG21 VAL 7 2.049 -20.539 -14.474 54 HG22 VAL 7 HG22 VAL 7 1.481 -19.442 -15.713 55 HG23 VAL 7 HG23 VAL 7 1.080 -21.153 -15.812 56 H ARG 8 H ARG 8 1.085 -16.743 -15.356 57 HA ARG 8 HA ARG 8 2.487 -16.031 -13.015 58 HB2 ARG 8 HB2 ARG 8 3.744 -17.029 -15.491 59 HB3 ARG 8 HB3 ARG 8 4.613 -16.223 -14.229 60 HG2 ARG 8 HG2 ARG 8 3.859 -17.882 -12.617 61 HG3 ARG 8 HG3 ARG 8 2.975 -18.679 -13.916 62 HD2 ARG 8 HD2 ARG 8 4.873 -19.487 -14.860 63 HD3 ARG 8 HD3 ARG 8 5.889 -18.206 -14.243 64 HE ARG 8 HE ARG 8 5.561 -20.737 -13.146 65 HH11 ARG 8 HH11 ARG 8 5.531 -17.396 -12.139 66 HH12 ARG 8 HH12 ARG 8 6.044 -17.754 -10.528 67 HH21 ARG 8 HH21 ARG 8 6.263 -21.202 -11.038 68 HH22 ARG 8 HH22 ARG 8 6.472 -19.909 -9.906 69 H THR 9 H THR 9 3.869 -14.117 -13.344 70 HA THR 9 HA THR 9 3.609 -12.444 -15.590 71 HB THR 9 HB THR 9 2.415 -11.063 -13.342 72 HG1 THR 9 HG1 THR 9 1.054 -12.606 -12.933 73 HG21 THR 9 HG21 THR 9 2.583 -10.546 -15.959 74 HG22 THR 9 HG22 THR 9 1.383 -9.824 -14.885 75 HG23 THR 9 HG23 THR 9 0.962 -11.229 -15.863 76 H CYS 10 H CYS 10 5.414 -11.153 -15.616 77 HA CYS 10 HA CYS 10 6.381 -9.942 -13.238 78 HB2 CYS 10 HB2 CYS 10 8.363 -11.178 -12.805 79 HB3 CYS 10 HB3 CYS 10 7.036 -12.329 -12.868 80 H LEU 11 H LEU 11 5.936 -8.478 -15.342 81 HA LEU 11 HA LEU 11 8.626 -8.003 -16.486 82 HB2 LEU 11 HB2 LEU 11 6.091 -8.371 -17.821 83 HB3 LEU 11 HB3 LEU 11 6.712 -6.766 -18.157 84 HG LEU 11 HG LEU 11 8.835 -7.790 -18.940 85 HD11 LEU 11 HD11 LEU 11 8.367 -10.343 -19.545 86 HD12 LEU 11 HD12 LEU 11 7.432 -10.237 -18.054 87 HD13 LEU 11 HD13 LEU 11 9.152 -9.845 -18.046 88 HD21 LEU 11 HD21 LEU 11 7.733 -7.411 -20.847 89 HD22 LEU 11 HD22 LEU 11 6.215 -8.033 -20.203 90 HD23 LEU 11 HD23 LEU 11 7.416 -9.145 -20.858 91 HA PRO 12 HA PRO 12 7.443 -4.293 -14.088 92 HB2 PRO 12 HB2 PRO 12 10.151 -4.058 -13.242 93 HB3 PRO 12 HB3 PRO 12 8.740 -4.478 -12.274 94 HG2 PRO 12 HG2 PRO 12 10.826 -6.169 -12.890 95 HG3 PRO 12 HG3 PRO 12 9.209 -6.673 -12.386 96 HD2 PRO 12 HD2 PRO 12 10.411 -6.608 -15.117 97 HD3 PRO 12 HD3 PRO 12 9.238 -7.750 -14.426 98 H CYS 13 H CYS 13 8.185 -2.161 -14.035 99 HA CYS 13 HA CYS 13 9.954 -1.329 -16.162 100 HB2 CYS 13 HB2 CYS 13 7.453 -1.165 -16.670 101 HB3 CYS 13 HB3 CYS 13 7.419 0.113 -15.463 102 H GLY 14 H GLY 14 9.706 1.363 -15.766 103 HA2 GLY 14 HA2 GLY 14 10.581 3.095 -14.506 104 HA3 GLY 14 HA3 GLY 14 9.809 2.295 -13.162 105 HA PRO 15 HA PRO 15 14.243 2.078 -12.178 106 HB2 PRO 15 HB2 PRO 15 14.095 3.009 -9.715 107 HB3 PRO 15 HB3 PRO 15 13.729 4.095 -11.074 108 HG2 PRO 15 HG2 PRO 15 11.791 2.543 -9.380 109 HG3 PRO 15 HG3 PRO 15 11.813 4.289 -9.710 110 HD2 PRO 15 HD2 PRO 15 10.307 2.554 -11.155 111 HD3 PRO 15 HD3 PRO 15 11.017 4.020 -11.867 112 H GLY 16 H GLY 16 14.554 -0.145 -12.186 113 HA2 GLY 16 HA2 GLY 16 15.182 -2.039 -10.922 114 HA3 GLY 16 HA3 GLY 16 14.124 -1.503 -9.627 115 H GLY 17 H GLY 17 11.772 -1.538 -10.167 116 HA2 GLY 17 HA2 GLY 17 10.692 -3.030 -12.207 117 HA3 GLY 17 HA3 GLY 17 10.935 -4.131 -10.875 118 H LYS 18 H LYS 18 10.238 -0.788 -10.618 119 HA LYS 18 HA LYS 18 8.212 -1.016 -8.765 120 HB2 LYS 18 HB2 LYS 18 9.535 1.046 -10.332 121 HB3 LYS 18 HB3 LYS 18 7.868 1.437 -9.952 122 HG2 LYS 18 HG2 LYS 18 9.800 2.201 -8.401 123 HG3 LYS 18 HG3 LYS 18 8.268 1.644 -7.721 124 HD2 LYS 18 HD2 LYS 18 9.212 -0.565 -7.408 125 HD3 LYS 18 HD3 LYS 18 10.727 -0.048 -8.120 126 HE2 LYS 18 HE2 LYS 18 11.317 0.282 -5.964 127 HE3 LYS 18 HE3 LYS 18 10.463 1.810 -6.188 128 HZ1 LYS 18 HZ1 LYS 18 8.884 1.198 -4.762 129 HZ2 LYS 18 HZ2 LYS 18 9.920 -0.050 -4.283 130 HZ3 LYS 18 HZ3 LYS 18 8.722 -0.344 -5.440 131 H GLY 19 H GLY 19 8.018 0.129 -12.070 132 HA2 GLY 19 HA2 GLY 19 5.218 -0.533 -12.136 133 HA3 GLY 19 HA3 GLY 19 6.096 0.369 -13.345 134 H ARG 20 H ARG 20 5.229 -0.780 -14.903 135 HA ARG 20 HA ARG 20 6.641 -3.072 -15.754 136 HB2 ARG 20 HB2 ARG 20 4.859 -4.651 -15.856 137 HB3 ARG 20 HB3 ARG 20 5.020 -4.076 -14.204 138 HG2 ARG 20 HG2 ARG 20 2.963 -3.283 -14.179 139 HG3 ARG 20 HG3 ARG 20 3.208 -2.491 -15.738 140 HD2 ARG 20 HD2 ARG 20 1.740 -3.992 -16.527 141 HD3 ARG 20 HD3 ARG 20 3.080 -5.123 -16.444 142 HE ARG 20 HE ARG 20 2.228 -5.782 -14.242 143 HH11 ARG 20 HH11 ARG 20 0.067 -4.112 -16.410 144 HH12 ARG 20 HH12 ARG 20 -1.340 -4.791 -15.696 145 HH21 ARG 20 HH21 ARG 20 0.354 -6.638 -13.283 146 HH22 ARG 20 HH22 ARG 20 -1.196 -6.208 -13.921 147 H CYS 21 H CYS 21 5.341 -3.914 -17.887 148 HA CYS 21 HA CYS 21 4.663 -1.440 -19.362 149 HB2 CYS 21 HB2 CYS 21 6.389 -3.632 -19.990 150 HB3 CYS 21 HB3 CYS 21 5.103 -3.547 -21.177 151 H PHE 22 H PHE 22 2.696 -1.273 -20.421 152 HA PHE 22 HA PHE 22 0.909 -3.602 -20.106 153 HB2 PHE 22 HB2 PHE 22 0.295 -0.657 -20.254 154 HB3 PHE 22 HB3 PHE 22 -0.931 -1.897 -20.337 155 HD1 PHE 22 HD1 PHE 22 2.105 -1.766 -18.191 156 HD2 PHE 22 HD2 PHE 22 -2.133 -1.584 -18.398 157 HE1 PHE 22 HE1 PHE 22 1.974 -1.783 -15.755 158 HE2 PHE 22 HE2 PHE 22 -2.240 -1.642 -15.972 159 HZ PHE 22 HZ PHE 22 -0.184 -1.731 -14.626 160 H GLY 23 H GLY 23 2.819 -2.388 -22.330 161 HA2 GLY 23 HA2 GLY 23 2.504 -3.669 -24.474 162 HA3 GLY 23 HA3 GLY 23 0.905 -2.996 -24.514 163 HA PRO 24 HA PRO 24 2.689 0.124 -27.045 164 HB2 PRO 24 HB2 PRO 24 0.799 1.967 -27.106 165 HB3 PRO 24 HB3 PRO 24 0.426 0.291 -27.528 166 HG2 PRO 24 HG2 PRO 24 -0.217 1.793 -25.047 167 HG3 PRO 24 HG3 PRO 24 -1.118 0.522 -25.875 168 HD2 PRO 24 HD2 PRO 24 0.616 0.232 -23.641 169 HD3 PRO 24 HD3 PRO 24 -0.199 -1.062 -24.561 170 H SER 25 H SER 25 4.625 0.892 -26.058 171 HA SER 25 HA SER 25 6.020 2.466 -25.121 172 HB2 SER 25 HB2 SER 25 4.515 3.769 -26.899 173 HB3 SER 25 HB3 SER 25 3.903 4.560 -25.437 174 HG SER 25 HG SER 25 5.984 5.284 -26.695 175 H ILE 26 H ILE 26 3.449 1.354 -23.609 176 HA ILE 26 HA ILE 26 3.342 3.361 -21.530 177 HB ILE 26 HB ILE 26 1.378 2.064 -22.774 178 HG12 ILE 26 HG12 ILE 26 1.103 2.715 -19.861 179 HG13 ILE 26 HG13 ILE 26 1.320 3.976 -21.095 180 HG21 ILE 26 HG21 ILE 26 0.417 0.424 -21.309 181 HG22 ILE 26 HG22 ILE 26 1.820 0.537 -20.231 182 HG23 ILE 26 HG23 ILE 26 1.997 -0.107 -21.875 183 HD11 ILE 26 HD11 ILE 26 -0.853 3.871 -21.596 184 HD12 ILE 26 HD12 ILE 26 -1.073 2.665 -20.332 185 HD13 ILE 26 HD13 ILE 26 -0.691 2.151 -21.986 186 H CYS 27 H CYS 27 3.343 2.903 -19.436 187 HA CYS 27 HA CYS 27 4.328 0.459 -18.355 188 HB2 CYS 27 HB2 CYS 27 5.974 2.768 -18.945 189 HB3 CYS 27 HB3 CYS 27 6.108 2.249 -17.292 190 H CYS 28 H CYS 28 3.876 0.408 -16.108 191 HA CYS 28 HA CYS 28 2.807 2.827 -14.920 192 HB2 CYS 28 HB2 CYS 28 0.997 1.376 -16.065 193 HB3 CYS 28 HB3 CYS 28 1.244 0.278 -14.711 194 H GLY 29 H GLY 29 3.828 3.069 -13.040 195 HA2 GLY 29 HA2 GLY 29 4.663 0.675 -11.644 196 HA3 GLY 29 HA3 GLY 29 5.367 2.227 -11.460 197 H ASP 30 H ASP 30 4.606 0.777 -9.212 198 HA ASP 30 HA ASP 30 1.970 1.473 -8.403 199 HB2 ASP 30 HB2 ASP 30 3.219 -0.469 -7.456 200 HB3 ASP 30 HB3 ASP 30 4.321 0.655 -6.671 201 H GLU 31 H GLU 31 4.891 2.378 -6.627 202 HA GLU 31 HA GLU 31 3.850 4.927 -5.866 203 HB2 GLU 31 HB2 GLU 31 6.105 5.231 -4.893 204 HB3 GLU 31 HB3 GLU 31 5.411 3.683 -4.430 205 HG2 GLU 31 HG2 GLU 31 7.060 2.543 -5.397 206 HG3 GLU 31 HG3 GLU 31 6.946 3.485 -6.890 207 H LEU 32 H LEU 32 4.603 3.880 -8.704 208 HA LEU 32 HA LEU 32 6.370 5.960 -9.657 209 HB2 LEU 32 HB2 LEU 32 6.101 3.242 -9.851 210 HB3 LEU 32 HB3 LEU 32 5.544 3.824 -11.374 211 HG LEU 32 HG LEU 32 8.228 3.756 -10.247 212 HD11 LEU 32 HD11 LEU 32 8.651 2.616 -12.130 213 HD12 LEU 32 HD12 LEU 32 7.573 3.609 -13.111 214 HD13 LEU 32 HD13 LEU 32 6.905 2.350 -12.058 215 HD21 LEU 32 HD21 LEU 32 7.687 5.634 -12.473 216 HD22 LEU 32 HD22 LEU 32 9.116 5.515 -11.474 217 HD23 LEU 32 HD23 LEU 32 7.639 6.221 -10.819 218 H GLY 33 H GLY 33 3.110 4.972 -9.728 219 HA2 GLY 33 HA2 GLY 33 1.285 6.101 -10.633 220 HA3 GLY 33 HA3 GLY 33 2.407 7.117 -11.489 221 H CYS 34 H CYS 34 1.089 6.915 -13.372 222 HA CYS 34 HA CYS 34 1.568 4.377 -14.733 223 HB2 CYS 34 HB2 CYS 34 -0.934 5.309 -13.989 224 HB3 CYS 34 HB3 CYS 34 -0.806 5.769 -15.685 225 H PHE 35 H PHE 35 3.045 4.800 -16.223 226 HA PHE 35 HA PHE 35 3.037 7.408 -17.579 227 HB2 PHE 35 HB2 PHE 35 5.079 5.219 -17.945 228 HB3 PHE 35 HB3 PHE 35 5.251 6.934 -18.283 229 HD1 PHE 35 HD1 PHE 35 4.856 4.481 -15.549 230 HD2 PHE 35 HD2 PHE 35 6.130 8.379 -16.683 231 HE1 PHE 35 HE1 PHE 35 5.861 4.798 -13.332 232 HE2 PHE 35 HE2 PHE 35 7.143 8.695 -14.469 233 HZ PHE 35 HZ PHE 35 6.999 6.920 -12.804 234 H VAL 36 H VAL 36 3.028 7.606 -19.810 235 HA VAL 36 HA VAL 36 2.627 5.233 -21.423 236 HB VAL 36 HB VAL 36 0.725 7.499 -21.902 237 HG11 VAL 36 HG11 VAL 36 -0.334 6.046 -23.330 238 HG12 VAL 36 HG12 VAL 36 0.194 4.627 -22.446 239 HG13 VAL 36 HG13 VAL 36 1.333 5.480 -23.476 240 HG21 VAL 36 HG21 VAL 36 -0.137 5.102 -20.338 241 HG22 VAL 36 HG22 VAL 36 -0.915 6.673 -20.486 242 HG23 VAL 36 HG23 VAL 36 0.536 6.499 -19.506 243 H GLY 37 H GLY 37 4.038 5.358 -22.949 244 HA2 GLY 37 HA2 GLY 37 5.416 6.204 -24.580 245 HA3 GLY 37 HA3 GLY 37 4.268 7.523 -24.749 246 H THR 38 H THR 38 6.266 6.555 -21.984 247 HA THR 38 HA THR 38 7.739 9.099 -22.180 248 HB THR 38 HB THR 38 6.516 7.905 -19.675 249 HG1 THR 38 HG1 THR 38 5.801 10.451 -20.336 250 HG21 THR 38 HG21 THR 38 8.746 9.323 -19.553 251 HG22 THR 38 HG22 THR 38 7.469 9.480 -18.365 252 HG23 THR 38 HG23 THR 38 7.606 10.655 -19.671 253 H ALA 39 H ALA 39 9.695 9.055 -20.608 254 HA ALA 39 HA ALA 39 11.443 7.004 -21.253 255 HB1 ALA 39 HB1 ALA 39 12.851 7.861 -19.406 256 HB2 ALA 39 HB2 ALA 39 11.498 8.853 -18.859 257 HB3 ALA 39 HB3 ALA 39 12.229 9.147 -20.439 258 H GLU 40 H GLU 40 9.530 7.469 -18.341 259 HA GLU 40 HA GLU 40 10.333 5.104 -17.017 260 HB2 GLU 40 HB2 GLU 40 8.460 7.258 -16.555 261 HB3 GLU 40 HB3 GLU 40 7.783 5.710 -16.085 262 HG2 GLU 40 HG2 GLU 40 8.827 6.084 -14.148 263 HG3 GLU 40 HG3 GLU 40 10.257 5.521 -15.009 264 H ALA 41 H ALA 41 9.075 5.066 -19.910 265 HA ALA 41 HA ALA 41 7.430 2.734 -19.443 266 HB1 ALA 41 HB1 ALA 41 6.151 4.886 -19.864 267 HB2 ALA 41 HB2 ALA 41 5.729 3.482 -20.845 268 HB3 ALA 41 HB3 ALA 41 6.763 4.745 -21.507 269 H LEU 42 H LEU 42 10.081 3.819 -20.842 270 HA LEU 42 HA LEU 42 10.002 2.871 -23.466 271 HB2 LEU 42 HB2 LEU 42 12.491 2.890 -23.225 272 HB3 LEU 42 HB3 LEU 42 11.686 4.412 -22.938 273 HG LEU 42 HG LEU 42 12.581 4.571 -20.906 274 HD11 LEU 42 HD11 LEU 42 12.299 1.692 -20.160 275 HD12 LEU 42 HD12 LEU 42 10.878 2.737 -20.202 276 HD13 LEU 42 HD13 LEU 42 12.227 3.123 -19.144 277 HD21 LEU 42 HD21 LEU 42 14.281 2.301 -20.731 278 HD22 LEU 42 HD22 LEU 42 14.692 3.968 -21.131 279 HD23 LEU 42 HD23 LEU 42 14.238 2.843 -22.409 280 H ARG 43 H ARG 43 10.091 1.239 -20.501 281 HA ARG 43 HA ARG 43 11.680 -0.945 -20.849 282 HB2 ARG 43 HB2 ARG 43 9.694 -0.144 -19.107 283 HB3 ARG 43 HB3 ARG 43 9.180 -1.710 -19.698 284 HG2 ARG 43 HG2 ARG 43 10.453 -1.979 -17.678 285 HG3 ARG 43 HG3 ARG 43 11.354 -2.623 -19.035 286 HD2 ARG 43 HD2 ARG 43 13.041 -1.205 -18.717 287 HD3 ARG 43 HD3 ARG 43 11.948 0.171 -18.607 288 HE ARG 43 HE ARG 43 11.723 -0.267 -16.255 289 HH11 ARG 43 HH11 ARG 43 14.264 -2.062 -17.855 290 HH12 ARG 43 HH12 ARG 43 15.127 -2.376 -16.390 291 HH21 ARG 43 HH21 ARG 43 12.865 -0.688 -14.333 292 HH22 ARG 43 HH22 ARG 43 14.336 -1.600 -14.395 293 H CYS 44 H CYS 44 8.912 -0.185 -22.703 294 HA CYS 44 HA CYS 44 8.227 -2.867 -23.320 295 HB2 CYS 44 HB2 CYS 44 7.358 -0.205 -24.216 296 HB3 CYS 44 HB3 CYS 44 6.994 -1.570 -25.260 297 H GLN 45 H GLN 45 10.703 -0.846 -24.316 298 HA GLN 45 HA GLN 45 11.167 -1.688 -26.945 299 HB2 GLN 45 HB2 GLN 45 12.640 -0.356 -24.768 300 HB3 GLN 45 HB3 GLN 45 13.633 -1.112 -26.001 301 HG2 GLN 45 HG2 GLN 45 13.414 0.767 -27.154 302 HG3 GLN 45 HG3 GLN 45 11.745 0.283 -27.451 303 HE21 GLN 45 HE21 GLN 45 13.755 1.915 -25.046 304 HE22 GLN 45 HE22 GLN 45 12.585 3.116 -24.647 305 H GLU 46 H GLU 46 11.305 -3.034 -24.017 306 HA GLU 46 HA GLU 46 13.316 -5.058 -24.272 307 HB2 GLU 46 HB2 GLU 46 11.051 -4.507 -22.399 308 HB3 GLU 46 HB3 GLU 46 11.887 -6.031 -22.319 309 HG2 GLU 46 HG2 GLU 46 14.011 -4.787 -22.007 310 HG3 GLU 46 HG3 GLU 46 13.066 -3.300 -21.935 311 H GLU 47 H GLU 47 9.882 -4.686 -24.733 312 HA GLU 47 HA GLU 47 9.509 -7.416 -25.661 313 HB2 GLU 47 HB2 GLU 47 7.636 -5.066 -25.403 314 HB3 GLU 47 HB3 GLU 47 7.152 -6.619 -26.072 315 HG2 GLU 47 HG2 GLU 47 7.449 -7.712 -24.016 316 HG3 GLU 47 HG3 GLU 47 8.344 -6.355 -23.333 317 H ASN 48 H ASN 48 11.290 -5.538 -27.083 318 HA ASN 48 HA ASN 48 10.049 -5.721 -29.699 319 HB2 ASN 48 HB2 ASN 48 10.516 -3.327 -28.410 320 HB3 ASN 48 HB3 ASN 48 11.922 -3.498 -29.454 321 HD21 ASN 48 HD21 ASN 48 8.439 -3.288 -29.353 322 HD22 ASN 48 HD22 ASN 48 8.224 -2.841 -31.008 323 H TYR 49 H TYR 49 12.611 -6.604 -27.743 324 HA TYR 49 HA TYR 49 14.165 -7.358 -30.112 325 HB2 TYR 49 HB2 TYR 49 15.041 -5.566 -27.959 326 HB3 TYR 49 HB3 TYR 49 16.151 -6.898 -28.289 327 HD1 TYR 49 HD1 TYR 49 15.984 -7.263 -31.149 328 HD2 TYR 49 HD2 TYR 49 15.957 -3.652 -28.898 329 HE1 TYR 49 HE1 TYR 49 16.871 -6.051 -33.094 330 HE2 TYR 49 HE2 TYR 49 16.845 -2.431 -30.839 331 HH TYR 49 HH TYR 49 17.995 -4.063 -33.672 332 H LEU 50 H LEU 50 13.434 -7.884 -26.712 333 HA LEU 50 HA LEU 50 14.613 -10.571 -26.925 334 HB2 LEU 50 HB2 LEU 50 15.507 -9.145 -25.134 335 HB3 LEU 50 HB3 LEU 50 13.894 -8.972 -24.470 336 HG LEU 50 HG LEU 50 14.176 -11.692 -24.534 337 HD11 LEU 50 HD11 LEU 50 16.316 -12.317 -23.789 338 HD12 LEU 50 HD12 LEU 50 16.816 -10.640 -23.570 339 HD13 LEU 50 HD13 LEU 50 16.588 -11.288 -25.195 340 HD21 LEU 50 HD21 LEU 50 14.277 -9.557 -22.541 341 HD22 LEU 50 HD22 LEU 50 15.034 -11.066 -22.028 342 HD23 LEU 50 HD23 LEU 50 13.368 -11.057 -22.577 343 HA PRO 51 HA PRO 51 10.339 -11.965 -27.545 344 HB2 PRO 51 HB2 PRO 51 11.827 -14.389 -26.576 345 HB3 PRO 51 HB3 PRO 51 10.582 -14.271 -27.831 346 HG2 PRO 51 HG2 PRO 51 13.099 -14.377 -28.571 347 HG3 PRO 51 HG3 PRO 51 12.022 -13.181 -29.324 348 HD2 PRO 51 HD2 PRO 51 14.141 -12.779 -27.254 349 HD3 PRO 51 HD3 PRO 51 13.659 -11.721 -28.599 350 H SER 52 H SER 52 8.632 -12.287 -26.192 351 HA SER 52 HA SER 52 8.587 -11.473 -23.613 352 HB2 SER 52 HB2 SER 52 6.812 -13.701 -24.621 353 HB3 SER 52 HB3 SER 52 6.433 -12.502 -23.384 354 HG SER 52 HG SER 52 5.810 -12.289 -25.841 355 HA PRO 53 HA PRO 53 10.575 -15.076 -21.662 356 HB2 PRO 53 HB2 PRO 53 12.345 -13.739 -20.179 357 HB3 PRO 53 HB3 PRO 53 12.570 -13.881 -21.927 358 HG2 PRO 53 HG2 PRO 53 11.720 -11.543 -20.322 359 HG3 PRO 53 HG3 PRO 53 12.568 -11.613 -21.861 360 HD2 PRO 53 HD2 PRO 53 9.777 -11.191 -21.425 361 HD3 PRO 53 HD3 PRO 53 10.635 -11.283 -22.975 362 H CYS 54 H CYS 54 8.060 -13.883 -20.878 363 HA CYS 54 HA CYS 54 7.356 -14.890 -18.583 364 HB2 CYS 54 HB2 CYS 54 9.172 -13.755 -17.376 365 HB3 CYS 54 HB3 CYS 54 8.574 -12.198 -17.933 366 H GLN 55 H GLN 55 5.312 -13.987 -17.717 367 HA GLN 55 HA GLN 55 3.760 -12.728 -19.737 368 HB2 GLN 55 HB2 GLN 55 2.673 -14.240 -18.237 369 HB3 GLN 55 HB3 GLN 55 3.259 -13.380 -16.843 370 HG2 GLN 55 HG2 GLN 55 0.864 -13.057 -17.220 371 HG3 GLN 55 HG3 GLN 55 1.780 -11.562 -17.273 372 HE21 GLN 55 HE21 GLN 55 -0.829 -12.038 -18.338 373 HE22 GLN 55 HE22 GLN 55 -0.728 -11.729 -20.035 374 H SER 56 H SER 56 2.404 -10.738 -19.236 375 HA SER 56 HA SER 56 4.088 -8.665 -18.101 376 HB2 SER 56 HB2 SER 56 3.748 -8.248 -20.433 377 HB3 SER 56 HB3 SER 56 2.018 -8.561 -20.292 378 HG SER 56 HG SER 56 1.930 -6.467 -20.062 379 H GLY 57 H GLY 57 0.607 -9.178 -18.734 380 HA2 GLY 57 HA2 GLY 57 -0.676 -9.500 -16.557 381 HA3 GLY 57 HA3 GLY 57 0.072 -7.980 -16.086 382 H GLN 58 H GLN 58 -2.585 -9.454 -17.479 383 HA GLN 58 HA GLN 58 -3.520 -6.951 -18.711 384 HB2 GLN 58 HB2 GLN 58 -3.792 -9.796 -19.356 385 HB3 GLN 58 HB3 GLN 58 -5.269 -8.860 -19.514 386 HG2 GLN 58 HG2 GLN 58 -2.959 -7.510 -20.624 387 HG3 GLN 58 HG3 GLN 58 -3.262 -9.071 -21.375 388 HE21 GLN 58 HE21 GLN 58 -4.211 -8.656 -23.243 389 HE22 GLN 58 HE22 GLN 58 -5.585 -7.636 -23.472 390 H LYS 59 H LYS 59 -4.372 -5.941 -16.926 391 HA LYS 59 HA LYS 59 -6.260 -7.287 -15.239 392 HB2 LYS 59 HB2 LYS 59 -6.044 -5.238 -13.856 393 HB3 LYS 59 HB3 LYS 59 -4.563 -6.153 -14.120 394 HG2 LYS 59 HG2 LYS 59 -4.800 -4.224 -16.192 395 HG3 LYS 59 HG3 LYS 59 -5.018 -3.453 -14.644 396 HD2 LYS 59 HD2 LYS 59 -2.842 -5.377 -14.736 397 HD3 LYS 59 HD3 LYS 59 -2.638 -3.945 -15.743 398 HE2 LYS 59 HE2 LYS 59 -1.971 -2.840 -13.933 399 HE3 LYS 59 HE3 LYS 59 -3.600 -3.009 -13.286 400 HZ1 LYS 59 HZ1 LYS 59 -2.119 -5.393 -12.894 401 HZ2 LYS 59 HZ2 LYS 59 -2.860 -4.403 -11.747 402 HZ3 LYS 59 HZ3 LYS 59 -1.279 -4.077 -12.248 403 HA PRO 60 HA PRO 60 -8.741 -4.363 -18.284 404 HB2 PRO 60 HB2 PRO 60 -10.168 -6.934 -18.660 405 HB3 PRO 60 HB3 PRO 60 -9.925 -5.607 -19.800 406 HG2 PRO 60 HG2 PRO 60 -8.435 -7.824 -19.921 407 HG3 PRO 60 HG3 PRO 60 -7.746 -6.226 -20.266 408 HD2 PRO 60 HD2 PRO 60 -7.362 -7.979 -17.906 409 HD3 PRO 60 HD3 PRO 60 -6.296 -6.742 -18.584 410 H CYS 61 H CYS 61 -10.418 -3.171 -17.485 411 HA CYS 61 HA CYS 61 -12.383 -4.483 -15.863 412 HB2 CYS 61 HB2 CYS 61 -12.092 -2.377 -14.285 413 HB3 CYS 61 HB3 CYS 61 -11.239 -3.880 -14.004 414 H GLY 62 H GLY 62 -14.244 -3.489 -15.643 415 HA2 GLY 62 HA2 GLY 62 -15.334 -2.009 -17.640 416 HA3 GLY 62 HA3 GLY 62 -15.995 -2.056 -16.017 417 H SER 63 H SER 63 -12.973 -0.603 -15.813 418 HA SER 63 HA SER 63 -14.236 1.972 -15.651 419 HB2 SER 63 HB2 SER 63 -12.500 1.100 -13.974 420 HB3 SER 63 HB3 SER 63 -11.342 1.442 -15.233 421 HG SER 63 HG SER 63 -11.849 3.589 -15.149 422 H GLY 64 H GLY 64 -14.276 0.857 -18.153 423 HA2 GLY 64 HA2 GLY 64 -13.849 1.258 -20.342 424 HA3 GLY 64 HA3 GLY 64 -13.412 2.863 -19.817 425 H GLY 65 H GLY 65 -11.962 -0.322 -19.343 426 HA2 GLY 65 HA2 GLY 65 -9.900 -0.352 -20.986 427 HA3 GLY 65 HA3 GLY 65 -9.376 0.764 -19.769 428 H ARG 66 H ARG 66 -7.791 -0.503 -19.026 429 HA ARG 66 HA ARG 66 -8.641 -2.810 -17.480 430 HB2 ARG 66 HB2 ARG 66 -5.830 -2.789 -18.411 431 HB3 ARG 66 HB3 ARG 66 -6.879 -4.145 -18.074 432 HG2 ARG 66 HG2 ARG 66 -6.776 -2.455 -20.553 433 HG3 ARG 66 HG3 ARG 66 -6.454 -4.178 -20.392 434 HD2 ARG 66 HD2 ARG 66 -8.858 -4.403 -19.711 435 HD3 ARG 66 HD3 ARG 66 -9.096 -2.770 -20.235 436 HE ARG 66 HE ARG 66 -8.802 -5.098 -21.865 437 HH11 ARG 66 HH11 ARG 66 -8.504 -1.626 -21.722 438 HH12 ARG 66 HH12 ARG 66 -8.657 -1.419 -23.434 439 HH21 ARG 66 HH21 ARG 66 -9.003 -4.829 -24.114 440 HH22 ARG 66 HH22 ARG 66 -8.940 -3.236 -24.793 441 H CYS 67 H CYS 67 -7.263 -3.226 -15.517 442 HA CYS 67 HA CYS 67 -6.821 -0.823 -14.168 443 HB2 CYS 67 HB2 CYS 67 -7.208 -3.098 -13.110 444 HB3 CYS 67 HB3 CYS 67 -5.527 -3.431 -13.416 445 H ALA 68 H ALA 68 -4.589 -0.331 -13.169 446 HA ALA 68 HA ALA 68 -2.381 -0.911 -14.803 447 HB1 ALA 68 HB1 ALA 68 -2.976 0.744 -16.272 448 HB2 ALA 68 HB2 ALA 68 -2.082 1.676 -15.092 449 HB3 ALA 68 HB3 ALA 68 -3.826 1.652 -15.034 450 H ALA 69 H ALA 69 -2.610 2.179 -13.065 451 HA ALA 69 HA ALA 69 -0.644 1.420 -11.273 452 HB1 ALA 69 HB1 ALA 69 -1.794 3.944 -10.696 453 HB2 ALA 69 HB2 ALA 69 -1.677 3.766 -12.442 454 HB3 ALA 69 HB3 ALA 69 -0.243 3.572 -11.439 455 H ALA 70 H ALA 70 -1.520 3.177 -9.216 456 HA ALA 70 HA ALA 70 -2.677 1.393 -7.348 457 HB1 ALA 70 HB1 ALA 70 -3.365 4.085 -6.662 458 HB2 ALA 70 HB2 ALA 70 -1.707 4.079 -7.284 459 HB3 ALA 70 HB3 ALA 70 -2.132 3.051 -5.921 460 H GLY 71 H GLY 71 -4.670 0.565 -8.199 461 HA2 GLY 71 HA2 GLY 71 -6.889 0.670 -8.614 462 HA3 GLY 71 HA3 GLY 71 -6.880 2.169 -7.739 463 H ILE 72 H ILE 72 -5.231 1.494 -10.774 464 HA ILE 72 HA ILE 72 -6.929 3.479 -12.026 465 HB ILE 72 HB ILE 72 -4.011 3.043 -12.347 466 HG12 ILE 72 HG12 ILE 72 -5.942 5.259 -12.145 467 HG13 ILE 72 HG13 ILE 72 -4.414 5.073 -11.333 468 HG21 ILE 72 HG21 ILE 72 -4.924 2.474 -14.585 469 HG22 ILE 72 HG22 ILE 72 -3.988 3.961 -14.601 470 HG23 ILE 72 HG23 ILE 72 -5.749 4.032 -14.620 471 HD11 ILE 72 HD11 ILE 72 -3.264 5.744 -13.370 472 HD12 ILE 72 HD12 ILE 72 -4.448 6.958 -12.884 473 HD13 ILE 72 HD13 ILE 72 -4.824 5.859 -14.221 474 H CYS 73 H CYS 73 -7.686 3.157 -14.065 475 HA CYS 73 HA CYS 73 -7.272 0.526 -15.111 476 HB2 CYS 73 HB2 CYS 73 -9.474 0.666 -13.921 477 HB3 CYS 73 HB3 CYS 73 -10.008 1.791 -15.127 478 H CYS 74 H CYS 74 -6.055 0.933 -16.581 479 HA CYS 74 HA CYS 74 -6.337 3.254 -18.348 480 HB2 CYS 74 HB2 CYS 74 -4.349 3.130 -16.932 481 HB3 CYS 74 HB3 CYS 74 -4.005 1.526 -17.516 482 H SER 75 H SER 75 -5.855 2.969 -20.572 483 HA SER 75 HA SER 75 -5.983 0.195 -21.453 484 HB2 SER 75 HB2 SER 75 -6.846 2.759 -22.843 485 HB3 SER 75 HB3 SER 75 -7.005 1.151 -23.527 486 HG SER 75 HG SER 75 -8.219 0.831 -21.365 487 HA PRO 76 HA PRO 76 -2.219 1.624 -23.570 488 HB2 PRO 76 HB2 PRO 76 -2.577 2.049 -26.257 489 HB3 PRO 76 HB3 PRO 76 -2.559 0.444 -25.525 490 HG2 PRO 76 HG2 PRO 76 -4.763 1.820 -26.754 491 HG3 PRO 76 HG3 PRO 76 -4.689 0.167 -26.126 492 HD2 PRO 76 HD2 PRO 76 -5.789 2.579 -24.864 493 HD3 PRO 76 HD3 PRO 76 -6.070 0.869 -24.504 494 H ASP 77 H ASP 77 -4.900 3.585 -24.633 495 HA ASP 77 HA ASP 77 -3.636 5.845 -25.586 496 HB2 ASP 77 HB2 ASP 77 -6.133 4.911 -25.683 497 HB3 ASP 77 HB3 ASP 77 -6.353 6.099 -24.397 498 H GLY 78 H GLY 78 -5.461 5.589 -22.546 499 HA2 GLY 78 HA2 GLY 78 -3.427 7.076 -21.174 500 HA3 GLY 78 HA3 GLY 78 -4.903 7.980 -21.333 501 H CYS 79 H CYS 79 -3.687 7.138 -18.805 502 HA CYS 79 HA CYS 79 -5.637 5.143 -17.934 503 HB2 CYS 79 HB2 CYS 79 -3.325 5.873 -16.246 504 HB3 CYS 79 HB3 CYS 79 -4.108 4.333 -16.459 505 H GLU 80 H GLU 80 -6.837 5.403 -16.245 506 HA GLU 80 HA GLU 80 -6.565 7.652 -14.462 507 HB2 GLU 80 HB2 GLU 80 -8.924 8.264 -14.712 508 HB3 GLU 80 HB3 GLU 80 -8.034 8.456 -16.220 509 HG2 GLU 80 HG2 GLU 80 -9.539 7.195 -17.233 510 HG3 GLU 80 HG3 GLU 80 -9.061 5.833 -16.221 511 H GLU 81 H GLU 81 -6.961 7.110 -12.384 512 HA GLU 81 HA GLU 81 -7.162 4.612 -11.503 513 HB2 GLU 81 HB2 GLU 81 -8.018 5.674 -9.373 514 HB3 GLU 81 HB3 GLU 81 -6.458 6.168 -10.001 515 HG2 GLU 81 HG2 GLU 81 -7.132 8.239 -10.474 516 HG3 GLU 81 HG3 GLU 81 -8.758 7.716 -10.859 517 H ASP 82 H ASP 82 -8.484 3.050 -11.385 518 HA ASP 82 HA ASP 82 -11.320 3.481 -11.693 519 HB2 ASP 82 HB2 ASP 82 -11.281 0.945 -11.997 520 HB3 ASP 82 HB3 ASP 82 -10.468 1.890 -13.231 521 HA PRO 83 HA PRO 83 -11.695 2.979 -7.234 522 HB2 PRO 83 HB2 PRO 83 -14.471 2.457 -8.198 523 HB3 PRO 83 HB3 PRO 83 -13.971 3.504 -6.862 524 HG2 PRO 83 HG2 PRO 83 -14.696 4.577 -9.152 525 HG3 PRO 83 HG3 PRO 83 -13.256 5.161 -8.321 526 HD2 PRO 83 HD2 PRO 83 -13.451 3.334 -10.679 527 HD3 PRO 83 HD3 PRO 83 -12.293 4.649 -10.399 528 H ALA 84 H ALA 84 -12.436 1.059 -9.731 529 HA ALA 84 HA ALA 84 -13.298 -1.306 -8.510 530 HB1 ALA 84 HB1 ALA 84 -12.782 -0.258 -11.101 531 HB2 ALA 84 HB2 ALA 84 -13.688 -1.718 -10.678 532 HB3 ALA 84 HB3 ALA 84 -11.947 -1.810 -10.956 533 H CYS 85 H CYS 85 -10.259 0.146 -9.320 534 HA CYS 85 HA CYS 85 -8.852 -2.159 -8.368 535 HB2 CYS 85 HB2 CYS 85 -8.295 -0.323 -10.442 536 HB3 CYS 85 HB3 CYS 85 -6.949 -0.381 -9.324 537 H ASP 86 H ASP 86 -9.117 1.350 -7.309 538 HA ASP 86 HA ASP 86 -8.270 0.639 -4.704 539 HB2 ASP 86 HB2 ASP 86 -6.207 0.047 -6.057 540 HB3 ASP 86 HB3 ASP 86 -5.976 1.783 -6.223 541 HA PRO 87 HA PRO 87 -7.587 5.342 -4.636 542 HB2 PRO 87 HB2 PRO 87 -7.662 6.586 -7.137 543 HB3 PRO 87 HB3 PRO 87 -6.237 6.023 -6.323 544 HG2 PRO 87 HG2 PRO 87 -7.136 4.960 -8.675 545 HG3 PRO 87 HG3 PRO 87 -6.151 4.093 -7.505 546 HD2 PRO 87 HD2 PRO 87 -9.146 4.112 -7.707 547 HD3 PRO 87 HD3 PRO 87 -8.082 2.731 -7.709 548 H GLU 88 H GLU 88 -9.460 5.447 -7.532 549 HA GLU 88 HA GLU 88 -11.403 7.195 -6.506 550 HB2 GLU 88 HB2 GLU 88 -10.675 6.679 -8.963 551 HB3 GLU 88 HB3 GLU 88 -11.748 5.314 -8.812 552 HG2 GLU 88 HG2 GLU 88 -13.166 6.844 -9.763 553 HG3 GLU 88 HG3 GLU 88 -13.482 7.132 -8.051 554 H ALA 89 H ALA 89 -10.529 4.094 -5.973 555 HA ALA 89 HA ALA 89 -12.707 2.469 -5.626 556 HB1 ALA 89 HB1 ALA 89 -10.404 1.738 -5.483 557 HB2 ALA 89 HB2 ALA 89 -11.242 1.339 -3.978 558 HB3 ALA 89 HB3 ALA 89 -10.187 2.756 -4.059 559 H ALA 90 H ALA 90 -11.362 2.869 -2.714 560 HA ALA 90 HA ALA 90 -13.710 3.535 -1.332 561 HB1 ALA 90 HB1 ALA 90 -12.035 3.904 0.537 562 HB2 ALA 90 HB2 ALA 90 -10.758 3.659 -0.667 563 HB3 ALA 90 HB3 ALA 90 -11.879 2.352 -0.279 564 H PHE 91 H PHE 91 -12.353 5.543 0.328 565 HA PHE 91 HA PHE 91 -12.980 7.947 -1.197 566 HB2 PHE 91 HB2 PHE 91 -12.340 9.131 0.948 567 HB3 PHE 91 HB3 PHE 91 -13.677 8.000 1.114 568 HD1 PHE 91 HD1 PHE 91 -13.409 5.926 2.340 569 HD2 PHE 91 HD2 PHE 91 -10.208 8.706 1.992 570 HE1 PHE 91 HE1 PHE 91 -12.224 4.783 4.167 571 HE2 PHE 91 HE2 PHE 91 -9.016 7.567 3.816 572 HZ PHE 91 HZ PHE 91 -10.023 5.604 4.906 573 H SER 92 H SER 92 -10.791 6.161 -1.977 574 HA SER 92 HA SER 92 -8.332 7.401 -1.239 575 HB2 SER 92 HB2 SER 92 -8.254 5.044 -1.591 576 HB3 SER 92 HB3 SER 92 -9.033 5.153 -3.178 577 HG SER 92 HG SER 92 -6.457 5.177 -2.641 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -0.714 -20.154 -20.817 2 H2 ALA 1 H2 ALA 1 0.601 -20.222 -21.915 3 H3 ALA 1 H3 ALA 1 -0.871 -19.477 -22.385 4 HA ALA 1 HA ALA 1 1.308 -18.251 -21.399 5 HB1 ALA 1 HB1 ALA 1 -0.735 -16.487 -20.900 6 HB2 ALA 1 HB2 ALA 1 -1.452 -17.594 -22.072 7 HB3 ALA 1 HB3 ALA 1 0.044 -16.746 -22.462 8 H VAL 2 H VAL 2 1.900 -19.422 -19.435 9 HA VAL 2 HA VAL 2 0.302 -18.720 -17.074 10 HB VAL 2 HB VAL 2 2.689 -20.558 -17.073 11 HG11 VAL 2 HG11 VAL 2 2.215 -20.824 -14.914 12 HG12 VAL 2 HG12 VAL 2 0.550 -21.261 -15.293 13 HG13 VAL 2 HG13 VAL 2 0.986 -19.570 -15.063 14 HG21 VAL 2 HG21 VAL 2 0.358 -21.022 -18.543 15 HG22 VAL 2 HG22 VAL 2 0.168 -21.958 -17.061 16 HG23 VAL 2 HG23 VAL 2 1.583 -22.204 -18.083 17 H LEU 3 H LEU 3 1.825 -18.387 -15.047 18 HA LEU 3 HA LEU 3 3.068 -15.945 -15.335 19 HB2 LEU 3 HB2 LEU 3 2.562 -17.897 -13.215 20 HB3 LEU 3 HB3 LEU 3 4.005 -16.942 -12.956 21 HG LEU 3 HG LEU 3 2.617 -15.508 -11.934 22 HD11 LEU 3 HD11 LEU 3 3.213 -14.403 -14.056 23 HD12 LEU 3 HD12 LEU 3 1.668 -13.840 -13.383 24 HD13 LEU 3 HD13 LEU 3 1.690 -14.994 -14.719 25 HD21 LEU 3 HD21 LEU 3 0.747 -17.400 -12.611 26 HD22 LEU 3 HD22 LEU 3 0.118 -15.945 -13.385 27 HD23 LEU 3 HD23 LEU 3 0.436 -15.954 -11.651 28 H ASP 4 H ASP 4 5.221 -15.694 -14.026 29 HA ASP 4 HA ASP 4 7.233 -16.926 -15.610 30 HB2 ASP 4 HB2 ASP 4 7.386 -14.518 -15.178 31 HB3 ASP 4 HB3 ASP 4 7.442 -14.846 -13.452 32 H LEU 5 H LEU 5 7.818 -16.170 -12.298 33 HA LEU 5 HA LEU 5 8.580 -18.839 -11.749 34 HB2 LEU 5 HB2 LEU 5 9.376 -18.103 -9.617 35 HB3 LEU 5 HB3 LEU 5 9.892 -16.972 -10.827 36 HG LEU 5 HG LEU 5 9.338 -15.548 -9.161 37 HD11 LEU 5 HD11 LEU 5 7.070 -15.807 -10.971 38 HD12 LEU 5 HD12 LEU 5 8.117 -14.455 -10.574 39 HD13 LEU 5 HD13 LEU 5 6.823 -14.894 -9.481 40 HD21 LEU 5 HD21 LEU 5 8.304 -17.640 -7.868 41 HD22 LEU 5 HD22 LEU 5 6.845 -16.708 -8.178 42 HD23 LEU 5 HD23 LEU 5 8.187 -15.977 -7.308 43 H ASP 6 H ASP 6 6.615 -16.764 -9.845 44 HA ASP 6 HA ASP 6 4.376 -18.468 -9.832 45 HB2 ASP 6 HB2 ASP 6 6.354 -18.696 -7.869 46 HB3 ASP 6 HB3 ASP 6 5.019 -17.838 -7.109 47 H VAL 7 H VAL 7 5.898 -15.654 -8.348 48 HA VAL 7 HA VAL 7 3.322 -14.352 -8.183 49 HB VAL 7 HB VAL 7 4.433 -12.765 -6.665 50 HG11 VAL 7 HG11 VAL 7 3.331 -14.395 -5.490 51 HG12 VAL 7 HG12 VAL 7 4.976 -14.622 -4.901 52 HG13 VAL 7 HG13 VAL 7 4.329 -15.696 -6.140 53 HG21 VAL 7 HG21 VAL 7 6.661 -12.597 -6.793 54 HG22 VAL 7 HG22 VAL 7 6.813 -14.139 -7.633 55 HG23 VAL 7 HG23 VAL 7 6.731 -14.097 -5.871 56 H ARG 8 H ARG 8 5.791 -14.300 -10.395 57 HA ARG 8 HA ARG 8 6.044 -11.510 -10.739 58 HB2 ARG 8 HB2 ARG 8 7.066 -13.936 -12.095 59 HB3 ARG 8 HB3 ARG 8 7.162 -12.410 -12.927 60 HG2 ARG 8 HG2 ARG 8 8.447 -11.449 -11.112 61 HG3 ARG 8 HG3 ARG 8 8.280 -12.958 -10.203 62 HD2 ARG 8 HD2 ARG 8 9.730 -14.101 -11.610 63 HD3 ARG 8 HD3 ARG 8 9.470 -12.987 -12.945 64 HE ARG 8 HE ARG 8 11.026 -11.530 -12.026 65 HH11 ARG 8 HH11 ARG 8 10.531 -14.285 -9.936 66 HH12 ARG 8 HH12 ARG 8 11.928 -13.956 -8.969 67 HH21 ARG 8 HH21 ARG 8 12.855 -11.099 -10.750 68 HH22 ARG 8 HH22 ARG 8 13.244 -12.150 -9.429 69 H THR 9 H THR 9 5.667 -10.521 -12.906 70 HA THR 9 HA THR 9 3.523 -11.590 -14.452 71 HB THR 9 HB THR 9 2.870 -8.893 -13.854 72 HG1 THR 9 HG1 THR 9 2.630 -10.570 -11.615 73 HG21 THR 9 HG21 THR 9 0.769 -10.190 -12.916 74 HG22 THR 9 HG22 THR 9 1.496 -11.498 -13.849 75 HG23 THR 9 HG23 THR 9 1.055 -9.987 -14.644 76 H CYS 10 H CYS 10 5.088 -11.617 -16.102 77 HA CYS 10 HA CYS 10 6.165 -10.799 -17.916 78 HB2 CYS 10 HB2 CYS 10 4.185 -8.649 -17.351 79 HB3 CYS 10 HB3 CYS 10 5.412 -8.370 -18.580 80 H LEU 11 H LEU 11 7.242 -8.480 -18.697 81 HA LEU 11 HA LEU 11 9.475 -8.298 -16.914 82 HB2 LEU 11 HB2 LEU 11 9.531 -8.276 -19.464 83 HB3 LEU 11 HB3 LEU 11 9.019 -6.601 -19.352 84 HG LEU 11 HG LEU 11 11.151 -6.565 -17.672 85 HD11 LEU 11 HD11 LEU 11 11.457 -9.034 -18.510 86 HD12 LEU 11 HD12 LEU 11 12.846 -7.974 -18.273 87 HD13 LEU 11 HD13 LEU 11 12.205 -8.238 -19.895 88 HD21 LEU 11 HD21 LEU 11 11.357 -4.900 -19.144 89 HD22 LEU 11 HD22 LEU 11 10.607 -5.844 -20.422 90 HD23 LEU 11 HD23 LEU 11 12.324 -6.036 -20.090 91 HA PRO 12 HA PRO 12 7.976 -4.785 -14.680 92 HB2 PRO 12 HB2 PRO 12 10.612 -4.255 -13.719 93 HB3 PRO 12 HB3 PRO 12 9.244 -4.928 -12.839 94 HG2 PRO 12 HG2 PRO 12 11.545 -6.282 -13.529 95 HG3 PRO 12 HG3 PRO 12 10.004 -7.026 -13.102 96 HD2 PRO 12 HD2 PRO 12 11.265 -6.673 -15.754 97 HD3 PRO 12 HD3 PRO 12 10.126 -7.915 -15.201 98 H CYS 13 H CYS 13 8.741 -2.530 -14.172 99 HA CYS 13 HA CYS 13 10.296 -1.323 -16.268 100 HB2 CYS 13 HB2 CYS 13 7.786 -1.352 -16.777 101 HB3 CYS 13 HB3 CYS 13 7.642 -0.177 -15.474 102 H GLY 14 H GLY 14 9.742 1.287 -15.644 103 HA2 GLY 14 HA2 GLY 14 10.435 2.999 -14.258 104 HA3 GLY 14 HA3 GLY 14 9.880 1.967 -12.971 105 HA PRO 15 HA PRO 15 14.342 2.297 -12.277 106 HB2 PRO 15 HB2 PRO 15 14.253 2.946 -9.716 107 HB3 PRO 15 HB3 PRO 15 13.692 4.113 -10.934 108 HG2 PRO 15 HG2 PRO 15 12.041 2.206 -9.303 109 HG3 PRO 15 HG3 PRO 15 11.846 3.962 -9.476 110 HD2 PRO 15 HD2 PRO 15 10.453 2.188 -10.985 111 HD3 PRO 15 HD3 PRO 15 10.953 3.780 -11.601 112 H GLY 16 H GLY 16 14.626 0.044 -12.671 113 HA2 GLY 16 HA2 GLY 16 15.690 -1.829 -11.590 114 HA3 GLY 16 HA3 GLY 16 14.629 -1.583 -10.213 115 H GLY 17 H GLY 17 12.306 -1.929 -10.626 116 HA2 GLY 17 HA2 GLY 17 11.310 -3.264 -12.817 117 HA3 GLY 17 HA3 GLY 17 11.795 -4.480 -11.669 118 H LYS 18 H LYS 18 10.655 -1.369 -10.829 119 HA LYS 18 HA LYS 18 8.761 -2.201 -9.024 120 HB2 LYS 18 HB2 LYS 18 9.727 0.276 -10.167 121 HB3 LYS 18 HB3 LYS 18 8.038 0.337 -9.694 122 HG2 LYS 18 HG2 LYS 18 9.907 1.054 -8.047 123 HG3 LYS 18 HG3 LYS 18 8.494 0.162 -7.476 124 HD2 LYS 18 HD2 LYS 18 9.751 -1.909 -7.630 125 HD3 LYS 18 HD3 LYS 18 11.150 -1.046 -8.226 126 HE2 LYS 18 HE2 LYS 18 11.769 -1.047 -6.058 127 HE3 LYS 18 HE3 LYS 18 10.661 0.320 -5.947 128 HZ1 LYS 18 HZ1 LYS 18 9.371 -2.238 -5.658 129 HZ2 LYS 18 HZ2 LYS 18 9.242 -0.848 -4.702 130 HZ3 LYS 18 HZ3 LYS 18 10.520 -1.929 -4.455 131 H GLY 19 H GLY 19 8.245 -0.543 -12.074 132 HA2 GLY 19 HA2 GLY 19 5.558 -1.504 -12.146 133 HA3 GLY 19 HA3 GLY 19 6.283 -0.379 -13.259 134 H ARG 20 H ARG 20 5.481 -1.387 -14.936 135 HA ARG 20 HA ARG 20 7.054 -3.421 -16.112 136 HB2 ARG 20 HB2 ARG 20 5.414 -5.138 -16.362 137 HB3 ARG 20 HB3 ARG 20 5.569 -4.750 -14.653 138 HG2 ARG 20 HG2 ARG 20 3.450 -4.160 -14.494 139 HG3 ARG 20 HG3 ARG 20 3.580 -3.154 -15.938 140 HD2 ARG 20 HD2 ARG 20 2.159 -4.650 -16.830 141 HD3 ARG 20 HD3 ARG 20 3.618 -5.619 -17.039 142 HE ARG 20 HE ARG 20 2.918 -7.019 -15.347 143 HH11 ARG 20 HH11 ARG 20 0.836 -4.255 -15.508 144 HH12 ARG 20 HH12 ARG 20 -0.347 -4.905 -14.427 145 HH21 ARG 20 HH21 ARG 20 1.343 -7.907 -13.958 146 HH22 ARG 20 HH22 ARG 20 -0.067 -6.986 -13.565 147 H CYS 21 H CYS 21 5.774 -4.138 -18.274 148 HA CYS 21 HA CYS 21 4.881 -1.606 -19.496 149 HB2 CYS 21 HB2 CYS 21 6.548 -3.779 -20.388 150 HB3 CYS 21 HB3 CYS 21 5.226 -3.506 -21.501 151 H PHE 22 H PHE 22 2.796 -1.423 -20.337 152 HA PHE 22 HA PHE 22 1.119 -3.812 -19.988 153 HB2 PHE 22 HB2 PHE 22 0.437 -0.874 -19.986 154 HB3 PHE 22 HB3 PHE 22 -0.779 -2.138 -20.031 155 HD1 PHE 22 HD1 PHE 22 2.411 -2.117 -18.122 156 HD2 PHE 22 HD2 PHE 22 -1.830 -1.875 -17.977 157 HE1 PHE 22 HE1 PHE 22 2.471 -2.253 -15.686 158 HE2 PHE 22 HE2 PHE 22 -1.727 -2.069 -15.534 159 HZ PHE 22 HZ PHE 22 0.409 -2.245 -14.394 160 H GLY 23 H GLY 23 2.814 -2.671 -22.355 161 HA2 GLY 23 HA2 GLY 23 2.327 -3.869 -24.477 162 HA3 GLY 23 HA3 GLY 23 0.700 -3.257 -24.348 163 HA PRO 24 HA PRO 24 2.086 -0.029 -26.982 164 HB2 PRO 24 HB2 PRO 24 0.215 1.832 -26.693 165 HB3 PRO 24 HB3 PRO 24 -0.207 0.185 -27.174 166 HG2 PRO 24 HG2 PRO 24 -0.560 1.528 -24.552 167 HG3 PRO 24 HG3 PRO 24 -1.547 0.282 -25.324 168 HD2 PRO 24 HD2 PRO 24 0.452 -0.069 -23.335 169 HD3 PRO 24 HD3 PRO 24 -0.444 -1.336 -24.215 170 H SER 25 H SER 25 4.152 0.627 -26.176 171 HA SER 25 HA SER 25 5.696 2.093 -25.292 172 HB2 SER 25 HB2 SER 25 4.173 3.458 -27.032 173 HB3 SER 25 HB3 SER 25 3.747 4.341 -25.556 174 HG SER 25 HG SER 25 6.447 3.903 -25.855 175 H ILE 26 H ILE 26 3.398 1.032 -23.549 176 HA ILE 26 HA ILE 26 3.375 3.145 -21.548 177 HB ILE 26 HB ILE 26 1.328 1.849 -22.624 178 HG12 ILE 26 HG12 ILE 26 1.241 2.500 -19.705 179 HG13 ILE 26 HG13 ILE 26 1.426 3.768 -20.948 180 HG21 ILE 26 HG21 ILE 26 1.990 -0.321 -21.768 181 HG22 ILE 26 HG22 ILE 26 0.457 0.217 -21.085 182 HG23 ILE 26 HG23 ILE 26 1.939 0.324 -20.116 183 HD11 ILE 26 HD11 ILE 26 -0.950 2.547 -20.048 184 HD12 ILE 26 HD12 ILE 26 -0.683 1.964 -21.700 185 HD13 ILE 26 HD13 ILE 26 -0.772 3.704 -21.364 186 H CYS 27 H CYS 27 3.441 2.666 -19.393 187 HA CYS 27 HA CYS 27 4.573 0.220 -18.431 188 HB2 CYS 27 HB2 CYS 27 6.084 2.615 -18.972 189 HB3 CYS 27 HB3 CYS 27 6.229 2.115 -17.311 190 H CYS 28 H CYS 28 4.172 -0.004 -16.221 191 HA CYS 28 HA CYS 28 2.998 2.247 -14.835 192 HB2 CYS 28 HB2 CYS 28 1.279 0.717 -16.098 193 HB3 CYS 28 HB3 CYS 28 1.562 -0.358 -14.738 194 H GLY 29 H GLY 29 4.104 2.375 -12.984 195 HA2 GLY 29 HA2 GLY 29 5.035 -0.077 -11.797 196 HA3 GLY 29 HA3 GLY 29 5.621 1.493 -11.442 197 H ASP 30 H ASP 30 4.688 -0.472 -9.484 198 HA ASP 30 HA ASP 30 2.059 0.203 -8.715 199 HB2 ASP 30 HB2 ASP 30 4.133 -1.552 -7.774 200 HB3 ASP 30 HB3 ASP 30 3.465 -0.655 -6.414 201 H GLU 31 H GLU 31 4.999 0.785 -6.869 202 HA GLU 31 HA GLU 31 4.000 3.132 -5.596 203 HB2 GLU 31 HB2 GLU 31 6.311 3.256 -4.695 204 HB3 GLU 31 HB3 GLU 31 5.609 1.655 -4.474 205 HG2 GLU 31 HG2 GLU 31 7.145 0.678 -5.771 206 HG3 GLU 31 HG3 GLU 31 7.038 1.937 -7.017 207 H LEU 32 H LEU 32 4.927 2.462 -8.596 208 HA LEU 32 HA LEU 32 6.526 4.809 -9.142 209 HB2 LEU 32 HB2 LEU 32 6.831 2.246 -9.611 210 HB3 LEU 32 HB3 LEU 32 5.905 2.662 -11.005 211 HG LEU 32 HG LEU 32 8.680 3.073 -10.457 212 HD11 LEU 32 HD11 LEU 32 7.494 3.323 -13.126 213 HD12 LEU 32 HD12 LEU 32 7.127 1.814 -12.249 214 HD13 LEU 32 HD13 LEU 32 8.807 2.305 -12.538 215 HD21 LEU 32 HD21 LEU 32 7.683 5.440 -10.361 216 HD22 LEU 32 HD22 LEU 32 7.315 5.163 -12.055 217 HD23 LEU 32 HD23 LEU 32 8.986 5.139 -11.516 218 H GLY 33 H GLY 33 3.299 3.929 -9.414 219 HA2 GLY 33 HA2 GLY 33 1.549 5.141 -10.363 220 HA3 GLY 33 HA3 GLY 33 2.748 6.175 -11.071 221 H CYS 34 H CYS 34 1.517 6.208 -13.014 222 HA CYS 34 HA CYS 34 1.960 3.817 -14.621 223 HB2 CYS 34 HB2 CYS 34 -0.515 4.519 -13.691 224 HB3 CYS 34 HB3 CYS 34 -0.490 5.262 -15.290 225 H PHE 35 H PHE 35 3.335 4.427 -16.147 226 HA PHE 35 HA PHE 35 3.101 7.127 -17.303 227 HB2 PHE 35 HB2 PHE 35 5.356 5.201 -17.826 228 HB3 PHE 35 HB3 PHE 35 5.351 6.951 -17.990 229 HD1 PHE 35 HD1 PHE 35 5.003 4.283 -15.433 230 HD2 PHE 35 HD2 PHE 35 6.287 8.237 -16.335 231 HE1 PHE 35 HE1 PHE 35 5.945 4.495 -13.184 232 HE2 PHE 35 HE2 PHE 35 7.244 8.443 -14.086 233 HZ PHE 35 HZ PHE 35 7.067 6.587 -12.518 234 H VAL 36 H VAL 36 2.988 7.432 -19.521 235 HA VAL 36 HA VAL 36 2.747 5.066 -21.204 236 HB VAL 36 HB VAL 36 0.783 7.305 -21.576 237 HG11 VAL 36 HG11 VAL 36 -0.167 5.972 -23.154 238 HG12 VAL 36 HG12 VAL 36 0.345 4.473 -22.380 239 HG13 VAL 36 HG13 VAL 36 1.510 5.438 -23.295 240 HG21 VAL 36 HG21 VAL 36 0.046 4.752 -20.195 241 HG22 VAL 36 HG22 VAL 36 -0.853 6.259 -20.280 242 HG23 VAL 36 HG23 VAL 36 0.590 6.150 -19.276 243 H GLY 37 H GLY 37 4.155 5.257 -22.718 244 HA2 GLY 37 HA2 GLY 37 5.508 6.158 -24.351 245 HA3 GLY 37 HA3 GLY 37 4.317 7.446 -24.496 246 H THR 38 H THR 38 6.165 6.619 -21.609 247 HA THR 38 HA THR 38 7.578 9.204 -21.814 248 HB THR 38 HB THR 38 6.586 7.852 -19.289 249 HG1 THR 38 HG1 THR 38 4.838 9.013 -19.448 250 HG21 THR 38 HG21 THR 38 8.586 9.592 -19.292 251 HG22 THR 38 HG22 THR 38 7.362 9.558 -18.030 252 HG23 THR 38 HG23 THR 38 7.246 10.732 -19.339 253 H ALA 39 H ALA 39 9.538 9.197 -20.185 254 HA ALA 39 HA ALA 39 11.425 7.327 -20.978 255 HB1 ALA 39 HB1 ALA 39 12.225 9.353 -20.089 256 HB2 ALA 39 HB2 ALA 39 12.676 8.133 -18.899 257 HB3 ALA 39 HB3 ALA 39 11.284 9.175 -18.606 258 H GLU 40 H GLU 40 9.614 7.511 -17.952 259 HA GLU 40 HA GLU 40 10.548 5.104 -16.822 260 HB2 GLU 40 HB2 GLU 40 8.581 7.131 -16.186 261 HB3 GLU 40 HB3 GLU 40 8.018 5.525 -15.772 262 HG2 GLU 40 HG2 GLU 40 9.074 6.138 -13.836 263 HG3 GLU 40 HG3 GLU 40 10.363 5.277 -14.676 264 H ALA 41 H ALA 41 9.173 5.204 -19.673 265 HA ALA 41 HA ALA 41 7.665 2.755 -19.284 266 HB1 ALA 41 HB1 ALA 41 5.868 3.502 -20.564 267 HB2 ALA 41 HB2 ALA 41 6.805 4.859 -21.189 268 HB3 ALA 41 HB3 ALA 41 6.264 4.862 -19.512 269 H LEU 42 H LEU 42 10.207 4.036 -20.738 270 HA LEU 42 HA LEU 42 10.007 3.226 -23.408 271 HB2 LEU 42 HB2 LEU 42 12.517 3.342 -23.319 272 HB3 LEU 42 HB3 LEU 42 11.658 4.808 -22.901 273 HG LEU 42 HG LEU 42 12.619 4.913 -20.890 274 HD11 LEU 42 HD11 LEU 42 12.445 3.359 -19.197 275 HD12 LEU 42 HD12 LEU 42 12.546 1.985 -20.293 276 HD13 LEU 42 HD13 LEU 42 11.061 2.943 -20.217 277 HD21 LEU 42 HD21 LEU 42 14.460 4.066 -22.431 278 HD22 LEU 42 HD22 LEU 42 14.292 2.531 -21.579 279 HD23 LEU 42 HD23 LEU 42 14.741 3.987 -20.691 280 H ARG 43 H ARG 43 10.264 1.481 -20.546 281 HA ARG 43 HA ARG 43 11.901 -0.641 -21.008 282 HB2 ARG 43 HB2 ARG 43 9.941 0.058 -19.204 283 HB3 ARG 43 HB3 ARG 43 9.447 -1.495 -19.829 284 HG2 ARG 43 HG2 ARG 43 10.773 -1.784 -17.842 285 HG3 ARG 43 HG3 ARG 43 11.642 -2.413 -19.241 286 HD2 ARG 43 HD2 ARG 43 13.317 -0.964 -18.970 287 HD3 ARG 43 HD3 ARG 43 12.212 0.394 -18.770 288 HE ARG 43 HE ARG 43 12.274 0.088 -16.464 289 HH11 ARG 43 HH11 ARG 43 14.118 -2.394 -18.092 290 HH12 ARG 43 HH12 ARG 43 14.920 -2.913 -16.648 291 HH21 ARG 43 HH21 ARG 43 13.327 -0.603 -14.569 292 HH22 ARG 43 HH22 ARG 43 14.470 -1.901 -14.651 293 H CYS 44 H CYS 44 9.078 0.096 -22.785 294 HA CYS 44 HA CYS 44 8.429 -2.567 -23.473 295 HB2 CYS 44 HB2 CYS 44 7.498 0.079 -24.244 296 HB3 CYS 44 HB3 CYS 44 7.181 -1.217 -25.380 297 H GLN 45 H GLN 45 10.959 -0.621 -24.397 298 HA GLN 45 HA GLN 45 11.321 -1.254 -27.098 299 HB2 GLN 45 HB2 GLN 45 12.927 -0.248 -24.850 300 HB3 GLN 45 HB3 GLN 45 13.840 -0.985 -26.147 301 HG2 GLN 45 HG2 GLN 45 13.710 0.888 -27.310 302 HG3 GLN 45 HG3 GLN 45 11.952 0.752 -27.324 303 HE21 GLN 45 HE21 GLN 45 10.751 2.050 -26.021 304 HE22 GLN 45 HE22 GLN 45 11.416 3.296 -25.025 305 H GLU 46 H GLU 46 11.442 -2.944 -24.295 306 HA GLU 46 HA GLU 46 13.264 -5.079 -25.045 307 HB2 GLU 46 HB2 GLU 46 12.683 -6.155 -23.003 308 HB3 GLU 46 HB3 GLU 46 12.785 -4.438 -22.639 309 HG2 GLU 46 HG2 GLU 46 10.842 -4.817 -21.609 310 HG3 GLU 46 HG3 GLU 46 10.174 -4.624 -23.225 311 H GLU 47 H GLU 47 9.863 -4.341 -25.030 312 HA GLU 47 HA GLU 47 9.097 -6.926 -26.119 313 HB2 GLU 47 HB2 GLU 47 7.768 -5.132 -24.570 314 HB3 GLU 47 HB3 GLU 47 7.158 -4.698 -26.162 315 HG2 GLU 47 HG2 GLU 47 6.193 -6.786 -26.498 316 HG3 GLU 47 HG3 GLU 47 7.167 -7.542 -25.238 317 H ASN 48 H ASN 48 10.917 -5.017 -27.572 318 HA ASN 48 HA ASN 48 9.593 -5.204 -30.105 319 HB2 ASN 48 HB2 ASN 48 9.102 -2.914 -29.153 320 HB3 ASN 48 HB3 ASN 48 10.829 -2.587 -29.278 321 HD21 ASN 48 HD21 ASN 48 11.527 -1.729 -31.098 322 HD22 ASN 48 HD22 ASN 48 10.681 -1.719 -32.604 323 H TYR 49 H TYR 49 12.139 -6.069 -28.419 324 HA TYR 49 HA TYR 49 13.872 -6.007 -30.783 325 HB2 TYR 49 HB2 TYR 49 14.425 -4.627 -28.247 326 HB3 TYR 49 HB3 TYR 49 15.723 -5.690 -28.801 327 HD1 TYR 49 HD1 TYR 49 16.265 -5.454 -31.392 328 HD2 TYR 49 HD2 TYR 49 14.486 -2.439 -28.973 329 HE1 TYR 49 HE1 TYR 49 17.019 -3.740 -32.986 330 HE2 TYR 49 HE2 TYR 49 15.234 -0.717 -30.561 331 HH TYR 49 HH TYR 49 15.839 -0.664 -33.076 332 H LEU 50 H LEU 50 14.051 -7.080 -27.373 333 HA LEU 50 HA LEU 50 14.934 -9.705 -28.363 334 HB2 LEU 50 HB2 LEU 50 15.244 -8.469 -25.621 335 HB3 LEU 50 HB3 LEU 50 15.833 -10.052 -26.089 336 HG LEU 50 HG LEU 50 17.696 -8.576 -26.092 337 HD11 LEU 50 HD11 LEU 50 18.255 -9.835 -27.854 338 HD12 LEU 50 HD12 LEU 50 17.943 -8.373 -28.787 339 HD13 LEU 50 HD13 LEU 50 16.697 -9.611 -28.646 340 HD21 LEU 50 HD21 LEU 50 17.381 -6.640 -27.981 341 HD22 LEU 50 HD22 LEU 50 17.202 -6.397 -26.244 342 HD23 LEU 50 HD23 LEU 50 15.784 -6.688 -27.244 343 HA PRO 51 HA PRO 51 10.589 -10.802 -27.485 344 HB2 PRO 51 HB2 PRO 51 12.012 -13.373 -28.105 345 HB3 PRO 51 HB3 PRO 51 10.379 -12.860 -28.560 346 HG2 PRO 51 HG2 PRO 51 12.291 -12.659 -30.343 347 HG3 PRO 51 HG3 PRO 51 11.176 -11.294 -30.109 348 HD2 PRO 51 HD2 PRO 51 14.004 -11.601 -29.185 349 HD3 PRO 51 HD3 PRO 51 13.164 -10.157 -29.790 350 H SER 52 H SER 52 9.812 -11.148 -25.502 351 HA SER 52 HA SER 52 11.292 -12.928 -23.686 352 HB2 SER 52 HB2 SER 52 9.964 -10.346 -22.834 353 HB3 SER 52 HB3 SER 52 10.931 -11.426 -21.830 354 HG SER 52 HG SER 52 12.180 -10.476 -24.115 355 HA PRO 53 HA PRO 53 7.153 -14.504 -23.132 356 HB2 PRO 53 HB2 PRO 53 7.834 -16.684 -21.690 357 HB3 PRO 53 HB3 PRO 53 8.163 -16.553 -23.419 358 HG2 PRO 53 HG2 PRO 53 10.029 -16.479 -21.161 359 HG3 PRO 53 HG3 PRO 53 10.352 -16.775 -22.875 360 HD2 PRO 53 HD2 PRO 53 10.683 -14.325 -21.366 361 HD3 PRO 53 HD3 PRO 53 11.141 -14.665 -23.047 362 H CYS 54 H CYS 54 5.584 -14.138 -21.640 363 HA CYS 54 HA CYS 54 6.075 -14.275 -18.860 364 HB2 CYS 54 HB2 CYS 54 5.674 -11.983 -18.327 365 HB3 CYS 54 HB3 CYS 54 7.048 -12.091 -19.419 366 H GLN 55 H GLN 55 4.141 -13.501 -17.579 367 HA GLN 55 HA GLN 55 1.859 -14.848 -18.410 368 HB2 GLN 55 HB2 GLN 55 2.522 -14.195 -16.073 369 HB3 GLN 55 HB3 GLN 55 1.927 -12.582 -16.421 370 HG2 GLN 55 HG2 GLN 55 0.293 -13.915 -15.169 371 HG3 GLN 55 HG3 GLN 55 -0.320 -13.453 -16.752 372 HE21 GLN 55 HE21 GLN 55 -0.799 -15.749 -14.813 373 HE22 GLN 55 HE22 GLN 55 -0.711 -17.160 -15.802 374 H SER 56 H SER 56 -0.385 -13.555 -18.231 375 HA SER 56 HA SER 56 -0.698 -12.210 -20.636 376 HB2 SER 56 HB2 SER 56 -2.948 -11.506 -19.367 377 HB3 SER 56 HB3 SER 56 -2.686 -13.140 -19.975 378 HG SER 56 HG SER 56 -3.183 -13.553 -17.941 379 H GLY 57 H GLY 57 -2.271 -10.026 -20.239 380 HA2 GLY 57 HA2 GLY 57 -0.304 -8.057 -19.331 381 HA3 GLY 57 HA3 GLY 57 -1.696 -7.739 -20.355 382 H GLN 58 H GLN 58 -2.958 -6.307 -19.323 383 HA GLN 58 HA GLN 58 -3.642 -6.862 -16.513 384 HB2 GLN 58 HB2 GLN 58 -2.360 -4.582 -17.584 385 HB3 GLN 58 HB3 GLN 58 -3.974 -4.138 -17.034 386 HG2 GLN 58 HG2 GLN 58 -1.818 -5.487 -15.442 387 HG3 GLN 58 HG3 GLN 58 -2.399 -3.852 -15.250 388 HE21 GLN 58 HE21 GLN 58 -5.169 -4.439 -15.559 389 HE22 GLN 58 HE22 GLN 58 -5.669 -5.315 -14.157 390 H LYS 59 H LYS 59 -5.612 -7.935 -17.215 391 HA LYS 59 HA LYS 59 -7.392 -7.315 -18.978 392 HB2 LYS 59 HB2 LYS 59 -7.475 -9.131 -17.311 393 HB3 LYS 59 HB3 LYS 59 -8.109 -7.987 -16.140 394 HG2 LYS 59 HG2 LYS 59 -10.137 -7.781 -17.260 395 HG3 LYS 59 HG3 LYS 59 -9.477 -8.438 -18.760 396 HD2 LYS 59 HD2 LYS 59 -9.154 -10.370 -16.682 397 HD3 LYS 59 HD3 LYS 59 -10.827 -9.814 -16.688 398 HE2 LYS 59 HE2 LYS 59 -11.060 -11.403 -18.272 399 HE3 LYS 59 HE3 LYS 59 -10.433 -10.138 -19.329 400 HZ1 LYS 59 HZ1 LYS 59 -9.370 -12.500 -19.318 401 HZ2 LYS 59 HZ2 LYS 59 -8.535 -11.915 -17.968 402 HZ3 LYS 59 HZ3 LYS 59 -8.391 -11.127 -19.457 403 HA PRO 60 HA PRO 60 -8.781 -3.124 -18.713 404 HB2 PRO 60 HB2 PRO 60 -11.102 -4.432 -20.021 405 HB3 PRO 60 HB3 PRO 60 -10.243 -2.958 -20.478 406 HG2 PRO 60 HG2 PRO 60 -9.853 -5.292 -21.752 407 HG3 PRO 60 HG3 PRO 60 -8.562 -4.104 -21.530 408 HD2 PRO 60 HD2 PRO 60 -8.929 -6.725 -20.239 409 HD3 PRO 60 HD3 PRO 60 -7.455 -5.749 -20.432 410 H CYS 61 H CYS 61 -10.763 -1.951 -17.894 411 HA CYS 61 HA CYS 61 -12.524 -3.489 -16.248 412 HB2 CYS 61 HB2 CYS 61 -12.014 -1.601 -14.462 413 HB3 CYS 61 HB3 CYS 61 -11.119 -3.101 -14.498 414 H GLY 62 H GLY 62 -14.333 -2.480 -15.669 415 HA2 GLY 62 HA2 GLY 62 -15.673 -0.873 -17.336 416 HA3 GLY 62 HA3 GLY 62 -16.042 -0.916 -15.625 417 H SER 63 H SER 63 -13.039 0.372 -15.650 418 HA SER 63 HA SER 63 -14.128 3.029 -15.652 419 HB2 SER 63 HB2 SER 63 -12.616 2.018 -13.822 420 HB3 SER 63 HB3 SER 63 -11.324 2.415 -14.927 421 HG SER 63 HG SER 63 -12.072 4.582 -14.882 422 H GLY 64 H GLY 64 -13.900 1.697 -18.062 423 HA2 GLY 64 HA2 GLY 64 -13.155 1.883 -20.198 424 HA3 GLY 64 HA3 GLY 64 -12.969 3.557 -19.791 425 H GLY 65 H GLY 65 -11.204 0.550 -19.094 426 HA2 GLY 65 HA2 GLY 65 -9.043 0.881 -20.586 427 HA3 GLY 65 HA3 GLY 65 -8.706 1.861 -19.187 428 H ARG 66 H ARG 66 -6.956 0.264 -18.924 429 HA ARG 66 HA ARG 66 -7.839 -2.258 -17.841 430 HB2 ARG 66 HB2 ARG 66 -4.947 -1.827 -18.039 431 HB3 ARG 66 HB3 ARG 66 -5.891 -3.280 -18.282 432 HG2 ARG 66 HG2 ARG 66 -5.738 -1.005 -20.227 433 HG3 ARG 66 HG3 ARG 66 -4.868 -2.538 -20.352 434 HD2 ARG 66 HD2 ARG 66 -7.219 -3.590 -20.124 435 HD3 ARG 66 HD3 ARG 66 -7.793 -1.992 -20.590 436 HE ARG 66 HE ARG 66 -7.015 -2.364 -22.728 437 HH11 ARG 66 HH11 ARG 66 -5.811 -4.858 -20.599 438 HH12 ARG 66 HH12 ARG 66 -5.237 -5.857 -21.892 439 HH21 ARG 66 HH21 ARG 66 -6.244 -3.674 -24.425 440 HH22 ARG 66 HH22 ARG 66 -5.473 -5.181 -24.059 441 H CYS 67 H CYS 67 -6.826 -3.181 -15.850 442 HA CYS 67 HA CYS 67 -6.928 -1.166 -13.837 443 HB2 CYS 67 HB2 CYS 67 -7.696 -3.601 -13.665 444 HB3 CYS 67 HB3 CYS 67 -6.005 -3.972 -13.508 445 H ALA 68 H ALA 68 -5.088 -0.334 -15.472 446 HA ALA 68 HA ALA 68 -2.557 -1.096 -15.469 447 HB1 ALA 68 HB1 ALA 68 -2.050 1.451 -15.370 448 HB2 ALA 68 HB2 ALA 68 -3.805 1.557 -15.493 449 HB3 ALA 68 HB3 ALA 68 -2.876 0.708 -16.735 450 H ALA 69 H ALA 69 -2.653 1.799 -13.470 451 HA ALA 69 HA ALA 69 -0.716 0.945 -11.748 452 HB1 ALA 69 HB1 ALA 69 -0.605 3.104 -11.179 453 HB2 ALA 69 HB2 ALA 69 -2.355 3.299 -11.087 454 HB3 ALA 69 HB3 ALA 69 -1.549 3.289 -12.656 455 H ALA 70 H ALA 70 -1.594 2.342 -9.481 456 HA ALA 70 HA ALA 70 -2.460 0.256 -7.778 457 HB1 ALA 70 HB1 ALA 70 -1.456 2.826 -7.404 458 HB2 ALA 70 HB2 ALA 70 -2.017 1.746 -6.128 459 HB3 ALA 70 HB3 ALA 70 -3.129 2.935 -6.832 460 H GLY 71 H GLY 71 -4.359 -0.471 -9.044 461 HA2 GLY 71 HA2 GLY 71 -6.579 -0.533 -9.350 462 HA3 GLY 71 HA3 GLY 71 -6.713 0.711 -8.141 463 H ILE 72 H ILE 72 -4.910 1.058 -11.070 464 HA ILE 72 HA ILE 72 -6.631 3.227 -11.811 465 HB ILE 72 HB ILE 72 -3.782 2.741 -12.383 466 HG12 ILE 72 HG12 ILE 72 -5.610 5.031 -11.930 467 HG13 ILE 72 HG13 ILE 72 -4.212 4.561 -10.979 468 HG21 ILE 72 HG21 ILE 72 -3.970 2.830 -14.625 469 HG22 ILE 72 HG22 ILE 72 -4.352 4.532 -14.398 470 HG23 ILE 72 HG23 ILE 72 -5.646 3.353 -14.559 471 HD11 ILE 72 HD11 ILE 72 -3.834 6.651 -12.164 472 HD12 ILE 72 HD12 ILE 72 -4.197 5.863 -13.708 473 HD13 ILE 72 HD13 ILE 72 -2.759 5.397 -12.782 474 H CYS 73 H CYS 73 -7.429 3.416 -13.875 475 HA CYS 73 HA CYS 73 -7.485 0.932 -15.297 476 HB2 CYS 73 HB2 CYS 73 -9.573 1.521 -13.965 477 HB3 CYS 73 HB3 CYS 73 -9.874 2.773 -15.153 478 H CYS 74 H CYS 74 -6.100 1.275 -16.710 479 HA CYS 74 HA CYS 74 -6.025 3.800 -18.229 480 HB2 CYS 74 HB2 CYS 74 -4.183 3.680 -16.755 481 HB3 CYS 74 HB3 CYS 74 -3.921 1.993 -17.124 482 H SER 75 H SER 75 -5.697 3.675 -20.404 483 HA SER 75 HA SER 75 -5.610 0.982 -21.514 484 HB2 SER 75 HB2 SER 75 -6.581 3.592 -22.716 485 HB3 SER 75 HB3 SER 75 -6.690 2.026 -23.507 486 HG SER 75 HG SER 75 -8.596 2.897 -22.273 487 HA PRO 76 HA PRO 76 -1.908 2.699 -23.559 488 HB2 PRO 76 HB2 PRO 76 -2.258 3.240 -26.194 489 HB3 PRO 76 HB3 PRO 76 -2.279 1.599 -25.562 490 HG2 PRO 76 HG2 PRO 76 -4.467 3.155 -26.652 491 HG3 PRO 76 HG3 PRO 76 -4.384 1.426 -26.294 492 HD2 PRO 76 HD2 PRO 76 -5.582 3.558 -24.708 493 HD3 PRO 76 HD3 PRO 76 -5.703 1.797 -24.523 494 H ASP 77 H ASP 77 -4.678 4.603 -24.399 495 HA ASP 77 HA ASP 77 -3.538 6.970 -25.282 496 HB2 ASP 77 HB2 ASP 77 -6.055 5.929 -25.178 497 HB3 ASP 77 HB3 ASP 77 -6.160 7.175 -23.938 498 H GLY 78 H GLY 78 -5.015 6.231 -22.147 499 HA2 GLY 78 HA2 GLY 78 -2.960 7.610 -20.778 500 HA3 GLY 78 HA3 GLY 78 -4.406 8.560 -20.779 501 H CYS 79 H CYS 79 -3.013 7.423 -18.477 502 HA CYS 79 HA CYS 79 -5.028 5.521 -17.520 503 HB2 CYS 79 HB2 CYS 79 -2.582 6.078 -15.954 504 HB3 CYS 79 HB3 CYS 79 -3.474 4.591 -16.099 505 H GLU 80 H GLU 80 -6.151 5.942 -15.718 506 HA GLU 80 HA GLU 80 -5.412 8.276 -14.157 507 HB2 GLU 80 HB2 GLU 80 -7.713 9.125 -14.189 508 HB3 GLU 80 HB3 GLU 80 -6.985 9.102 -15.789 509 HG2 GLU 80 HG2 GLU 80 -8.379 7.478 -16.556 510 HG3 GLU 80 HG3 GLU 80 -8.563 6.730 -14.971 511 H GLU 81 H GLU 81 -5.657 8.057 -11.975 512 HA GLU 81 HA GLU 81 -6.069 5.683 -10.777 513 HB2 GLU 81 HB2 GLU 81 -6.605 7.059 -8.738 514 HB3 GLU 81 HB3 GLU 81 -5.083 7.399 -9.537 515 HG2 GLU 81 HG2 GLU 81 -5.645 9.508 -9.659 516 HG3 GLU 81 HG3 GLU 81 -6.995 9.063 -10.690 517 H ASP 82 H ASP 82 -7.790 4.590 -11.639 518 HA ASP 82 HA ASP 82 -10.382 5.629 -11.408 519 HB2 ASP 82 HB2 ASP 82 -9.401 3.052 -12.415 520 HB3 ASP 82 HB3 ASP 82 -11.037 3.570 -12.541 521 HA PRO 83 HA PRO 83 -11.310 3.853 -7.473 522 HB2 PRO 83 HB2 PRO 83 -14.030 4.668 -8.361 523 HB3 PRO 83 HB3 PRO 83 -13.191 5.079 -6.855 524 HG2 PRO 83 HG2 PRO 83 -13.495 6.898 -8.749 525 HG3 PRO 83 HG3 PRO 83 -11.964 6.744 -7.871 526 HD2 PRO 83 HD2 PRO 83 -12.668 5.695 -10.589 527 HD3 PRO 83 HD3 PRO 83 -11.193 6.545 -10.078 528 H ALA 84 H ALA 84 -11.691 2.911 -10.495 529 HA ALA 84 HA ALA 84 -13.672 0.917 -10.209 530 HB1 ALA 84 HB1 ALA 84 -13.505 0.861 -12.445 531 HB2 ALA 84 HB2 ALA 84 -11.751 0.649 -12.361 532 HB3 ALA 84 HB3 ALA 84 -12.454 2.267 -12.246 533 H CYS 85 H CYS 85 -10.218 1.303 -9.943 534 HA CYS 85 HA CYS 85 -10.067 -1.452 -9.169 535 HB2 CYS 85 HB2 CYS 85 -8.376 0.023 -11.025 536 HB3 CYS 85 HB3 CYS 85 -7.524 -0.936 -9.844 537 H ASP 86 H ASP 86 -9.233 1.813 -7.904 538 HA ASP 86 HA ASP 86 -8.698 0.851 -5.318 539 HB2 ASP 86 HB2 ASP 86 -6.921 -0.406 -6.685 540 HB3 ASP 86 HB3 ASP 86 -6.123 1.168 -6.728 541 HA PRO 87 HA PRO 87 -6.126 4.849 -5.365 542 HB2 PRO 87 HB2 PRO 87 -6.501 6.376 -7.690 543 HB3 PRO 87 HB3 PRO 87 -5.090 5.435 -7.278 544 HG2 PRO 87 HG2 PRO 87 -6.742 4.853 -9.401 545 HG3 PRO 87 HG3 PRO 87 -5.743 3.660 -8.560 546 HD2 PRO 87 HD2 PRO 87 -8.630 4.315 -8.141 547 HD3 PRO 87 HD3 PRO 87 -7.881 2.736 -8.317 548 H GLU 88 H GLU 88 -8.461 5.933 -7.594 549 HA GLU 88 HA GLU 88 -9.452 7.972 -5.811 550 HB2 GLU 88 HB2 GLU 88 -9.289 8.086 -8.402 551 HB3 GLU 88 HB3 GLU 88 -10.741 7.108 -8.379 552 HG2 GLU 88 HG2 GLU 88 -11.961 8.817 -7.244 553 HG3 GLU 88 HG3 GLU 88 -10.496 9.775 -7.051 554 H ALA 89 H ALA 89 -9.580 4.819 -6.243 555 HA ALA 89 HA ALA 89 -11.545 3.392 -6.364 556 HB1 ALA 89 HB1 ALA 89 -10.876 1.926 -4.739 557 HB2 ALA 89 HB2 ALA 89 -10.139 3.207 -3.766 558 HB3 ALA 89 HB3 ALA 89 -9.459 2.781 -5.343 559 H ALA 90 H ALA 90 -13.253 2.961 -6.052 560 HA ALA 90 HA ALA 90 -15.006 3.933 -3.978 561 HB1 ALA 90 HB1 ALA 90 -16.729 3.044 -5.631 562 HB2 ALA 90 HB2 ALA 90 -15.370 2.770 -6.741 563 HB3 ALA 90 HB3 ALA 90 -15.784 4.415 -6.219 564 H PHE 91 H PHE 91 -16.669 1.651 -4.650 565 HA PHE 91 HA PHE 91 -15.516 -0.423 -3.031 566 HB2 PHE 91 HB2 PHE 91 -18.064 -0.058 -4.551 567 HB3 PHE 91 HB3 PHE 91 -17.568 -1.713 -4.211 568 HD1 PHE 91 HD1 PHE 91 -17.575 1.496 -2.295 569 HD2 PHE 91 HD2 PHE 91 -18.672 -2.613 -2.427 570 HE1 PHE 91 HE1 PHE 91 -18.527 1.682 -0.034 571 HE2 PHE 91 HE2 PHE 91 -19.626 -2.435 -0.166 572 HZ PHE 91 HZ PHE 91 -19.554 -0.285 1.033 573 H SER 92 H SER 92 -13.694 0.144 -4.861 574 HA SER 92 HA SER 92 -13.818 -1.411 -7.252 575 HB2 SER 92 HB2 SER 92 -11.781 -0.407 -7.792 576 HB3 SER 92 HB3 SER 92 -12.495 0.826 -6.734 577 HG SER 92 HG SER 92 -10.852 0.556 -5.507 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 -1.247 -15.018 -24.431 2 H2 ALA 1 H2 ALA 1 -1.615 -15.414 -22.803 3 H3 ALA 1 H3 ALA 1 -0.845 -16.567 -23.815 4 HA ALA 1 HA ALA 1 1.058 -15.138 -23.998 5 HB1 ALA 1 HB1 ALA 1 1.232 -13.226 -22.433 6 HB2 ALA 1 HB2 ALA 1 -0.474 -13.436 -22.037 7 HB3 ALA 1 HB3 ALA 1 0.003 -13.000 -23.678 8 H VAL 2 H VAL 2 2.181 -16.818 -23.196 9 HA VAL 2 HA VAL 2 1.692 -18.103 -20.748 10 HB VAL 2 HB VAL 2 4.021 -19.025 -21.019 11 HG11 VAL 2 HG11 VAL 2 2.296 -20.345 -21.886 12 HG12 VAL 2 HG12 VAL 2 3.430 -20.183 -23.227 13 HG13 VAL 2 HG13 VAL 2 1.960 -19.210 -23.193 14 HG21 VAL 2 HG21 VAL 2 4.569 -18.400 -23.665 15 HG22 VAL 2 HG22 VAL 2 5.439 -17.819 -22.246 16 HG23 VAL 2 HG23 VAL 2 4.137 -16.854 -22.937 17 H LEU 3 H LEU 3 3.399 -18.277 -19.001 18 HA LEU 3 HA LEU 3 3.575 -15.878 -17.661 19 HB2 LEU 3 HB2 LEU 3 4.478 -18.631 -17.267 20 HB3 LEU 3 HB3 LEU 3 5.463 -17.435 -16.456 21 HG LEU 3 HG LEU 3 4.008 -17.680 -14.768 22 HD11 LEU 3 HD11 LEU 3 2.126 -16.191 -16.571 23 HD12 LEU 3 HD12 LEU 3 3.508 -15.454 -15.752 24 HD13 LEU 3 HD13 LEU 3 2.182 -16.148 -14.805 25 HD21 LEU 3 HD21 LEU 3 1.485 -18.350 -15.618 26 HD22 LEU 3 HD22 LEU 3 2.727 -19.487 -15.091 27 HD23 LEU 3 HD23 LEU 3 2.519 -19.142 -16.808 28 H ASP 4 H ASP 4 5.468 -14.912 -16.715 29 HA ASP 4 HA ASP 4 7.308 -14.171 -18.719 30 HB2 ASP 4 HB2 ASP 4 6.464 -12.496 -17.154 31 HB3 ASP 4 HB3 ASP 4 7.159 -13.391 -15.809 32 H LEU 5 H LEU 5 8.310 -14.695 -15.441 33 HA LEU 5 HA LEU 5 10.536 -16.398 -16.349 34 HB2 LEU 5 HB2 LEU 5 10.926 -14.637 -14.690 35 HB3 LEU 5 HB3 LEU 5 9.753 -15.380 -13.595 36 HG LEU 5 HG LEU 5 11.189 -17.393 -13.419 37 HD11 LEU 5 HD11 LEU 5 13.512 -17.307 -14.276 38 HD12 LEU 5 HD12 LEU 5 12.304 -17.263 -15.604 39 HD13 LEU 5 HD13 LEU 5 13.143 -15.757 -15.103 40 HD21 LEU 5 HD21 LEU 5 12.987 -16.342 -12.078 41 HD22 LEU 5 HD22 LEU 5 12.596 -14.751 -12.812 42 HD23 LEU 5 HD23 LEU 5 11.390 -15.581 -11.773 43 H ASP 6 H ASP 6 8.186 -16.651 -13.788 44 HA ASP 6 HA ASP 6 7.201 -19.158 -14.493 45 HB2 ASP 6 HB2 ASP 6 9.506 -19.047 -12.938 46 HB3 ASP 6 HB3 ASP 6 8.205 -19.420 -11.824 47 H VAL 7 H VAL 7 7.718 -16.877 -11.887 48 HA VAL 7 HA VAL 7 4.840 -17.110 -11.310 49 HB VAL 7 HB VAL 7 5.361 -16.406 -8.928 50 HG11 VAL 7 HG11 VAL 7 6.423 -18.523 -8.220 51 HG12 VAL 7 HG12 VAL 7 5.176 -18.790 -9.485 52 HG13 VAL 7 HG13 VAL 7 6.918 -18.837 -9.917 53 HG21 VAL 7 HG21 VAL 7 7.713 -16.421 -8.163 54 HG22 VAL 7 HG22 VAL 7 8.259 -16.653 -9.858 55 HG23 VAL 7 HG23 VAL 7 7.416 -15.139 -9.385 56 H ARG 8 H ARG 8 6.915 -14.981 -12.644 57 HA ARG 8 HA ARG 8 6.194 -12.573 -11.389 58 HB2 ARG 8 HB2 ARG 8 7.769 -13.383 -13.776 59 HB3 ARG 8 HB3 ARG 8 7.307 -11.709 -13.592 60 HG2 ARG 8 HG2 ARG 8 8.482 -11.539 -11.515 61 HG3 ARG 8 HG3 ARG 8 8.795 -13.272 -11.513 62 HD2 ARG 8 HD2 ARG 8 10.300 -13.121 -13.300 63 HD3 ARG 8 HD3 ARG 8 9.733 -11.517 -13.751 64 HE ARG 8 HE ARG 8 10.746 -11.197 -11.240 65 HH11 ARG 8 HH11 ARG 8 12.008 -12.437 -14.251 66 HH12 ARG 8 HH12 ARG 8 13.636 -11.954 -13.911 67 HH21 ARG 8 HH21 ARG 8 12.886 -10.561 -10.794 68 HH22 ARG 8 HH22 ARG 8 14.135 -10.889 -11.949 69 H THR 9 H THR 9 5.551 -10.724 -12.912 70 HA THR 9 HA THR 9 3.303 -11.470 -14.578 71 HB THR 9 HB THR 9 2.752 -8.953 -13.541 72 HG1 THR 9 HG1 THR 9 3.615 -8.930 -11.648 73 HG21 THR 9 HG21 THR 9 1.010 -10.220 -12.171 74 HG22 THR 9 HG22 THR 9 1.644 -11.641 -12.987 75 HG23 THR 9 HG23 THR 9 0.936 -10.337 -13.931 76 H CYS 10 H CYS 10 4.510 -11.201 -16.467 77 HA CYS 10 HA CYS 10 5.305 -10.049 -18.267 78 HB2 CYS 10 HB2 CYS 10 3.661 -8.149 -16.922 79 HB3 CYS 10 HB3 CYS 10 5.122 -7.322 -17.454 80 H LEU 11 H LEU 11 6.830 -7.763 -18.512 81 HA LEU 11 HA LEU 11 9.196 -8.511 -16.948 82 HB2 LEU 11 HB2 LEU 11 8.733 -7.406 -19.644 83 HB3 LEU 11 HB3 LEU 11 10.130 -6.764 -18.799 84 HG LEU 11 HG LEU 11 11.039 -9.017 -18.541 85 HD11 LEU 11 HD11 LEU 11 9.767 -10.812 -18.682 86 HD12 LEU 11 HD12 LEU 11 9.403 -10.458 -20.369 87 HD13 LEU 11 HD13 LEU 11 8.381 -9.805 -19.091 88 HD21 LEU 11 HD21 LEU 11 10.736 -9.391 -21.298 89 HD22 LEU 11 HD22 LEU 11 12.036 -8.540 -20.465 90 HD23 LEU 11 HD23 LEU 11 10.624 -7.651 -21.035 91 HA PRO 12 HA PRO 12 8.680 -5.062 -14.189 92 HB2 PRO 12 HB2 PRO 12 11.654 -5.058 -14.346 93 HB3 PRO 12 HB3 PRO 12 10.593 -4.995 -12.941 94 HG2 PRO 12 HG2 PRO 12 11.854 -7.241 -13.686 95 HG3 PRO 12 HG3 PRO 12 10.277 -7.232 -12.881 96 HD2 PRO 12 HD2 PRO 12 10.953 -7.888 -15.673 97 HD3 PRO 12 HD3 PRO 12 9.507 -8.309 -14.738 98 H CYS 13 H CYS 13 9.272 -2.865 -13.968 99 HA CYS 13 HA CYS 13 10.523 -1.501 -16.138 100 HB2 CYS 13 HB2 CYS 13 8.098 -1.779 -16.744 101 HB3 CYS 13 HB3 CYS 13 7.706 -0.802 -15.337 102 H GLY 14 H GLY 14 9.556 1.004 -15.399 103 HA2 GLY 14 HA2 GLY 14 10.163 2.773 -13.983 104 HA3 GLY 14 HA3 GLY 14 9.621 1.670 -12.744 105 HA PRO 15 HA PRO 15 14.014 2.255 -11.775 106 HB2 PRO 15 HB2 PRO 15 13.730 2.766 -9.203 107 HB3 PRO 15 HB3 PRO 15 13.115 3.933 -10.389 108 HG2 PRO 15 HG2 PRO 15 11.590 1.785 -8.954 109 HG3 PRO 15 HG3 PRO 15 11.234 3.525 -9.034 110 HD2 PRO 15 HD2 PRO 15 10.104 1.740 -10.729 111 HD3 PRO 15 HD3 PRO 15 10.470 3.398 -11.216 112 H GLY 16 H GLY 16 14.148 -0.075 -12.379 113 HA2 GLY 16 HA2 GLY 16 15.332 -1.968 -11.482 114 HA3 GLY 16 HA3 GLY 16 14.439 -1.758 -9.984 115 H GLY 17 H GLY 17 11.968 -1.861 -10.390 116 HA2 GLY 17 HA2 GLY 17 10.862 -3.324 -12.442 117 HA3 GLY 17 HA3 GLY 17 11.294 -4.467 -11.186 118 H LYS 18 H LYS 18 10.325 -1.212 -10.818 119 HA LYS 18 HA LYS 18 8.410 -1.622 -8.825 120 HB2 LYS 18 HB2 LYS 18 9.591 0.526 -10.366 121 HB3 LYS 18 HB3 LYS 18 7.932 0.822 -9.919 122 HG2 LYS 18 HG2 LYS 18 9.844 1.630 -8.429 123 HG3 LYS 18 HG3 LYS 18 8.383 0.949 -7.723 124 HD2 LYS 18 HD2 LYS 18 9.478 -1.194 -7.531 125 HD3 LYS 18 HD3 LYS 18 10.934 -0.546 -8.252 126 HE2 LYS 18 HE2 LYS 18 11.575 -0.232 -6.116 127 HE3 LYS 18 HE3 LYS 18 10.548 1.198 -6.214 128 HZ1 LYS 18 HZ1 LYS 18 9.353 0.347 -4.572 129 HZ2 LYS 18 HZ2 LYS 18 10.249 -1.087 -4.583 130 HZ3 LYS 18 HZ3 LYS 18 8.891 -0.932 -5.578 131 H GLY 19 H GLY 19 8.389 -1.555 -12.190 132 HA2 GLY 19 HA2 GLY 19 5.583 -2.112 -12.318 133 HA3 GLY 19 HA3 GLY 19 6.189 -0.775 -13.280 134 H ARG 20 H ARG 20 5.620 -1.788 -15.115 135 HA ARG 20 HA ARG 20 7.566 -3.498 -16.293 136 HB2 ARG 20 HB2 ARG 20 6.008 -5.321 -16.794 137 HB3 ARG 20 HB3 ARG 20 6.283 -5.110 -15.067 138 HG2 ARG 20 HG2 ARG 20 4.199 -4.234 -14.690 139 HG3 ARG 20 HG3 ARG 20 4.035 -3.732 -16.369 140 HD2 ARG 20 HD2 ARG 20 2.948 -5.595 -16.849 141 HD3 ARG 20 HD3 ARG 20 4.341 -6.515 -16.308 142 HE ARG 20 HE ARG 20 1.917 -6.484 -15.026 143 HH11 ARG 20 HH11 ARG 20 5.238 -5.859 -14.145 144 HH12 ARG 20 HH12 ARG 20 5.021 -6.305 -12.499 145 HH21 ARG 20 HH21 ARG 20 1.639 -7.089 -12.849 146 HH22 ARG 20 HH22 ARG 20 2.986 -7.012 -11.761 147 H CYS 21 H CYS 21 6.536 -4.221 -18.562 148 HA CYS 21 HA CYS 21 5.383 -1.792 -19.774 149 HB2 CYS 21 HB2 CYS 21 7.390 -3.742 -20.568 150 HB3 CYS 21 HB3 CYS 21 6.170 -3.501 -21.801 151 H PHE 22 H PHE 22 3.211 -1.957 -20.622 152 HA PHE 22 HA PHE 22 2.078 -4.622 -20.462 153 HB2 PHE 22 HB2 PHE 22 0.953 -1.838 -20.491 154 HB3 PHE 22 HB3 PHE 22 -0.071 -3.243 -20.705 155 HD1 PHE 22 HD1 PHE 22 2.897 -2.999 -18.492 156 HD2 PHE 22 HD2 PHE 22 -1.354 -3.103 -18.751 157 HE1 PHE 22 HE1 PHE 22 2.737 -3.231 -16.055 158 HE2 PHE 22 HE2 PHE 22 -1.495 -3.347 -16.308 159 HZ PHE 22 HZ PHE 22 0.560 -3.418 -14.961 160 H GLY 23 H GLY 23 3.395 -2.699 -22.874 161 HA2 GLY 23 HA2 GLY 23 2.943 -4.299 -24.972 162 HA3 GLY 23 HA3 GLY 23 1.402 -3.487 -24.869 163 HA PRO 24 HA PRO 24 3.292 -0.451 -27.445 164 HB2 PRO 24 HB2 PRO 24 1.388 1.382 -27.531 165 HB3 PRO 24 HB3 PRO 24 1.042 -0.287 -28.004 166 HG2 PRO 24 HG2 PRO 24 0.301 1.162 -25.518 167 HG3 PRO 24 HG3 PRO 24 -0.567 -0.099 -26.403 168 HD2 PRO 24 HD2 PRO 24 1.101 -0.421 -24.114 169 HD3 PRO 24 HD3 PRO 24 0.334 -1.703 -25.077 170 H SER 25 H SER 25 5.167 0.205 -26.199 171 HA SER 25 HA SER 25 6.501 1.742 -25.132 172 HB2 SER 25 HB2 SER 25 5.172 3.121 -27.010 173 HB3 SER 25 HB3 SER 25 4.509 3.919 -25.579 174 HG SER 25 HG SER 25 6.928 4.217 -26.721 175 H ILE 26 H ILE 26 3.936 0.546 -23.811 176 HA ILE 26 HA ILE 26 3.541 2.550 -21.752 177 HB ILE 26 HB ILE 26 1.705 1.130 -23.040 178 HG12 ILE 26 HG12 ILE 26 1.298 1.609 -20.118 179 HG13 ILE 26 HG13 ILE 26 1.590 2.964 -21.228 180 HG21 ILE 26 HG21 ILE 26 0.830 -0.615 -21.523 181 HG22 ILE 26 HG22 ILE 26 2.325 -0.490 -20.591 182 HG23 ILE 26 HG23 ILE 26 2.371 -1.048 -22.270 183 HD11 ILE 26 HD11 ILE 26 -0.358 1.255 -22.398 184 HD12 ILE 26 HD12 ILE 26 -0.550 2.915 -21.847 185 HD13 ILE 26 HD13 ILE 26 -0.843 1.585 -20.732 186 H CYS 27 H CYS 27 3.390 1.994 -19.597 187 HA CYS 27 HA CYS 27 4.670 -0.354 -18.618 188 HB2 CYS 27 HB2 CYS 27 6.016 2.151 -18.979 189 HB3 CYS 27 HB3 CYS 27 6.019 1.683 -17.301 190 H CYS 28 H CYS 28 4.178 -0.705 -16.456 191 HA CYS 28 HA CYS 28 2.612 1.277 -15.035 192 HB2 CYS 28 HB2 CYS 28 1.293 -0.619 -16.436 193 HB3 CYS 28 HB3 CYS 28 1.577 -1.494 -14.936 194 H GLY 29 H GLY 29 3.292 1.393 -12.996 195 HA2 GLY 29 HA2 GLY 29 4.746 -0.874 -11.938 196 HA3 GLY 29 HA3 GLY 29 5.096 0.767 -11.553 197 H ASP 30 H ASP 30 4.589 -1.065 -9.483 198 HA ASP 30 HA ASP 30 1.854 -1.029 -8.757 199 HB2 ASP 30 HB2 ASP 30 4.290 -2.147 -7.707 200 HB3 ASP 30 HB3 ASP 30 3.413 -1.339 -6.411 201 H GLU 31 H GLU 31 4.432 0.324 -6.764 202 HA GLU 31 HA GLU 31 2.836 2.487 -5.844 203 HB2 GLU 31 HB2 GLU 31 4.942 3.212 -4.763 204 HB3 GLU 31 HB3 GLU 31 4.619 1.508 -4.467 205 HG2 GLU 31 HG2 GLU 31 6.499 0.871 -5.476 206 HG3 GLU 31 HG3 GLU 31 6.205 1.915 -6.871 207 H LEU 32 H LEU 32 4.279 1.815 -8.652 208 HA LEU 32 HA LEU 32 5.461 4.295 -9.367 209 HB2 LEU 32 HB2 LEU 32 5.646 1.603 -9.848 210 HB3 LEU 32 HB3 LEU 32 5.096 2.269 -11.337 211 HG LEU 32 HG LEU 32 7.669 2.477 -10.008 212 HD11 LEU 32 HD11 LEU 32 8.413 1.682 -11.971 213 HD12 LEU 32 HD12 LEU 32 7.223 2.586 -12.913 214 HD13 LEU 32 HD13 LEU 32 6.745 1.111 -12.056 215 HD21 LEU 32 HD21 LEU 32 8.356 4.450 -11.160 216 HD22 LEU 32 HD22 LEU 32 6.931 4.851 -10.204 217 HD23 LEU 32 HD23 LEU 32 6.792 4.578 -11.930 218 H GLY 33 H GLY 33 2.429 2.773 -9.828 219 HA2 GLY 33 HA2 GLY 33 0.495 3.624 -10.783 220 HA3 GLY 33 HA3 GLY 33 1.419 5.030 -11.240 221 H CYS 34 H CYS 34 0.163 4.824 -13.298 222 HA CYS 34 HA CYS 34 1.403 2.782 -15.004 223 HB2 CYS 34 HB2 CYS 34 -1.273 3.082 -14.447 224 HB3 CYS 34 HB3 CYS 34 -1.096 3.835 -16.028 225 H PHE 35 H PHE 35 2.884 3.669 -16.252 226 HA PHE 35 HA PHE 35 2.426 6.348 -17.389 227 HB2 PHE 35 HB2 PHE 35 4.980 4.832 -17.765 228 HB3 PHE 35 HB3 PHE 35 4.720 6.564 -17.707 229 HD1 PHE 35 HD1 PHE 35 4.527 3.553 -15.531 230 HD2 PHE 35 HD2 PHE 35 5.376 7.710 -15.841 231 HE1 PHE 35 HE1 PHE 35 5.294 3.568 -13.201 232 HE2 PHE 35 HE2 PHE 35 6.158 7.726 -13.511 233 HZ PHE 35 HZ PHE 35 6.105 5.665 -12.199 234 H VAL 36 H VAL 36 2.567 6.715 -19.611 235 HA VAL 36 HA VAL 36 2.819 4.360 -21.326 236 HB VAL 36 HB VAL 36 0.776 6.478 -21.949 237 HG11 VAL 36 HG11 VAL 36 1.941 4.699 -23.584 238 HG12 VAL 36 HG12 VAL 36 0.263 5.218 -23.772 239 HG13 VAL 36 HG13 VAL 36 0.628 3.697 -22.965 240 HG21 VAL 36 HG21 VAL 36 -0.879 5.402 -20.824 241 HG22 VAL 36 HG22 VAL 36 0.463 4.936 -19.783 242 HG23 VAL 36 HG23 VAL 36 -0.123 3.836 -21.006 243 H GLY 37 H GLY 37 4.374 4.648 -22.665 244 HA2 GLY 37 HA2 GLY 37 5.932 5.651 -24.032 245 HA3 GLY 37 HA3 GLY 37 4.687 6.840 -24.388 246 H THR 38 H THR 38 5.556 6.496 -21.087 247 HA THR 38 HA THR 38 6.818 9.130 -21.137 248 HB THR 38 HB THR 38 5.956 7.499 -18.744 249 HG1 THR 38 HG1 THR 38 4.062 7.866 -19.634 250 HG21 THR 38 HG21 THR 38 6.250 9.305 -17.427 251 HG22 THR 38 HG22 THR 38 5.911 10.450 -18.725 252 HG23 THR 38 HG23 THR 38 7.480 9.671 -18.624 253 H ALA 39 H ALA 39 8.518 9.335 -19.222 254 HA ALA 39 HA ALA 39 10.814 7.950 -19.991 255 HB1 ALA 39 HB1 ALA 39 10.801 9.023 -17.252 256 HB2 ALA 39 HB2 ALA 39 10.337 10.165 -18.514 257 HB3 ALA 39 HB3 ALA 39 11.897 9.345 -18.596 258 H GLU 40 H GLU 40 8.796 7.546 -17.080 259 HA GLU 40 HA GLU 40 10.263 5.337 -16.086 260 HB2 GLU 40 HB2 GLU 40 7.876 6.829 -15.373 261 HB3 GLU 40 HB3 GLU 40 7.717 5.113 -15.047 262 HG2 GLU 40 HG2 GLU 40 8.632 5.723 -13.082 263 HG3 GLU 40 HG3 GLU 40 10.125 5.490 -13.991 264 H ALA 41 H ALA 41 8.747 5.399 -18.913 265 HA ALA 41 HA ALA 41 7.754 2.650 -18.691 266 HB1 ALA 41 HB1 ALA 41 5.942 3.156 -20.047 267 HB2 ALA 41 HB2 ALA 41 6.712 4.615 -20.656 268 HB3 ALA 41 HB3 ALA 41 6.091 4.571 -19.011 269 H LEU 42 H LEU 42 10.114 4.475 -20.041 270 HA LEU 42 HA LEU 42 10.222 3.661 -22.701 271 HB2 LEU 42 HB2 LEU 42 12.688 4.151 -22.431 272 HB3 LEU 42 HB3 LEU 42 11.584 5.464 -22.092 273 HG LEU 42 HG LEU 42 12.328 5.685 -19.992 274 HD11 LEU 42 HD11 LEU 42 12.694 2.741 -19.531 275 HD12 LEU 42 HD12 LEU 42 11.115 3.512 -19.414 276 HD13 LEU 42 HD13 LEU 42 12.414 4.019 -18.352 277 HD21 LEU 42 HD21 LEU 42 14.437 3.786 -20.993 278 HD22 LEU 42 HD22 LEU 42 14.585 4.783 -19.545 279 HD23 LEU 42 HD23 LEU 42 14.431 5.545 -21.129 280 H ARG 43 H ARG 43 10.510 1.847 -19.900 281 HA ARG 43 HA ARG 43 12.535 0.065 -20.225 282 HB2 ARG 43 HB2 ARG 43 10.114 0.195 -18.786 283 HB3 ARG 43 HB3 ARG 43 10.264 -1.412 -19.463 284 HG2 ARG 43 HG2 ARG 43 11.213 -1.241 -17.212 285 HG3 ARG 43 HG3 ARG 43 12.405 -1.715 -18.411 286 HD2 ARG 43 HD2 ARG 43 13.539 0.260 -18.258 287 HD3 ARG 43 HD3 ARG 43 12.100 1.179 -17.818 288 HE ARG 43 HE ARG 43 12.604 0.815 -15.621 289 HH11 ARG 43 HH11 ARG 43 14.320 -1.543 -17.541 290 HH12 ARG 43 HH12 ARG 43 15.208 -2.174 -16.196 291 HH21 ARG 43 HH21 ARG 43 13.769 -0.013 -13.865 292 HH22 ARG 43 HH22 ARG 43 14.896 -1.306 -14.105 293 H CYS 44 H CYS 44 9.808 0.391 -22.278 294 HA CYS 44 HA CYS 44 9.762 -2.240 -23.267 295 HB2 CYS 44 HB2 CYS 44 8.573 0.320 -24.020 296 HB3 CYS 44 HB3 CYS 44 8.639 -0.911 -25.270 297 H GLN 45 H GLN 45 11.874 0.339 -23.696 298 HA GLN 45 HA GLN 45 12.809 -0.110 -26.295 299 HB2 GLN 45 HB2 GLN 45 13.603 1.397 -23.939 300 HB3 GLN 45 HB3 GLN 45 14.986 0.780 -24.822 301 HG2 GLN 45 HG2 GLN 45 14.801 2.588 -26.093 302 HG3 GLN 45 HG3 GLN 45 13.393 1.806 -26.810 303 HE21 GLN 45 HE21 GLN 45 14.407 3.973 -24.222 304 HE22 GLN 45 HE22 GLN 45 12.933 4.871 -24.152 305 H GLU 46 H GLU 46 13.058 -1.761 -23.383 306 HA GLU 46 HA GLU 46 15.458 -3.261 -23.964 307 HB2 GLU 46 HB2 GLU 46 15.202 -4.279 -21.883 308 HB3 GLU 46 HB3 GLU 46 14.468 -2.706 -21.621 309 HG2 GLU 46 HG2 GLU 46 12.824 -3.914 -20.703 310 HG3 GLU 46 HG3 GLU 46 12.300 -4.119 -22.374 311 H GLU 47 H GLU 47 12.160 -3.365 -24.786 312 HA GLU 47 HA GLU 47 11.992 -6.191 -25.309 313 HB2 GLU 47 HB2 GLU 47 10.238 -3.831 -25.661 314 HB3 GLU 47 HB3 GLU 47 9.968 -5.165 -26.768 315 HG2 GLU 47 HG2 GLU 47 10.228 -5.963 -23.970 316 HG3 GLU 47 HG3 GLU 47 8.855 -4.907 -24.301 317 H ASN 48 H ASN 48 13.863 -3.981 -26.733 318 HA ASN 48 HA ASN 48 13.312 -4.581 -29.473 319 HB2 ASN 48 HB2 ASN 48 14.728 -2.547 -28.042 320 HB3 ASN 48 HB3 ASN 48 15.799 -3.260 -29.245 321 HD21 ASN 48 HD21 ASN 48 13.321 -1.070 -28.684 322 HD22 ASN 48 HD22 ASN 48 12.924 -0.707 -30.325 323 H TYR 49 H TYR 49 14.944 -6.159 -27.033 324 HA TYR 49 HA TYR 49 17.107 -7.161 -28.706 325 HB2 TYR 49 HB2 TYR 49 16.407 -7.283 -25.824 326 HB3 TYR 49 HB3 TYR 49 17.294 -8.664 -26.477 327 HD1 TYR 49 HD1 TYR 49 19.213 -7.656 -28.276 328 HD2 TYR 49 HD2 TYR 49 17.802 -5.839 -24.697 329 HE1 TYR 49 HE1 TYR 49 21.312 -6.388 -28.098 330 HE2 TYR 49 HE2 TYR 49 19.897 -4.567 -24.510 331 HH TYR 49 HH TYR 49 21.933 -4.016 -26.873 332 H LEU 50 H LEU 50 14.884 -8.951 -26.569 333 HA LEU 50 HA LEU 50 14.226 -10.717 -28.819 334 HB2 LEU 50 HB2 LEU 50 15.908 -11.387 -26.632 335 HB3 LEU 50 HB3 LEU 50 14.413 -12.280 -26.438 336 HG LEU 50 HG LEU 50 15.036 -12.635 -29.117 337 HD11 LEU 50 HD11 LEU 50 17.248 -11.723 -28.828 338 HD12 LEU 50 HD12 LEU 50 17.361 -13.467 -29.066 339 HD13 LEU 50 HD13 LEU 50 17.542 -12.784 -27.450 340 HD21 LEU 50 HD21 LEU 50 14.374 -14.172 -26.989 341 HD22 LEU 50 HD22 LEU 50 16.040 -14.682 -27.263 342 HD23 LEU 50 HD23 LEU 50 14.854 -14.807 -28.562 343 HA PRO 51 HA PRO 51 10.069 -9.674 -27.453 344 HB2 PRO 51 HB2 PRO 51 9.703 -12.301 -28.863 345 HB3 PRO 51 HB3 PRO 51 8.693 -10.846 -28.926 346 HG2 PRO 51 HG2 PRO 51 10.365 -11.282 -30.896 347 HG3 PRO 51 HG3 PRO 51 10.279 -9.658 -30.177 348 HD2 PRO 51 HD2 PRO 51 12.356 -11.781 -29.804 349 HD3 PRO 51 HD3 PRO 51 12.555 -10.021 -29.942 350 H SER 52 H SER 52 8.992 -10.144 -25.626 351 HA SER 52 HA SER 52 9.355 -12.809 -24.420 352 HB2 SER 52 HB2 SER 52 9.090 -10.378 -22.685 353 HB3 SER 52 HB3 SER 52 9.838 -11.934 -22.322 354 HG SER 52 HG SER 52 11.493 -10.514 -22.635 355 HA PRO 53 HA PRO 53 4.946 -12.574 -23.968 356 HB2 PRO 53 HB2 PRO 53 4.501 -14.720 -22.460 357 HB3 PRO 53 HB3 PRO 53 5.195 -14.885 -24.079 358 HG2 PRO 53 HG2 PRO 53 6.530 -15.046 -21.418 359 HG3 PRO 53 HG3 PRO 53 6.853 -15.970 -22.895 360 HD2 PRO 53 HD2 PRO 53 8.278 -13.718 -21.999 361 HD3 PRO 53 HD3 PRO 53 8.360 -14.434 -23.621 362 H CYS 54 H CYS 54 3.202 -12.605 -22.250 363 HA CYS 54 HA CYS 54 4.154 -11.391 -19.785 364 HB2 CYS 54 HB2 CYS 54 3.046 -9.818 -21.452 365 HB3 CYS 54 HB3 CYS 54 1.550 -10.681 -21.112 366 H GLN 55 H GLN 55 2.938 -11.768 -17.896 367 HA GLN 55 HA GLN 55 2.041 -14.365 -17.540 368 HB2 GLN 55 HB2 GLN 55 2.815 -12.891 -15.722 369 HB3 GLN 55 HB3 GLN 55 1.338 -11.949 -15.868 370 HG2 GLN 55 HG2 GLN 55 0.446 -14.549 -15.552 371 HG3 GLN 55 HG3 GLN 55 1.830 -14.430 -14.469 372 HE21 GLN 55 HE21 GLN 55 -1.018 -12.537 -15.407 373 HE22 GLN 55 HE22 GLN 55 -1.405 -12.016 -13.810 374 H SER 56 H SER 56 -0.207 -11.656 -16.959 375 HA SER 56 HA SER 56 -2.077 -12.445 -18.886 376 HB2 SER 56 HB2 SER 56 -2.151 -14.369 -17.168 377 HB3 SER 56 HB3 SER 56 -2.992 -13.217 -16.131 378 HG SER 56 HG SER 56 -4.367 -14.561 -17.482 379 H GLY 57 H GLY 57 -4.342 -11.511 -18.362 380 HA2 GLY 57 HA2 GLY 57 -4.014 -8.737 -17.884 381 HA3 GLY 57 HA3 GLY 57 -5.547 -9.573 -18.084 382 H GLN 58 H GLN 58 -5.017 -7.420 -16.282 383 HA GLN 58 HA GLN 58 -5.213 -8.770 -13.685 384 HB2 GLN 58 HB2 GLN 58 -3.908 -6.315 -14.632 385 HB3 GLN 58 HB3 GLN 58 -4.748 -6.182 -13.099 386 HG2 GLN 58 HG2 GLN 58 -3.311 -8.551 -12.910 387 HG3 GLN 58 HG3 GLN 58 -2.224 -7.425 -13.719 388 HE21 GLN 58 HE21 GLN 58 -1.402 -5.707 -12.618 389 HE22 GLN 58 HE22 GLN 58 -1.606 -5.475 -10.918 390 H LYS 59 H LYS 59 -6.915 -8.541 -12.525 391 HA LYS 59 HA LYS 59 -9.353 -8.323 -12.836 392 HB2 LYS 59 HB2 LYS 59 -8.755 -8.206 -10.582 393 HB3 LYS 59 HB3 LYS 59 -7.919 -6.679 -10.787 394 HG2 LYS 59 HG2 LYS 59 -10.324 -5.758 -11.257 395 HG3 LYS 59 HG3 LYS 59 -10.826 -7.219 -10.411 396 HD2 LYS 59 HD2 LYS 59 -8.748 -6.103 -8.880 397 HD3 LYS 59 HD3 LYS 59 -9.792 -4.758 -9.345 398 HE2 LYS 59 HE2 LYS 59 -11.727 -5.921 -8.453 399 HE3 LYS 59 HE3 LYS 59 -10.727 -7.318 -8.054 400 HZ1 LYS 59 HZ1 LYS 59 -10.059 -4.673 -6.947 401 HZ2 LYS 59 HZ2 LYS 59 -9.716 -6.208 -6.327 402 HZ3 LYS 59 HZ3 LYS 59 -11.288 -5.594 -6.237 403 HA PRO 60 HA PRO 60 -9.529 -4.973 -15.936 404 HB2 PRO 60 HB2 PRO 60 -12.009 -6.487 -16.476 405 HB3 PRO 60 HB3 PRO 60 -10.786 -5.883 -17.596 406 HG2 PRO 60 HG2 PRO 60 -10.946 -8.467 -16.882 407 HG3 PRO 60 HG3 PRO 60 -9.427 -7.665 -17.266 408 HD2 PRO 60 HD2 PRO 60 -10.460 -8.543 -14.656 409 HD3 PRO 60 HD3 PRO 60 -8.795 -8.269 -15.188 410 H CYS 61 H CYS 61 -11.071 -3.501 -16.618 411 HA CYS 61 HA CYS 61 -13.520 -3.077 -15.224 412 HB2 CYS 61 HB2 CYS 61 -12.863 -0.690 -14.529 413 HB3 CYS 61 HB3 CYS 61 -12.396 -2.037 -13.508 414 H GLY 62 H GLY 62 -14.722 -1.168 -15.847 415 HA2 GLY 62 HA2 GLY 62 -14.528 -0.803 -18.659 416 HA3 GLY 62 HA3 GLY 62 -15.864 -0.385 -17.616 417 H SER 63 H SER 63 -12.659 0.704 -16.840 418 HA SER 63 HA SER 63 -13.429 3.359 -17.650 419 HB2 SER 63 HB2 SER 63 -12.894 2.870 -15.186 420 HB3 SER 63 HB3 SER 63 -11.235 2.756 -15.718 421 HG SER 63 HG SER 63 -12.805 4.965 -15.398 422 H GLY 64 H GLY 64 -12.515 1.474 -19.470 423 HA2 GLY 64 HA2 GLY 64 -11.258 1.842 -21.413 424 HA3 GLY 64 HA3 GLY 64 -10.170 2.823 -20.470 425 H GLY 65 H GLY 65 -10.717 0.001 -18.821 426 HA2 GLY 65 HA2 GLY 65 -9.316 -2.026 -19.948 427 HA3 GLY 65 HA3 GLY 65 -8.087 -0.928 -19.437 428 H ARG 66 H ARG 66 -7.177 -2.346 -18.048 429 HA ARG 66 HA ARG 66 -8.796 -3.479 -16.008 430 HB2 ARG 66 HB2 ARG 66 -5.825 -3.774 -16.141 431 HB3 ARG 66 HB3 ARG 66 -7.009 -4.911 -15.534 432 HG2 ARG 66 HG2 ARG 66 -6.489 -4.222 -18.414 433 HG3 ARG 66 HG3 ARG 66 -6.090 -5.733 -17.593 434 HD2 ARG 66 HD2 ARG 66 -8.572 -5.946 -17.123 435 HD3 ARG 66 HD3 ARG 66 -8.803 -4.647 -18.289 436 HE ARG 66 HE ARG 66 -8.243 -6.102 -19.996 437 HH11 ARG 66 HH11 ARG 66 -7.696 -7.634 -16.900 438 HH12 ARG 66 HH12 ARG 66 -7.508 -9.215 -17.579 439 HH21 ARG 66 HH21 ARG 66 -7.978 -8.181 -20.883 440 HH22 ARG 66 HH22 ARG 66 -7.660 -9.524 -19.837 441 H CYS 67 H CYS 67 -7.287 -3.683 -13.797 442 HA CYS 67 HA CYS 67 -7.396 -0.998 -12.826 443 HB2 CYS 67 HB2 CYS 67 -8.241 -2.844 -11.429 444 HB3 CYS 67 HB3 CYS 67 -6.623 -3.521 -11.372 445 H ALA 68 H ALA 68 -5.661 -0.957 -14.726 446 HA ALA 68 HA ALA 68 -3.202 -1.601 -14.959 447 HB1 ALA 68 HB1 ALA 68 -2.570 0.870 -15.233 448 HB2 ALA 68 HB2 ALA 68 -4.268 1.160 -14.910 449 HB3 ALA 68 HB3 ALA 68 -3.792 0.155 -16.272 450 H ALA 69 H ALA 69 -3.609 1.104 -12.520 451 HA ALA 69 HA ALA 69 -1.742 -0.151 -10.747 452 HB1 ALA 69 HB1 ALA 69 -0.225 1.768 -10.779 453 HB2 ALA 69 HB2 ALA 69 -1.119 2.458 -12.144 454 HB3 ALA 69 HB3 ALA 69 -0.237 0.936 -12.331 455 H ALA 70 H ALA 70 -1.944 0.663 -8.742 456 HA ALA 70 HA ALA 70 -3.543 1.375 -7.077 457 HB1 ALA 70 HB1 ALA 70 -1.551 3.404 -7.752 458 HB2 ALA 70 HB2 ALA 70 -2.001 2.720 -6.188 459 HB3 ALA 70 HB3 ALA 70 -2.980 4.013 -6.903 460 H GLY 71 H GLY 71 -5.359 1.138 -8.623 461 HA2 GLY 71 HA2 GLY 71 -7.353 1.950 -9.430 462 HA3 GLY 71 HA3 GLY 71 -7.055 3.363 -8.468 463 H ILE 72 H ILE 72 -6.343 1.798 -11.408 464 HA ILE 72 HA ILE 72 -6.410 4.161 -12.944 465 HB ILE 72 HB ILE 72 -3.827 2.737 -12.524 466 HG12 ILE 72 HG12 ILE 72 -4.667 5.071 -11.705 467 HG13 ILE 72 HG13 ILE 72 -2.986 4.758 -12.105 468 HG21 ILE 72 HG21 ILE 72 -3.809 2.368 -14.800 469 HG22 ILE 72 HG22 ILE 72 -3.028 3.929 -14.666 470 HG23 ILE 72 HG23 ILE 72 -4.716 3.828 -15.158 471 HD11 ILE 72 HD11 ILE 72 -4.491 5.603 -14.426 472 HD12 ILE 72 HD12 ILE 72 -2.995 6.242 -13.729 473 HD13 ILE 72 HD13 ILE 72 -4.556 6.786 -13.109 474 H CYS 73 H CYS 73 -7.990 3.359 -14.123 475 HA CYS 73 HA CYS 73 -7.851 0.645 -14.963 476 HB2 CYS 73 HB2 CYS 73 -9.916 1.729 -14.142 477 HB3 CYS 73 HB3 CYS 73 -9.951 2.706 -15.585 478 H CYS 74 H CYS 74 -6.250 0.426 -16.361 479 HA CYS 74 HA CYS 74 -6.220 2.211 -18.692 480 HB2 CYS 74 HB2 CYS 74 -4.547 3.061 -17.330 481 HB3 CYS 74 HB3 CYS 74 -4.037 1.503 -16.792 482 H SER 75 H SER 75 -5.477 1.519 -20.490 483 HA SER 75 HA SER 75 -4.622 -1.259 -20.780 484 HB2 SER 75 HB2 SER 75 -6.521 0.275 -22.575 485 HB3 SER 75 HB3 SER 75 -5.921 -1.342 -22.911 486 HG SER 75 HG SER 75 -7.800 -0.514 -21.071 487 HA PRO 76 HA PRO 76 -1.743 0.788 -23.664 488 HB2 PRO 76 HB2 PRO 76 -2.419 0.383 -26.322 489 HB3 PRO 76 HB3 PRO 76 -1.630 -0.818 -25.295 490 HG2 PRO 76 HG2 PRO 76 -4.237 -0.942 -26.419 491 HG3 PRO 76 HG3 PRO 76 -3.470 -2.098 -25.320 492 HD2 PRO 76 HD2 PRO 76 -5.405 0.064 -24.730 493 HD3 PRO 76 HD3 PRO 76 -5.095 -1.455 -23.874 494 H ASP 77 H ASP 77 -5.020 1.419 -24.616 495 HA ASP 77 HA ASP 77 -4.829 3.667 -26.206 496 HB2 ASP 77 HB2 ASP 77 -6.867 2.089 -25.145 497 HB3 ASP 77 HB3 ASP 77 -7.172 3.686 -24.470 498 H GLY 78 H GLY 78 -5.428 3.430 -22.718 499 HA2 GLY 78 HA2 GLY 78 -3.668 5.493 -22.114 500 HA3 GLY 78 HA3 GLY 78 -5.273 6.168 -22.141 501 H CYS 79 H CYS 79 -3.572 6.038 -19.854 502 HA CYS 79 HA CYS 79 -5.079 4.145 -18.224 503 HB2 CYS 79 HB2 CYS 79 -2.716 5.612 -17.175 504 HB3 CYS 79 HB3 CYS 79 -3.413 4.124 -16.600 505 H GLU 80 H GLU 80 -6.168 4.822 -16.539 506 HA GLU 80 HA GLU 80 -6.005 7.587 -15.789 507 HB2 GLU 80 HB2 GLU 80 -8.417 7.936 -16.057 508 HB3 GLU 80 HB3 GLU 80 -7.634 7.588 -17.592 509 HG2 GLU 80 HG2 GLU 80 -8.677 5.592 -17.839 510 HG3 GLU 80 HG3 GLU 80 -8.766 5.295 -16.105 511 H GLU 81 H GLU 81 -6.371 7.917 -13.669 512 HA GLU 81 HA GLU 81 -6.377 5.876 -11.868 513 HB2 GLU 81 HB2 GLU 81 -7.391 7.700 -10.295 514 HB3 GLU 81 HB3 GLU 81 -5.800 7.940 -10.980 515 HG2 GLU 81 HG2 GLU 81 -7.531 9.031 -12.835 516 HG3 GLU 81 HG3 GLU 81 -8.140 9.508 -11.269 517 H ASP 82 H ASP 82 -7.834 4.344 -11.618 518 HA ASP 82 HA ASP 82 -10.572 4.981 -12.198 519 HB2 ASP 82 HB2 ASP 82 -10.991 2.528 -12.279 520 HB3 ASP 82 HB3 ASP 82 -9.855 3.129 -13.476 521 HA PRO 83 HA PRO 83 -11.085 5.387 -7.742 522 HB2 PRO 83 HB2 PRO 83 -13.780 6.011 -8.902 523 HB3 PRO 83 HB3 PRO 83 -12.890 6.895 -7.658 524 HG2 PRO 83 HG2 PRO 83 -12.960 7.881 -10.071 525 HG3 PRO 83 HG3 PRO 83 -11.413 7.807 -9.215 526 HD2 PRO 83 HD2 PRO 83 -12.464 5.962 -11.324 527 HD3 PRO 83 HD3 PRO 83 -10.855 6.679 -11.175 528 H ALA 84 H ALA 84 -12.409 3.525 -10.138 529 HA ALA 84 HA ALA 84 -14.246 1.897 -8.795 530 HB1 ALA 84 HB1 ALA 84 -14.477 1.769 -11.083 531 HB2 ALA 84 HB2 ALA 84 -13.348 0.427 -10.869 532 HB3 ALA 84 HB3 ALA 84 -12.747 2.025 -11.331 533 H CYS 85 H CYS 85 -10.928 2.242 -8.957 534 HA CYS 85 HA CYS 85 -10.477 -0.304 -7.713 535 HB2 CYS 85 HB2 CYS 85 -9.224 0.643 -9.970 536 HB3 CYS 85 HB3 CYS 85 -8.040 0.762 -8.667 537 H ASP 86 H ASP 86 -9.576 3.192 -7.175 538 HA ASP 86 HA ASP 86 -9.223 2.723 -4.398 539 HB2 ASP 86 HB2 ASP 86 -7.431 1.230 -5.508 540 HB3 ASP 86 HB3 ASP 86 -6.569 2.747 -5.709 541 HA PRO 87 HA PRO 87 -6.547 6.562 -5.031 542 HB2 PRO 87 HB2 PRO 87 -6.352 7.505 -7.669 543 HB3 PRO 87 HB3 PRO 87 -5.187 6.524 -6.807 544 HG2 PRO 87 HG2 PRO 87 -6.614 5.687 -9.000 545 HG3 PRO 87 HG3 PRO 87 -5.854 4.640 -7.800 546 HD2 PRO 87 HD2 PRO 87 -8.704 5.537 -7.939 547 HD3 PRO 87 HD3 PRO 87 -8.065 3.914 -7.670 548 H GLU 88 H GLU 88 -8.380 7.260 -7.864 549 HA GLU 88 HA GLU 88 -9.270 9.788 -6.814 550 HB2 GLU 88 HB2 GLU 88 -8.709 9.136 -9.297 551 HB3 GLU 88 HB3 GLU 88 -10.304 8.417 -9.265 552 HG2 GLU 88 HG2 GLU 88 -11.382 10.401 -9.276 553 HG3 GLU 88 HG3 GLU 88 -10.113 11.213 -8.362 554 H ALA 89 H ALA 89 -9.814 6.840 -6.269 555 HA ALA 89 HA ALA 89 -12.365 6.046 -6.624 556 HB1 ALA 89 HB1 ALA 89 -11.255 4.778 -4.356 557 HB2 ALA 89 HB2 ALA 89 -10.026 5.051 -5.582 558 HB3 ALA 89 HB3 ALA 89 -11.483 4.175 -5.993 559 H ALA 90 H ALA 90 -13.539 5.091 -5.230 560 HA ALA 90 HA ALA 90 -14.914 6.734 -3.289 561 HB1 ALA 90 HB1 ALA 90 -15.562 4.320 -4.971 562 HB2 ALA 90 HB2 ALA 90 -16.221 5.954 -5.172 563 HB3 ALA 90 HB3 ALA 90 -16.684 4.982 -3.773 564 H PHE 91 H PHE 91 -16.184 4.361 -2.141 565 HA PHE 91 HA PHE 91 -14.059 3.450 -0.419 566 HB2 PHE 91 HB2 PHE 91 -16.671 3.684 0.046 567 HB3 PHE 91 HB3 PHE 91 -16.712 2.045 -0.591 568 HD1 PHE 91 HD1 PHE 91 -14.165 3.704 1.554 569 HD2 PHE 91 HD2 PHE 91 -17.148 0.686 1.230 570 HE1 PHE 91 HE1 PHE 91 -13.520 2.834 3.763 571 HE2 PHE 91 HE2 PHE 91 -16.509 -0.188 3.438 572 HZ PHE 91 HZ PHE 91 -14.693 0.886 4.708 573 H SER 92 H SER 92 -13.249 3.027 -2.900 574 HA SER 92 HA SER 92 -13.760 0.288 -3.720 575 HB2 SER 92 HB2 SER 92 -13.853 1.688 -5.605 576 HB3 SER 92 HB3 SER 92 -12.502 2.701 -5.072 577 HG SER 92 HG SER 92 -12.511 0.295 -6.440 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 -0.118 -15.906 -23.318 2 H2 ALA 1 H2 ALA 1 1.129 -17.040 -23.638 3 H3 ALA 1 H3 ALA 1 0.793 -15.789 -24.765 4 HA ALA 1 HA ALA 1 2.682 -15.125 -23.678 5 HB1 ALA 1 HB1 ALA 1 1.877 -13.176 -22.337 6 HB2 ALA 1 HB2 ALA 1 0.244 -13.815 -22.497 7 HB3 ALA 1 HB3 ALA 1 1.147 -13.326 -23.930 8 H VAL 2 H VAL 2 0.333 -16.531 -21.513 9 HA VAL 2 HA VAL 2 0.421 -17.258 -19.357 10 HB VAL 2 HB VAL 2 2.298 -18.746 -18.847 11 HG11 VAL 2 HG11 VAL 2 2.110 -19.769 -21.435 12 HG12 VAL 2 HG12 VAL 2 0.614 -18.871 -21.181 13 HG13 VAL 2 HG13 VAL 2 1.076 -20.149 -20.057 14 HG21 VAL 2 HG21 VAL 2 4.224 -18.943 -20.170 15 HG22 VAL 2 HG22 VAL 2 4.011 -17.206 -19.956 16 HG23 VAL 2 HG23 VAL 2 3.536 -17.973 -21.472 17 H LEU 3 H LEU 3 2.192 -17.496 -17.392 18 HA LEU 3 HA LEU 3 2.588 -14.841 -16.556 19 HB2 LEU 3 HB2 LEU 3 2.639 -17.525 -15.366 20 HB3 LEU 3 HB3 LEU 3 3.733 -16.375 -14.624 21 HG LEU 3 HG LEU 3 1.991 -15.808 -13.340 22 HD11 LEU 3 HD11 LEU 3 0.631 -14.063 -14.195 23 HD12 LEU 3 HD12 LEU 3 0.842 -14.651 -15.851 24 HD13 LEU 3 HD13 LEU 3 2.212 -13.957 -14.983 25 HD21 LEU 3 HD21 LEU 3 0.795 -17.867 -14.320 26 HD22 LEU 3 HD22 LEU 3 -0.059 -16.712 -15.341 27 HD23 LEU 3 HD23 LEU 3 -0.196 -16.605 -13.587 28 H ASP 4 H ASP 4 4.667 -14.577 -15.089 29 HA ASP 4 HA ASP 4 6.830 -14.576 -16.913 30 HB2 ASP 4 HB2 ASP 4 6.244 -12.676 -15.321 31 HB3 ASP 4 HB3 ASP 4 6.937 -13.675 -14.061 32 H LEU 5 H LEU 5 6.847 -15.385 -13.522 33 HA LEU 5 HA LEU 5 8.642 -17.569 -13.982 34 HB2 LEU 5 HB2 LEU 5 9.297 -17.469 -11.780 35 HB3 LEU 5 HB3 LEU 5 8.852 -15.818 -12.088 36 HG LEU 5 HG LEU 5 8.115 -16.403 -9.907 37 HD11 LEU 5 HD11 LEU 5 6.376 -15.459 -11.810 38 HD12 LEU 5 HD12 LEU 5 6.395 -15.180 -10.072 39 HD13 LEU 5 HD13 LEU 5 5.483 -16.516 -10.732 40 HD21 LEU 5 HD21 LEU 5 6.201 -18.225 -9.863 41 HD22 LEU 5 HD22 LEU 5 7.901 -18.576 -9.550 42 HD23 LEU 5 HD23 LEU 5 7.224 -18.880 -11.143 43 H ASP 6 H ASP 6 5.658 -16.999 -12.409 44 HA ASP 6 HA ASP 6 4.333 -19.215 -13.427 45 HB2 ASP 6 HB2 ASP 6 5.794 -19.612 -11.085 46 HB3 ASP 6 HB3 ASP 6 4.125 -19.489 -10.590 47 H VAL 7 H VAL 7 4.523 -16.935 -10.792 48 HA VAL 7 HA VAL 7 1.722 -16.196 -11.222 49 HB VAL 7 HB VAL 7 1.585 -15.497 -8.903 50 HG11 VAL 7 HG11 VAL 7 2.642 -18.275 -9.388 51 HG12 VAL 7 HG12 VAL 7 0.963 -17.755 -9.245 52 HG13 VAL 7 HG13 VAL 7 2.011 -17.753 -7.826 53 HG21 VAL 7 HG21 VAL 7 3.351 -15.375 -7.458 54 HG22 VAL 7 HG22 VAL 7 4.198 -15.037 -8.967 55 HG23 VAL 7 HG23 VAL 7 4.248 -16.656 -8.271 56 H ARG 8 H ARG 8 4.723 -14.985 -11.872 57 HA ARG 8 HA ARG 8 4.379 -12.308 -11.019 58 HB2 ARG 8 HB2 ARG 8 6.430 -13.839 -12.520 59 HB3 ARG 8 HB3 ARG 8 6.468 -12.098 -12.574 60 HG2 ARG 8 HG2 ARG 8 6.926 -11.914 -10.307 61 HG3 ARG 8 HG3 ARG 8 6.342 -13.554 -9.992 62 HD2 ARG 8 HD2 ARG 8 8.238 -14.481 -11.181 63 HD3 ARG 8 HD3 ARG 8 8.795 -12.873 -11.602 64 HE ARG 8 HE ARG 8 8.649 -13.764 -8.801 65 HH11 ARG 8 HH11 ARG 8 10.476 -12.470 -11.493 66 HH12 ARG 8 HH12 ARG 8 11.864 -12.103 -10.528 67 HH21 ARG 8 HH21 ARG 8 10.489 -13.294 -7.547 68 HH22 ARG 8 HH22 ARG 8 11.873 -12.570 -8.295 69 H THR 9 H THR 9 5.333 -10.786 -13.019 70 HA THR 9 HA THR 9 3.501 -11.056 -15.244 71 HB THR 9 HB THR 9 3.878 -8.334 -14.783 72 HG1 THR 9 HG1 THR 9 2.812 -9.355 -12.419 73 HG21 THR 9 HG21 THR 9 1.677 -10.181 -14.883 74 HG22 THR 9 HG22 THR 9 1.765 -8.505 -15.418 75 HG23 THR 9 HG23 THR 9 1.395 -8.882 -13.735 76 H CYS 10 H CYS 10 4.192 -8.856 -16.683 77 HA CYS 10 HA CYS 10 6.378 -9.581 -18.166 78 HB2 CYS 10 HB2 CYS 10 4.710 -7.217 -17.927 79 HB3 CYS 10 HB3 CYS 10 6.364 -6.790 -18.353 80 H LEU 11 H LEU 11 8.366 -7.984 -18.505 81 HA LEU 11 HA LEU 11 10.003 -8.306 -16.197 82 HB2 LEU 11 HB2 LEU 11 10.460 -8.052 -18.892 83 HB3 LEU 11 HB3 LEU 11 11.029 -6.514 -18.272 84 HG LEU 11 HG LEU 11 12.580 -7.656 -16.777 85 HD11 LEU 11 HD11 LEU 11 12.908 -10.115 -17.036 86 HD12 LEU 11 HD12 LEU 11 11.392 -10.164 -17.937 87 HD13 LEU 11 HD13 LEU 11 11.399 -9.657 -16.248 88 HD21 LEU 11 HD21 LEU 11 12.649 -7.886 -19.675 89 HD22 LEU 11 HD22 LEU 11 13.650 -9.091 -18.867 90 HD23 LEU 11 HD23 LEU 11 13.905 -7.375 -18.547 91 HA PRO 12 HA PRO 12 9.439 -4.689 -13.810 92 HB2 PRO 12 HB2 PRO 12 12.386 -4.363 -13.843 93 HB3 PRO 12 HB3 PRO 12 11.266 -4.434 -12.486 94 HG2 PRO 12 HG2 PRO 12 12.853 -6.495 -13.182 95 HG3 PRO 12 HG3 PRO 12 11.272 -6.686 -12.406 96 HD2 PRO 12 HD2 PRO 12 12.093 -7.234 -15.189 97 HD3 PRO 12 HD3 PRO 12 10.733 -7.900 -14.272 98 H CYS 13 H CYS 13 9.840 -2.417 -13.698 99 HA CYS 13 HA CYS 13 10.991 -1.105 -15.965 100 HB2 CYS 13 HB2 CYS 13 8.618 -1.647 -16.515 101 HB3 CYS 13 HB3 CYS 13 8.133 -0.625 -15.170 102 H GLY 14 H GLY 14 9.781 1.373 -15.360 103 HA2 GLY 14 HA2 GLY 14 10.311 3.275 -14.101 104 HA3 GLY 14 HA3 GLY 14 9.831 2.245 -12.778 105 HA PRO 15 HA PRO 15 14.162 3.191 -11.827 106 HB2 PRO 15 HB2 PRO 15 13.809 3.694 -9.255 107 HB3 PRO 15 HB3 PRO 15 13.147 4.810 -10.465 108 HG2 PRO 15 HG2 PRO 15 11.731 2.583 -9.036 109 HG3 PRO 15 HG3 PRO 15 11.262 4.295 -9.139 110 HD2 PRO 15 HD2 PRO 15 10.272 2.420 -10.821 111 HD3 PRO 15 HD3 PRO 15 10.535 4.082 -11.356 112 H GLY 16 H GLY 16 14.603 0.894 -12.355 113 HA2 GLY 16 HA2 GLY 16 15.883 -0.889 -11.412 114 HA3 GLY 16 HA3 GLY 16 15.017 -0.670 -9.898 115 H GLY 17 H GLY 17 12.574 -1.029 -10.158 116 HA2 GLY 17 HA2 GLY 17 11.540 -2.678 -12.132 117 HA3 GLY 17 HA3 GLY 17 12.087 -3.710 -10.827 118 H LYS 18 H LYS 18 10.842 -0.518 -10.605 119 HA LYS 18 HA LYS 18 8.977 -1.034 -8.584 120 HB2 LYS 18 HB2 LYS 18 9.955 1.175 -10.179 121 HB3 LYS 18 HB3 LYS 18 8.261 1.305 -9.766 122 HG2 LYS 18 HG2 LYS 18 10.004 2.370 -8.271 123 HG3 LYS 18 HG3 LYS 18 8.650 1.501 -7.561 124 HD2 LYS 18 HD2 LYS 18 10.026 -0.451 -7.296 125 HD3 LYS 18 HD3 LYS 18 11.381 0.351 -8.059 126 HE2 LYS 18 HE2 LYS 18 11.961 0.757 -5.899 127 HE3 LYS 18 HE3 LYS 18 10.877 2.128 -6.134 128 HZ1 LYS 18 HZ1 LYS 18 9.609 -0.330 -5.271 129 HZ2 LYS 18 HZ2 LYS 18 9.344 1.263 -4.764 130 HZ3 LYS 18 HZ3 LYS 18 10.645 0.381 -4.138 131 H GLY 19 H GLY 19 8.972 -1.103 -11.958 132 HA2 GLY 19 HA2 GLY 19 6.214 -1.875 -12.042 133 HA3 GLY 19 HA3 GLY 19 6.707 -0.539 -13.066 134 H ARG 20 H ARG 20 6.096 -1.754 -14.812 135 HA ARG 20 HA ARG 20 8.149 -3.382 -15.979 136 HB2 ARG 20 HB2 ARG 20 6.717 -5.331 -16.314 137 HB3 ARG 20 HB3 ARG 20 6.972 -4.994 -14.602 138 HG2 ARG 20 HG2 ARG 20 4.830 -4.250 -14.285 139 HG3 ARG 20 HG3 ARG 20 4.640 -3.846 -15.982 140 HD2 ARG 20 HD2 ARG 20 3.851 -5.842 -16.500 141 HD3 ARG 20 HD3 ARG 20 5.126 -6.643 -15.591 142 HE ARG 20 HE ARG 20 2.487 -6.452 -14.800 143 HH11 ARG 20 HH11 ARG 20 5.627 -5.783 -13.391 144 HH12 ARG 20 HH12 ARG 20 5.079 -6.038 -11.771 145 HH21 ARG 20 HH21 ARG 20 1.791 -6.797 -12.676 146 HH22 ARG 20 HH22 ARG 20 2.907 -6.618 -11.364 147 H CYS 21 H CYS 21 7.118 -4.317 -18.164 148 HA CYS 21 HA CYS 21 5.712 -2.072 -19.454 149 HB2 CYS 21 HB2 CYS 21 7.840 -3.881 -20.222 150 HB3 CYS 21 HB3 CYS 21 6.576 -3.799 -21.427 151 H PHE 22 H PHE 22 3.517 -2.451 -20.046 152 HA PHE 22 HA PHE 22 2.581 -5.159 -19.711 153 HB2 PHE 22 HB2 PHE 22 1.286 -2.459 -19.980 154 HB3 PHE 22 HB3 PHE 22 0.343 -3.935 -20.048 155 HD1 PHE 22 HD1 PHE 22 3.330 -3.253 -17.934 156 HD2 PHE 22 HD2 PHE 22 -0.909 -3.776 -18.076 157 HE1 PHE 22 HE1 PHE 22 3.216 -3.271 -15.474 158 HE2 PHE 22 HE2 PHE 22 -0.989 -3.811 -15.616 159 HZ PHE 22 HZ PHE 22 1.082 -3.564 -14.321 160 H GLY 23 H GLY 23 3.811 -3.489 -22.307 161 HA2 GLY 23 HA2 GLY 23 3.594 -5.196 -24.263 162 HA3 GLY 23 HA3 GLY 23 1.903 -4.765 -24.170 163 HA PRO 24 HA PRO 24 2.818 -1.610 -27.074 164 HB2 PRO 24 HB2 PRO 24 0.774 0.086 -26.767 165 HB3 PRO 24 HB3 PRO 24 0.518 -1.597 -27.237 166 HG2 PRO 24 HG2 PRO 24 0.041 -0.271 -24.632 167 HG3 PRO 24 HG3 PRO 24 -0.791 -1.648 -25.372 168 HD2 PRO 24 HD2 PRO 24 1.224 -1.707 -23.389 169 HD3 PRO 24 HD3 PRO 24 0.507 -3.091 -24.248 170 H SER 25 H SER 25 4.854 -0.839 -26.080 171 HA SER 25 HA SER 25 6.230 0.811 -25.252 172 HB2 SER 25 HB2 SER 25 4.788 1.902 -27.233 173 HB3 SER 25 HB3 SER 25 4.186 2.895 -25.893 174 HG SER 25 HG SER 25 6.685 2.836 -27.093 175 H ILE 26 H ILE 26 3.969 -0.288 -23.573 176 HA ILE 26 HA ILE 26 3.522 1.977 -21.789 177 HB ILE 26 HB ILE 26 1.721 0.315 -22.809 178 HG12 ILE 26 HG12 ILE 26 1.395 1.072 -19.939 179 HG13 ILE 26 HG13 ILE 26 1.553 2.329 -21.187 180 HG21 ILE 26 HG21 ILE 26 1.076 -1.379 -21.214 181 HG22 ILE 26 HG22 ILE 26 2.443 -0.941 -20.181 182 HG23 ILE 26 HG23 ILE 26 2.729 -1.664 -21.768 183 HD11 ILE 26 HD11 ILE 26 -0.557 2.021 -21.842 184 HD12 ILE 26 HD12 ILE 26 -0.771 0.984 -20.433 185 HD13 ILE 26 HD13 ILE 26 -0.313 0.277 -21.992 186 H CYS 27 H CYS 27 3.523 1.629 -19.535 187 HA CYS 27 HA CYS 27 4.941 -0.600 -18.443 188 HB2 CYS 27 HB2 CYS 27 6.197 1.902 -19.043 189 HB3 CYS 27 HB3 CYS 27 6.218 1.614 -17.321 190 H CYS 28 H CYS 28 4.522 -0.835 -16.254 191 HA CYS 28 HA CYS 28 2.962 1.205 -14.902 192 HB2 CYS 28 HB2 CYS 28 1.667 -0.798 -16.165 193 HB3 CYS 28 HB3 CYS 28 2.018 -1.584 -14.634 194 H GLY 29 H GLY 29 3.453 1.288 -12.730 195 HA2 GLY 29 HA2 GLY 29 5.062 -0.887 -11.707 196 HA3 GLY 29 HA3 GLY 29 5.407 0.758 -11.357 197 H ASP 30 H ASP 30 5.071 -0.823 -9.185 198 HA ASP 30 HA ASP 30 2.359 -0.970 -8.357 199 HB2 ASP 30 HB2 ASP 30 4.160 -2.494 -7.534 200 HB3 ASP 30 HB3 ASP 30 4.848 -1.136 -6.652 201 H GLU 31 H GLU 31 4.939 0.691 -6.590 202 HA GLU 31 HA GLU 31 3.180 2.759 -5.712 203 HB2 GLU 31 HB2 GLU 31 5.217 3.689 -4.666 204 HB3 GLU 31 HB3 GLU 31 5.026 1.979 -4.288 205 HG2 GLU 31 HG2 GLU 31 6.961 1.457 -5.245 206 HG3 GLU 31 HG3 GLU 31 6.573 2.368 -6.709 207 H LEU 32 H LEU 32 4.622 2.042 -8.508 208 HA LEU 32 HA LEU 32 5.600 4.562 -9.390 209 HB2 LEU 32 HB2 LEU 32 5.921 1.853 -9.806 210 HB3 LEU 32 HB3 LEU 32 5.299 2.469 -11.279 211 HG LEU 32 HG LEU 32 7.876 2.959 -9.985 212 HD11 LEU 32 HD11 LEU 32 7.541 2.645 -12.868 213 HD12 LEU 32 HD12 LEU 32 7.025 1.264 -11.874 214 HD13 LEU 32 HD13 LEU 32 8.687 1.885 -11.758 215 HD21 LEU 32 HD21 LEU 32 8.415 4.761 -11.461 216 HD22 LEU 32 HD22 LEU 32 6.977 5.212 -10.545 217 HD23 LEU 32 HD23 LEU 32 6.833 4.662 -12.209 218 H GLY 33 H GLY 33 2.711 2.727 -9.672 219 HA2 GLY 33 HA2 GLY 33 0.659 3.301 -10.589 220 HA3 GLY 33 HA3 GLY 33 1.372 4.826 -11.056 221 H CYS 34 H CYS 34 0.146 4.501 -13.091 222 HA CYS 34 HA CYS 34 1.529 2.590 -14.835 223 HB2 CYS 34 HB2 CYS 34 -1.196 2.807 -14.367 224 HB3 CYS 34 HB3 CYS 34 -0.958 3.493 -15.973 225 H PHE 35 H PHE 35 2.319 3.153 -16.743 226 HA PHE 35 HA PHE 35 1.998 5.935 -17.668 227 HB2 PHE 35 HB2 PHE 35 4.623 4.549 -18.037 228 HB3 PHE 35 HB3 PHE 35 4.271 6.269 -18.000 229 HD1 PHE 35 HD1 PHE 35 4.177 3.293 -15.759 230 HD2 PHE 35 HD2 PHE 35 4.933 7.458 -16.175 231 HE1 PHE 35 HE1 PHE 35 4.938 3.388 -13.426 232 HE2 PHE 35 HE2 PHE 35 5.698 7.555 -13.845 233 HZ PHE 35 HZ PHE 35 5.713 5.511 -12.474 234 H VAL 36 H VAL 36 2.590 6.193 -19.956 235 HA VAL 36 HA VAL 36 2.617 3.739 -21.522 236 HB VAL 36 HB VAL 36 0.805 5.903 -22.500 237 HG11 VAL 36 HG11 VAL 36 1.631 4.037 -23.946 238 HG12 VAL 36 HG12 VAL 36 -0.132 4.131 -23.808 239 HG13 VAL 36 HG13 VAL 36 0.759 2.914 -22.893 240 HG21 VAL 36 HG21 VAL 36 -0.983 5.355 -21.251 241 HG22 VAL 36 HG22 VAL 36 0.221 4.813 -20.088 242 HG23 VAL 36 HG23 VAL 36 -0.539 3.654 -21.172 243 H GLY 37 H GLY 37 4.544 4.017 -22.362 244 HA2 GLY 37 HA2 GLY 37 6.111 4.832 -23.871 245 HA3 GLY 37 HA3 GLY 37 4.912 6.002 -24.404 246 H THR 38 H THR 38 4.935 6.532 -21.238 247 HA THR 38 HA THR 38 6.356 8.959 -21.327 248 HB THR 38 HB THR 38 5.583 7.347 -18.887 249 HG1 THR 38 HG1 THR 38 3.979 9.182 -20.326 250 HG21 THR 38 HG21 THR 38 5.664 9.194 -17.608 251 HG22 THR 38 HG22 THR 38 5.243 10.276 -18.935 252 HG23 THR 38 HG23 THR 38 6.886 9.667 -18.780 253 H ALA 39 H ALA 39 8.142 9.478 -19.741 254 HA ALA 39 HA ALA 39 10.491 8.201 -20.295 255 HB1 ALA 39 HB1 ALA 39 9.571 10.048 -18.199 256 HB2 ALA 39 HB2 ALA 39 10.961 10.152 -19.278 257 HB3 ALA 39 HB3 ALA 39 11.042 9.149 -17.829 258 H GLU 40 H GLU 40 8.510 7.688 -17.358 259 HA GLU 40 HA GLU 40 10.123 5.568 -16.391 260 HB2 GLU 40 HB2 GLU 40 7.677 6.928 -15.602 261 HB3 GLU 40 HB3 GLU 40 7.620 5.206 -15.284 262 HG2 GLU 40 HG2 GLU 40 8.540 5.869 -13.334 263 HG3 GLU 40 HG3 GLU 40 10.022 5.696 -14.271 264 H ALA 41 H ALA 41 8.521 5.538 -19.188 265 HA ALA 41 HA ALA 41 7.678 2.740 -18.908 266 HB1 ALA 41 HB1 ALA 41 5.884 3.115 -20.357 267 HB2 ALA 41 HB2 ALA 41 6.552 4.658 -20.877 268 HB3 ALA 41 HB3 ALA 41 5.888 4.490 -19.256 269 H LEU 42 H LEU 42 9.984 4.596 -20.284 270 HA LEU 42 HA LEU 42 10.090 3.681 -22.920 271 HB2 LEU 42 HB2 LEU 42 12.510 4.385 -22.745 272 HB3 LEU 42 HB3 LEU 42 11.300 5.614 -22.452 273 HG LEU 42 HG LEU 42 12.050 6.021 -20.388 274 HD11 LEU 42 HD11 LEU 42 12.370 4.472 -18.660 275 HD12 LEU 42 HD12 LEU 42 12.686 3.153 -19.785 276 HD13 LEU 42 HD13 LEU 42 11.059 3.811 -19.630 277 HD21 LEU 42 HD21 LEU 42 14.171 5.118 -21.952 278 HD22 LEU 42 HD22 LEU 42 14.431 4.420 -20.353 279 HD23 LEU 42 HD23 LEU 42 14.249 6.164 -20.536 280 H ARG 43 H ARG 43 10.650 2.083 -20.015 281 HA ARG 43 HA ARG 43 12.770 0.415 -20.389 282 HB2 ARG 43 HB2 ARG 43 10.516 0.556 -18.722 283 HB3 ARG 43 HB3 ARG 43 10.634 -1.090 -19.305 284 HG2 ARG 43 HG2 ARG 43 11.811 -0.658 -17.159 285 HG3 ARG 43 HG3 ARG 43 12.830 -1.329 -18.428 286 HD2 ARG 43 HD2 ARG 43 13.912 0.710 -18.793 287 HD3 ARG 43 HD3 ARG 43 12.643 1.635 -17.988 288 HE ARG 43 HE ARG 43 13.813 1.365 -16.057 289 HH11 ARG 43 HH11 ARG 43 14.639 -1.276 -18.183 290 HH12 ARG 43 HH12 ARG 43 15.775 -1.973 -17.080 291 HH21 ARG 43 HH21 ARG 43 15.314 0.455 -14.609 292 HH22 ARG 43 HH22 ARG 43 16.162 -0.989 -15.053 293 H CYS 44 H CYS 44 9.880 0.425 -22.248 294 HA CYS 44 HA CYS 44 9.903 -2.282 -22.993 295 HB2 CYS 44 HB2 CYS 44 8.552 0.132 -23.928 296 HB3 CYS 44 HB3 CYS 44 8.650 -1.188 -25.078 297 H GLN 45 H GLN 45 12.147 0.065 -23.603 298 HA GLN 45 HA GLN 45 12.875 -0.422 -26.254 299 HB2 GLN 45 HB2 GLN 45 14.020 0.847 -23.882 300 HB3 GLN 45 HB3 GLN 45 15.220 0.183 -24.971 301 HG2 GLN 45 HG2 GLN 45 14.563 1.580 -26.733 302 HG3 GLN 45 HG3 GLN 45 13.045 2.000 -25.941 303 HE21 GLN 45 HE21 GLN 45 13.436 2.994 -23.685 304 HE22 GLN 45 HE22 GLN 45 14.618 4.251 -23.630 305 H GLU 46 H GLU 46 12.979 -2.238 -23.467 306 HA GLU 46 HA GLU 46 15.201 -3.976 -24.169 307 HB2 GLU 46 HB2 GLU 46 14.610 -5.229 -22.171 308 HB3 GLU 46 HB3 GLU 46 14.635 -3.513 -21.790 309 HG2 GLU 46 HG2 GLU 46 12.602 -3.698 -20.962 310 HG3 GLU 46 HG3 GLU 46 12.008 -4.096 -22.573 311 H GLU 47 H GLU 47 11.787 -3.687 -24.563 312 HA GLU 47 HA GLU 47 11.383 -6.433 -25.404 313 HB2 GLU 47 HB2 GLU 47 9.688 -4.015 -25.051 314 HB3 GLU 47 HB3 GLU 47 9.136 -5.214 -26.211 315 HG2 GLU 47 HG2 GLU 47 9.632 -6.854 -24.195 316 HG3 GLU 47 HG3 GLU 47 9.359 -5.383 -23.262 317 H ASN 48 H ASN 48 12.862 -3.855 -26.804 318 HA ASN 48 HA ASN 48 11.837 -4.250 -29.459 319 HB2 ASN 48 HB2 ASN 48 13.177 -2.131 -28.075 320 HB3 ASN 48 HB3 ASN 48 14.091 -2.545 -29.521 321 HD21 ASN 48 HD21 ASN 48 12.362 -0.215 -28.735 322 HD22 ASN 48 HD22 ASN 48 11.258 -0.038 -30.052 323 H TYR 49 H TYR 49 14.022 -5.837 -27.561 324 HA TYR 49 HA TYR 49 15.965 -6.307 -29.708 325 HB2 TYR 49 HB2 TYR 49 15.927 -6.762 -26.759 326 HB3 TYR 49 HB3 TYR 49 16.930 -7.830 -27.745 327 HD1 TYR 49 HD1 TYR 49 18.131 -6.228 -29.738 328 HD2 TYR 49 HD2 TYR 49 17.200 -5.139 -25.732 329 HE1 TYR 49 HE1 TYR 49 19.880 -4.503 -29.806 330 HE2 TYR 49 HE2 TYR 49 18.945 -3.408 -25.791 331 HH TYR 49 HH TYR 49 20.273 -2.232 -28.513 332 H LEU 50 H LEU 50 14.175 -8.376 -27.391 333 HA LEU 50 HA LEU 50 13.683 -10.258 -29.589 334 HB2 LEU 50 HB2 LEU 50 14.646 -11.057 -26.844 335 HB3 LEU 50 HB3 LEU 50 14.231 -12.152 -28.150 336 HG LEU 50 HG LEU 50 16.326 -10.149 -28.749 337 HD11 LEU 50 HD11 LEU 50 16.492 -11.685 -26.375 338 HD12 LEU 50 HD12 LEU 50 17.727 -10.666 -27.114 339 HD13 LEU 50 HD13 LEU 50 17.620 -12.374 -27.543 340 HD21 LEU 50 HD21 LEU 50 15.345 -12.598 -29.799 341 HD22 LEU 50 HD22 LEU 50 17.030 -12.837 -29.336 342 HD23 LEU 50 HD23 LEU 50 16.597 -11.542 -30.453 343 HA PRO 51 HA PRO 51 9.453 -9.729 -28.200 344 HB2 PRO 51 HB2 PRO 51 9.405 -12.455 -29.452 345 HB3 PRO 51 HB3 PRO 51 8.227 -11.139 -29.585 346 HG2 PRO 51 HG2 PRO 51 9.931 -11.494 -31.548 347 HG3 PRO 51 HG3 PRO 51 9.636 -9.852 -30.935 348 HD2 PRO 51 HD2 PRO 51 11.979 -11.652 -30.463 349 HD3 PRO 51 HD3 PRO 51 11.938 -9.892 -30.707 350 H SER 52 H SER 52 9.081 -9.966 -26.073 351 HA SER 52 HA SER 52 9.397 -12.650 -24.891 352 HB2 SER 52 HB2 SER 52 11.038 -10.838 -24.111 353 HB3 SER 52 HB3 SER 52 9.651 -10.083 -23.325 354 HG SER 52 HG SER 52 10.197 -11.393 -21.760 355 HA PRO 53 HA PRO 53 5.086 -12.010 -23.916 356 HB2 PRO 53 HB2 PRO 53 4.546 -14.444 -22.984 357 HB3 PRO 53 HB3 PRO 53 4.958 -14.202 -24.686 358 HG2 PRO 53 HG2 PRO 53 6.636 -15.263 -22.461 359 HG3 PRO 53 HG3 PRO 53 6.586 -15.755 -24.163 360 HD2 PRO 53 HD2 PRO 53 8.463 -14.029 -22.997 361 HD3 PRO 53 HD3 PRO 53 8.173 -14.236 -24.735 362 H CYS 54 H CYS 54 3.655 -12.707 -21.938 363 HA CYS 54 HA CYS 54 4.583 -13.046 -19.393 364 HB2 CYS 54 HB2 CYS 54 4.846 -10.916 -18.422 365 HB3 CYS 54 HB3 CYS 54 5.735 -10.851 -19.934 366 H GLN 55 H GLN 55 2.964 -11.473 -17.840 367 HA GLN 55 HA GLN 55 0.438 -12.699 -18.241 368 HB2 GLN 55 HB2 GLN 55 1.288 -12.254 -16.013 369 HB3 GLN 55 HB3 GLN 55 1.326 -10.534 -16.355 370 HG2 GLN 55 HG2 GLN 55 -0.859 -10.264 -15.935 371 HG3 GLN 55 HG3 GLN 55 -1.299 -11.804 -16.676 372 HE21 GLN 55 HE21 GLN 55 -2.591 -12.568 -15.068 373 HE22 GLN 55 HE22 GLN 55 -2.027 -12.957 -13.482 374 H SER 56 H SER 56 0.770 -9.232 -17.617 375 HA SER 56 HA SER 56 -0.264 -7.422 -18.511 376 HB2 SER 56 HB2 SER 56 -0.155 -7.162 -20.841 377 HB3 SER 56 HB3 SER 56 1.127 -8.324 -20.495 378 HG SER 56 HG SER 56 -1.058 -8.621 -22.032 379 H GLY 57 H GLY 57 -2.253 -7.065 -17.765 380 HA2 GLY 57 HA2 GLY 57 -4.586 -6.877 -18.424 381 HA3 GLY 57 HA3 GLY 57 -4.489 -8.515 -19.051 382 H GLN 58 H GLN 58 -5.032 -6.522 -16.296 383 HA GLN 58 HA GLN 58 -5.584 -8.924 -14.707 384 HB2 GLN 58 HB2 GLN 58 -4.009 -6.545 -14.138 385 HB3 GLN 58 HB3 GLN 58 -5.172 -6.950 -12.886 386 HG2 GLN 58 HG2 GLN 58 -3.607 -9.180 -13.978 387 HG3 GLN 58 HG3 GLN 58 -2.719 -7.995 -13.036 388 HE21 GLN 58 HE21 GLN 58 -2.324 -9.620 -11.453 389 HE22 GLN 58 HE22 GLN 58 -3.553 -10.074 -10.327 390 H LYS 59 H LYS 59 -7.161 -8.582 -13.021 391 HA LYS 59 HA LYS 59 -9.619 -8.345 -13.428 392 HB2 LYS 59 HB2 LYS 59 -9.120 -8.351 -11.145 393 HB3 LYS 59 HB3 LYS 59 -8.256 -6.829 -11.232 394 HG2 LYS 59 HG2 LYS 59 -10.702 -5.945 -11.843 395 HG3 LYS 59 HG3 LYS 59 -11.143 -7.366 -10.896 396 HD2 LYS 59 HD2 LYS 59 -9.654 -6.560 -9.086 397 HD3 LYS 59 HD3 LYS 59 -9.357 -5.097 -10.026 398 HE2 LYS 59 HE2 LYS 59 -11.810 -4.658 -9.987 399 HE3 LYS 59 HE3 LYS 59 -11.991 -6.034 -8.897 400 HZ1 LYS 59 HZ1 LYS 59 -11.293 -4.832 -7.175 401 HZ2 LYS 59 HZ2 LYS 59 -11.513 -3.465 -8.146 402 HZ3 LYS 59 HZ3 LYS 59 -9.984 -4.180 -8.026 403 HA PRO 60 HA PRO 60 -9.602 -4.865 -16.369 404 HB2 PRO 60 HB2 PRO 60 -12.110 -6.285 -17.022 405 HB3 PRO 60 HB3 PRO 60 -10.849 -5.665 -18.089 406 HG2 PRO 60 HG2 PRO 60 -11.078 -8.269 -17.494 407 HG3 PRO 60 HG3 PRO 60 -9.521 -7.489 -17.796 408 HD2 PRO 60 HD2 PRO 60 -10.679 -8.445 -15.254 409 HD3 PRO 60 HD3 PRO 60 -8.988 -8.206 -15.719 410 H CYS 61 H CYS 61 -11.102 -3.359 -17.066 411 HA CYS 61 HA CYS 61 -13.563 -2.873 -15.714 412 HB2 CYS 61 HB2 CYS 61 -12.811 -0.489 -15.026 413 HB3 CYS 61 HB3 CYS 61 -12.474 -1.854 -13.982 414 H GLY 62 H GLY 62 -14.754 -0.993 -16.425 415 HA2 GLY 62 HA2 GLY 62 -14.413 -0.630 -19.237 416 HA3 GLY 62 HA3 GLY 62 -15.815 -0.231 -18.275 417 H SER 63 H SER 63 -12.665 0.895 -17.331 418 HA SER 63 HA SER 63 -13.406 3.560 -18.154 419 HB2 SER 63 HB2 SER 63 -12.998 3.045 -15.668 420 HB3 SER 63 HB3 SER 63 -11.310 2.928 -16.116 421 HG SER 63 HG SER 63 -12.849 5.137 -15.776 422 H GLY 64 H GLY 64 -12.380 1.699 -19.943 423 HA2 GLY 64 HA2 GLY 64 -10.999 2.091 -21.800 424 HA3 GLY 64 HA3 GLY 64 -9.958 3.039 -20.769 425 H GLY 65 H GLY 65 -10.605 0.239 -19.147 426 HA2 GLY 65 HA2 GLY 65 -9.205 -1.810 -20.247 427 HA3 GLY 65 HA3 GLY 65 -7.978 -0.749 -19.671 428 H ARG 66 H ARG 66 -7.136 -2.162 -18.252 429 HA ARG 66 HA ARG 66 -8.846 -3.382 -16.340 430 HB2 ARG 66 HB2 ARG 66 -5.884 -3.637 -16.232 431 HB3 ARG 66 HB3 ARG 66 -7.109 -4.831 -15.860 432 HG2 ARG 66 HG2 ARG 66 -6.261 -3.903 -18.593 433 HG3 ARG 66 HG3 ARG 66 -5.950 -5.474 -17.856 434 HD2 ARG 66 HD2 ARG 66 -8.493 -5.709 -17.723 435 HD3 ARG 66 HD3 ARG 66 -8.552 -4.343 -18.833 436 HE ARG 66 HE ARG 66 -7.722 -5.685 -20.527 437 HH11 ARG 66 HH11 ARG 66 -7.635 -7.434 -17.500 438 HH12 ARG 66 HH12 ARG 66 -7.434 -8.976 -18.259 439 HH21 ARG 66 HH21 ARG 66 -7.438 -7.713 -21.515 440 HH22 ARG 66 HH22 ARG 66 -7.318 -9.135 -20.534 441 H CYS 67 H CYS 67 -7.459 -3.668 -14.070 442 HA CYS 67 HA CYS 67 -7.656 -1.058 -12.903 443 HB2 CYS 67 HB2 CYS 67 -8.683 -3.014 -11.819 444 HB3 CYS 67 HB3 CYS 67 -7.120 -3.802 -11.722 445 H ALA 68 H ALA 68 -5.792 -1.112 -14.744 446 HA ALA 68 HA ALA 68 -3.371 -1.865 -14.777 447 HB1 ALA 68 HB1 ALA 68 -4.478 0.781 -15.278 448 HB2 ALA 68 HB2 ALA 68 -3.551 -0.300 -16.311 449 HB3 ALA 68 HB3 ALA 68 -2.728 0.704 -15.122 450 H ALA 69 H ALA 69 -3.827 0.935 -12.359 451 HA ALA 69 HA ALA 69 -1.830 -0.348 -10.730 452 HB1 ALA 69 HB1 ALA 69 -0.320 1.585 -10.814 453 HB2 ALA 69 HB2 ALA 69 -1.259 2.239 -12.171 454 HB3 ALA 69 HB3 ALA 69 -0.395 0.704 -12.334 455 H ALA 70 H ALA 70 -1.914 0.314 -8.716 456 HA ALA 70 HA ALA 70 -2.942 1.153 -6.783 457 HB1 ALA 70 HB1 ALA 70 -1.742 2.969 -6.360 458 HB2 ALA 70 HB2 ALA 70 -2.786 3.920 -7.433 459 HB3 ALA 70 HB3 ALA 70 -1.353 3.092 -8.078 460 H GLY 71 H GLY 71 -4.363 1.652 -9.641 461 HA2 GLY 71 HA2 GLY 71 -6.898 1.829 -9.480 462 HA3 GLY 71 HA3 GLY 71 -6.482 3.282 -8.627 463 H ILE 72 H ILE 72 -5.945 1.646 -11.598 464 HA ILE 72 HA ILE 72 -6.208 4.073 -13.042 465 HB ILE 72 HB ILE 72 -3.623 2.539 -12.946 466 HG12 ILE 72 HG12 ILE 72 -4.195 4.779 -11.745 467 HG13 ILE 72 HG13 ILE 72 -2.626 4.546 -12.505 468 HG21 ILE 72 HG21 ILE 72 -4.821 3.818 -15.336 469 HG22 ILE 72 HG22 ILE 72 -3.737 2.437 -15.213 470 HG23 ILE 72 HG23 ILE 72 -3.102 4.066 -15.038 471 HD11 ILE 72 HD11 ILE 72 -4.358 5.580 -14.484 472 HD12 ILE 72 HD12 ILE 72 -2.952 6.338 -13.715 473 HD13 ILE 72 HD13 ILE 72 -4.560 6.553 -13.009 474 H CYS 73 H CYS 73 -7.813 3.390 -14.320 475 HA CYS 73 HA CYS 73 -7.794 0.658 -15.146 476 HB2 CYS 73 HB2 CYS 73 -9.902 1.782 -14.448 477 HB3 CYS 73 HB3 CYS 73 -9.823 2.765 -15.882 478 H CYS 74 H CYS 74 -6.121 0.461 -16.531 479 HA CYS 74 HA CYS 74 -6.126 2.282 -18.832 480 HB2 CYS 74 HB2 CYS 74 -4.448 3.118 -17.464 481 HB3 CYS 74 HB3 CYS 74 -3.901 1.537 -16.987 482 H SER 75 H SER 75 -5.424 1.651 -20.655 483 HA SER 75 HA SER 75 -4.425 -1.073 -21.017 484 HB2 SER 75 HB2 SER 75 -6.352 0.374 -22.850 485 HB3 SER 75 HB3 SER 75 -5.737 -1.251 -23.098 486 HG SER 75 HG SER 75 -7.680 -0.339 -21.383 487 HA PRO 76 HA PRO 76 -1.724 1.182 -23.946 488 HB2 PRO 76 HB2 PRO 76 -2.571 0.897 -26.585 489 HB3 PRO 76 HB3 PRO 76 -1.616 -0.276 -25.705 490 HG2 PRO 76 HG2 PRO 76 -4.273 -0.571 -26.636 491 HG3 PRO 76 HG3 PRO 76 -3.345 -1.710 -25.651 492 HD2 PRO 76 HD2 PRO 76 -5.418 0.228 -24.831 493 HD3 PRO 76 HD3 PRO 76 -4.890 -1.280 -24.068 494 H ASP 77 H ASP 77 -5.040 1.653 -24.870 495 HA ASP 77 HA ASP 77 -5.028 3.951 -26.361 496 HB2 ASP 77 HB2 ASP 77 -6.936 2.245 -25.255 497 HB3 ASP 77 HB3 ASP 77 -7.318 3.819 -24.567 498 H GLY 78 H GLY 78 -5.472 3.635 -22.863 499 HA2 GLY 78 HA2 GLY 78 -3.829 5.800 -22.301 500 HA3 GLY 78 HA3 GLY 78 -5.470 6.376 -22.275 501 H CYS 79 H CYS 79 -3.628 6.288 -20.063 502 HA CYS 79 HA CYS 79 -5.033 4.346 -18.397 503 HB2 CYS 79 HB2 CYS 79 -2.606 5.789 -17.483 504 HB3 CYS 79 HB3 CYS 79 -3.290 4.334 -16.838 505 H GLU 80 H GLU 80 -6.085 4.965 -16.693 506 HA GLU 80 HA GLU 80 -5.921 7.689 -15.774 507 HB2 GLU 80 HB2 GLU 80 -8.241 8.222 -16.108 508 HB3 GLU 80 HB3 GLU 80 -7.546 7.737 -17.649 509 HG2 GLU 80 HG2 GLU 80 -9.024 6.105 -17.881 510 HG3 GLU 80 HG3 GLU 80 -8.653 5.459 -16.283 511 H GLU 81 H GLU 81 -6.457 7.967 -13.644 512 HA GLU 81 HA GLU 81 -6.538 5.780 -11.982 513 HB2 GLU 81 HB2 GLU 81 -7.403 7.562 -10.291 514 HB3 GLU 81 HB3 GLU 81 -5.804 7.737 -10.980 515 HG2 GLU 81 HG2 GLU 81 -7.575 9.050 -12.699 516 HG3 GLU 81 HG3 GLU 81 -7.951 9.532 -11.063 517 H ASP 82 H ASP 82 -8.067 4.423 -11.584 518 HA ASP 82 HA ASP 82 -10.810 5.206 -12.091 519 HB2 ASP 82 HB2 ASP 82 -11.237 2.798 -12.644 520 HB3 ASP 82 HB3 ASP 82 -10.133 3.612 -13.748 521 HA PRO 83 HA PRO 83 -11.247 4.729 -7.686 522 HB2 PRO 83 HB2 PRO 83 -14.076 4.980 -8.637 523 HB3 PRO 83 HB3 PRO 83 -13.290 5.835 -7.303 524 HG2 PRO 83 HG2 PRO 83 -13.702 7.098 -9.560 525 HG3 PRO 83 HG3 PRO 83 -12.127 7.248 -8.756 526 HD2 PRO 83 HD2 PRO 83 -12.887 5.538 -11.097 527 HD3 PRO 83 HD3 PRO 83 -11.423 6.497 -10.852 528 H ALA 84 H ALA 84 -12.639 3.067 -10.262 529 HA ALA 84 HA ALA 84 -13.914 0.959 -8.927 530 HB1 ALA 84 HB1 ALA 84 -13.029 -0.008 -11.362 531 HB2 ALA 84 HB2 ALA 84 -13.090 1.742 -11.606 532 HB3 ALA 84 HB3 ALA 84 -14.546 0.862 -11.109 533 H CYS 85 H CYS 85 -10.776 1.856 -9.580 534 HA CYS 85 HA CYS 85 -9.623 -0.706 -9.073 535 HB2 CYS 85 HB2 CYS 85 -9.059 0.520 -11.105 536 HB3 CYS 85 HB3 CYS 85 -8.323 1.721 -10.098 537 H ASP 86 H ASP 86 -9.283 2.683 -7.692 538 HA ASP 86 HA ASP 86 -8.911 1.829 -5.073 539 HB2 ASP 86 HB2 ASP 86 -7.071 0.495 -6.195 540 HB3 ASP 86 HB3 ASP 86 -6.256 2.039 -6.360 541 HA PRO 87 HA PRO 87 -6.516 5.928 -5.081 542 HB2 PRO 87 HB2 PRO 87 -6.407 7.277 -7.526 543 HB3 PRO 87 HB3 PRO 87 -5.158 6.273 -6.829 544 HG2 PRO 87 HG2 PRO 87 -6.540 5.701 -9.144 545 HG3 PRO 87 HG3 PRO 87 -5.641 4.547 -8.147 546 HD2 PRO 87 HD2 PRO 87 -8.590 5.155 -8.108 547 HD3 PRO 87 HD3 PRO 87 -7.821 3.573 -8.108 548 H GLU 88 H GLU 88 -8.441 6.777 -7.805 549 HA GLU 88 HA GLU 88 -9.546 9.106 -6.548 550 HB2 GLU 88 HB2 GLU 88 -9.021 8.608 -9.105 551 HB3 GLU 88 HB3 GLU 88 -10.569 7.776 -9.039 552 HG2 GLU 88 HG2 GLU 88 -11.519 9.996 -8.164 553 HG3 GLU 88 HG3 GLU 88 -10.004 10.696 -8.736 554 H ALA 89 H ALA 89 -9.777 6.075 -6.146 555 HA ALA 89 HA ALA 89 -12.324 5.104 -6.369 556 HB1 ALA 89 HB1 ALA 89 -10.500 3.815 -4.496 557 HB2 ALA 89 HB2 ALA 89 -9.935 4.083 -6.145 558 HB3 ALA 89 HB3 ALA 89 -11.408 3.172 -5.861 559 H ALA 90 H ALA 90 -13.072 3.736 -4.905 560 HA ALA 90 HA ALA 90 -14.265 4.820 -2.508 561 HB1 ALA 90 HB1 ALA 90 -14.979 2.582 -4.404 562 HB2 ALA 90 HB2 ALA 90 -15.815 4.142 -4.277 563 HB3 ALA 90 HB3 ALA 90 -15.906 2.985 -2.947 564 H PHE 91 H PHE 91 -14.942 2.122 -1.617 565 HA PHE 91 HA PHE 91 -12.394 1.324 -0.522 566 HB2 PHE 91 HB2 PHE 91 -15.229 0.351 -0.264 567 HB3 PHE 91 HB3 PHE 91 -13.907 -0.681 0.274 568 HD1 PHE 91 HD1 PHE 91 -15.652 2.503 0.835 569 HD2 PHE 91 HD2 PHE 91 -12.678 -0.188 2.255 570 HE1 PHE 91 HE1 PHE 91 -15.588 3.711 2.977 571 HE2 PHE 91 HE2 PHE 91 -12.609 1.014 4.401 572 HZ PHE 91 HZ PHE 91 -14.066 2.967 4.764 573 H SER 92 H SER 92 -11.956 1.333 -3.034 574 HA SER 92 HA SER 92 -12.402 -1.302 -4.207 575 HB2 SER 92 HB2 SER 92 -13.063 0.278 -5.787 576 HB3 SER 92 HB3 SER 92 -11.803 1.438 -5.345 577 HG SER 92 HG SER 92 -11.301 -1.075 -6.582 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 -6.431 -18.466 -20.168 2 H2 ALA 1 H2 ALA 1 -6.312 -16.755 -20.160 3 H3 ALA 1 H3 ALA 1 -6.082 -17.642 -18.707 4 HA ALA 1 HA ALA 1 -4.309 -18.732 -20.434 5 HB1 ALA 1 HB1 ALA 1 -3.486 -17.207 -21.842 6 HB2 ALA 1 HB2 ALA 1 -3.543 -15.927 -20.629 7 HB3 ALA 1 HB3 ALA 1 -4.986 -16.324 -21.560 8 H VAL 2 H VAL 2 -3.597 -19.533 -18.487 9 HA VAL 2 HA VAL 2 -3.084 -18.082 -16.167 10 HB VAL 2 HB VAL 2 -1.531 -19.955 -15.557 11 HG11 VAL 2 HG11 VAL 2 -4.320 -20.491 -16.530 12 HG12 VAL 2 HG12 VAL 2 -3.756 -20.230 -14.879 13 HG13 VAL 2 HG13 VAL 2 -3.365 -21.731 -15.717 14 HG21 VAL 2 HG21 VAL 2 -1.686 -21.945 -17.166 15 HG22 VAL 2 HG22 VAL 2 -0.575 -20.638 -17.577 16 HG23 VAL 2 HG23 VAL 2 -2.138 -20.753 -18.386 17 H LEU 3 H LEU 3 -0.658 -18.166 -15.242 18 HA LEU 3 HA LEU 3 0.694 -16.154 -16.577 19 HB2 LEU 3 HB2 LEU 3 1.007 -17.709 -14.131 20 HB3 LEU 3 HB3 LEU 3 2.527 -17.166 -14.830 21 HG LEU 3 HG LEU 3 2.148 -15.316 -13.615 22 HD11 LEU 3 HD11 LEU 3 0.170 -14.839 -15.793 23 HD12 LEU 3 HD12 LEU 3 1.919 -14.519 -15.842 24 HD13 LEU 3 HD13 LEU 3 0.880 -13.595 -14.738 25 HD21 LEU 3 HD21 LEU 3 -0.823 -15.587 -13.671 26 HD22 LEU 3 HD22 LEU 3 0.191 -14.744 -12.505 27 HD23 LEU 3 HD23 LEU 3 0.173 -16.508 -12.542 28 H ASP 4 H ASP 4 2.872 -16.103 -17.193 29 HA ASP 4 HA ASP 4 3.504 -18.228 -18.940 30 HB2 ASP 4 HB2 ASP 4 3.841 -15.843 -19.558 31 HB3 ASP 4 HB3 ASP 4 5.092 -15.736 -18.318 32 H LEU 5 H LEU 5 6.345 -16.973 -17.732 33 HA LEU 5 HA LEU 5 6.877 -19.410 -16.333 34 HB2 LEU 5 HB2 LEU 5 9.216 -18.903 -16.601 35 HB3 LEU 5 HB3 LEU 5 8.400 -18.689 -18.124 36 HG LEU 5 HG LEU 5 9.484 -16.754 -18.269 37 HD11 LEU 5 HD11 LEU 5 7.613 -15.924 -16.072 38 HD12 LEU 5 HD12 LEU 5 7.328 -15.834 -17.809 39 HD13 LEU 5 HD13 LEU 5 8.553 -14.824 -17.072 40 HD21 LEU 5 HD21 LEU 5 11.245 -16.742 -16.914 41 HD22 LEU 5 HD22 LEU 5 10.356 -17.545 -15.627 42 HD23 LEU 5 HD23 LEU 5 10.270 -15.795 -15.797 43 H ASP 6 H ASP 6 9.162 -17.996 -14.962 44 HA ASP 6 HA ASP 6 7.854 -17.479 -12.521 45 HB2 ASP 6 HB2 ASP 6 10.583 -17.938 -13.474 46 HB3 ASP 6 HB3 ASP 6 10.468 -16.847 -12.099 47 H VAL 7 H VAL 7 8.870 -15.572 -15.133 48 HA VAL 7 HA VAL 7 8.788 -13.169 -13.543 49 HB VAL 7 HB VAL 7 9.875 -11.967 -15.354 50 HG11 VAL 7 HG11 VAL 7 11.324 -12.729 -13.665 51 HG12 VAL 7 HG12 VAL 7 12.121 -13.145 -15.189 52 HG13 VAL 7 HG13 VAL 7 11.269 -14.397 -14.263 53 HG21 VAL 7 HG21 VAL 7 10.265 -14.628 -16.702 54 HG22 VAL 7 HG22 VAL 7 10.871 -13.073 -17.250 55 HG23 VAL 7 HG23 VAL 7 9.139 -13.388 -17.239 56 H ARG 8 H ARG 8 6.446 -13.909 -13.702 57 HA ARG 8 HA ARG 8 5.065 -13.582 -16.075 58 HB2 ARG 8 HB2 ARG 8 4.108 -13.465 -13.229 59 HB3 ARG 8 HB3 ARG 8 3.119 -13.776 -14.617 60 HG2 ARG 8 HG2 ARG 8 3.821 -15.913 -14.852 61 HG3 ARG 8 HG3 ARG 8 5.422 -15.544 -14.214 62 HD2 ARG 8 HD2 ARG 8 4.483 -15.351 -11.968 63 HD3 ARG 8 HD3 ARG 8 2.887 -15.697 -12.597 64 HE ARG 8 HE ARG 8 5.104 -17.638 -12.673 65 HH11 ARG 8 HH11 ARG 8 1.749 -16.873 -12.138 66 HH12 ARG 8 HH12 ARG 8 1.286 -18.511 -11.830 67 HH21 ARG 8 HH21 ARG 8 4.502 -19.784 -12.217 68 HH22 ARG 8 HH22 ARG 8 2.851 -20.154 -11.854 69 H THR 9 H THR 9 2.892 -12.076 -15.560 70 HA THR 9 HA THR 9 2.231 -10.044 -16.196 71 HB THR 9 HB THR 9 1.604 -9.021 -14.342 72 HG1 THR 9 HG1 THR 9 3.070 -7.713 -13.626 73 HG21 THR 9 HG21 THR 9 1.482 -10.345 -12.508 74 HG22 THR 9 HG22 THR 9 3.165 -10.858 -12.632 75 HG23 THR 9 HG23 THR 9 1.955 -11.520 -13.736 76 H CYS 10 H CYS 10 4.657 -10.487 -17.389 77 HA CYS 10 HA CYS 10 6.372 -9.462 -18.471 78 HB2 CYS 10 HB2 CYS 10 4.162 -7.650 -18.422 79 HB3 CYS 10 HB3 CYS 10 5.644 -6.712 -18.277 80 H LEU 11 H LEU 11 7.988 -7.485 -18.288 81 HA LEU 11 HA LEU 11 9.077 -7.675 -15.608 82 HB2 LEU 11 HB2 LEU 11 10.083 -7.039 -18.281 83 HB3 LEU 11 HB3 LEU 11 10.784 -6.044 -17.018 84 HG LEU 11 HG LEU 11 11.367 -8.180 -15.803 85 HD11 LEU 11 HD11 LEU 11 11.593 -10.084 -17.641 86 HD12 LEU 11 HD12 LEU 11 10.148 -9.286 -18.265 87 HD13 LEU 11 HD13 LEU 11 10.164 -9.922 -16.620 88 HD21 LEU 11 HD21 LEU 11 13.247 -8.719 -17.423 89 HD22 LEU 11 HD22 LEU 11 13.122 -7.052 -16.862 90 HD23 LEU 11 HD23 LEU 11 12.546 -7.485 -18.472 91 HA PRO 12 HA PRO 12 7.786 -3.826 -13.990 92 HB2 PRO 12 HB2 PRO 12 10.478 -3.096 -13.178 93 HB3 PRO 12 HB3 PRO 12 9.069 -3.451 -12.175 94 HG2 PRO 12 HG2 PRO 12 11.287 -5.066 -12.502 95 HG3 PRO 12 HG3 PRO 12 9.716 -5.582 -11.887 96 HD2 PRO 12 HD2 PRO 12 10.985 -6.153 -14.457 97 HD3 PRO 12 HD3 PRO 12 9.596 -6.943 -13.694 98 H CYS 13 H CYS 13 8.178 -1.515 -14.044 99 HA CYS 13 HA CYS 13 9.687 -0.632 -16.328 100 HB2 CYS 13 HB2 CYS 13 6.851 -0.446 -15.753 101 HB3 CYS 13 HB3 CYS 13 7.552 1.093 -16.177 102 H GLY 14 H GLY 14 9.053 2.027 -16.123 103 HA2 GLY 14 HA2 GLY 14 9.818 3.986 -15.111 104 HA3 GLY 14 HA3 GLY 14 9.206 3.238 -13.664 105 HA PRO 15 HA PRO 15 13.629 3.643 -12.806 106 HB2 PRO 15 HB2 PRO 15 13.414 4.736 -10.422 107 HB3 PRO 15 HB3 PRO 15 12.849 5.648 -11.835 108 HG2 PRO 15 HG2 PRO 15 11.217 3.976 -9.952 109 HG3 PRO 15 HG3 PRO 15 10.962 5.668 -10.422 110 HD2 PRO 15 HD2 PRO 15 9.706 3.594 -11.657 111 HD3 PRO 15 HD3 PRO 15 10.136 5.098 -12.502 112 H GLY 16 H GLY 16 14.329 1.546 -12.605 113 HA2 GLY 16 HA2 GLY 16 15.209 -0.168 -11.271 114 HA3 GLY 16 HA3 GLY 16 14.144 0.339 -9.962 115 H GLY 17 H GLY 17 11.774 -0.017 -10.443 116 HA2 GLY 17 HA2 GLY 17 10.854 -1.844 -12.292 117 HA3 GLY 17 HA3 GLY 17 11.295 -2.749 -10.884 118 H LYS 18 H LYS 18 10.129 0.458 -10.760 119 HA LYS 18 HA LYS 18 8.201 -0.003 -8.879 120 HB2 LYS 18 HB2 LYS 18 9.153 2.190 -10.500 121 HB3 LYS 18 HB3 LYS 18 7.468 2.330 -10.063 122 HG2 LYS 18 HG2 LYS 18 9.325 3.389 -8.587 123 HG3 LYS 18 HG3 LYS 18 7.915 2.628 -7.850 124 HD2 LYS 18 HD2 LYS 18 9.176 0.584 -7.554 125 HD3 LYS 18 HD3 LYS 18 10.576 1.298 -8.333 126 HE2 LYS 18 HE2 LYS 18 11.179 1.724 -6.188 127 HE3 LYS 18 HE3 LYS 18 10.137 3.121 -6.410 128 HZ1 LYS 18 HZ1 LYS 18 8.362 1.310 -5.621 129 HZ2 LYS 18 HZ2 LYS 18 9.184 2.326 -4.549 130 HZ3 LYS 18 HZ3 LYS 18 9.728 0.744 -4.797 131 H GLY 19 H GLY 19 7.793 0.752 -12.286 132 HA2 GLY 19 HA2 GLY 19 5.096 -0.230 -12.127 133 HA3 GLY 19 HA3 GLY 19 5.776 0.667 -13.450 134 H ARG 20 H ARG 20 5.079 -0.702 -14.884 135 HA ARG 20 HA ARG 20 6.793 -2.852 -15.563 136 HB2 ARG 20 HB2 ARG 20 5.182 -4.628 -15.595 137 HB3 ARG 20 HB3 ARG 20 5.249 -3.931 -13.976 138 HG2 ARG 20 HG2 ARG 20 3.151 -3.215 -14.045 139 HG3 ARG 20 HG3 ARG 20 3.309 -2.709 -15.740 140 HD2 ARG 20 HD2 ARG 20 1.961 -4.444 -16.166 141 HD3 ARG 20 HD3 ARG 20 3.416 -5.416 -15.958 142 HE ARG 20 HE ARG 20 2.691 -5.633 -13.573 143 HH11 ARG 20 HH11 ARG 20 0.362 -5.069 -16.119 144 HH12 ARG 20 HH12 ARG 20 -0.935 -5.813 -15.248 145 HH21 ARG 20 HH21 ARG 20 0.975 -6.609 -12.447 146 HH22 ARG 20 HH22 ARG 20 -0.594 -6.685 -13.177 147 H CYS 21 H CYS 21 5.797 -3.881 -17.721 148 HA CYS 21 HA CYS 21 4.943 -1.579 -19.329 149 HB2 CYS 21 HB2 CYS 21 6.655 -3.871 -19.765 150 HB3 CYS 21 HB3 CYS 21 5.498 -3.650 -21.059 151 H PHE 22 H PHE 22 3.105 -1.651 -20.705 152 HA PHE 22 HA PHE 22 1.365 -3.978 -20.212 153 HB2 PHE 22 HB2 PHE 22 0.733 -1.037 -20.354 154 HB3 PHE 22 HB3 PHE 22 -0.509 -2.263 -20.597 155 HD1 PHE 22 HD1 PHE 22 2.345 -1.841 -18.235 156 HD2 PHE 22 HD2 PHE 22 -1.816 -2.504 -18.760 157 HE1 PHE 22 HE1 PHE 22 2.057 -2.027 -15.814 158 HE2 PHE 22 HE2 PHE 22 -2.081 -2.735 -16.346 159 HZ PHE 22 HZ PHE 22 -0.140 -2.494 -14.857 160 H GLY 23 H GLY 23 3.148 -2.429 -22.521 161 HA2 GLY 23 HA2 GLY 23 2.591 -4.005 -24.614 162 HA3 GLY 23 HA3 GLY 23 1.230 -2.903 -24.687 163 HA PRO 24 HA PRO 24 3.973 -0.409 -27.121 164 HB2 PRO 24 HB2 PRO 24 2.207 1.361 -27.900 165 HB3 PRO 24 HB3 PRO 24 1.832 -0.360 -28.095 166 HG2 PRO 24 HG2 PRO 24 0.794 1.574 -26.089 167 HG3 PRO 24 HG3 PRO 24 -0.011 0.201 -26.866 168 HD2 PRO 24 HD2 PRO 24 1.327 0.260 -24.315 169 HD3 PRO 24 HD3 PRO 24 0.542 -1.128 -25.097 170 H SER 25 H SER 25 5.642 0.612 -25.986 171 HA SER 25 HA SER 25 6.762 2.319 -24.934 172 HB2 SER 25 HB2 SER 25 5.457 3.470 -26.941 173 HB3 SER 25 HB3 SER 25 4.544 4.213 -25.615 174 HG SER 25 HG SER 25 6.776 5.067 -26.548 175 H ILE 26 H ILE 26 4.163 0.975 -23.691 176 HA ILE 26 HA ILE 26 3.672 3.049 -21.718 177 HB ILE 26 HB ILE 26 1.889 1.580 -23.085 178 HG12 ILE 26 HG12 ILE 26 1.254 2.433 -20.291 179 HG13 ILE 26 HG13 ILE 26 1.684 3.631 -21.537 180 HG21 ILE 26 HG21 ILE 26 0.803 0.177 -21.288 181 HG22 ILE 26 HG22 ILE 26 2.383 0.197 -20.481 182 HG23 ILE 26 HG23 ILE 26 2.196 -0.511 -22.112 183 HD11 ILE 26 HD11 ILE 26 -0.821 2.265 -21.087 184 HD12 ILE 26 HD12 ILE 26 -0.213 1.928 -22.710 185 HD13 ILE 26 HD13 ILE 26 -0.452 3.589 -22.184 186 H CYS 27 H CYS 27 3.630 2.756 -19.663 187 HA CYS 27 HA CYS 27 4.753 0.475 -18.317 188 HB2 CYS 27 HB2 CYS 27 5.936 3.213 -18.613 189 HB3 CYS 27 HB3 CYS 27 6.179 2.335 -17.138 190 H CYS 28 H CYS 28 3.744 0.354 -16.264 191 HA CYS 28 HA CYS 28 2.329 2.692 -15.367 192 HB2 CYS 28 HB2 CYS 28 1.304 0.112 -16.167 193 HB3 CYS 28 HB3 CYS 28 0.600 0.762 -14.721 194 H GLY 29 H GLY 29 3.469 3.143 -13.544 195 HA2 GLY 29 HA2 GLY 29 4.230 0.958 -11.843 196 HA3 GLY 29 HA3 GLY 29 4.780 2.575 -11.713 197 H ASP 30 H ASP 30 3.857 1.044 -9.498 198 HA ASP 30 HA ASP 30 1.168 1.683 -8.926 199 HB2 ASP 30 HB2 ASP 30 2.995 0.005 -7.769 200 HB3 ASP 30 HB3 ASP 30 2.947 1.317 -6.599 201 H GLU 31 H GLU 31 3.895 2.781 -6.985 202 HA GLU 31 HA GLU 31 2.741 5.286 -6.341 203 HB2 GLU 31 HB2 GLU 31 4.984 5.721 -5.365 204 HB3 GLU 31 HB3 GLU 31 4.349 4.156 -4.867 205 HG2 GLU 31 HG2 GLU 31 6.018 3.043 -5.851 206 HG3 GLU 31 HG3 GLU 31 5.910 4.004 -7.342 207 H LEU 32 H LEU 32 3.953 4.062 -9.055 208 HA LEU 32 HA LEU 32 5.502 6.293 -10.016 209 HB2 LEU 32 HB2 LEU 32 5.704 3.626 -10.017 210 HB3 LEU 32 HB3 LEU 32 4.968 3.908 -11.557 211 HG LEU 32 HG LEU 32 7.681 4.259 -10.720 212 HD11 LEU 32 HD11 LEU 32 6.710 4.168 -13.501 213 HD12 LEU 32 HD12 LEU 32 6.353 2.781 -12.445 214 HD13 LEU 32 HD13 LEU 32 8.036 3.295 -12.729 215 HD21 LEU 32 HD21 LEU 32 7.998 6.400 -11.236 216 HD22 LEU 32 HD22 LEU 32 6.294 6.592 -11.652 217 HD23 LEU 32 HD23 LEU 32 7.446 6.038 -12.866 218 H GLY 33 H GLY 33 2.302 5.352 -10.196 219 HA2 GLY 33 HA2 GLY 33 0.562 6.266 -11.438 220 HA3 GLY 33 HA3 GLY 33 1.766 7.206 -12.268 221 H CYS 34 H CYS 34 0.636 6.810 -14.238 222 HA CYS 34 HA CYS 34 1.277 4.211 -15.345 223 HB2 CYS 34 HB2 CYS 34 -1.299 5.338 -14.856 224 HB3 CYS 34 HB3 CYS 34 -1.075 5.061 -16.570 225 H PHE 35 H PHE 35 2.887 4.836 -16.736 226 HA PHE 35 HA PHE 35 2.527 7.303 -18.277 227 HB2 PHE 35 HB2 PHE 35 4.930 5.511 -18.468 228 HB3 PHE 35 HB3 PHE 35 4.813 7.228 -18.809 229 HD1 PHE 35 HD1 PHE 35 4.788 4.732 -16.097 230 HD2 PHE 35 HD2 PHE 35 5.292 8.816 -17.167 231 HE1 PHE 35 HE1 PHE 35 5.618 5.231 -13.845 232 HE2 PHE 35 HE2 PHE 35 6.141 9.304 -14.916 233 HZ PHE 35 HZ PHE 35 6.303 7.511 -13.265 234 H VAL 36 H VAL 36 2.766 7.385 -20.512 235 HA VAL 36 HA VAL 36 2.731 4.899 -21.999 236 HB VAL 36 HB VAL 36 0.688 6.962 -22.754 237 HG11 VAL 36 HG11 VAL 36 1.616 4.965 -24.180 238 HG12 VAL 36 HG12 VAL 36 -0.113 5.353 -24.191 239 HG13 VAL 36 HG13 VAL 36 0.481 4.024 -23.205 240 HG21 VAL 36 HG21 VAL 36 0.349 6.121 -20.340 241 HG22 VAL 36 HG22 VAL 36 -0.045 4.577 -21.086 242 HG23 VAL 36 HG23 VAL 36 -1.008 6.000 -21.455 243 H GLY 37 H GLY 37 4.483 5.194 -23.112 244 HA2 GLY 37 HA2 GLY 37 5.916 6.084 -24.686 245 HA3 GLY 37 HA3 GLY 37 4.618 7.160 -25.171 246 H THR 38 H THR 38 6.592 6.729 -22.261 247 HA THR 38 HA THR 38 7.547 9.483 -22.438 248 HB THR 38 HB THR 38 6.204 8.244 -20.026 249 HG1 THR 38 HG1 THR 38 4.524 9.078 -20.932 250 HG21 THR 38 HG21 THR 38 6.714 10.002 -18.705 251 HG22 THR 38 HG22 THR 38 6.874 11.122 -20.057 252 HG23 THR 38 HG23 THR 38 8.169 9.985 -19.700 253 H ALA 39 H ALA 39 9.269 9.837 -20.578 254 HA ALA 39 HA ALA 39 11.413 8.130 -20.919 255 HB1 ALA 39 HB1 ALA 39 10.743 10.340 -19.133 256 HB2 ALA 39 HB2 ALA 39 12.260 9.964 -19.943 257 HB3 ALA 39 HB3 ALA 39 11.862 9.180 -18.412 258 H GLU 40 H GLU 40 9.071 8.242 -18.339 259 HA GLU 40 HA GLU 40 10.007 5.949 -16.934 260 HB2 GLU 40 HB2 GLU 40 7.909 7.908 -16.596 261 HB3 GLU 40 HB3 GLU 40 7.350 6.285 -16.240 262 HG2 GLU 40 HG2 GLU 40 8.158 6.701 -14.201 263 HG3 GLU 40 HG3 GLU 40 9.699 6.268 -14.933 264 H ALA 41 H ALA 41 9.111 5.892 -19.908 265 HA ALA 41 HA ALA 41 7.464 3.483 -19.692 266 HB1 ALA 41 HB1 ALA 41 6.357 5.666 -20.430 267 HB2 ALA 41 HB2 ALA 41 6.035 4.178 -21.321 268 HB3 ALA 41 HB3 ALA 41 7.189 5.357 -21.950 269 H LEU 42 H LEU 42 10.324 4.768 -20.925 270 HA LEU 42 HA LEU 42 10.526 3.376 -23.365 271 HB2 LEU 42 HB2 LEU 42 12.972 3.777 -23.096 272 HB3 LEU 42 HB3 LEU 42 11.978 5.215 -23.042 273 HG LEU 42 HG LEU 42 12.759 5.790 -21.030 274 HD11 LEU 42 HD11 LEU 42 12.545 4.572 -19.075 275 HD12 LEU 42 HD12 LEU 42 12.743 3.025 -19.889 276 HD13 LEU 42 HD13 LEU 42 11.238 3.939 -20.090 277 HD21 LEU 42 HD21 LEU 42 14.804 4.392 -20.240 278 HD22 LEU 42 HD22 LEU 42 14.891 5.310 -21.744 279 HD23 LEU 42 HD23 LEU 42 14.602 3.570 -21.788 280 H ARG 43 H ARG 43 10.503 2.396 -20.176 281 HA ARG 43 HA ARG 43 12.331 0.403 -19.903 282 HB2 ARG 43 HB2 ARG 43 10.059 1.310 -18.550 283 HB3 ARG 43 HB3 ARG 43 9.852 -0.407 -18.805 284 HG2 ARG 43 HG2 ARG 43 10.958 0.250 -16.653 285 HG3 ARG 43 HG3 ARG 43 11.824 -0.934 -17.627 286 HD2 ARG 43 HD2 ARG 43 13.371 0.687 -18.361 287 HD3 ARG 43 HD3 ARG 43 12.386 2.012 -17.740 288 HE ARG 43 HE ARG 43 12.897 0.821 -15.479 289 HH11 ARG 43 HH11 ARG 43 15.087 1.223 -18.174 290 HH12 ARG 43 HH12 ARG 43 16.502 1.235 -17.178 291 HH21 ARG 43 HH21 ARG 43 14.766 0.835 -14.180 292 HH22 ARG 43 HH22 ARG 43 16.322 1.022 -14.917 293 H CYS 44 H CYS 44 9.775 0.377 -22.160 294 HA CYS 44 HA CYS 44 9.406 -2.425 -22.100 295 HB2 CYS 44 HB2 CYS 44 8.252 -0.234 -23.513 296 HB3 CYS 44 HB3 CYS 44 8.560 -1.571 -24.614 297 H GLN 45 H GLN 45 11.756 -0.432 -23.445 298 HA GLN 45 HA GLN 45 12.586 -2.128 -25.543 299 HB2 GLN 45 HB2 GLN 45 13.520 0.327 -24.228 300 HB3 GLN 45 HB3 GLN 45 14.783 -0.660 -24.921 301 HG2 GLN 45 HG2 GLN 45 14.322 0.062 -26.959 302 HG3 GLN 45 HG3 GLN 45 12.631 -0.402 -26.785 303 HE21 GLN 45 HE21 GLN 45 11.961 1.305 -24.649 304 HE22 GLN 45 HE22 GLN 45 11.984 2.932 -25.230 305 H GLU 46 H GLU 46 13.151 -1.709 -22.229 306 HA GLU 46 HA GLU 46 15.478 -3.268 -21.875 307 HB2 GLU 46 HB2 GLU 46 15.228 -2.821 -19.639 308 HB3 GLU 46 HB3 GLU 46 14.155 -1.591 -20.311 309 HG2 GLU 46 HG2 GLU 46 12.918 -2.484 -18.592 310 HG3 GLU 46 HG3 GLU 46 12.302 -3.295 -20.033 311 H GLU 47 H GLU 47 12.126 -4.065 -22.202 312 HA GLU 47 HA GLU 47 12.391 -6.785 -21.265 313 HB2 GLU 47 HB2 GLU 47 10.228 -5.176 -22.568 314 HB3 GLU 47 HB3 GLU 47 10.101 -6.930 -22.537 315 HG2 GLU 47 HG2 GLU 47 10.625 -6.591 -19.992 316 HG3 GLU 47 HG3 GLU 47 9.991 -4.977 -20.304 317 H ASN 48 H ASN 48 14.167 -5.798 -23.466 318 HA ASN 48 HA ASN 48 13.348 -7.429 -25.699 319 HB2 ASN 48 HB2 ASN 48 14.850 -5.022 -25.415 320 HB3 ASN 48 HB3 ASN 48 15.854 -6.228 -26.212 321 HD21 ASN 48 HD21 ASN 48 12.456 -5.189 -26.289 322 HD22 ASN 48 HD22 ASN 48 12.344 -5.125 -28.013 323 H TYR 49 H TYR 49 15.488 -7.443 -23.011 324 HA TYR 49 HA TYR 49 17.197 -9.524 -24.160 325 HB2 TYR 49 HB2 TYR 49 18.540 -9.329 -22.188 326 HB3 TYR 49 HB3 TYR 49 18.143 -7.698 -22.732 327 HD1 TYR 49 HD1 TYR 49 15.179 -8.103 -21.478 328 HD2 TYR 49 HD2 TYR 49 19.161 -8.372 -20.008 329 HE1 TYR 49 HE1 TYR 49 14.380 -7.545 -19.233 330 HE2 TYR 49 HE2 TYR 49 18.365 -7.823 -17.750 331 HH TYR 49 HH TYR 49 14.934 -7.257 -17.088 332 H LEU 50 H LEU 50 14.207 -9.705 -23.273 333 HA LEU 50 HA LEU 50 14.471 -12.347 -22.063 334 HB2 LEU 50 HB2 LEU 50 13.214 -9.981 -20.849 335 HB3 LEU 50 HB3 LEU 50 12.210 -11.417 -20.835 336 HG LEU 50 HG LEU 50 13.410 -11.275 -18.755 337 HD11 LEU 50 HD11 LEU 50 13.067 -13.502 -19.673 338 HD12 LEU 50 HD12 LEU 50 14.565 -13.420 -18.750 339 HD13 LEU 50 HD13 LEU 50 14.613 -13.409 -20.513 340 HD21 LEU 50 HD21 LEU 50 15.338 -10.140 -18.824 341 HD22 LEU 50 HD22 LEU 50 15.635 -10.569 -20.504 342 HD23 LEU 50 HD23 LEU 50 16.063 -11.696 -19.221 343 HA PRO 51 HA PRO 51 11.533 -14.033 -24.890 344 HB2 PRO 51 HB2 PRO 51 9.788 -14.272 -22.452 345 HB3 PRO 51 HB3 PRO 51 10.003 -15.419 -23.786 346 HG2 PRO 51 HG2 PRO 51 11.338 -15.797 -21.545 347 HG3 PRO 51 HG3 PRO 51 12.162 -15.997 -23.106 348 HD2 PRO 51 HD2 PRO 51 12.376 -13.801 -21.120 349 HD3 PRO 51 HD3 PRO 51 13.607 -14.429 -22.233 350 H SER 52 H SER 52 10.273 -13.016 -26.283 351 HA SER 52 HA SER 52 9.284 -10.466 -26.015 352 HB2 SER 52 HB2 SER 52 9.398 -12.343 -28.040 353 HB3 SER 52 HB3 SER 52 7.668 -12.075 -27.837 354 HG SER 52 HG SER 52 9.086 -10.610 -29.262 355 HA PRO 53 HA PRO 53 4.872 -12.277 -25.097 356 HB2 PRO 53 HB2 PRO 53 4.828 -14.709 -23.847 357 HB3 PRO 53 HB3 PRO 53 4.678 -14.500 -25.594 358 HG2 PRO 53 HG2 PRO 53 7.087 -15.223 -23.975 359 HG3 PRO 53 HG3 PRO 53 6.525 -15.907 -25.511 360 HD2 PRO 53 HD2 PRO 53 8.522 -14.115 -25.399 361 HD3 PRO 53 HD3 PRO 53 7.367 -14.143 -26.750 362 H CYS 54 H CYS 54 3.680 -12.604 -23.060 363 HA CYS 54 HA CYS 54 4.752 -12.868 -20.548 364 HB2 CYS 54 HB2 CYS 54 5.418 -10.807 -19.758 365 HB3 CYS 54 HB3 CYS 54 5.957 -10.721 -21.420 366 H GLN 55 H GLN 55 3.118 -13.321 -19.281 367 HA GLN 55 HA GLN 55 0.958 -13.654 -18.625 368 HB2 GLN 55 HB2 GLN 55 -0.058 -11.617 -17.738 369 HB3 GLN 55 HB3 GLN 55 1.666 -11.671 -17.399 370 HG2 GLN 55 HG2 GLN 55 2.134 -10.084 -19.126 371 HG3 GLN 55 HG3 GLN 55 0.469 -10.128 -19.693 372 HE21 GLN 55 HE21 GLN 55 -1.143 -9.649 -17.825 373 HE22 GLN 55 HE22 GLN 55 -0.759 -8.257 -16.877 374 H SER 56 H SER 56 -0.945 -11.176 -19.364 375 HA SER 56 HA SER 56 -1.538 -11.397 -22.074 376 HB2 SER 56 HB2 SER 56 -3.299 -12.923 -22.182 377 HB3 SER 56 HB3 SER 56 -2.193 -13.721 -21.063 378 HG SER 56 HG SER 56 -3.545 -13.382 -19.458 379 H GLY 57 H GLY 57 -4.431 -11.108 -21.779 380 HA2 GLY 57 HA2 GLY 57 -4.631 -8.366 -21.361 381 HA3 GLY 57 HA3 GLY 57 -5.985 -9.478 -21.318 382 H GLN 58 H GLN 58 -4.787 -7.077 -19.614 383 HA GLN 58 HA GLN 58 -4.764 -8.307 -16.992 384 HB2 GLN 58 HB2 GLN 58 -3.841 -5.837 -18.110 385 HB3 GLN 58 HB3 GLN 58 -4.756 -5.603 -16.622 386 HG2 GLN 58 HG2 GLN 58 -2.415 -7.442 -16.997 387 HG3 GLN 58 HG3 GLN 58 -2.398 -5.882 -16.180 388 HE21 GLN 58 HE21 GLN 58 -2.424 -9.080 -15.640 389 HE22 GLN 58 HE22 GLN 58 -3.193 -9.128 -14.094 390 H LYS 59 H LYS 59 -6.495 -8.626 -15.854 391 HA LYS 59 HA LYS 59 -8.938 -8.546 -16.153 392 HB2 LYS 59 HB2 LYS 59 -8.029 -9.074 -14.019 393 HB3 LYS 59 HB3 LYS 59 -7.644 -7.390 -13.719 394 HG2 LYS 59 HG2 LYS 59 -10.422 -7.525 -14.187 395 HG3 LYS 59 HG3 LYS 59 -10.010 -8.846 -13.089 396 HD2 LYS 59 HD2 LYS 59 -8.619 -6.452 -12.308 397 HD3 LYS 59 HD3 LYS 59 -10.346 -6.123 -12.459 398 HE2 LYS 59 HE2 LYS 59 -9.982 -8.629 -11.133 399 HE3 LYS 59 HE3 LYS 59 -8.987 -7.408 -10.342 400 HZ1 LYS 59 HZ1 LYS 59 -11.883 -7.621 -10.507 401 HZ2 LYS 59 HZ2 LYS 59 -11.243 -6.058 -10.616 402 HZ3 LYS 59 HZ3 LYS 59 -10.909 -7.015 -9.262 403 HA PRO 60 HA PRO 60 -9.859 -4.399 -17.848 404 HB2 PRO 60 HB2 PRO 60 -12.388 -5.903 -18.245 405 HB3 PRO 60 HB3 PRO 60 -11.518 -4.862 -19.376 406 HG2 PRO 60 HG2 PRO 60 -11.465 -7.570 -19.529 407 HG3 PRO 60 HG3 PRO 60 -10.124 -6.541 -20.055 408 HD2 PRO 60 HD2 PRO 60 -10.302 -8.312 -17.722 409 HD3 PRO 60 HD3 PRO 60 -8.885 -7.633 -18.533 410 H CYS 61 H CYS 61 -11.514 -2.756 -17.085 411 HA CYS 61 HA CYS 61 -13.157 -3.639 -14.936 412 HB2 CYS 61 HB2 CYS 61 -12.137 -1.420 -13.782 413 HB3 CYS 61 HB3 CYS 61 -11.624 -3.056 -13.406 414 H GLY 62 H GLY 62 -14.738 -2.311 -14.388 415 HA2 GLY 62 HA2 GLY 62 -16.241 -1.072 -16.154 416 HA3 GLY 62 HA3 GLY 62 -16.262 -0.551 -14.485 417 H SER 63 H SER 63 -13.297 0.384 -15.249 418 HA SER 63 HA SER 63 -14.185 3.008 -15.957 419 HB2 SER 63 HB2 SER 63 -12.332 2.491 -14.249 420 HB3 SER 63 HB3 SER 63 -11.320 2.149 -15.653 421 HG SER 63 HG SER 63 -12.722 4.584 -15.468 422 H GLY 64 H GLY 64 -14.700 1.065 -17.845 423 HA2 GLY 64 HA2 GLY 64 -14.401 0.425 -20.022 424 HA3 GLY 64 HA3 GLY 64 -14.127 2.127 -20.243 425 H GLY 65 H GLY 65 -12.419 -0.770 -19.171 426 HA2 GLY 65 HA2 GLY 65 -10.475 -0.930 -20.968 427 HA3 GLY 65 HA3 GLY 65 -9.909 0.321 -19.902 428 H ARG 66 H ARG 66 -8.220 -0.981 -19.229 429 HA ARG 66 HA ARG 66 -9.011 -3.085 -17.404 430 HB2 ARG 66 HB2 ARG 66 -6.317 -3.313 -18.575 431 HB3 ARG 66 HB3 ARG 66 -7.418 -4.572 -18.042 432 HG2 ARG 66 HG2 ARG 66 -7.528 -3.037 -20.631 433 HG3 ARG 66 HG3 ARG 66 -7.158 -4.745 -20.403 434 HD2 ARG 66 HD2 ARG 66 -9.439 -4.938 -19.379 435 HD3 ARG 66 HD3 ARG 66 -9.780 -3.351 -20.033 436 HE ARG 66 HE ARG 66 -9.768 -5.810 -21.438 437 HH11 ARG 66 HH11 ARG 66 -9.050 -2.422 -21.770 438 HH12 ARG 66 HH12 ARG 66 -9.305 -2.415 -23.482 439 HH21 ARG 66 HH21 ARG 66 -10.113 -5.811 -23.669 440 HH22 ARG 66 HH22 ARG 66 -9.910 -4.342 -24.563 441 H CYS 67 H CYS 67 -7.440 -3.564 -15.571 442 HA CYS 67 HA CYS 67 -6.765 -1.075 -14.445 443 HB2 CYS 67 HB2 CYS 67 -7.309 -3.203 -13.187 444 HB3 CYS 67 HB3 CYS 67 -5.701 -3.755 -13.594 445 H ALA 68 H ALA 68 -4.408 -0.721 -13.630 446 HA ALA 68 HA ALA 68 -2.423 -1.732 -15.398 447 HB1 ALA 68 HB1 ALA 68 -2.573 -0.080 -16.889 448 HB2 ALA 68 HB2 ALA 68 -1.939 0.961 -15.609 449 HB3 ALA 68 HB3 ALA 68 -3.680 0.834 -15.849 450 H ALA 69 H ALA 69 -2.305 1.375 -13.742 451 HA ALA 69 HA ALA 69 -0.085 0.810 -12.245 452 HB1 ALA 69 HB1 ALA 69 -0.007 2.998 -12.300 453 HB2 ALA 69 HB2 ALA 69 -1.410 3.094 -11.240 454 HB3 ALA 69 HB3 ALA 69 -1.625 3.047 -12.985 455 H ALA 70 H ALA 70 -0.693 2.251 -9.966 456 HA ALA 70 HA ALA 70 -0.971 0.406 -7.956 457 HB1 ALA 70 HB1 ALA 70 -0.492 3.033 -7.952 458 HB2 ALA 70 HB2 ALA 70 -0.998 2.170 -6.485 459 HB3 ALA 70 HB3 ALA 70 -2.182 3.048 -7.455 460 H GLY 71 H GLY 71 -3.383 2.326 -9.537 461 HA2 GLY 71 HA2 GLY 71 -5.355 0.398 -9.298 462 HA3 GLY 71 HA3 GLY 71 -5.681 1.710 -8.194 463 H ILE 72 H ILE 72 -4.446 1.348 -11.417 464 HA ILE 72 HA ILE 72 -6.143 3.432 -12.464 465 HB ILE 72 HB ILE 72 -3.407 2.532 -13.141 466 HG12 ILE 72 HG12 ILE 72 -4.222 4.725 -11.867 467 HG13 ILE 72 HG13 ILE 72 -2.755 4.664 -12.832 468 HG21 ILE 72 HG21 ILE 72 -3.944 2.325 -15.306 469 HG22 ILE 72 HG22 ILE 72 -3.758 4.078 -15.267 470 HG23 ILE 72 HG23 ILE 72 -5.367 3.358 -15.171 471 HD11 ILE 72 HD11 ILE 72 -4.893 5.390 -14.565 472 HD12 ILE 72 HD12 ILE 72 -3.488 6.342 -14.053 473 HD13 ILE 72 HD13 ILE 72 -4.966 6.384 -13.102 474 H CYS 73 H CYS 73 -7.200 3.080 -14.444 475 HA CYS 73 HA CYS 73 -7.188 0.362 -15.365 476 HB2 CYS 73 HB2 CYS 73 -9.209 0.771 -13.980 477 HB3 CYS 73 HB3 CYS 73 -9.742 1.984 -15.112 478 H CYS 74 H CYS 74 -6.141 0.559 -17.038 479 HA CYS 74 HA CYS 74 -6.758 2.590 -19.053 480 HB2 CYS 74 HB2 CYS 74 -5.051 3.586 -17.924 481 HB3 CYS 74 HB3 CYS 74 -4.342 2.081 -17.411 482 H SER 75 H SER 75 -5.477 2.102 -21.073 483 HA SER 75 HA SER 75 -5.162 -0.781 -21.381 484 HB2 SER 75 HB2 SER 75 -6.130 1.304 -23.359 485 HB3 SER 75 HB3 SER 75 -5.909 -0.394 -23.748 486 HG SER 75 HG SER 75 -8.098 0.414 -23.078 487 HA PRO 76 HA PRO 76 -1.286 0.677 -23.252 488 HB2 PRO 76 HB2 PRO 76 -1.326 0.604 -25.999 489 HB3 PRO 76 HB3 PRO 76 -1.186 -0.829 -24.986 490 HG2 PRO 76 HG2 PRO 76 -3.333 -0.076 -26.708 491 HG3 PRO 76 HG3 PRO 76 -3.202 -1.516 -25.688 492 HD2 PRO 76 HD2 PRO 76 -4.641 1.009 -25.190 493 HD3 PRO 76 HD3 PRO 76 -4.901 -0.613 -24.520 494 H ASP 77 H ASP 77 -3.981 2.182 -24.808 495 HA ASP 77 HA ASP 77 -2.828 4.337 -26.123 496 HB2 ASP 77 HB2 ASP 77 -5.250 3.181 -26.136 497 HB3 ASP 77 HB3 ASP 77 -5.617 4.585 -25.151 498 H GLY 78 H GLY 78 -4.774 4.415 -23.130 499 HA2 GLY 78 HA2 GLY 78 -2.945 6.299 -21.998 500 HA3 GLY 78 HA3 GLY 78 -4.496 7.016 -22.344 501 H CYS 79 H CYS 79 -3.367 6.784 -19.666 502 HA CYS 79 HA CYS 79 -5.226 4.812 -18.597 503 HB2 CYS 79 HB2 CYS 79 -2.858 5.786 -17.097 504 HB3 CYS 79 HB3 CYS 79 -3.767 4.328 -16.859 505 H GLU 80 H GLU 80 -6.393 5.118 -16.942 506 HA GLU 80 HA GLU 80 -6.386 7.613 -15.481 507 HB2 GLU 80 HB2 GLU 80 -8.827 7.815 -15.694 508 HB3 GLU 80 HB3 GLU 80 -8.020 7.922 -17.249 509 HG2 GLU 80 HG2 GLU 80 -9.049 6.111 -18.041 510 HG3 GLU 80 HG3 GLU 80 -8.801 5.203 -16.551 511 H GLU 81 H GLU 81 -6.538 7.275 -13.294 512 HA GLU 81 HA GLU 81 -6.403 4.811 -12.218 513 HB2 GLU 81 HB2 GLU 81 -7.182 6.045 -10.070 514 HB3 GLU 81 HB3 GLU 81 -5.681 6.483 -10.843 515 HG2 GLU 81 HG2 GLU 81 -7.573 8.089 -12.044 516 HG3 GLU 81 HG3 GLU 81 -7.961 8.076 -10.343 517 H ASP 82 H ASP 82 -7.692 3.238 -11.636 518 HA ASP 82 HA ASP 82 -10.533 3.666 -11.719 519 HB2 ASP 82 HB2 ASP 82 -10.645 1.153 -11.856 520 HB3 ASP 82 HB3 ASP 82 -9.946 1.976 -13.242 521 HA PRO 83 HA PRO 83 -10.136 3.607 -7.231 522 HB2 PRO 83 HB2 PRO 83 -13.102 3.688 -7.726 523 HB3 PRO 83 HB3 PRO 83 -12.150 4.645 -6.581 524 HG2 PRO 83 HG2 PRO 83 -12.944 5.786 -8.777 525 HG3 PRO 83 HG3 PRO 83 -11.259 5.974 -8.262 526 HD2 PRO 83 HD2 PRO 83 -12.380 4.147 -10.353 527 HD3 PRO 83 HD3 PRO 83 -10.931 5.162 -10.426 528 H ALA 84 H ALA 84 -11.646 1.670 -9.487 529 HA ALA 84 HA ALA 84 -12.700 -0.390 -7.941 530 HB1 ALA 84 HB1 ALA 84 -11.786 -1.323 -10.462 531 HB2 ALA 84 HB2 ALA 84 -12.325 0.352 -10.678 532 HB3 ALA 84 HB3 ALA 84 -13.434 -0.869 -10.014 533 H CYS 85 H CYS 85 -9.580 0.426 -9.295 534 HA CYS 85 HA CYS 85 -8.423 -1.985 -8.346 535 HB2 CYS 85 HB2 CYS 85 -7.684 -0.182 -10.444 536 HB3 CYS 85 HB3 CYS 85 -6.339 -0.505 -9.368 537 H ASP 86 H ASP 86 -8.115 1.517 -7.315 538 HA ASP 86 HA ASP 86 -7.145 0.717 -4.792 539 HB2 ASP 86 HB2 ASP 86 -5.345 -0.153 -6.389 540 HB3 ASP 86 HB3 ASP 86 -4.871 1.546 -6.483 541 HA PRO 87 HA PRO 87 -5.541 5.138 -4.956 542 HB2 PRO 87 HB2 PRO 87 -5.763 6.375 -7.501 543 HB3 PRO 87 HB3 PRO 87 -4.348 5.608 -6.823 544 HG2 PRO 87 HG2 PRO 87 -5.667 4.643 -9.034 545 HG3 PRO 87 HG3 PRO 87 -4.769 3.620 -7.905 546 HD2 PRO 87 HD2 PRO 87 -7.696 4.275 -7.808 547 HD3 PRO 87 HD3 PRO 87 -6.985 2.668 -7.892 548 H GLU 88 H GLU 88 -7.641 5.936 -7.545 549 HA GLU 88 HA GLU 88 -8.899 8.078 -6.150 550 HB2 GLU 88 HB2 GLU 88 -8.671 7.774 -8.699 551 HB3 GLU 88 HB3 GLU 88 -10.010 6.618 -8.560 552 HG2 GLU 88 HG2 GLU 88 -11.305 8.378 -8.970 553 HG3 GLU 88 HG3 GLU 88 -11.026 8.786 -7.276 554 H ALA 89 H ALA 89 -8.886 4.963 -5.861 555 HA ALA 89 HA ALA 89 -11.367 3.889 -5.675 556 HB1 ALA 89 HB1 ALA 89 -9.457 2.605 -5.995 557 HB2 ALA 89 HB2 ALA 89 -10.141 2.110 -4.448 558 HB3 ALA 89 HB3 ALA 89 -8.742 3.180 -4.499 559 H ALA 90 H ALA 90 -11.586 2.433 -3.899 560 HA ALA 90 HA ALA 90 -12.692 3.580 -1.498 561 HB1 ALA 90 HB1 ALA 90 -13.187 1.091 -3.169 562 HB2 ALA 90 HB2 ALA 90 -14.302 2.470 -2.936 563 HB3 ALA 90 HB3 ALA 90 -13.959 1.391 -1.592 564 H PHE 91 H PHE 91 -12.685 0.798 -0.326 565 HA PHE 91 HA PHE 91 -10.092 0.867 0.738 566 HB2 PHE 91 HB2 PHE 91 -10.915 -0.597 2.224 567 HB3 PHE 91 HB3 PHE 91 -12.449 -0.382 1.409 568 HD1 PHE 91 HD1 PHE 91 -12.946 -2.030 -0.543 569 HD2 PHE 91 HD2 PHE 91 -10.008 -2.696 2.462 570 HE1 PHE 91 HE1 PHE 91 -13.034 -4.447 -0.993 571 HE2 PHE 91 HE2 PHE 91 -10.098 -5.115 2.020 572 HZ PHE 91 HZ PHE 91 -11.611 -5.993 0.289 573 H SER 92 H SER 92 -10.936 0.089 -2.326 574 HA SER 92 HA SER 92 -9.385 -2.182 -2.928 575 HB2 SER 92 HB2 SER 92 -11.182 -1.314 -4.394 576 HB3 SER 92 HB3 SER 92 -10.249 0.186 -4.657 577 HG SER 92 HG SER 92 -9.394 -2.438 -5.369 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 2.670 -14.608 -22.816 2 H2 ALA 1 H2 ALA 1 2.065 -15.728 -23.965 3 H3 ALA 1 H3 ALA 1 3.234 -16.224 -22.813 4 HA ALA 1 HA ALA 1 0.821 -15.074 -21.755 5 HB1 ALA 1 HB1 ALA 1 0.037 -17.684 -22.090 6 HB2 ALA 1 HB2 ALA 1 0.762 -17.286 -23.649 7 HB3 ALA 1 HB3 ALA 1 -0.554 -16.302 -23.012 8 H VAL 2 H VAL 2 3.016 -17.871 -21.922 9 HA VAL 2 HA VAL 2 2.562 -18.839 -19.349 10 HB VAL 2 HB VAL 2 4.783 -19.925 -19.535 11 HG11 VAL 2 HG11 VAL 2 2.538 -20.215 -21.301 12 HG12 VAL 2 HG12 VAL 2 3.576 -21.454 -20.599 13 HG13 VAL 2 HG13 VAL 2 4.023 -20.688 -22.125 14 HG21 VAL 2 HG21 VAL 2 4.999 -18.463 -22.166 15 HG22 VAL 2 HG22 VAL 2 6.140 -19.636 -21.510 16 HG23 VAL 2 HG23 VAL 2 5.921 -18.082 -20.712 17 H LEU 3 H LEU 3 4.615 -18.930 -17.780 18 HA LEU 3 HA LEU 3 4.744 -16.399 -16.618 19 HB2 LEU 3 HB2 LEU 3 5.686 -19.113 -16.034 20 HB3 LEU 3 HB3 LEU 3 6.673 -17.841 -15.347 21 HG LEU 3 HG LEU 3 5.250 -17.958 -13.609 22 HD11 LEU 3 HD11 LEU 3 3.431 -16.466 -13.735 23 HD12 LEU 3 HD12 LEU 3 3.271 -16.718 -15.478 24 HD13 LEU 3 HD13 LEU 3 4.675 -15.862 -14.838 25 HD21 LEU 3 HD21 LEU 3 3.114 -19.068 -15.420 26 HD22 LEU 3 HD22 LEU 3 3.084 -19.020 -13.658 27 HD23 LEU 3 HD23 LEU 3 4.252 -20.043 -14.492 28 H ASP 4 H ASP 4 6.878 -15.524 -15.766 29 HA ASP 4 HA ASP 4 8.458 -14.811 -17.973 30 HB2 ASP 4 HB2 ASP 4 7.961 -13.319 -16.027 31 HB3 ASP 4 HB3 ASP 4 9.046 -14.304 -15.081 32 H LEU 5 H LEU 5 9.619 -15.976 -14.911 33 HA LEU 5 HA LEU 5 11.691 -17.477 -16.181 34 HB2 LEU 5 HB2 LEU 5 12.865 -17.525 -14.209 35 HB3 LEU 5 HB3 LEU 5 11.968 -16.044 -14.049 36 HG LEU 5 HG LEU 5 11.997 -17.131 -11.932 37 HD11 LEU 5 HD11 LEU 5 10.050 -16.399 -11.528 38 HD12 LEU 5 HD12 LEU 5 9.391 -17.917 -12.082 39 HD13 LEU 5 HD13 LEU 5 9.588 -16.586 -13.212 40 HD21 LEU 5 HD21 LEU 5 11.188 -19.558 -13.397 41 HD22 LEU 5 HD22 LEU 5 10.883 -19.382 -11.674 42 HD23 LEU 5 HD23 LEU 5 12.532 -19.321 -12.297 43 H ASP 6 H ASP 6 9.285 -18.120 -13.818 44 HA ASP 6 HA ASP 6 8.284 -20.428 -15.056 45 HB2 ASP 6 HB2 ASP 6 10.340 -20.706 -13.175 46 HB3 ASP 6 HB3 ASP 6 8.872 -21.192 -12.362 47 H VAL 7 H VAL 7 8.548 -18.550 -12.121 48 HA VAL 7 HA VAL 7 5.666 -18.613 -11.714 49 HB VAL 7 HB VAL 7 7.792 -19.225 -10.080 50 HG11 VAL 7 HG11 VAL 7 6.518 -16.666 -9.310 51 HG12 VAL 7 HG12 VAL 7 8.218 -16.986 -9.637 52 HG13 VAL 7 HG13 VAL 7 7.445 -17.669 -8.200 53 HG21 VAL 7 HG21 VAL 7 5.455 -20.138 -10.087 54 HG22 VAL 7 HG22 VAL 7 4.984 -18.712 -9.163 55 HG23 VAL 7 HG23 VAL 7 6.155 -19.850 -8.495 56 H ARG 8 H ARG 8 8.009 -16.569 -12.871 57 HA ARG 8 HA ARG 8 7.270 -14.251 -11.473 58 HB2 ARG 8 HB2 ARG 8 9.176 -14.931 -13.625 59 HB3 ARG 8 HB3 ARG 8 8.743 -13.254 -13.421 60 HG2 ARG 8 HG2 ARG 8 9.612 -13.191 -11.242 61 HG3 ARG 8 HG3 ARG 8 9.701 -14.956 -11.180 62 HD2 ARG 8 HD2 ARG 8 11.487 -15.007 -12.735 63 HD3 ARG 8 HD3 ARG 8 11.278 -13.308 -13.146 64 HE ARG 8 HE ARG 8 11.913 -13.019 -10.642 65 HH11 ARG 8 HH11 ARG 8 13.292 -15.332 -12.882 66 HH12 ARG 8 HH12 ARG 8 14.812 -15.394 -12.060 67 HH21 ARG 8 HH21 ARG 8 13.915 -13.109 -9.584 68 HH22 ARG 8 HH22 ARG 8 15.168 -14.135 -10.200 69 H THR 9 H THR 9 6.423 -12.313 -12.386 70 HA THR 9 HA THR 9 4.221 -12.718 -14.092 71 HB THR 9 HB THR 9 4.532 -10.002 -13.869 72 HG1 THR 9 HG1 THR 9 4.978 -10.349 -11.322 73 HG21 THR 9 HG21 THR 9 3.245 -11.258 -11.556 74 HG22 THR 9 HG22 THR 9 2.654 -11.786 -13.132 75 HG23 THR 9 HG23 THR 9 2.623 -10.077 -12.708 76 H CYS 10 H CYS 10 4.029 -10.505 -15.670 77 HA CYS 10 HA CYS 10 5.590 -11.201 -17.935 78 HB2 CYS 10 HB2 CYS 10 4.309 -8.503 -17.731 79 HB3 CYS 10 HB3 CYS 10 4.385 -9.600 -19.105 80 H LEU 11 H LEU 11 6.509 -8.950 -19.112 81 HA LEU 11 HA LEU 11 8.969 -8.492 -17.757 82 HB2 LEU 11 HB2 LEU 11 7.708 -7.495 -20.271 83 HB3 LEU 11 HB3 LEU 11 9.135 -6.683 -19.652 84 HG LEU 11 HG LEU 11 10.415 -8.761 -19.805 85 HD11 LEU 11 HD11 LEU 11 8.058 -10.033 -21.143 86 HD12 LEU 11 HD12 LEU 11 8.324 -10.196 -19.409 87 HD13 LEU 11 HD13 LEU 11 9.533 -10.786 -20.541 88 HD21 LEU 11 HD21 LEU 11 9.062 -7.539 -22.072 89 HD22 LEU 11 HD22 LEU 11 9.754 -9.117 -22.407 90 HD23 LEU 11 HD23 LEU 11 10.773 -7.814 -21.802 91 HA PRO 12 HA PRO 12 7.290 -5.295 -15.201 92 HB2 PRO 12 HB2 PRO 12 10.004 -4.738 -14.329 93 HB3 PRO 12 HB3 PRO 12 8.648 -5.385 -13.409 94 HG2 PRO 12 HG2 PRO 12 10.853 -6.827 -14.143 95 HG3 PRO 12 HG3 PRO 12 9.270 -7.531 -13.788 96 HD2 PRO 12 HD2 PRO 12 10.601 -7.057 -16.400 97 HD3 PRO 12 HD3 PRO 12 9.444 -8.319 -15.934 98 H CYS 13 H CYS 13 7.984 -3.037 -14.517 99 HA CYS 13 HA CYS 13 9.317 -1.540 -16.568 100 HB2 CYS 13 HB2 CYS 13 6.820 -1.620 -17.039 101 HB3 CYS 13 HB3 CYS 13 6.615 -0.685 -15.564 102 H GLY 14 H GLY 14 8.600 0.958 -15.557 103 HA2 GLY 14 HA2 GLY 14 9.383 2.522 -14.018 104 HA3 GLY 14 HA3 GLY 14 8.751 1.382 -12.863 105 HA PRO 15 HA PRO 15 13.212 1.600 -12.012 106 HB2 PRO 15 HB2 PRO 15 13.069 2.007 -9.395 107 HB3 PRO 15 HB3 PRO 15 12.631 3.300 -10.526 108 HG2 PRO 15 HG2 PRO 15 10.811 1.383 -9.104 109 HG3 PRO 15 HG3 PRO 15 10.722 3.157 -9.168 110 HD2 PRO 15 HD2 PRO 15 9.291 1.577 -10.832 111 HD3 PRO 15 HD3 PRO 15 9.907 3.163 -11.328 112 H GLY 16 H GLY 16 13.540 -0.589 -12.553 113 HA2 GLY 16 HA2 GLY 16 14.502 -2.588 -11.694 114 HA3 GLY 16 HA3 GLY 16 13.501 -2.415 -10.259 115 H GLY 17 H GLY 17 11.135 -2.606 -10.637 116 HA2 GLY 17 HA2 GLY 17 10.051 -3.777 -12.892 117 HA3 GLY 17 HA3 GLY 17 10.481 -5.072 -11.802 118 H LYS 18 H LYS 18 9.454 -1.886 -11.054 119 HA LYS 18 HA LYS 18 7.575 -2.551 -9.123 120 HB2 LYS 18 HB2 LYS 18 8.646 -0.208 -10.467 121 HB3 LYS 18 HB3 LYS 18 6.973 -0.021 -9.967 122 HG2 LYS 18 HG2 LYS 18 8.917 0.705 -8.447 123 HG3 LYS 18 HG3 LYS 18 7.472 -0.053 -7.781 124 HD2 LYS 18 HD2 LYS 18 8.602 -2.188 -7.777 125 HD3 LYS 18 HD3 LYS 18 10.036 -1.458 -8.467 126 HE2 LYS 18 HE2 LYS 18 10.670 -1.358 -6.291 127 HE3 LYS 18 HE3 LYS 18 9.722 0.128 -6.333 128 HZ1 LYS 18 HZ1 LYS 18 8.189 -2.249 -5.757 129 HZ2 LYS 18 HZ2 LYS 18 8.167 -0.736 -5.003 130 HZ3 LYS 18 HZ3 LYS 18 9.347 -1.872 -4.583 131 H GLY 19 H GLY 19 7.436 -2.066 -12.483 132 HA2 GLY 19 HA2 GLY 19 4.612 -2.683 -12.509 133 HA3 GLY 19 HA3 GLY 19 5.248 -1.377 -13.494 134 H ARG 20 H ARG 20 4.486 -2.359 -15.260 135 HA ARG 20 HA ARG 20 6.285 -4.173 -16.554 136 HB2 ARG 20 HB2 ARG 20 4.740 -5.907 -17.034 137 HB3 ARG 20 HB3 ARG 20 4.748 -5.662 -15.292 138 HG2 ARG 20 HG2 ARG 20 2.600 -5.097 -15.252 139 HG3 ARG 20 HG3 ARG 20 2.773 -4.052 -16.666 140 HD2 ARG 20 HD2 ARG 20 1.633 -5.588 -17.802 141 HD3 ARG 20 HD3 ARG 20 3.074 -6.597 -17.674 142 HE ARG 20 HE ARG 20 2.014 -7.872 -16.094 143 HH11 ARG 20 HH11 ARG 20 0.181 -4.946 -16.651 144 HH12 ARG 20 HH12 ARG 20 -1.186 -5.501 -15.745 145 HH21 ARG 20 HH21 ARG 20 0.228 -8.558 -14.908 146 HH22 ARG 20 HH22 ARG 20 -1.155 -7.529 -14.786 147 H CYS 21 H CYS 21 5.264 -4.669 -18.873 148 HA CYS 21 HA CYS 21 4.829 -2.128 -20.059 149 HB2 CYS 21 HB2 CYS 21 5.151 -4.909 -20.970 150 HB3 CYS 21 HB3 CYS 21 4.336 -3.823 -22.068 151 H PHE 22 H PHE 22 3.091 -2.108 -21.911 152 HA PHE 22 HA PHE 22 0.536 -3.228 -21.152 153 HB2 PHE 22 HB2 PHE 22 1.155 -0.380 -20.531 154 HB3 PHE 22 HB3 PHE 22 -0.449 -0.743 -21.156 155 HD1 PHE 22 HD1 PHE 22 1.965 -1.809 -18.541 156 HD2 PHE 22 HD2 PHE 22 -2.114 -1.396 -19.687 157 HE1 PHE 22 HE1 PHE 22 1.265 -2.512 -16.294 158 HE2 PHE 22 HE2 PHE 22 -2.823 -2.096 -17.435 159 HZ PHE 22 HZ PHE 22 -1.130 -2.659 -15.736 160 H GLY 23 H GLY 23 2.143 -0.781 -23.140 161 HA2 GLY 23 HA2 GLY 23 1.035 -1.895 -25.535 162 HA3 GLY 23 HA3 GLY 23 0.167 -0.453 -25.078 163 HA PRO 24 HA PRO 24 3.323 1.522 -27.545 164 HB2 PRO 24 HB2 PRO 24 2.083 3.839 -27.901 165 HB3 PRO 24 HB3 PRO 24 1.382 2.350 -28.545 166 HG2 PRO 24 HG2 PRO 24 0.599 3.931 -26.145 167 HG3 PRO 24 HG3 PRO 24 -0.419 3.023 -27.275 168 HD2 PRO 24 HD2 PRO 24 0.517 2.144 -24.747 169 HD3 PRO 24 HD3 PRO 24 -0.286 1.160 -25.986 170 H SER 25 H SER 25 5.140 1.833 -26.273 171 HA SER 25 HA SER 25 6.627 2.950 -24.922 172 HB2 SER 25 HB2 SER 25 5.728 4.809 -26.585 173 HB3 SER 25 HB3 SER 25 4.936 5.431 -25.128 174 HG SER 25 HG SER 25 7.561 4.807 -24.698 175 H ILE 26 H ILE 26 3.806 1.972 -23.969 176 HA ILE 26 HA ILE 26 3.718 3.517 -21.484 177 HB ILE 26 HB ILE 26 1.725 3.301 -23.163 178 HG12 ILE 26 HG12 ILE 26 1.289 2.827 -20.206 179 HG13 ILE 26 HG13 ILE 26 1.656 4.403 -20.936 180 HG21 ILE 26 HG21 ILE 26 1.514 0.811 -21.515 181 HG22 ILE 26 HG22 ILE 26 1.742 0.891 -23.265 182 HG23 ILE 26 HG23 ILE 26 0.233 1.453 -22.541 183 HD11 ILE 26 HD11 ILE 26 -0.487 3.262 -22.395 184 HD12 ILE 26 HD12 ILE 26 -0.509 4.693 -21.368 185 HD13 ILE 26 HD13 ILE 26 -0.862 3.117 -20.678 186 H CYS 27 H CYS 27 3.018 2.511 -19.645 187 HA CYS 27 HA CYS 27 2.955 -0.256 -19.260 188 HB2 CYS 27 HB2 CYS 27 4.890 -0.675 -18.056 189 HB3 CYS 27 HB3 CYS 27 5.431 0.233 -19.433 190 H CYS 28 H CYS 28 3.336 -0.515 -16.723 191 HA CYS 28 HA CYS 28 2.204 1.638 -15.216 192 HB2 CYS 28 HB2 CYS 28 0.425 -0.029 -16.430 193 HB3 CYS 28 HB3 CYS 28 0.629 -0.813 -14.865 194 H GLY 29 H GLY 29 2.526 1.336 -12.955 195 HA2 GLY 29 HA2 GLY 29 3.999 -1.069 -12.341 196 HA3 GLY 29 HA3 GLY 29 4.423 0.464 -11.701 197 H ASP 30 H ASP 30 3.982 -1.465 -9.854 198 HA ASP 30 HA ASP 30 1.254 -1.647 -9.127 199 HB2 ASP 30 HB2 ASP 30 3.645 -2.895 -8.327 200 HB3 ASP 30 HB3 ASP 30 3.033 -2.087 -6.887 201 H GLU 31 H GLU 31 3.783 -0.382 -7.018 202 HA GLU 31 HA GLU 31 2.055 1.624 -5.953 203 HB2 GLU 31 HB2 GLU 31 4.040 2.251 -4.632 204 HB3 GLU 31 HB3 GLU 31 3.741 0.518 -4.547 205 HG2 GLU 31 HG2 GLU 31 5.750 0.068 -5.367 206 HG3 GLU 31 HG3 GLU 31 5.467 1.102 -6.772 207 H LEU 32 H LEU 32 3.718 1.232 -8.701 208 HA LEU 32 HA LEU 32 4.956 3.722 -9.097 209 HB2 LEU 32 HB2 LEU 32 4.964 1.101 -9.995 210 HB3 LEU 32 HB3 LEU 32 4.586 2.074 -11.349 211 HG LEU 32 HG LEU 32 7.069 1.936 -9.801 212 HD11 LEU 32 HD11 LEU 32 6.911 2.198 -12.717 213 HD12 LEU 32 HD12 LEU 32 6.222 0.719 -12.016 214 HD13 LEU 32 HD13 LEU 32 7.916 1.139 -11.723 215 HD21 LEU 32 HD21 LEU 32 6.455 4.350 -9.995 216 HD22 LEU 32 HD22 LEU 32 6.434 4.118 -11.739 217 HD23 LEU 32 HD23 LEU 32 7.931 3.906 -10.852 218 H GLY 33 H GLY 33 1.922 2.307 -10.003 219 HA2 GLY 33 HA2 GLY 33 0.055 3.320 -10.939 220 HA3 GLY 33 HA3 GLY 33 0.972 4.799 -10.991 221 H CYS 34 H CYS 34 -0.063 5.067 -13.133 222 HA CYS 34 HA CYS 34 1.200 3.367 -15.150 223 HB2 CYS 34 HB2 CYS 34 -1.460 4.283 -14.813 224 HB3 CYS 34 HB3 CYS 34 -0.851 4.821 -16.371 225 H PHE 35 H PHE 35 2.365 4.133 -16.781 226 HA PHE 35 HA PHE 35 2.552 7.060 -17.130 227 HB2 PHE 35 HB2 PHE 35 4.974 5.349 -17.530 228 HB3 PHE 35 HB3 PHE 35 4.874 7.065 -17.190 229 HD1 PHE 35 HD1 PHE 35 4.213 3.761 -15.652 230 HD2 PHE 35 HD2 PHE 35 5.311 7.828 -15.107 231 HE1 PHE 35 HE1 PHE 35 4.639 3.321 -13.273 232 HE2 PHE 35 HE2 PHE 35 5.742 7.400 -12.728 233 HZ PHE 35 HZ PHE 35 5.401 5.144 -11.818 234 H VAL 36 H VAL 36 2.677 7.737 -19.256 235 HA VAL 36 HA VAL 36 2.767 5.623 -21.312 236 HB VAL 36 HB VAL 36 1.305 8.211 -21.728 237 HG11 VAL 36 HG11 VAL 36 0.738 7.361 -23.728 238 HG12 VAL 36 HG12 VAL 36 0.446 5.750 -23.073 239 HG13 VAL 36 HG13 VAL 36 2.098 6.257 -23.471 240 HG21 VAL 36 HG21 VAL 36 0.339 5.712 -20.402 241 HG22 VAL 36 HG22 VAL 36 -0.773 6.727 -21.319 242 HG23 VAL 36 HG23 VAL 36 0.088 7.386 -19.928 243 H GLY 37 H GLY 37 4.655 5.737 -22.253 244 HA2 GLY 37 HA2 GLY 37 6.418 6.599 -23.460 245 HA3 GLY 37 HA3 GLY 37 5.431 8.024 -23.746 246 H THR 38 H THR 38 5.549 7.602 -20.475 247 HA THR 38 HA THR 38 7.224 9.846 -20.033 248 HB THR 38 HB THR 38 6.357 7.830 -17.964 249 HG1 THR 38 HG1 THR 38 4.363 8.412 -18.225 250 HG21 THR 38 HG21 THR 38 7.789 9.852 -17.313 251 HG22 THR 38 HG22 THR 38 6.319 9.543 -16.402 252 HG23 THR 38 HG23 THR 38 6.344 10.804 -17.633 253 H ALA 39 H ALA 39 8.946 9.565 -18.184 254 HA ALA 39 HA ALA 39 11.129 8.164 -19.246 255 HB1 ALA 39 HB1 ALA 39 11.194 10.212 -17.802 256 HB2 ALA 39 HB2 ALA 39 12.335 8.947 -17.345 257 HB3 ALA 39 HB3 ALA 39 10.848 9.170 -16.422 258 H GLU 40 H GLU 40 9.069 7.452 -16.412 259 HA GLU 40 HA GLU 40 10.444 5.041 -15.782 260 HB2 GLU 40 HB2 GLU 40 8.183 6.570 -14.756 261 HB3 GLU 40 HB3 GLU 40 7.953 4.837 -14.631 262 HG2 GLU 40 HG2 GLU 40 9.040 5.033 -12.698 263 HG3 GLU 40 HG3 GLU 40 10.488 5.104 -13.700 264 H ALA 41 H ALA 41 8.347 5.789 -18.291 265 HA ALA 41 HA ALA 41 7.151 3.127 -18.414 266 HB1 ALA 41 HB1 ALA 41 5.715 5.065 -18.677 267 HB2 ALA 41 HB2 ALA 41 5.707 4.042 -20.108 268 HB3 ALA 41 HB3 ALA 41 6.638 5.539 -20.092 269 H LEU 42 H LEU 42 9.871 4.603 -19.705 270 HA LEU 42 HA LEU 42 9.757 3.666 -22.335 271 HB2 LEU 42 HB2 LEU 42 12.268 3.972 -22.219 272 HB3 LEU 42 HB3 LEU 42 11.270 5.384 -21.941 273 HG LEU 42 HG LEU 42 12.062 5.692 -19.866 274 HD11 LEU 42 HD11 LEU 42 10.840 3.637 -19.071 275 HD12 LEU 42 HD12 LEU 42 12.295 4.059 -18.170 276 HD13 LEU 42 HD13 LEU 42 12.339 2.744 -19.341 277 HD21 LEU 42 HD21 LEU 42 14.309 5.207 -19.644 278 HD22 LEU 42 HD22 LEU 42 14.050 5.102 -21.385 279 HD23 LEU 42 HD23 LEU 42 14.147 3.631 -20.418 280 H ARG 43 H ARG 43 10.122 2.002 -19.432 281 HA ARG 43 HA ARG 43 11.958 0.038 -19.882 282 HB2 ARG 43 HB2 ARG 43 9.806 0.485 -18.139 283 HB3 ARG 43 HB3 ARG 43 9.668 -1.159 -18.734 284 HG2 ARG 43 HG2 ARG 43 10.957 -1.017 -16.652 285 HG3 ARG 43 HG3 ARG 43 11.924 -1.641 -17.990 286 HD2 ARG 43 HD2 ARG 43 13.193 0.264 -18.135 287 HD3 ARG 43 HD3 ARG 43 11.922 1.285 -17.466 288 HE ARG 43 HE ARG 43 12.619 0.733 -15.327 289 HH11 ARG 43 HH11 ARG 43 14.383 -1.137 -17.696 290 HH12 ARG 43 HH12 ARG 43 15.584 -1.656 -16.563 291 HH21 ARG 43 HH21 ARG 43 14.193 0.045 -13.859 292 HH22 ARG 43 HH22 ARG 43 15.461 -1.008 -14.382 293 H CYS 44 H CYS 44 8.978 0.470 -21.598 294 HA CYS 44 HA CYS 44 8.728 -2.222 -22.434 295 HB2 CYS 44 HB2 CYS 44 7.180 0.068 -22.682 296 HB3 CYS 44 HB3 CYS 44 7.607 -0.349 -24.337 297 H GLN 45 H GLN 45 10.869 0.224 -23.263 298 HA GLN 45 HA GLN 45 11.434 -0.512 -25.919 299 HB2 GLN 45 HB2 GLN 45 12.538 1.273 -23.897 300 HB3 GLN 45 HB3 GLN 45 13.777 0.539 -24.893 301 HG2 GLN 45 HG2 GLN 45 13.247 2.559 -25.947 302 HG3 GLN 45 HG3 GLN 45 12.436 1.313 -26.893 303 HE21 GLN 45 HE21 GLN 45 11.747 3.269 -24.006 304 HE22 GLN 45 HE22 GLN 45 10.151 3.725 -24.489 305 H GLU 46 H GLU 46 12.007 -1.813 -22.882 306 HA GLU 46 HA GLU 46 14.341 -3.389 -23.568 307 HB2 GLU 46 HB2 GLU 46 14.411 -4.048 -21.360 308 HB3 GLU 46 HB3 GLU 46 13.592 -2.501 -21.207 309 HG2 GLU 46 HG2 GLU 46 12.205 -3.721 -19.924 310 HG3 GLU 46 HG3 GLU 46 11.459 -4.069 -21.485 311 H GLU 47 H GLU 47 10.984 -3.529 -23.978 312 HA GLU 47 HA GLU 47 10.756 -6.411 -24.101 313 HB2 GLU 47 HB2 GLU 47 8.956 -4.155 -24.098 314 HB3 GLU 47 HB3 GLU 47 8.559 -5.243 -25.423 315 HG2 GLU 47 HG2 GLU 47 9.087 -6.756 -23.094 316 HG3 GLU 47 HG3 GLU 47 7.930 -5.500 -22.691 317 H ASN 48 H ASN 48 12.245 -4.261 -26.052 318 HA ASN 48 HA ASN 48 11.336 -5.315 -28.561 319 HB2 ASN 48 HB2 ASN 48 11.840 -2.884 -28.230 320 HB3 ASN 48 HB3 ASN 48 13.541 -3.321 -28.070 321 HD21 ASN 48 HD21 ASN 48 13.436 -1.697 -29.933 322 HD22 ASN 48 HD22 ASN 48 13.324 -2.380 -31.516 323 H TYR 49 H TYR 49 13.599 -6.188 -26.243 324 HA TYR 49 HA TYR 49 15.693 -7.075 -27.992 325 HB2 TYR 49 HB2 TYR 49 15.053 -7.681 -25.100 326 HB3 TYR 49 HB3 TYR 49 16.441 -8.375 -25.943 327 HD1 TYR 49 HD1 TYR 49 14.925 -5.216 -24.783 328 HD2 TYR 49 HD2 TYR 49 18.421 -7.104 -26.294 329 HE1 TYR 49 HE1 TYR 49 16.227 -3.205 -24.250 330 HE2 TYR 49 HE2 TYR 49 19.740 -5.094 -25.768 331 HH TYR 49 HH TYR 49 18.303 -2.340 -24.080 332 H LEU 50 H LEU 50 13.860 -9.161 -25.771 333 HA LEU 50 HA LEU 50 13.241 -10.946 -28.016 334 HB2 LEU 50 HB2 LEU 50 15.161 -11.448 -25.985 335 HB3 LEU 50 HB3 LEU 50 13.807 -12.526 -25.706 336 HG LEU 50 HG LEU 50 14.231 -12.774 -28.423 337 HD11 LEU 50 HD11 LEU 50 16.288 -11.539 -28.372 338 HD12 LEU 50 HD12 LEU 50 16.656 -13.247 -28.616 339 HD13 LEU 50 HD13 LEU 50 16.890 -12.512 -27.030 340 HD21 LEU 50 HD21 LEU 50 15.717 -14.646 -26.696 341 HD22 LEU 50 HD22 LEU 50 14.474 -14.956 -27.909 342 HD23 LEU 50 HD23 LEU 50 14.015 -14.415 -26.295 343 HA PRO 51 HA PRO 51 9.219 -10.038 -26.035 344 HB2 PRO 51 HB2 PRO 51 8.677 -12.112 -28.136 345 HB3 PRO 51 HB3 PRO 51 7.708 -10.701 -27.674 346 HG2 PRO 51 HG2 PRO 51 9.227 -10.540 -29.811 347 HG3 PRO 51 HG3 PRO 51 9.208 -9.199 -28.645 348 HD2 PRO 51 HD2 PRO 51 11.297 -11.288 -29.086 349 HD3 PRO 51 HD3 PRO 51 11.485 -9.574 -28.662 350 H SER 52 H SER 52 9.303 -10.969 -24.040 351 HA SER 52 HA SER 52 9.421 -13.869 -23.793 352 HB2 SER 52 HB2 SER 52 9.914 -11.549 -22.034 353 HB3 SER 52 HB3 SER 52 9.203 -12.950 -21.238 354 HG SER 52 HG SER 52 11.022 -14.003 -21.481 355 HA PRO 53 HA PRO 53 5.132 -14.266 -22.769 356 HB2 PRO 53 HB2 PRO 53 5.368 -15.946 -20.509 357 HB3 PRO 53 HB3 PRO 53 5.269 -16.451 -22.191 358 HG2 PRO 53 HG2 PRO 53 7.479 -16.749 -20.507 359 HG3 PRO 53 HG3 PRO 53 7.487 -16.910 -22.267 360 HD2 PRO 53 HD2 PRO 53 8.314 -14.614 -20.561 361 HD3 PRO 53 HD3 PRO 53 8.975 -15.169 -22.116 362 H CYS 54 H CYS 54 3.495 -13.282 -21.631 363 HA CYS 54 HA CYS 54 4.228 -11.765 -19.277 364 HB2 CYS 54 HB2 CYS 54 3.396 -10.376 -21.006 365 HB3 CYS 54 HB3 CYS 54 2.056 -11.465 -21.331 366 H GLN 55 H GLN 55 3.806 -12.864 -17.434 367 HA GLN 55 HA GLN 55 2.083 -14.942 -17.000 368 HB2 GLN 55 HB2 GLN 55 3.716 -14.231 -15.346 369 HB3 GLN 55 HB3 GLN 55 2.833 -12.738 -15.085 370 HG2 GLN 55 HG2 GLN 55 0.915 -14.103 -14.264 371 HG3 GLN 55 HG3 GLN 55 1.951 -15.519 -14.350 372 HE21 GLN 55 HE21 GLN 55 4.222 -14.991 -13.172 373 HE22 GLN 55 HE22 GLN 55 4.030 -14.338 -11.589 374 H SER 56 H SER 56 1.121 -11.952 -15.368 375 HA SER 56 HA SER 56 -1.214 -11.373 -16.733 376 HB2 SER 56 HB2 SER 56 -1.857 -13.694 -16.081 377 HB3 SER 56 HB3 SER 56 -1.710 -13.230 -14.391 378 HG SER 56 HG SER 56 -3.327 -11.476 -15.355 379 H GLY 57 H GLY 57 -2.954 -10.456 -14.914 380 HA2 GLY 57 HA2 GLY 57 -1.765 -9.299 -12.591 381 HA3 GLY 57 HA3 GLY 57 -1.868 -8.149 -13.903 382 H GLN 58 H GLN 58 -3.387 -6.802 -13.388 383 HA GLN 58 HA GLN 58 -5.656 -7.397 -11.846 384 HB2 GLN 58 HB2 GLN 58 -4.543 -5.132 -13.281 385 HB3 GLN 58 HB3 GLN 58 -6.299 -5.155 -13.186 386 HG2 GLN 58 HG2 GLN 58 -4.347 -5.295 -10.899 387 HG3 GLN 58 HG3 GLN 58 -5.399 -3.958 -11.309 388 HE21 GLN 58 HE21 GLN 58 -5.402 -4.997 -8.794 389 HE22 GLN 58 HE22 GLN 58 -6.889 -5.830 -8.501 390 H LYS 59 H LYS 59 -8.054 -6.869 -12.718 391 HA LYS 59 HA LYS 59 -8.418 -8.402 -15.082 392 HB2 LYS 59 HB2 LYS 59 -9.734 -8.795 -12.970 393 HB3 LYS 59 HB3 LYS 59 -10.469 -7.219 -13.228 394 HG2 LYS 59 HG2 LYS 59 -10.935 -8.310 -15.623 395 HG3 LYS 59 HG3 LYS 59 -10.912 -9.771 -14.636 396 HD2 LYS 59 HD2 LYS 59 -12.598 -8.800 -13.157 397 HD3 LYS 59 HD3 LYS 59 -12.617 -7.330 -14.134 398 HE2 LYS 59 HE2 LYS 59 -14.431 -8.481 -14.979 399 HE3 LYS 59 HE3 LYS 59 -13.149 -8.968 -16.089 400 HZ1 LYS 59 HZ1 LYS 59 -14.134 -10.961 -15.555 401 HZ2 LYS 59 HZ2 LYS 59 -14.433 -10.525 -13.948 402 HZ3 LYS 59 HZ3 LYS 59 -12.862 -10.913 -14.441 403 HA PRO 60 HA PRO 60 -8.731 -4.867 -17.773 404 HB2 PRO 60 HB2 PRO 60 -11.009 -6.490 -18.813 405 HB3 PRO 60 HB3 PRO 60 -9.733 -5.660 -19.708 406 HG2 PRO 60 HG2 PRO 60 -9.644 -8.300 -19.296 407 HG3 PRO 60 HG3 PRO 60 -8.172 -7.312 -19.279 408 HD2 PRO 60 HD2 PRO 60 -9.596 -8.600 -17.028 409 HD3 PRO 60 HD3 PRO 60 -7.894 -8.108 -17.159 410 H CYS 61 H CYS 61 -10.359 -3.270 -18.429 411 HA CYS 61 HA CYS 61 -12.946 -3.304 -17.254 412 HB2 CYS 61 HB2 CYS 61 -12.667 -1.218 -15.858 413 HB3 CYS 61 HB3 CYS 61 -12.013 -2.710 -15.222 414 H GLY 62 H GLY 62 -14.230 -1.311 -17.426 415 HA2 GLY 62 HA2 GLY 62 -13.883 -0.204 -20.051 416 HA3 GLY 62 HA3 GLY 62 -15.347 -0.262 -19.112 417 H SER 63 H SER 63 -12.277 1.027 -17.970 418 HA SER 63 HA SER 63 -13.388 3.673 -18.111 419 HB2 SER 63 HB2 SER 63 -13.033 2.617 -15.776 420 HB3 SER 63 HB3 SER 63 -11.334 2.854 -16.100 421 HG SER 63 HG SER 63 -11.704 4.762 -15.292 422 H GLY 64 H GLY 64 -12.004 2.250 -20.111 423 HA2 GLY 64 HA2 GLY 64 -10.612 3.257 -21.757 424 HA3 GLY 64 HA3 GLY 64 -9.663 3.934 -20.461 425 H GLY 65 H GLY 65 -10.243 0.823 -19.602 426 HA2 GLY 65 HA2 GLY 65 -8.785 -0.909 -21.078 427 HA3 GLY 65 HA3 GLY 65 -7.581 0.030 -20.277 428 H ARG 66 H ARG 66 -6.760 -1.626 -19.109 429 HA ARG 66 HA ARG 66 -8.526 -3.174 -17.490 430 HB2 ARG 66 HB2 ARG 66 -5.566 -3.464 -17.269 431 HB3 ARG 66 HB3 ARG 66 -6.806 -4.702 -17.195 432 HG2 ARG 66 HG2 ARG 66 -5.821 -3.304 -19.679 433 HG3 ARG 66 HG3 ARG 66 -5.492 -4.970 -19.193 434 HD2 ARG 66 HD2 ARG 66 -8.018 -5.252 -19.180 435 HD3 ARG 66 HD3 ARG 66 -8.081 -3.758 -20.098 436 HE ARG 66 HE ARG 66 -7.394 -6.346 -21.055 437 HH11 ARG 66 HH11 ARG 66 -6.731 -2.955 -21.476 438 HH12 ARG 66 HH12 ARG 66 -6.243 -3.126 -23.126 439 HH21 ARG 66 HH21 ARG 66 -6.786 -6.580 -23.222 440 HH22 ARG 66 HH22 ARG 66 -6.273 -5.194 -24.123 441 H CYS 67 H CYS 67 -7.231 -3.770 -15.200 442 HA CYS 67 HA CYS 67 -7.481 -1.304 -13.753 443 HB2 CYS 67 HB2 CYS 67 -8.627 -3.296 -12.931 444 HB3 CYS 67 HB3 CYS 67 -7.115 -4.152 -12.818 445 H ALA 68 H ALA 68 -5.571 -0.844 -15.251 446 HA ALA 68 HA ALA 68 -3.096 -1.659 -15.244 447 HB1 ALA 68 HB1 ALA 68 -4.139 1.106 -15.322 448 HB2 ALA 68 HB2 ALA 68 -3.453 0.107 -16.601 449 HB3 ALA 68 HB3 ALA 68 -2.419 0.810 -15.378 450 H ALA 69 H ALA 69 -3.761 0.895 -12.533 451 HA ALA 69 HA ALA 69 -1.997 -0.553 -10.852 452 HB1 ALA 69 HB1 ALA 69 -0.325 0.447 -12.287 453 HB2 ALA 69 HB2 ALA 69 -0.329 1.241 -10.712 454 HB3 ALA 69 HB3 ALA 69 -1.083 2.040 -12.105 455 H ALA 70 H ALA 70 -2.197 0.121 -8.834 456 HA ALA 70 HA ALA 70 -3.607 0.949 -7.066 457 HB1 ALA 70 HB1 ALA 70 -2.237 2.529 -6.299 458 HB2 ALA 70 HB2 ALA 70 -3.107 3.688 -7.324 459 HB3 ALA 70 HB3 ALA 70 -1.646 2.869 -7.928 460 H GLY 71 H GLY 71 -4.987 0.629 -9.435 461 HA2 GLY 71 HA2 GLY 71 -7.071 1.216 -10.120 462 HA3 GLY 71 HA3 GLY 71 -7.004 2.571 -9.071 463 H ILE 72 H ILE 72 -6.069 1.293 -12.076 464 HA ILE 72 HA ILE 72 -6.226 3.837 -13.296 465 HB ILE 72 HB ILE 72 -3.670 2.246 -13.446 466 HG12 ILE 72 HG12 ILE 72 -4.142 4.266 -11.810 467 HG13 ILE 72 HG13 ILE 72 -2.591 4.079 -12.624 468 HG21 ILE 72 HG21 ILE 72 -4.938 3.969 -15.452 469 HG22 ILE 72 HG22 ILE 72 -3.839 2.613 -15.654 470 HG23 ILE 72 HG23 ILE 72 -3.212 4.183 -15.185 471 HD11 ILE 72 HD11 ILE 72 -4.271 6.297 -12.693 472 HD12 ILE 72 HD12 ILE 72 -4.403 5.555 -14.301 473 HD13 ILE 72 HD13 ILE 72 -2.815 6.004 -13.647 474 H CYS 73 H CYS 73 -7.887 3.214 -14.510 475 HA CYS 73 HA CYS 73 -7.764 0.652 -15.767 476 HB2 CYS 73 HB2 CYS 73 -9.899 1.629 -14.833 477 HB3 CYS 73 HB3 CYS 73 -9.885 2.764 -16.147 478 H CYS 74 H CYS 74 -6.058 0.827 -17.102 479 HA CYS 74 HA CYS 74 -6.109 3.006 -19.074 480 HB2 CYS 74 HB2 CYS 74 -4.454 3.568 -17.551 481 HB3 CYS 74 HB3 CYS 74 -3.939 1.906 -17.359 482 H SER 75 H SER 75 -5.494 2.671 -21.012 483 HA SER 75 HA SER 75 -4.420 0.074 -21.853 484 HB2 SER 75 HB2 SER 75 -6.394 1.814 -23.346 485 HB3 SER 75 HB3 SER 75 -5.730 0.304 -23.949 486 HG SER 75 HG SER 75 -6.945 -0.822 -22.606 487 HA PRO 76 HA PRO 76 -1.747 2.841 -24.300 488 HB2 PRO 76 HB2 PRO 76 -2.428 2.907 -26.974 489 HB3 PRO 76 HB3 PRO 76 -1.580 1.581 -26.197 490 HG2 PRO 76 HG2 PRO 76 -4.199 1.548 -27.308 491 HG3 PRO 76 HG3 PRO 76 -3.330 0.232 -26.509 492 HD2 PRO 76 HD2 PRO 76 -5.409 2.026 -25.424 493 HD3 PRO 76 HD3 PRO 76 -4.899 0.408 -24.904 494 H ASP 77 H ASP 77 -5.058 3.401 -25.256 495 HA ASP 77 HA ASP 77 -5.057 5.926 -26.334 496 HB2 ASP 77 HB2 ASP 77 -6.968 4.064 -25.256 497 HB3 ASP 77 HB3 ASP 77 -7.380 5.691 -24.732 498 H GLY 78 H GLY 78 -5.504 4.983 -22.949 499 HA2 GLY 78 HA2 GLY 78 -3.863 6.992 -22.000 500 HA3 GLY 78 HA3 GLY 78 -5.494 7.589 -21.898 501 H CYS 79 H CYS 79 -3.754 7.146 -19.676 502 HA CYS 79 HA CYS 79 -5.153 4.906 -18.423 503 HB2 CYS 79 HB2 CYS 79 -2.794 6.251 -17.210 504 HB3 CYS 79 HB3 CYS 79 -3.430 4.680 -16.848 505 H GLU 80 H GLU 80 -6.220 5.206 -16.532 506 HA GLU 80 HA GLU 80 -6.180 7.800 -15.315 507 HB2 GLU 80 HB2 GLU 80 -8.472 8.355 -15.659 508 HB3 GLU 80 HB3 GLU 80 -7.749 8.025 -17.227 509 HG2 GLU 80 HG2 GLU 80 -9.441 6.651 -17.609 510 HG3 GLU 80 HG3 GLU 80 -8.752 5.574 -16.392 511 H GLU 81 H GLU 81 -6.791 7.869 -13.241 512 HA GLU 81 HA GLU 81 -6.844 5.577 -11.744 513 HB2 GLU 81 HB2 GLU 81 -7.850 7.179 -9.956 514 HB3 GLU 81 HB3 GLU 81 -6.233 7.465 -10.572 515 HG2 GLU 81 HG2 GLU 81 -6.795 9.501 -11.140 516 HG3 GLU 81 HG3 GLU 81 -7.997 8.854 -12.244 517 H ASP 82 H ASP 82 -8.292 4.059 -11.738 518 HA ASP 82 HA ASP 82 -11.095 4.757 -12.043 519 HB2 ASP 82 HB2 ASP 82 -11.390 2.423 -12.917 520 HB3 ASP 82 HB3 ASP 82 -10.362 3.445 -13.904 521 HA PRO 83 HA PRO 83 -11.589 3.508 -7.792 522 HB2 PRO 83 HB2 PRO 83 -14.433 3.566 -8.628 523 HB3 PRO 83 HB3 PRO 83 -13.665 4.403 -7.270 524 HG2 PRO 83 HG2 PRO 83 -14.407 5.736 -9.423 525 HG3 PRO 83 HG3 PRO 83 -12.871 6.085 -8.629 526 HD2 PRO 83 HD2 PRO 83 -13.383 4.481 -11.094 527 HD3 PRO 83 HD3 PRO 83 -12.101 5.668 -10.796 528 H ALA 84 H ALA 84 -12.754 2.171 -10.596 529 HA ALA 84 HA ALA 84 -13.879 -0.203 -9.615 530 HB1 ALA 84 HB1 ALA 84 -14.501 0.313 -11.806 531 HB2 ALA 84 HB2 ALA 84 -13.204 -0.850 -12.105 532 HB3 ALA 84 HB3 ALA 84 -12.877 0.887 -12.189 533 H CYS 85 H CYS 85 -10.840 1.069 -9.989 534 HA CYS 85 HA CYS 85 -9.498 -1.458 -9.835 535 HB2 CYS 85 HB2 CYS 85 -9.127 0.018 -11.762 536 HB3 CYS 85 HB3 CYS 85 -8.384 1.133 -10.656 537 H ASP 86 H ASP 86 -9.364 1.813 -8.239 538 HA ASP 86 HA ASP 86 -8.661 0.803 -5.720 539 HB2 ASP 86 HB2 ASP 86 -6.742 -0.077 -7.168 540 HB3 ASP 86 HB3 ASP 86 -6.196 1.591 -7.156 541 HA PRO 87 HA PRO 87 -7.050 5.256 -5.595 542 HB2 PRO 87 HB2 PRO 87 -7.064 6.747 -7.865 543 HB3 PRO 87 HB3 PRO 87 -5.773 5.707 -7.363 544 HG2 PRO 87 HG2 PRO 87 -7.413 5.363 -9.613 545 HG3 PRO 87 HG3 PRO 87 -6.214 4.265 -8.938 546 HD2 PRO 87 HD2 PRO 87 -9.164 4.274 -8.510 547 HD3 PRO 87 HD3 PRO 87 -8.075 2.926 -8.660 548 H GLU 88 H GLU 88 -9.154 5.902 -8.268 549 HA GLU 88 HA GLU 88 -10.557 7.916 -6.882 550 HB2 GLU 88 HB2 GLU 88 -10.204 7.694 -9.393 551 HB3 GLU 88 HB3 GLU 88 -11.312 6.342 -9.337 552 HG2 GLU 88 HG2 GLU 88 -13.118 7.663 -9.346 553 HG3 GLU 88 HG3 GLU 88 -12.421 8.778 -8.172 554 H ALA 89 H ALA 89 -10.228 4.790 -6.522 555 HA ALA 89 HA ALA 89 -12.579 3.438 -6.239 556 HB1 ALA 89 HB1 ALA 89 -10.022 3.241 -4.712 557 HB2 ALA 89 HB2 ALA 89 -10.415 2.391 -6.217 558 HB3 ALA 89 HB3 ALA 89 -11.292 2.004 -4.727 559 H ALA 90 H ALA 90 -10.769 4.186 -3.485 560 HA ALA 90 HA ALA 90 -13.072 4.773 -1.917 561 HB1 ALA 90 HB1 ALA 90 -11.398 3.469 -0.836 562 HB2 ALA 90 HB2 ALA 90 -11.248 5.080 -0.136 563 HB3 ALA 90 HB3 ALA 90 -10.111 4.550 -1.385 564 H PHE 91 H PHE 91 -10.850 6.598 -0.681 565 HA PHE 91 HA PHE 91 -11.571 9.075 -2.121 566 HB2 PHE 91 HB2 PHE 91 -10.249 10.157 -0.200 567 HB3 PHE 91 HB3 PHE 91 -11.784 9.408 0.228 568 HD1 PHE 91 HD1 PHE 91 -11.851 7.346 1.526 569 HD2 PHE 91 HD2 PHE 91 -8.150 9.202 0.531 570 HE1 PHE 91 HE1 PHE 91 -10.706 5.963 3.209 571 HE2 PHE 91 HE2 PHE 91 -7.002 7.818 2.212 572 HZ PHE 91 HZ PHE 91 -8.280 6.199 3.553 573 H SER 92 H SER 92 -9.571 6.634 -2.586 574 HA SER 92 HA SER 92 -6.971 7.691 -2.541 575 HB2 SER 92 HB2 SER 92 -7.306 5.311 -2.444 576 HB3 SER 92 HB3 SER 92 -8.148 5.274 -4.007 577 HG SER 92 HG SER 92 -5.702 6.399 -4.292 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 -4.070 -17.443 -17.715 2 H2 ALA 1 H2 ALA 1 -4.603 -16.060 -16.849 3 H3 ALA 1 H3 ALA 1 -3.739 -17.302 -16.039 4 HA ALA 1 HA ALA 1 -2.448 -16.106 -18.316 5 HB1 ALA 1 HB1 ALA 1 -2.087 -14.546 -15.862 6 HB2 ALA 1 HB2 ALA 1 -3.668 -14.365 -16.620 7 HB3 ALA 1 HB3 ALA 1 -2.204 -14.016 -17.540 8 H VAL 2 H VAL 2 -0.967 -17.722 -18.322 9 HA VAL 2 HA VAL 2 0.200 -18.743 -15.901 10 HB VAL 2 HB VAL 2 1.721 -19.986 -17.469 11 HG11 VAL 2 HG11 VAL 2 -0.081 -21.441 -18.361 12 HG12 VAL 2 HG12 VAL 2 -1.257 -20.217 -17.884 13 HG13 VAL 2 HG13 VAL 2 -0.288 -21.033 -16.658 14 HG21 VAL 2 HG21 VAL 2 0.360 -18.212 -19.393 15 HG22 VAL 2 HG22 VAL 2 0.551 -19.892 -19.893 16 HG23 VAL 2 HG23 VAL 2 1.967 -18.935 -19.454 17 H LEU 3 H LEU 3 2.117 -18.220 -14.986 18 HA LEU 3 HA LEU 3 3.303 -15.783 -15.578 19 HB2 LEU 3 HB2 LEU 3 3.564 -17.878 -13.563 20 HB3 LEU 3 HB3 LEU 3 5.040 -17.010 -13.909 21 HG LEU 3 HG LEU 3 4.347 -15.573 -12.339 22 HD11 LEU 3 HD11 LEU 3 4.077 -14.355 -14.446 23 HD12 LEU 3 HD12 LEU 3 2.973 -13.764 -13.190 24 HD13 LEU 3 HD13 LEU 3 2.379 -14.826 -14.477 25 HD21 LEU 3 HD21 LEU 3 2.067 -17.260 -12.420 26 HD22 LEU 3 HD22 LEU 3 1.500 -15.587 -12.393 27 HD23 LEU 3 HD23 LEU 3 2.580 -16.170 -11.130 28 H ASP 4 H ASP 4 5.675 -15.513 -15.651 29 HA ASP 4 HA ASP 4 6.686 -16.931 -17.865 30 HB2 ASP 4 HB2 ASP 4 6.943 -14.409 -17.433 31 HB3 ASP 4 HB3 ASP 4 8.213 -14.883 -16.318 32 H LEU 5 H LEU 5 8.145 -16.017 -14.891 33 HA LEU 5 HA LEU 5 9.863 -18.215 -14.753 34 HB2 LEU 5 HB2 LEU 5 10.672 -17.308 -12.648 35 HB3 LEU 5 HB3 LEU 5 10.572 -16.049 -13.862 36 HG LEU 5 HG LEU 5 9.725 -14.878 -12.104 37 HD11 LEU 5 HD11 LEU 5 7.930 -14.450 -13.351 38 HD12 LEU 5 HD12 LEU 5 7.120 -15.278 -12.026 39 HD13 LEU 5 HD13 LEU 5 7.494 -16.152 -13.514 40 HD21 LEU 5 HD21 LEU 5 10.039 -16.796 -10.563 41 HD22 LEU 5 HD22 LEU 5 8.384 -17.276 -10.928 42 HD23 LEU 5 HD23 LEU 5 8.707 -15.717 -10.167 43 H ASP 6 H ASP 6 7.838 -17.092 -12.314 44 HA ASP 6 HA ASP 6 6.293 -19.425 -11.974 45 HB2 ASP 6 HB2 ASP 6 8.685 -19.047 -10.564 46 HB3 ASP 6 HB3 ASP 6 7.385 -18.727 -9.432 47 H VAL 7 H VAL 7 7.316 -16.621 -10.100 48 HA VAL 7 HA VAL 7 4.568 -15.749 -10.087 49 HB VAL 7 HB VAL 7 4.629 -15.144 -7.763 50 HG11 VAL 7 HG11 VAL 7 5.137 -17.457 -6.780 51 HG12 VAL 7 HG12 VAL 7 5.520 -17.921 -8.437 52 HG13 VAL 7 HG13 VAL 7 3.905 -17.348 -8.032 53 HG21 VAL 7 HG21 VAL 7 6.487 -14.886 -6.534 54 HG22 VAL 7 HG22 VAL 7 7.353 -14.958 -8.069 55 HG23 VAL 7 HG23 VAL 7 7.168 -16.415 -7.091 56 H ARG 8 H ARG 8 7.670 -14.876 -10.788 57 HA ARG 8 HA ARG 8 7.589 -12.169 -10.067 58 HB2 ARG 8 HB2 ARG 8 9.432 -13.959 -11.576 59 HB3 ARG 8 HB3 ARG 8 9.665 -12.233 -11.607 60 HG2 ARG 8 HG2 ARG 8 10.079 -12.127 -9.300 61 HG3 ARG 8 HG3 ARG 8 9.438 -13.751 -9.049 62 HD2 ARG 8 HD2 ARG 8 11.296 -14.736 -10.173 63 HD3 ARG 8 HD3 ARG 8 11.879 -13.164 -10.703 64 HE ARG 8 HE ARG 8 11.997 -12.844 -8.081 65 HH11 ARG 8 HH11 ARG 8 12.966 -15.584 -10.017 66 HH12 ARG 8 HH12 ARG 8 14.210 -16.078 -8.919 67 HH21 ARG 8 HH21 ARG 8 13.632 -13.495 -6.636 68 HH22 ARG 8 HH22 ARG 8 14.588 -14.893 -7.000 69 H THR 9 H THR 9 8.012 -10.474 -11.673 70 HA THR 9 HA THR 9 5.933 -10.460 -13.641 71 HB THR 9 HB THR 9 6.739 -8.194 -14.214 72 HG1 THR 9 HG1 THR 9 8.597 -7.368 -13.000 73 HG21 THR 9 HG21 THR 9 6.457 -7.155 -11.973 74 HG22 THR 9 HG22 THR 9 5.285 -8.492 -12.232 75 HG23 THR 9 HG23 THR 9 6.733 -8.754 -11.202 76 H CYS 10 H CYS 10 6.293 -9.972 -15.957 77 HA CYS 10 HA CYS 10 8.288 -11.728 -17.058 78 HB2 CYS 10 HB2 CYS 10 6.198 -9.963 -18.339 79 HB3 CYS 10 HB3 CYS 10 7.298 -10.978 -19.261 80 H LEU 11 H LEU 11 7.576 -8.542 -18.431 81 HA LEU 11 HA LEU 11 10.471 -8.004 -18.466 82 HB2 LEU 11 HB2 LEU 11 8.266 -7.492 -20.357 83 HB3 LEU 11 HB3 LEU 11 9.410 -6.176 -20.175 84 HG LEU 11 HG LEU 11 11.238 -7.887 -20.653 85 HD11 LEU 11 HD11 LEU 11 8.959 -9.477 -21.802 86 HD12 LEU 11 HD12 LEU 11 9.696 -9.840 -20.242 87 HD13 LEU 11 HD13 LEU 11 10.663 -9.921 -21.715 88 HD21 LEU 11 HD21 LEU 11 10.912 -7.719 -23.067 89 HD22 LEU 11 HD22 LEU 11 10.528 -6.197 -22.264 90 HD23 LEU 11 HD23 LEU 11 9.229 -7.256 -22.813 91 HA PRO 12 HA PRO 12 8.981 -5.182 -15.176 92 HB2 PRO 12 HB2 PRO 12 11.861 -4.696 -14.880 93 HB3 PRO 12 HB3 PRO 12 10.664 -5.164 -13.668 94 HG2 PRO 12 HG2 PRO 12 12.555 -6.841 -14.697 95 HG3 PRO 12 HG3 PRO 12 11.012 -7.363 -13.992 96 HD2 PRO 12 HD2 PRO 12 11.884 -7.325 -16.810 97 HD3 PRO 12 HD3 PRO 12 10.585 -8.260 -16.048 98 H CYS 13 H CYS 13 9.582 -2.967 -14.617 99 HA CYS 13 HA CYS 13 10.746 -1.314 -16.611 100 HB2 CYS 13 HB2 CYS 13 8.332 -1.666 -17.274 101 HB3 CYS 13 HB3 CYS 13 7.892 -0.841 -15.776 102 H GLY 14 H GLY 14 9.501 0.989 -15.538 103 HA2 GLY 14 HA2 GLY 14 9.962 2.607 -13.894 104 HA3 GLY 14 HA3 GLY 14 9.675 1.272 -12.803 105 HA PRO 15 HA PRO 15 14.016 2.395 -12.069 106 HB2 PRO 15 HB2 PRO 15 13.898 2.474 -9.425 107 HB3 PRO 15 HB3 PRO 15 13.048 3.705 -10.383 108 HG2 PRO 15 HG2 PRO 15 11.911 1.200 -9.182 109 HG3 PRO 15 HG3 PRO 15 11.351 2.877 -8.990 110 HD2 PRO 15 HD2 PRO 15 10.294 1.209 -10.839 111 HD3 PRO 15 HD3 PRO 15 10.443 2.952 -11.124 112 H GLY 16 H GLY 16 14.043 0.080 -13.090 113 HA2 GLY 16 HA2 GLY 16 15.650 -1.713 -12.610 114 HA3 GLY 16 HA3 GLY 16 14.958 -1.817 -11.016 115 H GLY 17 H GLY 17 12.490 -2.211 -11.105 116 HA2 GLY 17 HA2 GLY 17 11.356 -3.568 -13.227 117 HA3 GLY 17 HA3 GLY 17 11.961 -4.738 -12.099 118 H LYS 18 H LYS 18 10.799 -1.637 -11.344 119 HA LYS 18 HA LYS 18 9.016 -2.377 -9.340 120 HB2 LYS 18 HB2 LYS 18 10.017 0.000 -10.642 121 HB3 LYS 18 HB3 LYS 18 8.352 0.137 -10.171 122 HG2 LYS 18 HG2 LYS 18 10.175 0.907 -8.610 123 HG3 LYS 18 HG3 LYS 18 8.782 0.039 -7.972 124 HD2 LYS 18 HD2 LYS 18 10.074 -1.992 -8.052 125 HD3 LYS 18 HD3 LYS 18 11.439 -1.145 -8.613 126 HE2 LYS 18 HE2 LYS 18 11.007 0.311 -6.478 127 HE3 LYS 18 HE3 LYS 18 10.246 -1.185 -5.987 128 HZ1 LYS 18 HZ1 LYS 18 13.022 -1.046 -6.962 129 HZ2 LYS 18 HZ2 LYS 18 12.261 -2.373 -6.244 130 HZ3 LYS 18 HZ3 LYS 18 12.609 -0.995 -5.322 131 H GLY 19 H GLY 19 8.782 -1.939 -12.655 132 HA2 GLY 19 HA2 GLY 19 6.005 -2.580 -12.691 133 HA3 GLY 19 HA3 GLY 19 6.525 -1.170 -13.568 134 H ARG 20 H ARG 20 5.911 -2.002 -15.439 135 HA ARG 20 HA ARG 20 7.816 -3.571 -16.859 136 HB2 ARG 20 HB2 ARG 20 6.326 -5.404 -17.455 137 HB3 ARG 20 HB3 ARG 20 6.531 -5.295 -15.704 138 HG2 ARG 20 HG2 ARG 20 4.391 -4.745 -15.333 139 HG3 ARG 20 HG3 ARG 20 4.300 -3.799 -16.824 140 HD2 ARG 20 HD2 ARG 20 3.329 -5.466 -17.888 141 HD3 ARG 20 HD3 ARG 20 4.673 -6.516 -17.462 142 HE ARG 20 HE ARG 20 2.124 -6.741 -16.436 143 HH11 ARG 20 HH11 ARG 20 5.363 -6.471 -15.179 144 HH12 ARG 20 HH12 ARG 20 5.002 -7.318 -13.715 145 HH21 ARG 20 HH21 ARG 20 1.638 -7.845 -14.502 146 HH22 ARG 20 HH22 ARG 20 2.887 -8.098 -13.328 147 H CYS 21 H CYS 21 6.673 -4.148 -19.142 148 HA CYS 21 HA CYS 21 5.484 -1.635 -20.117 149 HB2 CYS 21 HB2 CYS 21 7.471 -3.518 -21.114 150 HB3 CYS 21 HB3 CYS 21 6.267 -3.067 -22.300 151 H PHE 22 H PHE 22 3.304 -1.741 -20.859 152 HA PHE 22 HA PHE 22 2.204 -4.417 -20.986 153 HB2 PHE 22 HB2 PHE 22 1.054 -1.651 -20.731 154 HB3 PHE 22 HB3 PHE 22 0.031 -3.046 -21.076 155 HD1 PHE 22 HD1 PHE 22 3.045 -2.969 -18.909 156 HD2 PHE 22 HD2 PHE 22 -1.214 -3.195 -19.096 157 HE1 PHE 22 HE1 PHE 22 2.957 -3.485 -16.504 158 HE2 PHE 22 HE2 PHE 22 -1.295 -3.720 -16.693 159 HZ PHE 22 HZ PHE 22 0.792 -3.867 -15.393 160 H GLY 23 H GLY 23 3.560 -2.457 -23.263 161 HA2 GLY 23 HA2 GLY 23 3.102 -3.799 -25.475 162 HA3 GLY 23 HA3 GLY 23 1.516 -3.117 -25.275 163 HA PRO 24 HA PRO 24 3.067 0.248 -27.627 164 HB2 PRO 24 HB2 PRO 24 1.187 2.097 -27.287 165 HB3 PRO 24 HB3 PRO 24 0.788 0.513 -27.954 166 HG2 PRO 24 HG2 PRO 24 0.269 1.609 -25.246 167 HG3 PRO 24 HG3 PRO 24 -0.681 0.462 -26.202 168 HD2 PRO 24 HD2 PRO 24 1.157 -0.119 -24.120 169 HD3 PRO 24 HD3 PRO 24 0.340 -1.284 -25.187 170 H SER 25 H SER 25 5.056 0.614 -26.355 171 HA SER 25 HA SER 25 6.524 1.959 -25.205 172 HB2 SER 25 HB2 SER 25 5.288 3.542 -27.007 173 HB3 SER 25 HB3 SER 25 4.768 4.345 -25.516 174 HG SER 25 HG SER 25 6.938 4.861 -26.655 175 H ILE 26 H ILE 26 4.039 0.830 -23.869 176 HA ILE 26 HA ILE 26 3.673 2.795 -21.756 177 HB ILE 26 HB ILE 26 1.801 1.467 -23.067 178 HG12 ILE 26 HG12 ILE 26 1.384 1.757 -20.130 179 HG13 ILE 26 HG13 ILE 26 1.816 3.186 -21.093 180 HG21 ILE 26 HG21 ILE 26 2.396 -0.287 -20.695 181 HG22 ILE 26 HG22 ILE 26 2.461 -0.768 -22.401 182 HG23 ILE 26 HG23 ILE 26 0.910 -0.368 -21.656 183 HD11 ILE 26 HD11 ILE 26 -0.734 2.012 -20.794 184 HD12 ILE 26 HD12 ILE 26 -0.210 1.671 -22.457 185 HD13 ILE 26 HD13 ILE 26 -0.274 3.347 -21.863 186 H CYS 27 H CYS 27 3.482 2.106 -19.585 187 HA CYS 27 HA CYS 27 4.842 -0.255 -18.764 188 HB2 CYS 27 HB2 CYS 27 5.980 2.425 -18.844 189 HB3 CYS 27 HB3 CYS 27 6.076 1.666 -17.279 190 H CYS 28 H CYS 28 4.275 -0.850 -16.712 191 HA CYS 28 HA CYS 28 2.679 0.905 -15.055 192 HB2 CYS 28 HB2 CYS 28 1.405 -0.850 -16.678 193 HB3 CYS 28 HB3 CYS 28 1.702 -1.888 -15.278 194 H GLY 29 H GLY 29 3.499 0.779 -13.025 195 HA2 GLY 29 HA2 GLY 29 5.029 -1.548 -12.360 196 HA3 GLY 29 HA3 GLY 29 5.290 0.036 -11.707 197 H ASP 30 H ASP 30 4.908 -2.187 -9.974 198 HA ASP 30 HA ASP 30 2.215 -2.383 -9.188 199 HB2 ASP 30 HB2 ASP 30 4.727 -3.550 -8.393 200 HB3 ASP 30 HB3 ASP 30 3.830 -3.040 -6.970 201 H GLU 31 H GLU 31 4.804 -1.289 -7.064 202 HA GLU 31 HA GLU 31 3.190 0.614 -5.743 203 HB2 GLU 31 HB2 GLU 31 5.292 1.203 -4.599 204 HB3 GLU 31 HB3 GLU 31 5.071 -0.532 -4.641 205 HG2 GLU 31 HG2 GLU 31 6.959 -0.842 -5.766 206 HG3 GLU 31 HG3 GLU 31 6.534 0.385 -6.970 207 H LEU 32 H LEU 32 4.450 0.514 -8.699 208 HA LEU 32 HA LEU 32 5.523 3.138 -8.992 209 HB2 LEU 32 HB2 LEU 32 5.915 0.604 -9.887 210 HB3 LEU 32 HB3 LEU 32 5.213 1.397 -11.238 211 HG LEU 32 HG LEU 32 7.817 1.710 -10.041 212 HD11 LEU 32 HD11 LEU 32 7.213 2.141 -12.867 213 HD12 LEU 32 HD12 LEU 32 6.866 0.543 -12.194 214 HD13 LEU 32 HD13 LEU 32 8.506 1.211 -12.106 215 HD21 LEU 32 HD21 LEU 32 6.855 3.933 -11.772 216 HD22 LEU 32 HD22 LEU 32 8.230 3.898 -10.668 217 HD23 LEU 32 HD23 LEU 32 6.589 4.013 -10.031 218 H GLY 33 H GLY 33 2.576 1.581 -9.617 219 HA2 GLY 33 HA2 GLY 33 0.567 2.468 -10.409 220 HA3 GLY 33 HA3 GLY 33 1.420 3.964 -10.633 221 H CYS 34 H CYS 34 0.306 4.168 -12.667 222 HA CYS 34 HA CYS 34 1.525 2.438 -14.710 223 HB2 CYS 34 HB2 CYS 34 -1.134 2.500 -14.104 224 HB3 CYS 34 HB3 CYS 34 -1.030 3.558 -15.513 225 H PHE 35 H PHE 35 2.638 3.351 -16.215 226 HA PHE 35 HA PHE 35 2.180 6.193 -16.884 227 HB2 PHE 35 HB2 PHE 35 4.831 4.914 -17.383 228 HB3 PHE 35 HB3 PHE 35 4.457 6.599 -17.080 229 HD1 PHE 35 HD1 PHE 35 4.486 3.292 -15.384 230 HD2 PHE 35 HD2 PHE 35 4.965 7.506 -15.040 231 HE1 PHE 35 HE1 PHE 35 5.252 3.007 -13.066 232 HE2 PHE 35 HE2 PHE 35 5.741 7.229 -12.716 233 HZ PHE 35 HZ PHE 35 5.888 4.972 -11.733 234 H VAL 36 H VAL 36 3.050 6.753 -19.081 235 HA VAL 36 HA VAL 36 3.050 4.532 -20.958 236 HB VAL 36 HB VAL 36 1.424 6.950 -21.688 237 HG11 VAL 36 HG11 VAL 36 2.386 5.232 -23.351 238 HG12 VAL 36 HG12 VAL 36 0.670 5.639 -23.480 239 HG13 VAL 36 HG13 VAL 36 1.162 4.132 -22.702 240 HG21 VAL 36 HG21 VAL 36 0.115 4.431 -20.751 241 HG22 VAL 36 HG22 VAL 36 -0.557 6.055 -20.895 242 HG23 VAL 36 HG23 VAL 36 0.571 5.678 -19.590 243 H GLY 37 H GLY 37 4.983 4.723 -21.647 244 HA2 GLY 37 HA2 GLY 37 6.795 5.558 -22.810 245 HA3 GLY 37 HA3 GLY 37 5.743 6.842 -23.380 246 H THR 38 H THR 38 5.576 6.951 -20.088 247 HA THR 38 HA THR 38 6.912 9.394 -19.830 248 HB THR 38 HB THR 38 6.684 9.106 -17.426 249 HG1 THR 38 HG1 THR 38 6.734 7.215 -16.552 250 HG21 THR 38 HG21 THR 38 4.303 8.348 -17.223 251 HG22 THR 38 HG22 THR 38 4.347 8.008 -18.957 252 HG23 THR 38 HG23 THR 38 4.597 9.654 -18.374 253 H ALA 39 H ALA 39 8.625 9.474 -17.815 254 HA ALA 39 HA ALA 39 11.073 8.559 -18.893 255 HB1 ALA 39 HB1 ALA 39 10.223 10.176 -16.677 256 HB2 ALA 39 HB2 ALA 39 11.797 10.121 -17.474 257 HB3 ALA 39 HB3 ALA 39 11.449 9.028 -16.136 258 H GLU 40 H GLU 40 9.221 7.490 -16.055 259 HA GLU 40 HA GLU 40 10.857 5.192 -15.618 260 HB2 GLU 40 HB2 GLU 40 8.568 6.472 -14.366 261 HB3 GLU 40 HB3 GLU 40 8.459 4.724 -14.356 262 HG2 GLU 40 HG2 GLU 40 9.513 5.248 -12.352 263 HG3 GLU 40 HG3 GLU 40 10.819 4.733 -13.415 264 H ALA 41 H ALA 41 9.067 5.762 -18.190 265 HA ALA 41 HA ALA 41 7.989 3.012 -18.386 266 HB1 ALA 41 HB1 ALA 41 6.157 3.831 -19.607 267 HB2 ALA 41 HB2 ALA 41 6.938 5.396 -19.829 268 HB3 ALA 41 HB3 ALA 41 6.351 4.929 -18.235 269 H LEU 42 H LEU 42 10.324 5.031 -19.603 270 HA LEU 42 HA LEU 42 10.208 4.611 -22.348 271 HB2 LEU 42 HB2 LEU 42 12.696 5.104 -22.204 272 HB3 LEU 42 HB3 LEU 42 11.597 6.340 -21.621 273 HG LEU 42 HG LEU 42 12.460 6.301 -19.549 274 HD11 LEU 42 HD11 LEU 42 12.713 4.435 -18.160 275 HD12 LEU 42 HD12 LEU 42 12.965 3.338 -19.522 276 HD13 LEU 42 HD13 LEU 42 11.353 4.021 -19.218 277 HD21 LEU 42 HD21 LEU 42 14.615 4.521 -20.657 278 HD22 LEU 42 HD22 LEU 42 14.755 5.768 -19.419 279 HD23 LEU 42 HD23 LEU 42 14.449 6.222 -21.095 280 H ARG 43 H ARG 43 10.781 2.493 -19.823 281 HA ARG 43 HA ARG 43 12.766 0.779 -20.546 282 HB2 ARG 43 HB2 ARG 43 10.553 0.745 -18.815 283 HB3 ARG 43 HB3 ARG 43 10.566 -0.754 -19.716 284 HG2 ARG 43 HG2 ARG 43 11.791 -0.899 -17.580 285 HG3 ARG 43 HG3 ARG 43 12.797 -1.256 -18.982 286 HD2 ARG 43 HD2 ARG 43 14.010 0.679 -18.778 287 HD3 ARG 43 HD3 ARG 43 12.696 1.548 -17.985 288 HE ARG 43 HE ARG 43 13.464 0.798 -15.958 289 HH11 ARG 43 HH11 ARG 43 15.001 -1.037 -18.501 290 HH12 ARG 43 HH12 ARG 43 16.122 -1.815 -17.432 291 HH21 ARG 43 HH21 ARG 43 14.938 -0.225 -14.555 292 HH22 ARG 43 HH22 ARG 43 16.085 -1.354 -15.193 293 H CYS 44 H CYS 44 9.890 1.311 -22.300 294 HA CYS 44 HA CYS 44 9.691 -1.246 -23.462 295 HB2 CYS 44 HB2 CYS 44 8.395 1.292 -23.786 296 HB3 CYS 44 HB3 CYS 44 8.458 0.354 -25.269 297 H GLN 45 H GLN 45 11.967 1.130 -23.881 298 HA GLN 45 HA GLN 45 12.550 0.915 -26.587 299 HB2 GLN 45 HB2 GLN 45 13.791 1.967 -24.191 300 HB3 GLN 45 HB3 GLN 45 14.969 1.317 -25.310 301 HG2 GLN 45 HG2 GLN 45 14.327 2.813 -27.019 302 HG3 GLN 45 HG3 GLN 45 12.871 3.289 -26.148 303 HE21 GLN 45 HE21 GLN 45 13.558 3.995 -23.758 304 HE22 GLN 45 HE22 GLN 45 14.766 5.230 -23.739 305 H GLU 46 H GLU 46 12.806 -1.093 -23.966 306 HA GLU 46 HA GLU 46 14.886 -2.878 -24.817 307 HB2 GLU 46 HB2 GLU 46 12.862 -2.723 -22.621 308 HB3 GLU 46 HB3 GLU 46 13.721 -4.207 -22.904 309 HG2 GLU 46 HG2 GLU 46 15.853 -3.008 -22.618 310 HG3 GLU 46 HG3 GLU 46 14.924 -1.543 -22.277 311 H GLU 47 H GLU 47 11.501 -2.411 -25.253 312 HA GLU 47 HA GLU 47 10.888 -5.120 -26.030 313 HB2 GLU 47 HB2 GLU 47 9.433 -2.607 -25.679 314 HB3 GLU 47 HB3 GLU 47 8.870 -3.545 -27.057 315 HG2 GLU 47 HG2 GLU 47 9.215 -5.302 -24.849 316 HG3 GLU 47 HG3 GLU 47 8.280 -3.905 -24.320 317 H ASN 48 H ASN 48 12.647 -2.763 -27.522 318 HA ASN 48 HA ASN 48 11.673 -3.055 -30.155 319 HB2 ASN 48 HB2 ASN 48 13.516 -1.349 -28.809 320 HB3 ASN 48 HB3 ASN 48 14.317 -2.051 -30.211 321 HD21 ASN 48 HD21 ASN 48 12.797 0.587 -29.282 322 HD22 ASN 48 HD22 ASN 48 12.004 1.053 -30.745 323 H TYR 49 H TYR 49 13.332 -5.114 -28.199 324 HA TYR 49 HA TYR 49 15.013 -6.205 -30.336 325 HB2 TYR 49 HB2 TYR 49 14.991 -6.440 -27.363 326 HB3 TYR 49 HB3 TYR 49 15.647 -7.789 -28.301 327 HD1 TYR 49 HD1 TYR 49 17.566 -7.349 -29.871 328 HD2 TYR 49 HD2 TYR 49 16.240 -4.464 -27.039 329 HE1 TYR 49 HE1 TYR 49 19.705 -6.158 -30.091 330 HE2 TYR 49 HE2 TYR 49 18.376 -3.264 -27.252 331 HH TYR 49 HH TYR 49 20.199 -3.056 -29.048 332 H LEU 50 H LEU 50 13.141 -7.792 -27.745 333 HA LEU 50 HA LEU 50 11.769 -9.391 -29.782 334 HB2 LEU 50 HB2 LEU 50 13.510 -10.414 -27.570 335 HB3 LEU 50 HB3 LEU 50 12.164 -11.380 -28.147 336 HG LEU 50 HG LEU 50 13.229 -11.036 -30.492 337 HD11 LEU 50 HD11 LEU 50 15.249 -10.116 -30.664 338 HD12 LEU 50 HD12 LEU 50 15.863 -11.008 -29.273 339 HD13 LEU 50 HD13 LEU 50 14.987 -9.496 -29.034 340 HD21 LEU 50 HD21 LEU 50 13.497 -12.986 -28.469 341 HD22 LEU 50 HD22 LEU 50 15.076 -12.807 -29.235 342 HD23 LEU 50 HD23 LEU 50 13.659 -13.193 -30.212 343 HA PRO 51 HA PRO 51 8.451 -7.763 -27.085 344 HB2 PRO 51 HB2 PRO 51 7.103 -9.634 -29.005 345 HB3 PRO 51 HB3 PRO 51 6.548 -8.067 -28.390 346 HG2 PRO 51 HG2 PRO 51 7.609 -8.145 -30.780 347 HG3 PRO 51 HG3 PRO 51 8.134 -6.884 -29.642 348 HD2 PRO 51 HD2 PRO 51 9.542 -9.403 -30.447 349 HD3 PRO 51 HD3 PRO 51 10.208 -7.777 -30.176 350 H SER 52 H SER 52 6.917 -8.761 -25.622 351 HA SER 52 HA SER 52 6.610 -11.529 -25.286 352 HB2 SER 52 HB2 SER 52 7.973 -11.470 -22.993 353 HB3 SER 52 HB3 SER 52 8.734 -11.931 -24.513 354 HG SER 52 HG SER 52 10.049 -10.352 -24.088 355 HA PRO 53 HA PRO 53 3.652 -9.378 -22.671 356 HB2 PRO 53 HB2 PRO 53 1.596 -11.058 -23.040 357 HB3 PRO 53 HB3 PRO 53 2.124 -9.952 -24.304 358 HG2 PRO 53 HG2 PRO 53 2.507 -12.881 -24.077 359 HG3 PRO 53 HG3 PRO 53 2.386 -11.872 -25.525 360 HD2 PRO 53 HD2 PRO 53 4.755 -12.868 -24.294 361 HD3 PRO 53 HD3 PRO 53 4.639 -11.734 -25.669 362 H CYS 54 H CYS 54 2.392 -12.579 -22.222 363 HA CYS 54 HA CYS 54 1.995 -13.791 -20.375 364 HB2 CYS 54 HB2 CYS 54 3.972 -14.604 -19.135 365 HB3 CYS 54 HB3 CYS 54 4.146 -14.732 -20.882 366 H GLN 55 H GLN 55 2.662 -13.924 -17.826 367 HA GLN 55 HA GLN 55 2.303 -12.988 -15.780 368 HB2 GLN 55 HB2 GLN 55 4.258 -11.594 -16.307 369 HB3 GLN 55 HB3 GLN 55 3.225 -10.435 -17.126 370 HG2 GLN 55 HG2 GLN 55 3.600 -9.479 -15.050 371 HG3 GLN 55 HG3 GLN 55 2.012 -10.224 -14.881 372 HE21 GLN 55 HE21 GLN 55 2.418 -10.127 -12.596 373 HE22 GLN 55 HE22 GLN 55 3.374 -11.353 -11.840 374 H SER 56 H SER 56 0.921 -11.128 -14.688 375 HA SER 56 HA SER 56 -1.080 -9.932 -16.253 376 HB2 SER 56 HB2 SER 56 -2.972 -11.247 -15.787 377 HB3 SER 56 HB3 SER 56 -1.721 -12.425 -16.186 378 HG SER 56 HG SER 56 -1.570 -11.940 -13.588 379 H GLY 57 H GLY 57 -3.139 -9.624 -14.453 380 HA2 GLY 57 HA2 GLY 57 -2.198 -8.977 -11.824 381 HA3 GLY 57 HA3 GLY 57 -2.290 -7.557 -12.844 382 H GLN 58 H GLN 58 -4.098 -6.484 -12.785 383 HA GLN 58 HA GLN 58 -6.310 -7.385 -11.250 384 HB2 GLN 58 HB2 GLN 58 -5.402 -4.940 -12.464 385 HB3 GLN 58 HB3 GLN 58 -7.166 -5.174 -12.542 386 HG2 GLN 58 HG2 GLN 58 -5.649 -5.735 -10.015 387 HG3 GLN 58 HG3 GLN 58 -6.044 -4.084 -10.439 388 HE21 GLN 58 HE21 GLN 58 -7.975 -6.949 -11.042 389 HE22 GLN 58 HE22 GLN 58 -9.306 -6.494 -10.040 390 H LYS 59 H LYS 59 -8.645 -6.759 -12.151 391 HA LYS 59 HA LYS 59 -9.020 -8.263 -14.502 392 HB2 LYS 59 HB2 LYS 59 -10.379 -8.781 -12.546 393 HB3 LYS 59 HB3 LYS 59 -10.956 -7.122 -12.514 394 HG2 LYS 59 HG2 LYS 59 -11.404 -8.328 -15.092 395 HG3 LYS 59 HG3 LYS 59 -12.137 -9.272 -13.795 396 HD2 LYS 59 HD2 LYS 59 -12.595 -6.462 -13.377 397 HD3 LYS 59 HD3 LYS 59 -13.137 -6.941 -14.986 398 HE2 LYS 59 HE2 LYS 59 -14.669 -8.477 -14.150 399 HE3 LYS 59 HE3 LYS 59 -13.858 -8.579 -12.587 400 HZ1 LYS 59 HZ1 LYS 59 -14.848 -6.688 -11.844 401 HZ2 LYS 59 HZ2 LYS 59 -16.062 -7.217 -12.896 402 HZ3 LYS 59 HZ3 LYS 59 -14.993 -6.001 -13.384 403 HA PRO 60 HA PRO 60 -9.385 -4.935 -17.342 404 HB2 PRO 60 HB2 PRO 60 -11.847 -6.415 -18.137 405 HB3 PRO 60 HB3 PRO 60 -10.559 -5.755 -19.159 406 HG2 PRO 60 HG2 PRO 60 -10.634 -8.352 -18.572 407 HG3 PRO 60 HG3 PRO 60 -9.094 -7.476 -18.645 408 HD2 PRO 60 HD2 PRO 60 -10.576 -8.469 -16.273 409 HD3 PRO 60 HD3 PRO 60 -8.838 -8.174 -16.473 410 H CYS 61 H CYS 61 -11.029 -3.322 -18.147 411 HA CYS 61 HA CYS 61 -13.479 -2.978 -16.795 412 HB2 CYS 61 HB2 CYS 61 -12.938 -0.771 -15.676 413 HB3 CYS 61 HB3 CYS 61 -12.414 -2.248 -14.889 414 H GLY 62 H GLY 62 -14.595 -0.853 -17.055 415 HA2 GLY 62 HA2 GLY 62 -14.361 -0.140 -19.785 416 HA3 GLY 62 HA3 GLY 62 -15.740 0.095 -18.771 417 H SER 63 H SER 63 -12.503 1.144 -17.959 418 HA SER 63 HA SER 63 -13.331 3.839 -18.354 419 HB2 SER 63 HB2 SER 63 -12.864 3.009 -15.965 420 HB3 SER 63 HB3 SER 63 -11.182 3.035 -16.455 421 HG SER 63 HG SER 63 -12.289 5.016 -15.440 422 H GLY 64 H GLY 64 -12.319 2.146 -20.313 423 HA2 GLY 64 HA2 GLY 64 -11.015 2.785 -22.159 424 HA3 GLY 64 HA3 GLY 64 -9.915 3.533 -21.039 425 H GLY 65 H GLY 65 -10.614 0.565 -19.769 426 HA2 GLY 65 HA2 GLY 65 -9.334 -1.394 -21.126 427 HA3 GLY 65 HA3 GLY 65 -8.050 -0.418 -20.535 428 H ARG 66 H ARG 66 -7.252 -2.055 -19.283 429 HA ARG 66 HA ARG 66 -8.930 -3.274 -17.386 430 HB2 ARG 66 HB2 ARG 66 -5.974 -3.699 -17.439 431 HB3 ARG 66 HB3 ARG 66 -7.233 -4.841 -16.993 432 HG2 ARG 66 HG2 ARG 66 -6.677 -3.854 -19.782 433 HG3 ARG 66 HG3 ARG 66 -6.192 -5.415 -19.123 434 HD2 ARG 66 HD2 ARG 66 -8.737 -5.646 -18.593 435 HD3 ARG 66 HD3 ARG 66 -8.910 -4.417 -19.846 436 HE ARG 66 HE ARG 66 -8.056 -7.174 -20.195 437 HH11 ARG 66 HH11 ARG 66 -8.422 -4.007 -21.617 438 HH12 ARG 66 HH12 ARG 66 -8.358 -4.594 -23.245 439 HH21 ARG 66 HH21 ARG 66 -7.971 -7.947 -22.334 440 HH22 ARG 66 HH22 ARG 66 -8.102 -6.830 -23.652 441 H CYS 67 H CYS 67 -7.550 -3.759 -15.133 442 HA CYS 67 HA CYS 67 -7.553 -1.179 -13.923 443 HB2 CYS 67 HB2 CYS 67 -8.683 -3.021 -12.791 444 HB3 CYS 67 HB3 CYS 67 -7.161 -3.895 -12.696 445 H ALA 68 H ALA 68 -5.669 -0.956 -15.513 446 HA ALA 68 HA ALA 68 -3.231 -1.742 -15.675 447 HB1 ALA 68 HB1 ALA 68 -2.860 0.220 -16.559 448 HB2 ALA 68 HB2 ALA 68 -2.912 1.009 -14.977 449 HB3 ALA 68 HB3 ALA 68 -4.395 0.757 -15.884 450 H ALA 69 H ALA 69 -3.550 0.569 -12.790 451 HA ALA 69 HA ALA 69 -1.977 -1.146 -11.167 452 HB1 ALA 69 HB1 ALA 69 -0.207 -0.151 -12.499 453 HB2 ALA 69 HB2 ALA 69 -0.217 0.517 -10.859 454 HB3 ALA 69 HB3 ALA 69 -0.885 1.468 -12.209 455 H ALA 70 H ALA 70 -2.257 -0.593 -9.118 456 HA ALA 70 HA ALA 70 -3.588 0.189 -7.300 457 HB1 ALA 70 HB1 ALA 70 -2.208 1.710 -6.470 458 HB2 ALA 70 HB2 ALA 70 -3.038 2.911 -7.468 459 HB3 ALA 70 HB3 ALA 70 -1.597 2.070 -8.084 460 H GLY 71 H GLY 71 -5.008 0.190 -9.756 461 HA2 GLY 71 HA2 GLY 71 -7.116 0.858 -10.326 462 HA3 GLY 71 HA3 GLY 71 -6.975 2.187 -9.200 463 H ILE 72 H ILE 72 -6.380 1.050 -12.310 464 HA ILE 72 HA ILE 72 -6.281 3.610 -13.466 465 HB ILE 72 HB ILE 72 -3.890 1.810 -13.814 466 HG12 ILE 72 HG12 ILE 72 -4.148 3.814 -12.079 467 HG13 ILE 72 HG13 ILE 72 -2.630 3.379 -12.847 468 HG21 ILE 72 HG21 ILE 72 -3.198 3.687 -15.468 469 HG22 ILE 72 HG22 ILE 72 -4.943 3.854 -15.674 470 HG23 ILE 72 HG23 ILE 72 -4.157 2.311 -16.013 471 HD11 ILE 72 HD11 ILE 72 -4.042 5.842 -12.988 472 HD12 ILE 72 HD12 ILE 72 -3.920 5.128 -14.628 473 HD13 ILE 72 HD13 ILE 72 -2.452 5.400 -13.638 474 H CYS 73 H CYS 73 -7.903 3.207 -14.771 475 HA CYS 73 HA CYS 73 -7.975 0.640 -15.961 476 HB2 CYS 73 HB2 CYS 73 -9.934 1.783 -14.943 477 HB3 CYS 73 HB3 CYS 73 -9.975 2.885 -16.293 478 H CYS 74 H CYS 74 -6.367 0.520 -17.323 479 HA CYS 74 HA CYS 74 -6.051 2.615 -19.345 480 HB2 CYS 74 HB2 CYS 74 -4.352 3.130 -17.888 481 HB3 CYS 74 HB3 CYS 74 -4.118 1.469 -17.394 482 H SER 75 H SER 75 -5.379 2.114 -21.200 483 HA SER 75 HA SER 75 -4.615 -0.594 -21.900 484 HB2 SER 75 HB2 SER 75 -6.552 1.139 -23.442 485 HB3 SER 75 HB3 SER 75 -5.945 -0.410 -23.998 486 HG SER 75 HG SER 75 -8.013 0.013 -22.420 487 HA PRO 76 HA PRO 76 -1.783 1.737 -24.601 488 HB2 PRO 76 HB2 PRO 76 -2.565 1.664 -27.278 489 HB3 PRO 76 HB3 PRO 76 -1.721 0.355 -26.434 490 HG2 PRO 76 HG2 PRO 76 -4.365 0.314 -27.464 491 HG3 PRO 76 HG3 PRO 76 -3.566 -0.937 -26.493 492 HD2 PRO 76 HD2 PRO 76 -5.463 1.192 -25.657 493 HD3 PRO 76 HD3 PRO 76 -5.191 -0.416 -24.964 494 H ASP 77 H ASP 77 -5.098 2.498 -25.381 495 HA ASP 77 HA ASP 77 -4.881 4.948 -26.680 496 HB2 ASP 77 HB2 ASP 77 -6.934 3.297 -25.845 497 HB3 ASP 77 HB3 ASP 77 -7.169 4.745 -24.860 498 H GLY 78 H GLY 78 -5.405 4.257 -23.238 499 HA2 GLY 78 HA2 GLY 78 -3.562 6.181 -22.443 500 HA3 GLY 78 HA3 GLY 78 -5.144 6.866 -22.280 501 H CYS 79 H CYS 79 -3.363 6.404 -20.142 502 HA CYS 79 HA CYS 79 -4.857 4.299 -18.703 503 HB2 CYS 79 HB2 CYS 79 -2.380 5.534 -17.608 504 HB3 CYS 79 HB3 CYS 79 -3.155 4.054 -17.116 505 H GLU 80 H GLU 80 -5.733 4.789 -16.800 506 HA GLU 80 HA GLU 80 -5.389 7.385 -15.710 507 HB2 GLU 80 HB2 GLU 80 -7.717 8.051 -15.872 508 HB3 GLU 80 HB3 GLU 80 -7.053 7.758 -17.465 509 HG2 GLU 80 HG2 GLU 80 -8.738 6.393 -17.872 510 HG3 GLU 80 HG3 GLU 80 -8.121 5.309 -16.625 511 H GLU 81 H GLU 81 -5.765 7.487 -13.547 512 HA GLU 81 HA GLU 81 -5.992 5.163 -12.069 513 HB2 GLU 81 HB2 GLU 81 -6.673 6.850 -10.210 514 HB3 GLU 81 HB3 GLU 81 -5.101 6.998 -10.932 515 HG2 GLU 81 HG2 GLU 81 -6.744 8.562 -12.493 516 HG3 GLU 81 HG3 GLU 81 -7.181 8.870 -10.833 517 H ASP 82 H ASP 82 -7.659 3.878 -12.060 518 HA ASP 82 HA ASP 82 -10.233 4.980 -12.573 519 HB2 ASP 82 HB2 ASP 82 -10.973 2.618 -13.015 520 HB3 ASP 82 HB3 ASP 82 -9.727 3.226 -14.102 521 HA PRO 83 HA PRO 83 -11.010 4.815 -8.153 522 HB2 PRO 83 HB2 PRO 83 -13.615 5.773 -9.253 523 HB3 PRO 83 HB3 PRO 83 -12.657 6.440 -7.918 524 HG2 PRO 83 HG2 PRO 83 -12.666 7.688 -10.235 525 HG3 PRO 83 HG3 PRO 83 -11.123 7.445 -9.394 526 HD2 PRO 83 HD2 PRO 83 -12.295 5.858 -11.657 527 HD3 PRO 83 HD3 PRO 83 -10.641 6.471 -11.474 528 H ALA 84 H ALA 84 -12.422 3.445 -10.837 529 HA ALA 84 HA ALA 84 -14.383 1.782 -9.759 530 HB1 ALA 84 HB1 ALA 84 -13.797 2.539 -12.201 531 HB2 ALA 84 HB2 ALA 84 -14.431 0.900 -11.967 532 HB3 ALA 84 HB3 ALA 84 -12.691 1.170 -12.148 533 H CYS 85 H CYS 85 -11.101 1.885 -9.770 534 HA CYS 85 HA CYS 85 -10.850 -0.794 -8.873 535 HB2 CYS 85 HB2 CYS 85 -9.461 0.302 -10.989 536 HB3 CYS 85 HB3 CYS 85 -8.327 0.137 -9.655 537 H ASP 86 H ASP 86 -9.618 2.514 -8.004 538 HA ASP 86 HA ASP 86 -9.320 1.779 -5.268 539 HB2 ASP 86 HB2 ASP 86 -7.701 0.217 -6.538 540 HB3 ASP 86 HB3 ASP 86 -6.681 1.674 -6.598 541 HA PRO 87 HA PRO 87 -6.234 5.340 -5.687 542 HB2 PRO 87 HB2 PRO 87 -6.160 6.622 -8.162 543 HB3 PRO 87 HB3 PRO 87 -5.015 5.457 -7.536 544 HG2 PRO 87 HG2 PRO 87 -6.668 5.027 -9.693 545 HG3 PRO 87 HG3 PRO 87 -5.849 3.801 -8.728 546 HD2 PRO 87 HD2 PRO 87 -8.671 4.765 -8.533 547 HD3 PRO 87 HD3 PRO 87 -8.046 3.117 -8.450 548 H GLU 88 H GLU 88 -8.200 6.470 -8.193 549 HA GLU 88 HA GLU 88 -8.880 8.885 -6.790 550 HB2 GLU 88 HB2 GLU 88 -8.482 8.537 -9.365 551 HB3 GLU 88 HB3 GLU 88 -10.143 7.975 -9.316 552 HG2 GLU 88 HG2 GLU 88 -10.727 10.192 -8.239 553 HG3 GLU 88 HG3 GLU 88 -9.104 10.716 -8.696 554 H ALA 89 H ALA 89 -9.594 5.939 -6.673 555 HA ALA 89 HA ALA 89 -12.241 5.406 -6.961 556 HB1 ALA 89 HB1 ALA 89 -11.637 3.318 -6.559 557 HB2 ALA 89 HB2 ALA 89 -10.726 3.730 -5.109 558 HB3 ALA 89 HB3 ALA 89 -10.018 4.001 -6.702 559 H ALA 90 H ALA 90 -13.225 4.121 -5.450 560 HA ALA 90 HA ALA 90 -14.243 5.416 -3.126 561 HB1 ALA 90 HB1 ALA 90 -16.113 3.779 -3.543 562 HB2 ALA 90 HB2 ALA 90 -15.217 3.294 -5.006 563 HB3 ALA 90 HB3 ALA 90 -15.859 4.938 -4.860 564 H PHE 91 H PHE 91 -15.369 2.877 -2.134 565 HA PHE 91 HA PHE 91 -12.956 1.736 -1.005 566 HB2 PHE 91 HB2 PHE 91 -15.434 1.921 0.021 567 HB3 PHE 91 HB3 PHE 91 -15.587 0.344 -0.732 568 HD1 PHE 91 HD1 PHE 91 -13.725 2.297 1.773 569 HD2 PHE 91 HD2 PHE 91 -14.526 -1.569 0.185 570 HE1 PHE 91 HE1 PHE 91 -12.585 1.273 3.700 571 HE2 PHE 91 HE2 PHE 91 -13.389 -2.600 2.108 572 HZ PHE 91 HZ PHE 91 -12.416 -1.179 3.869 573 H SER 92 H SER 92 -12.667 1.669 -3.563 574 HA SER 92 HA SER 92 -13.497 -0.881 -4.699 575 HB2 SER 92 HB2 SER 92 -13.888 0.901 -6.213 576 HB3 SER 92 HB3 SER 92 -12.340 1.686 -5.882 577 HG SER 92 HG SER 92 -12.627 -0.885 -7.084 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 -5.093 -17.188 -18.991 2 H2 ALA 1 H2 ALA 1 -4.716 -17.435 -17.337 3 H3 ALA 1 H3 ALA 1 -5.126 -18.770 -18.334 4 HA ALA 1 HA ALA 1 -3.109 -19.006 -19.049 5 HB1 ALA 1 HB1 ALA 1 -3.712 -16.686 -20.259 6 HB2 ALA 1 HB2 ALA 1 -2.148 -17.485 -20.411 7 HB3 ALA 1 HB3 ALA 1 -2.355 -16.163 -19.262 8 H VAL 2 H VAL 2 -2.374 -19.829 -17.118 9 HA VAL 2 HA VAL 2 -1.638 -18.314 -14.863 10 HB VAL 2 HB VAL 2 -0.343 -20.351 -14.187 11 HG11 VAL 2 HG11 VAL 2 -2.243 -21.594 -13.660 12 HG12 VAL 2 HG12 VAL 2 -3.059 -21.164 -15.164 13 HG13 VAL 2 HG13 VAL 2 -2.868 -19.961 -13.888 14 HG21 VAL 2 HG21 VAL 2 -1.452 -21.686 -16.632 15 HG22 VAL 2 HG22 VAL 2 -0.193 -22.248 -15.533 16 HG23 VAL 2 HG23 VAL 2 0.140 -20.927 -16.652 17 H LEU 3 H LEU 3 0.887 -19.001 -14.137 18 HA LEU 3 HA LEU 3 2.445 -17.127 -15.429 19 HB2 LEU 3 HB2 LEU 3 2.710 -18.950 -13.166 20 HB3 LEU 3 HB3 LEU 3 4.212 -18.648 -14.025 21 HG LEU 3 HG LEU 3 4.393 -16.907 -12.605 22 HD11 LEU 3 HD11 LEU 3 2.338 -15.903 -14.535 23 HD12 LEU 3 HD12 LEU 3 4.098 -15.817 -14.703 24 HD13 LEU 3 HD13 LEU 3 3.278 -14.849 -13.464 25 HD21 LEU 3 HD21 LEU 3 1.518 -17.424 -12.159 26 HD22 LEU 3 HD22 LEU 3 2.093 -15.798 -11.797 27 HD23 LEU 3 HD23 LEU 3 2.822 -17.189 -10.996 28 H ASP 4 H ASP 4 4.497 -17.415 -16.355 29 HA ASP 4 HA ASP 4 4.511 -19.425 -18.295 30 HB2 ASP 4 HB2 ASP 4 5.375 -17.125 -18.709 31 HB3 ASP 4 HB3 ASP 4 6.703 -17.467 -17.605 32 H LEU 5 H LEU 5 7.673 -19.283 -17.676 33 HA LEU 5 HA LEU 5 7.633 -21.779 -16.132 34 HB2 LEU 5 HB2 LEU 5 9.907 -20.268 -17.483 35 HB3 LEU 5 HB3 LEU 5 10.070 -21.816 -16.644 36 HG LEU 5 HG LEU 5 8.351 -21.333 -19.113 37 HD11 LEU 5 HD11 LEU 5 10.085 -22.641 -20.303 38 HD12 LEU 5 HD12 LEU 5 10.745 -21.119 -19.614 39 HD13 LEU 5 HD13 LEU 5 11.070 -22.688 -18.802 40 HD21 LEU 5 HD21 LEU 5 8.221 -23.804 -19.202 41 HD22 LEU 5 HD22 LEU 5 9.127 -23.901 -17.654 42 HD23 LEU 5 HD23 LEU 5 7.498 -23.147 -17.695 43 H ASP 6 H ASP 6 10.504 -20.835 -15.303 44 HA ASP 6 HA ASP 6 9.764 -19.933 -12.726 45 HB2 ASP 6 HB2 ASP 6 12.175 -20.894 -14.112 46 HB3 ASP 6 HB3 ASP 6 12.427 -19.901 -12.691 47 H VAL 7 H VAL 7 10.402 -18.528 -15.590 48 HA VAL 7 HA VAL 7 11.667 -16.082 -14.580 49 HB VAL 7 HB VAL 7 11.826 -15.409 -16.957 50 HG11 VAL 7 HG11 VAL 7 13.443 -17.143 -17.664 51 HG12 VAL 7 HG12 VAL 7 13.639 -16.710 -15.932 52 HG13 VAL 7 HG13 VAL 7 12.817 -18.240 -16.387 53 HG21 VAL 7 HG21 VAL 7 11.224 -17.015 -18.737 54 HG22 VAL 7 HG22 VAL 7 10.511 -18.108 -17.503 55 HG23 VAL 7 HG23 VAL 7 9.788 -16.490 -17.794 56 H ARG 8 H ARG 8 8.852 -16.830 -13.903 57 HA ARG 8 HA ARG 8 7.046 -15.626 -15.448 58 HB2 ARG 8 HB2 ARG 8 7.126 -15.919 -12.451 59 HB3 ARG 8 HB3 ARG 8 5.701 -15.496 -13.349 60 HG2 ARG 8 HG2 ARG 8 5.438 -17.580 -14.240 61 HG3 ARG 8 HG3 ARG 8 7.154 -17.962 -14.077 62 HD2 ARG 8 HD2 ARG 8 6.895 -18.071 -11.648 63 HD3 ARG 8 HD3 ARG 8 5.184 -17.687 -11.815 64 HE ARG 8 HE ARG 8 5.687 -19.948 -13.358 65 HH11 ARG 8 HH11 ARG 8 5.739 -19.029 -9.989 66 HH12 ARG 8 HH12 ARG 8 5.371 -20.623 -9.419 67 HH21 ARG 8 HH21 ARG 8 5.205 -22.044 -12.608 68 HH22 ARG 8 HH22 ARG 8 5.069 -22.335 -10.906 69 H THR 9 H THR 9 5.613 -13.672 -14.326 70 HA THR 9 HA THR 9 5.393 -11.495 -14.299 71 HB THR 9 HB THR 9 5.879 -10.775 -12.345 72 HG1 THR 9 HG1 THR 9 7.801 -9.989 -11.810 73 HG21 THR 9 HG21 THR 9 6.479 -12.219 -10.721 74 HG22 THR 9 HG22 THR 9 7.777 -12.928 -11.688 75 HG23 THR 9 HG23 THR 9 6.090 -13.295 -12.063 76 H CYS 10 H CYS 10 5.717 -10.546 -16.205 77 HA CYS 10 HA CYS 10 8.030 -10.524 -17.708 78 HB2 CYS 10 HB2 CYS 10 5.481 -9.606 -18.072 79 HB3 CYS 10 HB3 CYS 10 6.404 -8.107 -18.048 80 H LEU 11 H LEU 11 8.733 -8.037 -18.493 81 HA LEU 11 HA LEU 11 10.576 -7.310 -16.450 82 HB2 LEU 11 HB2 LEU 11 10.817 -7.237 -19.038 83 HB3 LEU 11 HB3 LEU 11 10.126 -5.633 -18.875 84 HG LEU 11 HG LEU 11 12.075 -5.479 -17.016 85 HD11 LEU 11 HD11 LEU 11 14.019 -6.498 -18.624 86 HD12 LEU 11 HD12 LEU 11 12.758 -7.723 -18.763 87 HD13 LEU 11 HD13 LEU 11 13.387 -7.281 -17.176 88 HD21 LEU 11 HD21 LEU 11 11.499 -4.099 -19.154 89 HD22 LEU 11 HD22 LEU 11 12.827 -5.016 -19.866 90 HD23 LEU 11 HD23 LEU 11 13.113 -4.007 -18.449 91 HA PRO 12 HA PRO 12 8.275 -4.117 -14.433 92 HB2 PRO 12 HB2 PRO 12 10.661 -3.176 -13.180 93 HB3 PRO 12 HB3 PRO 12 9.350 -4.116 -12.472 94 HG2 PRO 12 HG2 PRO 12 11.909 -5.033 -12.905 95 HG3 PRO 12 HG3 PRO 12 10.470 -6.026 -12.682 96 HD2 PRO 12 HD2 PRO 12 11.926 -5.345 -15.181 97 HD3 PRO 12 HD3 PRO 12 11.037 -6.823 -14.763 98 H CYS 13 H CYS 13 9.026 -1.735 -13.728 99 HA CYS 13 HA CYS 13 10.433 -0.450 -15.853 100 HB2 CYS 13 HB2 CYS 13 7.907 -0.623 -16.316 101 HB3 CYS 13 HB3 CYS 13 7.748 0.615 -15.071 102 H GLY 14 H GLY 14 9.654 2.120 -15.263 103 HA2 GLY 14 HA2 GLY 14 10.323 3.928 -13.960 104 HA3 GLY 14 HA3 GLY 14 9.837 2.908 -12.632 105 HA PRO 15 HA PRO 15 14.310 3.506 -12.035 106 HB2 PRO 15 HB2 PRO 15 14.236 4.241 -9.499 107 HB3 PRO 15 HB3 PRO 15 13.562 5.316 -10.743 108 HG2 PRO 15 HG2 PRO 15 12.085 3.360 -9.012 109 HG3 PRO 15 HG3 PRO 15 11.782 5.099 -9.224 110 HD2 PRO 15 HD2 PRO 15 10.464 3.220 -10.659 111 HD3 PRO 15 HD3 PRO 15 10.872 4.809 -11.338 112 H GLY 16 H GLY 16 14.520 1.185 -12.428 113 HA2 GLY 16 HA2 GLY 16 15.787 -0.567 -11.300 114 HA3 GLY 16 HA3 GLY 16 14.744 -0.337 -9.906 115 H GLY 17 H GLY 17 12.382 -0.762 -10.343 116 HA2 GLY 17 HA2 GLY 17 11.483 -2.294 -12.446 117 HA3 GLY 17 HA3 GLY 17 11.998 -3.390 -11.198 118 H LYS 18 H LYS 18 10.724 -0.292 -10.656 119 HA LYS 18 HA LYS 18 8.864 -0.991 -8.785 120 HB2 LYS 18 HB2 LYS 18 9.738 1.364 -10.206 121 HB3 LYS 18 HB3 LYS 18 8.043 1.414 -9.768 122 HG2 LYS 18 HG2 LYS 18 9.847 2.432 -8.208 123 HG3 LYS 18 HG3 LYS 18 8.467 1.557 -7.538 124 HD2 LYS 18 HD2 LYS 18 9.792 -0.437 -7.419 125 HD3 LYS 18 HD3 LYS 18 11.171 0.388 -8.100 126 HE2 LYS 18 HE2 LYS 18 11.740 0.635 -5.912 127 HE3 LYS 18 HE3 LYS 18 10.660 2.023 -6.035 128 HZ1 LYS 18 HZ1 LYS 18 10.432 -0.085 -4.291 129 HZ2 LYS 18 HZ2 LYS 18 9.220 -0.355 -5.438 130 HZ3 LYS 18 HZ3 LYS 18 9.270 1.107 -4.590 131 H GLY 19 H GLY 19 8.296 0.310 -11.938 132 HA2 GLY 19 HA2 GLY 19 5.665 -0.765 -11.999 133 HA3 GLY 19 HA3 GLY 19 6.368 0.312 -13.166 134 H ARG 20 H ARG 20 5.723 -0.800 -14.800 135 HA ARG 20 HA ARG 20 7.410 -2.847 -15.800 136 HB2 ARG 20 HB2 ARG 20 5.775 -4.603 -16.067 137 HB3 ARG 20 HB3 ARG 20 5.843 -4.138 -14.371 138 HG2 ARG 20 HG2 ARG 20 3.719 -3.504 -14.347 139 HG3 ARG 20 HG3 ARG 20 3.920 -2.620 -15.862 140 HD2 ARG 20 HD2 ARG 20 2.634 -4.169 -16.801 141 HD3 ARG 20 HD3 ARG 20 4.018 -5.245 -16.648 142 HE ARG 20 HE ARG 20 1.603 -5.264 -15.052 143 HH11 ARG 20 HH11 ARG 20 4.902 -6.363 -15.345 144 HH12 ARG 20 HH12 ARG 20 4.685 -7.697 -14.262 145 HH21 ARG 20 HH21 ARG 20 1.316 -7.014 -13.628 146 HH22 ARG 20 HH22 ARG 20 2.648 -8.066 -13.287 147 H CYS 21 H CYS 21 6.281 -3.683 -18.000 148 HA CYS 21 HA CYS 21 5.363 -1.221 -19.333 149 HB2 CYS 21 HB2 CYS 21 7.153 -1.744 -20.584 150 HB3 CYS 21 HB3 CYS 21 7.039 -3.424 -20.172 151 H PHE 22 H PHE 22 3.357 -1.150 -20.461 152 HA PHE 22 HA PHE 22 1.760 -3.597 -20.112 153 HB2 PHE 22 HB2 PHE 22 0.950 -0.697 -20.188 154 HB3 PHE 22 HB3 PHE 22 -0.209 -2.012 -20.299 155 HD1 PHE 22 HD1 PHE 22 2.837 -1.731 -18.186 156 HD2 PHE 22 HD2 PHE 22 -1.418 -1.882 -18.334 157 HE1 PHE 22 HE1 PHE 22 2.751 -1.842 -15.728 158 HE2 PHE 22 HE2 PHE 22 -1.504 -1.999 -15.877 159 HZ PHE 22 HZ PHE 22 0.583 -1.978 -14.573 160 H GLY 23 H GLY 23 3.435 -2.123 -22.438 161 HA2 GLY 23 HA2 GLY 23 2.879 -3.492 -24.580 162 HA3 GLY 23 HA3 GLY 23 1.376 -2.608 -24.502 163 HA PRO 24 HA PRO 24 3.474 0.310 -27.052 164 HB2 PRO 24 HB2 PRO 24 1.573 2.114 -27.335 165 HB3 PRO 24 HB3 PRO 24 1.249 0.421 -27.730 166 HG2 PRO 24 HG2 PRO 24 0.393 2.006 -25.365 167 HG3 PRO 24 HG3 PRO 24 -0.451 0.704 -26.216 168 HD2 PRO 24 HD2 PRO 24 1.118 0.509 -23.838 169 HD3 PRO 24 HD3 PRO 24 0.381 -0.823 -24.766 170 H SER 25 H SER 25 5.295 1.153 -25.950 171 HA SER 25 HA SER 25 6.570 2.770 -24.918 172 HB2 SER 25 HB2 SER 25 5.163 4.052 -26.769 173 HB3 SER 25 HB3 SER 25 4.387 4.782 -25.351 174 HG SER 25 HG SER 25 7.204 4.687 -25.627 175 H ILE 26 H ILE 26 3.992 1.527 -23.555 176 HA ILE 26 HA ILE 26 3.669 3.514 -21.474 177 HB ILE 26 HB ILE 26 1.801 2.153 -22.776 178 HG12 ILE 26 HG12 ILE 26 1.467 2.704 -19.839 179 HG13 ILE 26 HG13 ILE 26 1.679 4.010 -21.041 180 HG21 ILE 26 HG21 ILE 26 2.413 -0.043 -21.987 181 HG22 ILE 26 HG22 ILE 26 0.861 0.426 -21.286 182 HG23 ILE 26 HG23 ILE 26 2.342 0.531 -20.312 183 HD11 ILE 26 HD11 ILE 26 -0.712 2.569 -20.386 184 HD12 ILE 26 HD12 ILE 26 -0.268 2.211 -22.067 185 HD13 ILE 26 HD13 ILE 26 -0.499 3.888 -21.542 186 H CYS 27 H CYS 27 3.523 2.965 -19.350 187 HA CYS 27 HA CYS 27 4.717 0.619 -18.299 188 HB2 CYS 27 HB2 CYS 27 6.122 3.117 -18.760 189 HB3 CYS 27 HB3 CYS 27 6.151 2.617 -17.089 190 H CYS 28 H CYS 28 4.285 0.477 -16.056 191 HA CYS 28 HA CYS 28 2.774 2.599 -14.796 192 HB2 CYS 28 HB2 CYS 28 1.347 0.740 -16.031 193 HB3 CYS 28 HB3 CYS 28 1.683 -0.161 -14.556 194 H GLY 29 H GLY 29 4.082 2.956 -13.035 195 HA2 GLY 29 HA2 GLY 29 5.203 0.699 -11.694 196 HA3 GLY 29 HA3 GLY 29 5.635 2.355 -11.463 197 H ASP 30 H ASP 30 5.054 0.660 -9.232 198 HA ASP 30 HA ASP 30 2.376 0.998 -8.423 199 HB2 ASP 30 HB2 ASP 30 3.831 -0.806 -7.524 200 HB3 ASP 30 HB3 ASP 30 4.794 0.419 -6.705 201 H GLU 31 H GLU 31 5.146 2.200 -6.606 202 HA GLU 31 HA GLU 31 3.838 4.566 -5.773 203 HB2 GLU 31 HB2 GLU 31 6.048 5.106 -4.799 204 HB3 GLU 31 HB3 GLU 31 5.545 3.468 -4.392 205 HG2 GLU 31 HG2 GLU 31 7.309 2.566 -5.411 206 HG3 GLU 31 HG3 GLU 31 7.068 3.537 -6.878 207 H LEU 32 H LEU 32 4.743 3.680 -8.628 208 HA LEU 32 HA LEU 32 6.211 5.994 -9.538 209 HB2 LEU 32 HB2 LEU 32 6.492 3.332 -9.687 210 HB3 LEU 32 HB3 LEU 32 5.736 3.679 -11.191 211 HG LEU 32 HG LEU 32 8.415 4.164 -10.298 212 HD11 LEU 32 HD11 LEU 32 8.844 3.106 -12.192 213 HD12 LEU 32 HD12 LEU 32 7.618 4.014 -13.089 214 HD13 LEU 32 HD13 LEU 32 7.136 2.658 -12.052 215 HD21 LEU 32 HD21 LEU 32 7.148 6.090 -12.235 216 HD22 LEU 32 HD22 LEU 32 8.852 6.025 -11.785 217 HD23 LEU 32 HD23 LEU 32 7.642 6.508 -10.596 218 H GLY 33 H GLY 33 3.120 4.729 -9.620 219 HA2 GLY 33 HA2 GLY 33 1.196 5.632 -10.597 220 HA3 GLY 33 HA3 GLY 33 2.249 6.738 -11.414 221 H CYS 34 H CYS 34 1.163 6.531 -13.311 222 HA CYS 34 HA CYS 34 1.801 4.095 -14.791 223 HB2 CYS 34 HB2 CYS 34 -0.736 4.576 -13.904 224 HB3 CYS 34 HB3 CYS 34 -0.780 5.274 -15.519 225 H PHE 35 H PHE 35 3.152 4.798 -16.327 226 HA PHE 35 HA PHE 35 2.682 7.429 -17.548 227 HB2 PHE 35 HB2 PHE 35 5.116 5.741 -18.029 228 HB3 PHE 35 HB3 PHE 35 4.939 7.482 -18.183 229 HD1 PHE 35 HD1 PHE 35 4.855 4.775 -15.637 230 HD2 PHE 35 HD2 PHE 35 5.741 8.841 -16.531 231 HE1 PHE 35 HE1 PHE 35 5.834 5.043 -13.399 232 HE2 PHE 35 HE2 PHE 35 6.731 9.116 -14.286 233 HZ PHE 35 HZ PHE 35 6.777 7.208 -12.724 234 H VAL 36 H VAL 36 2.864 7.694 -19.798 235 HA VAL 36 HA VAL 36 2.774 5.303 -21.440 236 HB VAL 36 HB VAL 36 0.725 7.434 -21.966 237 HG11 VAL 36 HG11 VAL 36 -0.001 6.060 -23.617 238 HG12 VAL 36 HG12 VAL 36 0.378 4.594 -22.714 239 HG13 VAL 36 HG13 VAL 36 1.670 5.473 -23.546 240 HG21 VAL 36 HG21 VAL 36 0.503 6.270 -19.660 241 HG22 VAL 36 HG22 VAL 36 0.018 4.862 -20.605 242 HG23 VAL 36 HG23 VAL 36 -0.909 6.358 -20.714 243 H GLY 37 H GLY 37 4.402 5.599 -22.663 244 HA2 GLY 37 HA2 GLY 37 5.672 6.484 -24.389 245 HA3 GLY 37 HA3 GLY 37 4.509 7.790 -24.522 246 H THR 38 H THR 38 6.115 7.075 -21.491 247 HA THR 38 HA THR 38 7.615 9.604 -21.765 248 HB THR 38 HB THR 38 7.410 9.976 -19.457 249 HG1 THR 38 HG1 THR 38 6.242 7.586 -18.746 250 HG21 THR 38 HG21 THR 38 5.260 10.446 -20.174 251 HG22 THR 38 HG22 THR 38 5.020 9.362 -18.799 252 HG23 THR 38 HG23 THR 38 4.875 8.745 -20.449 253 H ALA 39 H ALA 39 9.570 9.573 -20.098 254 HA ALA 39 HA ALA 39 11.434 7.653 -21.037 255 HB1 ALA 39 HB1 ALA 39 11.503 10.009 -19.437 256 HB2 ALA 39 HB2 ALA 39 12.851 9.150 -20.182 257 HB3 ALA 39 HB3 ALA 39 12.326 8.724 -18.553 258 H GLU 40 H GLU 40 9.687 8.055 -18.022 259 HA GLU 40 HA GLU 40 10.597 5.716 -16.721 260 HB2 GLU 40 HB2 GLU 40 8.680 7.839 -16.241 261 HB3 GLU 40 HB3 GLU 40 8.120 6.277 -15.679 262 HG2 GLU 40 HG2 GLU 40 9.202 7.191 -13.838 263 HG3 GLU 40 HG3 GLU 40 10.368 6.056 -14.518 264 H ALA 41 H ALA 41 9.253 5.619 -19.548 265 HA ALA 41 HA ALA 41 7.580 3.261 -18.975 266 HB1 ALA 41 HB1 ALA 41 6.873 5.311 -21.006 267 HB2 ALA 41 HB2 ALA 41 6.275 5.382 -19.348 268 HB3 ALA 41 HB3 ALA 41 5.864 4.010 -20.381 269 H LEU 42 H LEU 42 10.173 4.412 -20.606 270 HA LEU 42 HA LEU 42 9.907 3.379 -23.181 271 HB2 LEU 42 HB2 LEU 42 12.435 3.429 -23.134 272 HB3 LEU 42 HB3 LEU 42 11.617 4.947 -22.845 273 HG LEU 42 HG LEU 42 12.596 5.215 -20.849 274 HD11 LEU 42 HD11 LEU 42 12.465 2.333 -20.037 275 HD12 LEU 42 HD12 LEU 42 11.018 3.356 -19.992 276 HD13 LEU 42 HD13 LEU 42 12.441 3.785 -19.028 277 HD21 LEU 42 HD21 LEU 42 14.691 4.746 -21.390 278 HD22 LEU 42 HD22 LEU 42 14.204 3.343 -22.342 279 HD23 LEU 42 HD23 LEU 42 14.469 3.182 -20.605 280 H ARG 43 H ARG 43 10.238 1.881 -20.186 281 HA ARG 43 HA ARG 43 11.814 -0.324 -20.553 282 HB2 ARG 43 HB2 ARG 43 10.020 0.582 -18.668 283 HB3 ARG 43 HB3 ARG 43 9.443 -0.991 -19.171 284 HG2 ARG 43 HG2 ARG 43 10.911 -1.171 -17.235 285 HG3 ARG 43 HG3 ARG 43 11.598 -1.983 -18.642 286 HD2 ARG 43 HD2 ARG 43 13.382 -0.646 -18.653 287 HD3 ARG 43 HD3 ARG 43 12.387 0.802 -18.503 288 HE ARG 43 HE ARG 43 12.328 0.210 -16.041 289 HH11 ARG 43 HH11 ARG 43 15.008 -0.646 -18.112 290 HH12 ARG 43 HH12 ARG 43 16.162 -0.659 -16.821 291 HH21 ARG 43 HH21 ARG 43 13.846 0.192 -14.346 292 HH22 ARG 43 HH22 ARG 43 15.503 -0.184 -14.684 293 H CYS 44 H CYS 44 8.988 0.336 -22.256 294 HA CYS 44 HA CYS 44 8.006 -2.254 -22.559 295 HB2 CYS 44 HB2 CYS 44 7.442 0.318 -23.656 296 HB3 CYS 44 HB3 CYS 44 7.220 -0.955 -24.840 297 H GLN 45 H GLN 45 10.890 -1.024 -23.510 298 HA GLN 45 HA GLN 45 11.240 -2.156 -26.039 299 HB2 GLN 45 HB2 GLN 45 12.869 -0.975 -23.932 300 HB3 GLN 45 HB3 GLN 45 13.717 -2.195 -24.858 301 HG2 GLN 45 HG2 GLN 45 13.343 -1.002 -26.902 302 HG3 GLN 45 HG3 GLN 45 12.296 0.154 -26.083 303 HE21 GLN 45 HE21 GLN 45 13.382 1.304 -24.211 304 HE22 GLN 45 HE22 GLN 45 14.995 1.858 -24.482 305 H GLU 46 H GLU 46 10.756 -3.306 -23.052 306 HA GLU 46 HA GLU 46 12.169 -5.840 -23.184 307 HB2 GLU 46 HB2 GLU 46 11.108 -6.384 -21.084 308 HB3 GLU 46 HB3 GLU 46 11.681 -4.727 -20.992 309 HG2 GLU 46 HG2 GLU 46 9.604 -4.548 -20.046 310 HG3 GLU 46 HG3 GLU 46 9.258 -4.133 -21.724 311 H GLU 47 H GLU 47 9.145 -4.424 -24.064 312 HA GLU 47 HA GLU 47 7.801 -6.970 -24.449 313 HB2 GLU 47 HB2 GLU 47 5.897 -5.777 -24.995 314 HB3 GLU 47 HB3 GLU 47 6.724 -4.649 -23.937 315 HG2 GLU 47 HG2 GLU 47 6.204 -3.196 -25.572 316 HG3 GLU 47 HG3 GLU 47 7.687 -3.818 -26.294 317 H ASN 48 H ASN 48 10.359 -5.970 -25.921 318 HA ASN 48 HA ASN 48 9.793 -7.319 -28.336 319 HB2 ASN 48 HB2 ASN 48 10.411 -5.524 -29.849 320 HB3 ASN 48 HB3 ASN 48 9.065 -5.011 -28.837 321 HD21 ASN 48 HD21 ASN 48 12.459 -4.634 -29.495 322 HD22 ASN 48 HD22 ASN 48 12.672 -3.166 -28.610 323 H TYR 49 H TYR 49 11.677 -7.007 -25.846 324 HA TYR 49 HA TYR 49 14.197 -7.357 -27.337 325 HB2 TYR 49 HB2 TYR 49 13.552 -5.985 -24.814 326 HB3 TYR 49 HB3 TYR 49 14.986 -7.017 -24.758 327 HD1 TYR 49 HD1 TYR 49 13.586 -4.767 -27.401 328 HD2 TYR 49 HD2 TYR 49 16.881 -5.715 -24.882 329 HE1 TYR 49 HE1 TYR 49 14.910 -2.994 -28.473 330 HE2 TYR 49 HE2 TYR 49 18.213 -3.944 -25.946 331 HH TYR 49 HH TYR 49 18.132 -2.147 -27.312 332 H LEU 50 H LEU 50 12.307 -8.521 -24.578 333 HA LEU 50 HA LEU 50 13.858 -11.016 -24.619 334 HB2 LEU 50 HB2 LEU 50 12.159 -9.704 -22.513 335 HB3 LEU 50 HB3 LEU 50 12.622 -11.392 -22.401 336 HG LEU 50 HG LEU 50 15.031 -10.132 -22.856 337 HD11 LEU 50 HD11 LEU 50 14.235 -8.517 -20.619 338 HD12 LEU 50 HD12 LEU 50 13.268 -8.119 -22.038 339 HD13 LEU 50 HD13 LEU 50 15.027 -8.039 -22.120 340 HD21 LEU 50 HD21 LEU 50 15.596 -11.147 -20.929 341 HD22 LEU 50 HD22 LEU 50 13.985 -11.855 -21.056 342 HD23 LEU 50 HD23 LEU 50 14.249 -10.439 -20.038 343 HA PRO 51 HA PRO 51 10.757 -13.627 -26.349 344 HB2 PRO 51 HB2 PRO 51 10.823 -15.004 -23.682 345 HB3 PRO 51 HB3 PRO 51 10.787 -15.709 -25.307 346 HG2 PRO 51 HG2 PRO 51 13.089 -15.579 -24.063 347 HG3 PRO 51 HG3 PRO 51 12.992 -15.065 -25.762 348 HD2 PRO 51 HD2 PRO 51 13.155 -13.386 -23.289 349 HD3 PRO 51 HD3 PRO 51 13.924 -13.141 -24.872 350 H SER 52 H SER 52 8.542 -13.906 -26.397 351 HA SER 52 HA SER 52 6.936 -12.047 -25.067 352 HB2 SER 52 HB2 SER 52 6.376 -13.101 -27.242 353 HB3 SER 52 HB3 SER 52 6.047 -14.613 -26.397 354 HG SER 52 HG SER 52 4.736 -12.186 -25.763 355 HA PRO 53 HA PRO 53 5.482 -16.254 -22.571 356 HB2 PRO 53 HB2 PRO 53 8.396 -16.672 -21.994 357 HB3 PRO 53 HB3 PRO 53 7.072 -17.843 -21.969 358 HG2 PRO 53 HG2 PRO 53 8.716 -17.666 -24.068 359 HG3 PRO 53 HG3 PRO 53 6.988 -17.999 -24.274 360 HD2 PRO 53 HD2 PRO 53 8.517 -15.565 -24.921 361 HD3 PRO 53 HD3 PRO 53 6.954 -16.115 -25.551 362 H CYS 54 H CYS 54 4.688 -14.485 -21.359 363 HA CYS 54 HA CYS 54 5.779 -14.288 -18.806 364 HB2 CYS 54 HB2 CYS 54 6.628 -12.106 -18.673 365 HB3 CYS 54 HB3 CYS 54 7.282 -12.755 -20.166 366 H GLN 55 H GLN 55 4.035 -14.454 -17.641 367 HA GLN 55 HA GLN 55 1.867 -14.290 -16.951 368 HB2 GLN 55 HB2 GLN 55 1.195 -11.998 -16.417 369 HB3 GLN 55 HB3 GLN 55 2.890 -12.269 -16.039 370 HG2 GLN 55 HG2 GLN 55 3.631 -10.893 -17.714 371 HG3 GLN 55 HG3 GLN 55 2.175 -11.106 -18.683 372 HE21 GLN 55 HE21 GLN 55 0.163 -10.444 -17.106 373 HE22 GLN 55 HE22 GLN 55 0.299 -8.816 -16.543 374 H SER 56 H SER 56 0.579 -11.569 -18.353 375 HA SER 56 HA SER 56 -0.155 -12.511 -20.879 376 HB2 SER 56 HB2 SER 56 -1.501 -14.097 -19.594 377 HB3 SER 56 HB3 SER 56 -2.252 -12.763 -18.720 378 HG SER 56 HG SER 56 -3.422 -12.264 -20.444 379 H GLY 57 H GLY 57 -2.265 -10.842 -18.550 380 HA2 GLY 57 HA2 GLY 57 -1.554 -8.242 -19.585 381 HA3 GLY 57 HA3 GLY 57 -3.120 -8.811 -20.143 382 H GLN 58 H GLN 58 -3.598 -6.687 -18.975 383 HA GLN 58 HA GLN 58 -4.071 -7.205 -16.112 384 HB2 GLN 58 HB2 GLN 58 -2.970 -4.956 -17.482 385 HB3 GLN 58 HB3 GLN 58 -4.445 -4.533 -16.611 386 HG2 GLN 58 HG2 GLN 58 -2.610 -6.231 -15.105 387 HG3 GLN 58 HG3 GLN 58 -1.954 -4.656 -15.520 388 HE21 GLN 58 HE21 GLN 58 -2.036 -4.649 -13.062 389 HE22 GLN 58 HE22 GLN 58 -3.464 -3.988 -12.349 390 H LYS 59 H LYS 59 -6.125 -8.168 -16.436 391 HA LYS 59 HA LYS 59 -8.151 -7.809 -17.866 392 HB2 LYS 59 HB2 LYS 59 -9.673 -8.208 -15.984 393 HB3 LYS 59 HB3 LYS 59 -8.228 -9.207 -15.918 394 HG2 LYS 59 HG2 LYS 59 -7.622 -6.882 -14.473 395 HG3 LYS 59 HG3 LYS 59 -9.250 -7.357 -13.985 396 HD2 LYS 59 HD2 LYS 59 -8.155 -9.748 -13.858 397 HD3 LYS 59 HD3 LYS 59 -6.668 -8.814 -13.679 398 HE2 LYS 59 HE2 LYS 59 -7.822 -7.552 -11.828 399 HE3 LYS 59 HE3 LYS 59 -9.115 -8.746 -11.926 400 HZ1 LYS 59 HZ1 LYS 59 -7.887 -10.271 -10.877 401 HZ2 LYS 59 HZ2 LYS 59 -6.936 -8.968 -10.366 402 HZ3 LYS 59 HZ3 LYS 59 -6.469 -9.877 -11.715 403 HA PRO 60 HA PRO 60 -9.123 -3.522 -18.406 404 HB2 PRO 60 HB2 PRO 60 -11.536 -4.815 -19.549 405 HB3 PRO 60 HB3 PRO 60 -10.531 -3.533 -20.227 406 HG2 PRO 60 HG2 PRO 60 -10.379 -6.104 -21.046 407 HG3 PRO 60 HG3 PRO 60 -8.995 -4.999 -21.067 408 HD2 PRO 60 HD2 PRO 60 -9.511 -7.303 -19.319 409 HD3 PRO 60 HD3 PRO 60 -7.991 -6.455 -19.669 410 H CYS 61 H CYS 61 -11.123 -2.125 -17.802 411 HA CYS 61 HA CYS 61 -12.908 -3.357 -15.973 412 HB2 CYS 61 HB2 CYS 61 -12.358 -1.268 -14.453 413 HB3 CYS 61 HB3 CYS 61 -11.518 -2.791 -14.273 414 H GLY 62 H GLY 62 -14.654 -2.256 -15.513 415 HA2 GLY 62 HA2 GLY 62 -15.956 -0.815 -17.382 416 HA3 GLY 62 HA3 GLY 62 -16.371 -0.696 -15.686 417 H SER 63 H SER 63 -13.382 0.521 -15.707 418 HA SER 63 HA SER 63 -14.359 3.184 -15.941 419 HB2 SER 63 HB2 SER 63 -12.876 2.249 -14.024 420 HB3 SER 63 HB3 SER 63 -11.561 2.517 -15.162 421 HG SER 63 HG SER 63 -11.701 4.576 -14.774 422 H GLY 64 H GLY 64 -14.177 1.651 -18.223 423 HA2 GLY 64 HA2 GLY 64 -13.450 1.655 -20.391 424 HA3 GLY 64 HA3 GLY 64 -13.199 3.339 -20.100 425 H GLY 65 H GLY 65 -11.512 0.409 -19.134 426 HA2 GLY 65 HA2 GLY 65 -9.374 0.506 -20.700 427 HA3 GLY 65 HA3 GLY 65 -8.990 1.612 -19.417 428 H ARG 66 H ARG 66 -7.259 -0.012 -19.055 429 HA ARG 66 HA ARG 66 -8.176 -2.391 -17.754 430 HB2 ARG 66 HB2 ARG 66 -5.277 -2.104 -17.964 431 HB3 ARG 66 HB3 ARG 66 -6.295 -3.518 -18.175 432 HG2 ARG 66 HG2 ARG 66 -5.925 -1.315 -20.187 433 HG3 ARG 66 HG3 ARG 66 -5.254 -2.948 -20.273 434 HD2 ARG 66 HD2 ARG 66 -7.687 -3.737 -20.072 435 HD3 ARG 66 HD3 ARG 66 -8.118 -2.078 -20.475 436 HE ARG 66 HE ARG 66 -6.254 -3.226 -22.326 437 HH11 ARG 66 HH11 ARG 66 -9.640 -2.985 -21.512 438 HH12 ARG 66 HH12 ARG 66 -10.179 -3.326 -23.122 439 HH21 ARG 66 HH21 ARG 66 -6.961 -3.678 -24.441 440 HH22 ARG 66 HH22 ARG 66 -8.658 -3.721 -24.785 441 H CYS 67 H CYS 67 -7.107 -3.219 -15.681 442 HA CYS 67 HA CYS 67 -7.150 -1.043 -13.843 443 HB2 CYS 67 HB2 CYS 67 -7.899 -3.492 -13.498 444 HB3 CYS 67 HB3 CYS 67 -6.205 -3.778 -13.263 445 H ALA 68 H ALA 68 -5.371 -0.345 -15.537 446 HA ALA 68 HA ALA 68 -2.778 -1.082 -15.487 447 HB1 ALA 68 HB1 ALA 68 -4.025 1.610 -15.672 448 HB2 ALA 68 HB2 ALA 68 -3.182 0.665 -16.900 449 HB3 ALA 68 HB3 ALA 68 -2.269 1.467 -15.622 450 H ALA 69 H ALA 69 -2.930 1.948 -13.680 451 HA ALA 69 HA ALA 69 -0.955 1.226 -11.940 452 HB1 ALA 69 HB1 ALA 69 -1.792 3.478 -12.960 453 HB2 ALA 69 HB2 ALA 69 -0.969 3.434 -11.402 454 HB3 ALA 69 HB3 ALA 69 -2.725 3.565 -11.465 455 H ALA 70 H ALA 70 -1.942 2.760 -9.742 456 HA ALA 70 HA ALA 70 -2.718 0.734 -7.925 457 HB1 ALA 70 HB1 ALA 70 -1.748 3.339 -7.679 458 HB2 ALA 70 HB2 ALA 70 -2.253 2.284 -6.353 459 HB3 ALA 70 HB3 ALA 70 -3.415 3.415 -7.079 460 H GLY 71 H GLY 71 -4.670 -0.070 -9.040 461 HA2 GLY 71 HA2 GLY 71 -6.913 -0.117 -9.350 462 HA3 GLY 71 HA3 GLY 71 -6.999 1.200 -8.201 463 H ILE 72 H ILE 72 -5.204 1.327 -11.161 464 HA ILE 72 HA ILE 72 -6.831 3.486 -12.063 465 HB ILE 72 HB ILE 72 -3.979 2.855 -12.614 466 HG12 ILE 72 HG12 ILE 72 -5.694 5.258 -12.180 467 HG13 ILE 72 HG13 ILE 72 -4.292 4.739 -11.260 468 HG21 ILE 72 HG21 ILE 72 -4.575 4.657 -14.669 469 HG22 ILE 72 HG22 ILE 72 -5.853 3.445 -14.775 470 HG23 ILE 72 HG23 ILE 72 -4.169 2.947 -14.882 471 HD11 ILE 72 HD11 ILE 72 -2.852 5.459 -13.126 472 HD12 ILE 72 HD12 ILE 72 -3.836 6.782 -12.496 473 HD13 ILE 72 HD13 ILE 72 -4.294 5.985 -14.013 474 H CYS 73 H CYS 73 -7.609 3.546 -14.118 475 HA CYS 73 HA CYS 73 -7.744 1.003 -15.391 476 HB2 CYS 73 HB2 CYS 73 -9.798 1.681 -14.091 477 HB3 CYS 73 HB3 CYS 73 -10.108 2.922 -15.293 478 H CYS 74 H CYS 74 -6.345 1.224 -16.794 479 HA CYS 74 HA CYS 74 -6.259 3.572 -18.551 480 HB2 CYS 74 HB2 CYS 74 -4.472 3.927 -17.122 481 HB3 CYS 74 HB3 CYS 74 -4.177 2.220 -16.891 482 H SER 75 H SER 75 -5.466 3.225 -20.566 483 HA SER 75 HA SER 75 -5.259 0.462 -21.400 484 HB2 SER 75 HB2 SER 75 -6.404 2.811 -22.917 485 HB3 SER 75 HB3 SER 75 -6.275 1.174 -23.551 486 HG SER 75 HG SER 75 -7.933 0.561 -22.366 487 HA PRO 76 HA PRO 76 -1.598 2.143 -23.508 488 HB2 PRO 76 HB2 PRO 76 -1.917 2.412 -26.213 489 HB3 PRO 76 HB3 PRO 76 -1.759 0.848 -25.413 490 HG2 PRO 76 HG2 PRO 76 -4.062 1.977 -26.744 491 HG3 PRO 76 HG3 PRO 76 -3.856 0.350 -26.076 492 HD2 PRO 76 HD2 PRO 76 -5.200 2.688 -24.919 493 HD3 PRO 76 HD3 PRO 76 -5.338 0.975 -24.478 494 H ASP 77 H ASP 77 -4.459 3.779 -24.607 495 HA ASP 77 HA ASP 77 -3.423 6.143 -25.658 496 HB2 ASP 77 HB2 ASP 77 -5.933 4.966 -25.335 497 HB3 ASP 77 HB3 ASP 77 -6.044 6.492 -24.466 498 H GLY 78 H GLY 78 -4.979 5.665 -22.485 499 HA2 GLY 78 HA2 GLY 78 -3.010 7.233 -21.231 500 HA3 GLY 78 HA3 GLY 78 -4.494 8.119 -21.325 501 H CYS 79 H CYS 79 -3.131 7.268 -18.932 502 HA CYS 79 HA CYS 79 -5.058 5.355 -17.848 503 HB2 CYS 79 HB2 CYS 79 -2.634 6.097 -16.352 504 HB3 CYS 79 HB3 CYS 79 -3.516 4.599 -16.348 505 H GLU 80 H GLU 80 -6.132 5.819 -16.102 506 HA GLU 80 HA GLU 80 -5.496 8.244 -14.670 507 HB2 GLU 80 HB2 GLU 80 -7.784 9.092 -14.752 508 HB3 GLU 80 HB3 GLU 80 -7.094 8.943 -16.362 509 HG2 GLU 80 HG2 GLU 80 -8.542 7.337 -16.987 510 HG3 GLU 80 HG3 GLU 80 -8.599 6.609 -15.382 511 H GLU 81 H GLU 81 -5.820 8.192 -12.440 512 HA GLU 81 HA GLU 81 -6.192 5.804 -11.198 513 HB2 GLU 81 HB2 GLU 81 -6.640 7.241 -9.144 514 HB3 GLU 81 HB3 GLU 81 -5.148 7.549 -10.017 515 HG2 GLU 81 HG2 GLU 81 -5.689 9.660 -10.153 516 HG3 GLU 81 HG3 GLU 81 -7.043 9.202 -11.171 517 H ASP 82 H ASP 82 -8.038 4.815 -12.136 518 HA ASP 82 HA ASP 82 -10.538 5.973 -11.855 519 HB2 ASP 82 HB2 ASP 82 -9.713 3.296 -12.699 520 HB3 ASP 82 HB3 ASP 82 -11.314 3.924 -12.872 521 HA PRO 83 HA PRO 83 -11.481 4.482 -7.780 522 HB2 PRO 83 HB2 PRO 83 -14.159 5.321 -8.786 523 HB3 PRO 83 HB3 PRO 83 -13.349 5.768 -7.276 524 HG2 PRO 83 HG2 PRO 83 -13.518 7.521 -9.236 525 HG3 PRO 83 HG3 PRO 83 -11.984 7.339 -8.357 526 HD2 PRO 83 HD2 PRO 83 -12.776 6.182 -11.010 527 HD3 PRO 83 HD3 PRO 83 -11.254 6.968 -10.555 528 H ALA 84 H ALA 84 -11.971 3.363 -10.795 529 HA ALA 84 HA ALA 84 -13.993 1.475 -10.311 530 HB1 ALA 84 HB1 ALA 84 -12.173 0.982 -12.511 531 HB2 ALA 84 HB2 ALA 84 -12.743 2.656 -12.473 532 HB3 ALA 84 HB3 ALA 84 -13.907 1.321 -12.557 533 H CYS 85 H CYS 85 -10.511 1.742 -10.231 534 HA CYS 85 HA CYS 85 -10.400 -0.947 -9.331 535 HB2 CYS 85 HB2 CYS 85 -8.616 0.394 -11.175 536 HB3 CYS 85 HB3 CYS 85 -7.820 -0.491 -9.896 537 H ASP 86 H ASP 86 -9.574 2.322 -8.108 538 HA ASP 86 HA ASP 86 -9.165 1.424 -5.467 539 HB2 ASP 86 HB2 ASP 86 -7.337 0.193 -6.785 540 HB3 ASP 86 HB3 ASP 86 -6.545 1.774 -6.773 541 HA PRO 87 HA PRO 87 -6.544 5.388 -5.559 542 HB2 PRO 87 HB2 PRO 87 -6.760 6.855 -7.976 543 HB3 PRO 87 HB3 PRO 87 -5.408 5.887 -7.433 544 HG2 PRO 87 HG2 PRO 87 -6.938 5.260 -9.615 545 HG3 PRO 87 HG3 PRO 87 -6.019 4.089 -8.653 546 HD2 PRO 87 HD2 PRO 87 -8.923 4.811 -8.424 547 HD3 PRO 87 HD3 PRO 87 -8.197 3.211 -8.498 548 H GLU 88 H GLU 88 -8.704 6.459 -7.917 549 HA GLU 88 HA GLU 88 -9.645 8.632 -6.301 550 HB2 GLU 88 HB2 GLU 88 -9.371 8.633 -8.875 551 HB3 GLU 88 HB3 GLU 88 -10.885 7.732 -8.880 552 HG2 GLU 88 HG2 GLU 88 -11.987 9.598 -7.717 553 HG3 GLU 88 HG3 GLU 88 -10.473 10.505 -7.775 554 H ALA 89 H ALA 89 -10.036 5.535 -6.524 555 HA ALA 89 HA ALA 89 -12.577 4.705 -6.631 556 HB1 ALA 89 HB1 ALA 89 -11.259 2.893 -5.012 557 HB2 ALA 89 HB2 ALA 89 -9.992 3.683 -5.952 558 HB3 ALA 89 HB3 ALA 89 -11.350 2.917 -6.772 559 H ALA 90 H ALA 90 -13.309 3.251 -5.207 560 HA ALA 90 HA ALA 90 -14.350 4.155 -2.705 561 HB1 ALA 90 HB1 ALA 90 -16.004 3.853 -4.482 562 HB2 ALA 90 HB2 ALA 90 -16.144 2.515 -3.332 563 HB3 ALA 90 HB3 ALA 90 -15.275 2.279 -4.868 564 H PHE 91 H PHE 91 -15.233 1.508 -2.056 565 HA PHE 91 HA PHE 91 -12.726 0.233 -1.375 566 HB2 PHE 91 HB2 PHE 91 -14.315 -1.617 -0.527 567 HB3 PHE 91 HB3 PHE 91 -14.409 -0.061 0.290 568 HD1 PHE 91 HD1 PHE 91 -16.284 1.496 -0.260 569 HD2 PHE 91 HD2 PHE 91 -16.173 -2.530 -1.635 570 HE1 PHE 91 HE1 PHE 91 -18.702 1.585 -0.706 571 HE2 PHE 91 HE2 PHE 91 -18.592 -2.448 -2.084 572 HZ PHE 91 HZ PHE 91 -19.859 -0.389 -1.618 573 H SER 92 H SER 92 -12.412 0.490 -3.776 574 HA SER 92 HA SER 92 -13.589 -1.613 -5.404 575 HB2 SER 92 HB2 SER 92 -13.627 0.222 -6.767 576 HB3 SER 92 HB3 SER 92 -12.258 1.028 -5.979 577 HG SER 92 HG SER 92 -12.251 -1.030 -7.937 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 11.749 -16.290 -14.580 2 H2 ALA 1 H2 ALA 1 11.273 -14.890 -13.710 3 H3 ALA 1 H3 ALA 1 10.969 -14.999 -15.396 4 HA ALA 1 HA ALA 1 9.578 -16.962 -14.923 5 HB1 ALA 1 HB1 ALA 1 10.489 -16.276 -12.228 6 HB2 ALA 1 HB2 ALA 1 9.869 -17.798 -12.865 7 HB3 ALA 1 HB3 ALA 1 8.755 -16.531 -12.362 8 H VAL 2 H VAL 2 8.476 -15.565 -16.342 9 HA VAL 2 HA VAL 2 7.015 -13.317 -15.181 10 HB VAL 2 HB VAL 2 6.386 -12.799 -17.521 11 HG11 VAL 2 HG11 VAL 2 8.519 -11.985 -16.407 12 HG12 VAL 2 HG12 VAL 2 8.485 -11.932 -18.169 13 HG13 VAL 2 HG13 VAL 2 9.360 -13.218 -17.338 14 HG21 VAL 2 HG21 VAL 2 8.060 -14.213 -19.123 15 HG22 VAL 2 HG22 VAL 2 6.359 -14.593 -18.878 16 HG23 VAL 2 HG23 VAL 2 7.588 -15.446 -17.956 17 H LEU 3 H LEU 3 4.828 -13.390 -14.803 18 HA LEU 3 HA LEU 3 3.450 -15.764 -15.618 19 HB2 LEU 3 HB2 LEU 3 3.586 -14.485 -13.035 20 HB3 LEU 3 HB3 LEU 3 1.956 -14.590 -13.608 21 HG LEU 3 HG LEU 3 1.802 -16.724 -13.088 22 HD11 LEU 3 HD11 LEU 3 4.243 -16.795 -14.745 23 HD12 LEU 3 HD12 LEU 3 2.607 -17.353 -15.120 24 HD13 LEU 3 HD13 LEU 3 3.628 -18.271 -14.000 25 HD21 LEU 3 HD21 LEU 3 3.588 -15.836 -11.364 26 HD22 LEU 3 HD22 LEU 3 4.613 -16.976 -12.206 27 HD23 LEU 3 HD23 LEU 3 3.146 -17.535 -11.425 28 H ASP 4 H ASP 4 1.170 -15.657 -15.856 29 HA ASP 4 HA ASP 4 0.428 -13.434 -17.473 30 HB2 ASP 4 HB2 ASP 4 -0.027 -15.794 -18.152 31 HB3 ASP 4 HB3 ASP 4 -1.139 -15.904 -16.786 32 H LEU 5 H LEU 5 -0.185 -14.818 -14.437 33 HA LEU 5 HA LEU 5 -2.550 -13.480 -13.780 34 HB2 LEU 5 HB2 LEU 5 -1.832 -14.252 -11.427 35 HB3 LEU 5 HB3 LEU 5 -2.233 -15.437 -12.651 36 HG LEU 5 HG LEU 5 0.464 -15.164 -13.004 37 HD11 LEU 5 HD11 LEU 5 1.123 -15.611 -10.508 38 HD12 LEU 5 HD12 LEU 5 -0.215 -14.502 -10.228 39 HD13 LEU 5 HD13 LEU 5 1.145 -14.017 -11.248 40 HD21 LEU 5 HD21 LEU 5 -1.172 -17.110 -11.422 41 HD22 LEU 5 HD22 LEU 5 0.562 -17.319 -11.659 42 HD23 LEU 5 HD23 LEU 5 -0.521 -17.287 -13.051 43 H ASP 6 H ASP 6 -0.212 -13.107 -11.344 44 HA ASP 6 HA ASP 6 0.211 -10.336 -11.909 45 HB2 ASP 6 HB2 ASP 6 -1.652 -11.473 -10.060 46 HB3 ASP 6 HB3 ASP 6 -0.495 -10.449 -9.230 47 H VAL 7 H VAL 7 1.290 -13.193 -10.402 48 HA VAL 7 HA VAL 7 3.024 -11.848 -8.604 49 HB VAL 7 HB VAL 7 3.865 -13.999 -7.902 50 HG11 VAL 7 HG11 VAL 7 1.731 -13.278 -6.996 51 HG12 VAL 7 HG12 VAL 7 1.770 -15.032 -7.166 52 HG13 VAL 7 HG13 VAL 7 0.883 -14.052 -8.333 53 HG21 VAL 7 HG21 VAL 7 4.099 -15.193 -9.932 54 HG22 VAL 7 HG22 VAL 7 2.389 -15.072 -10.273 55 HG23 VAL 7 HG23 VAL 7 2.941 -16.081 -8.950 56 H ARG 8 H ARG 8 3.268 -12.526 -11.856 57 HA ARG 8 HA ARG 8 5.994 -11.800 -11.816 58 HB2 ARG 8 HB2 ARG 8 4.899 -14.221 -13.144 59 HB3 ARG 8 HB3 ARG 8 6.488 -13.575 -13.378 60 HG2 ARG 8 HG2 ARG 8 7.061 -13.935 -11.117 61 HG3 ARG 8 HG3 ARG 8 5.378 -14.316 -10.751 62 HD2 ARG 8 HD2 ARG 8 5.489 -16.361 -11.862 63 HD3 ARG 8 HD3 ARG 8 6.952 -15.939 -12.706 64 HE ARG 8 HE ARG 8 7.377 -15.984 -9.907 65 HH11 ARG 8 HH11 ARG 8 6.948 -18.100 -12.653 66 HH12 ARG 8 HH12 ARG 8 7.848 -19.402 -11.949 67 HH21 ARG 8 HH21 ARG 8 8.564 -17.696 -8.983 68 HH22 ARG 8 HH22 ARG 8 8.764 -19.173 -9.865 69 H THR 9 H THR 9 6.306 -10.237 -13.272 70 HA THR 9 HA THR 9 4.323 -9.803 -15.324 71 HB THR 9 HB THR 9 6.046 -7.657 -15.389 72 HG1 THR 9 HG1 THR 9 7.095 -7.884 -13.564 73 HG21 THR 9 HG21 THR 9 3.543 -7.926 -13.750 74 HG22 THR 9 HG22 THR 9 3.634 -7.464 -15.445 75 HG23 THR 9 HG23 THR 9 4.322 -6.412 -14.212 76 H CYS 10 H CYS 10 4.967 -9.182 -17.483 77 HA CYS 10 HA CYS 10 6.775 -10.932 -18.668 78 HB2 CYS 10 HB2 CYS 10 4.835 -9.449 -19.660 79 HB3 CYS 10 HB3 CYS 10 6.138 -8.324 -19.994 80 H LEU 11 H LEU 11 7.398 -7.550 -19.398 81 HA LEU 11 HA LEU 11 10.183 -7.936 -18.523 82 HB2 LEU 11 HB2 LEU 11 9.310 -7.442 -21.060 83 HB3 LEU 11 HB3 LEU 11 9.632 -5.815 -20.489 84 HG LEU 11 HG LEU 11 11.944 -6.630 -19.836 85 HD11 LEU 11 HD11 LEU 11 12.606 -8.729 -20.209 86 HD12 LEU 11 HD12 LEU 11 11.854 -8.777 -21.803 87 HD13 LEU 11 HD13 LEU 11 10.892 -9.111 -20.363 88 HD21 LEU 11 HD21 LEU 11 11.366 -5.296 -21.882 89 HD22 LEU 11 HD22 LEU 11 11.315 -6.816 -22.775 90 HD23 LEU 11 HD23 LEU 11 12.819 -6.285 -22.021 91 HA PRO 12 HA PRO 12 9.020 -4.896 -15.419 92 HB2 PRO 12 HB2 PRO 12 11.952 -4.559 -15.253 93 HB3 PRO 12 HB3 PRO 12 10.773 -4.880 -13.982 94 HG2 PRO 12 HG2 PRO 12 12.472 -6.749 -14.992 95 HG3 PRO 12 HG3 PRO 12 10.917 -7.115 -14.224 96 HD2 PRO 12 HD2 PRO 12 11.699 -7.300 -17.044 97 HD3 PRO 12 HD3 PRO 12 10.303 -8.021 -16.219 98 H CYS 13 H CYS 13 9.588 -2.692 -14.892 99 HA CYS 13 HA CYS 13 10.761 -1.061 -16.923 100 HB2 CYS 13 HB2 CYS 13 8.366 -1.394 -17.559 101 HB3 CYS 13 HB3 CYS 13 7.909 -0.642 -16.042 102 H GLY 14 H GLY 14 9.679 1.299 -15.913 103 HA2 GLY 14 HA2 GLY 14 10.199 2.937 -14.330 104 HA3 GLY 14 HA3 GLY 14 9.754 1.687 -13.200 105 HA PRO 15 HA PRO 15 14.118 2.443 -12.245 106 HB2 PRO 15 HB2 PRO 15 13.862 2.603 -9.619 107 HB3 PRO 15 HB3 PRO 15 13.152 3.864 -10.644 108 HG2 PRO 15 HG2 PRO 15 11.800 1.463 -9.465 109 HG3 PRO 15 HG3 PRO 15 11.326 3.172 -9.330 110 HD2 PRO 15 HD2 PRO 15 10.280 1.533 -11.214 111 HD3 PRO 15 HD3 PRO 15 10.524 3.253 -11.504 112 H GLY 16 H GLY 16 14.307 0.194 -13.176 113 HA2 GLY 16 HA2 GLY 16 15.664 -1.706 -12.578 114 HA3 GLY 16 HA3 GLY 16 14.863 -1.728 -11.017 115 H GLY 17 H GLY 17 12.376 -1.922 -11.305 116 HA2 GLY 17 HA2 GLY 17 11.255 -3.249 -13.442 117 HA3 GLY 17 HA3 GLY 17 11.791 -4.474 -12.311 118 H LYS 18 H LYS 18 10.701 -1.322 -11.603 119 HA LYS 18 HA LYS 18 8.878 -1.984 -9.599 120 HB2 LYS 18 HB2 LYS 18 9.893 0.338 -11.013 121 HB3 LYS 18 HB3 LYS 18 8.249 0.513 -10.459 122 HG2 LYS 18 HG2 LYS 18 10.195 1.283 -9.002 123 HG3 LYS 18 HG3 LYS 18 8.806 0.488 -8.291 124 HD2 LYS 18 HD2 LYS 18 9.983 -1.607 -8.308 125 HD3 LYS 18 HD3 LYS 18 11.375 -0.857 -9.061 126 HE2 LYS 18 HE2 LYS 18 12.115 -0.707 -6.928 127 HE3 LYS 18 HE3 LYS 18 11.089 0.728 -6.892 128 HZ1 LYS 18 HZ1 LYS 18 9.498 -1.499 -6.312 129 HZ2 LYS 18 HZ2 LYS 18 9.906 -0.213 -5.292 130 HZ3 LYS 18 HZ3 LYS 18 10.881 -1.594 -5.341 131 H GLY 19 H GLY 19 8.713 -1.643 -12.948 132 HA2 GLY 19 HA2 GLY 19 5.938 -2.340 -13.030 133 HA3 GLY 19 HA3 GLY 19 6.428 -0.882 -13.881 134 H ARG 20 H ARG 20 5.915 -1.684 -15.794 135 HA ARG 20 HA ARG 20 7.905 -3.125 -17.192 136 HB2 ARG 20 HB2 ARG 20 6.754 -5.086 -17.775 137 HB3 ARG 20 HB3 ARG 20 6.630 -4.945 -16.033 138 HG2 ARG 20 HG2 ARG 20 4.430 -5.048 -16.186 139 HG3 ARG 20 HG3 ARG 20 4.469 -3.599 -17.195 140 HD2 ARG 20 HD2 ARG 20 3.875 -4.776 -18.953 141 HD3 ARG 20 HD3 ARG 20 5.330 -5.736 -18.780 142 HE ARG 20 HE ARG 20 3.897 -7.088 -17.149 143 HH11 ARG 20 HH11 ARG 20 2.673 -5.493 -19.999 144 HH12 ARG 20 HH12 ARG 20 1.372 -6.607 -20.220 145 HH21 ARG 20 HH21 ARG 20 2.185 -8.551 -17.435 146 HH22 ARG 20 HH22 ARG 20 1.091 -8.345 -18.769 147 H CYS 21 H CYS 21 6.866 -3.710 -19.514 148 HA CYS 21 HA CYS 21 5.547 -1.247 -20.433 149 HB2 CYS 21 HB2 CYS 21 7.594 -3.036 -21.500 150 HB3 CYS 21 HB3 CYS 21 6.334 -2.659 -22.661 151 H PHE 22 H PHE 22 3.368 -1.427 -21.185 152 HA PHE 22 HA PHE 22 2.337 -4.137 -21.253 153 HB2 PHE 22 HB2 PHE 22 1.113 -1.418 -20.974 154 HB3 PHE 22 HB3 PHE 22 0.133 -2.834 -21.282 155 HD1 PHE 22 HD1 PHE 22 3.194 -2.663 -19.175 156 HD2 PHE 22 HD2 PHE 22 -1.059 -2.975 -19.254 157 HE1 PHE 22 HE1 PHE 22 3.173 -3.149 -16.766 158 HE2 PHE 22 HE2 PHE 22 -1.063 -3.469 -16.844 159 HZ PHE 22 HZ PHE 22 1.058 -3.557 -15.602 160 H GLY 23 H GLY 23 3.532 -2.028 -23.514 161 HA2 GLY 23 HA2 GLY 23 3.031 -3.424 -25.734 162 HA3 GLY 23 HA3 GLY 23 1.482 -2.676 -25.508 163 HA PRO 24 HA PRO 24 3.203 0.619 -27.880 164 HB2 PRO 24 HB2 PRO 24 1.231 2.378 -27.780 165 HB3 PRO 24 HB3 PRO 24 0.935 0.741 -28.377 166 HG2 PRO 24 HG2 PRO 24 0.202 1.960 -25.767 167 HG3 PRO 24 HG3 PRO 24 -0.641 0.737 -26.729 168 HD2 PRO 24 HD2 PRO 24 1.093 0.306 -24.512 169 HD3 PRO 24 HD3 PRO 24 0.350 -0.925 -25.555 170 H SER 25 H SER 25 5.081 1.235 -26.621 171 HA SER 25 HA SER 25 6.387 2.734 -25.465 172 HB2 SER 25 HB2 SER 25 4.969 4.213 -27.191 173 HB3 SER 25 HB3 SER 25 4.293 4.855 -25.689 174 HG SER 25 HG SER 25 6.496 5.266 -25.041 175 H ILE 26 H ILE 26 3.899 1.338 -24.181 176 HA ILE 26 HA ILE 26 3.484 3.155 -21.959 177 HB ILE 26 HB ILE 26 1.669 1.773 -23.318 178 HG12 ILE 26 HG12 ILE 26 1.310 2.009 -20.363 179 HG13 ILE 26 HG13 ILE 26 1.563 3.454 -21.360 180 HG21 ILE 26 HG21 ILE 26 2.394 -0.444 -22.753 181 HG22 ILE 26 HG22 ILE 26 0.885 -0.113 -21.902 182 HG23 ILE 26 HG23 ILE 26 2.420 -0.028 -21.036 183 HD11 ILE 26 HD11 ILE 26 -0.582 3.422 -21.957 184 HD12 ILE 26 HD12 ILE 26 -0.841 2.001 -20.948 185 HD13 ILE 26 HD13 ILE 26 -0.372 1.818 -22.646 186 H CYS 27 H CYS 27 3.392 2.410 -19.857 187 HA CYS 27 HA CYS 27 4.811 0.056 -19.111 188 HB2 CYS 27 HB2 CYS 27 5.995 2.673 -19.255 189 HB3 CYS 27 HB3 CYS 27 6.070 2.022 -17.636 190 H CYS 28 H CYS 28 4.354 -0.523 -16.986 191 HA CYS 28 HA CYS 28 2.756 1.250 -15.341 192 HB2 CYS 28 HB2 CYS 28 1.451 -0.489 -16.943 193 HB3 CYS 28 HB3 CYS 28 1.755 -1.522 -15.558 194 H GLY 29 H GLY 29 3.495 1.146 -13.302 195 HA2 GLY 29 HA2 GLY 29 5.012 -1.205 -12.564 196 HA3 GLY 29 HA3 GLY 29 5.335 0.389 -11.993 197 H ASP 30 H ASP 30 4.979 -1.644 -10.110 198 HA ASP 30 HA ASP 30 2.266 -1.785 -9.285 199 HB2 ASP 30 HB2 ASP 30 4.587 -3.158 -8.645 200 HB3 ASP 30 HB3 ASP 30 4.227 -2.266 -7.173 201 H GLU 31 H GLU 31 4.908 -0.597 -7.247 202 HA GLU 31 HA GLU 31 3.284 1.383 -6.020 203 HB2 GLU 31 HB2 GLU 31 5.375 2.026 -4.893 204 HB3 GLU 31 HB3 GLU 31 5.164 0.280 -4.853 205 HG2 GLU 31 HG2 GLU 31 7.099 -0.037 -5.882 206 HG3 GLU 31 HG3 GLU 31 6.631 1.027 -7.210 207 H LEU 32 H LEU 32 4.585 1.095 -8.946 208 HA LEU 32 HA LEU 32 5.664 3.689 -9.417 209 HB2 LEU 32 HB2 LEU 32 5.933 1.081 -10.212 210 HB3 LEU 32 HB3 LEU 32 5.254 1.875 -11.588 211 HG LEU 32 HG LEU 32 7.887 2.139 -10.360 212 HD11 LEU 32 HD11 LEU 32 7.352 2.356 -13.234 213 HD12 LEU 32 HD12 LEU 32 6.932 0.829 -12.452 214 HD13 LEU 32 HD13 LEU 32 8.584 1.439 -12.364 215 HD21 LEU 32 HD21 LEU 32 6.786 4.260 -12.144 216 HD22 LEU 32 HD22 LEU 32 8.378 4.211 -11.428 217 HD23 LEU 32 HD23 LEU 32 6.962 4.457 -10.409 218 H GLY 33 H GLY 33 2.684 2.083 -9.881 219 HA2 GLY 33 HA2 GLY 33 0.670 2.884 -10.683 220 HA3 GLY 33 HA3 GLY 33 1.468 4.416 -10.956 221 H CYS 34 H CYS 34 0.229 4.441 -12.992 222 HA CYS 34 HA CYS 34 1.521 2.710 -14.981 223 HB2 CYS 34 HB2 CYS 34 -1.173 2.933 -14.460 224 HB3 CYS 34 HB3 CYS 34 -0.951 3.914 -15.903 225 H PHE 35 H PHE 35 2.338 3.521 -16.808 226 HA PHE 35 HA PHE 35 2.159 6.424 -17.278 227 HB2 PHE 35 HB2 PHE 35 4.724 4.993 -17.856 228 HB3 PHE 35 HB3 PHE 35 4.443 6.706 -17.608 229 HD1 PHE 35 HD1 PHE 35 4.236 3.492 -15.734 230 HD2 PHE 35 HD2 PHE 35 5.191 7.638 -15.669 231 HE1 PHE 35 HE1 PHE 35 5.065 3.263 -13.430 232 HE2 PHE 35 HE2 PHE 35 6.027 7.414 -13.366 233 HZ PHE 35 HZ PHE 35 5.957 5.234 -12.254 234 H VAL 36 H VAL 36 2.518 7.042 -19.465 235 HA VAL 36 HA VAL 36 2.678 4.893 -21.414 236 HB VAL 36 HB VAL 36 0.609 7.024 -21.850 237 HG11 VAL 36 HG11 VAL 36 0.506 4.285 -23.000 238 HG12 VAL 36 HG12 VAL 36 1.722 5.393 -23.623 239 HG13 VAL 36 HG13 VAL 36 0.011 5.821 -23.701 240 HG21 VAL 36 HG21 VAL 36 -0.122 4.292 -20.903 241 HG22 VAL 36 HG22 VAL 36 -1.096 5.745 -20.926 242 HG23 VAL 36 HG23 VAL 36 0.202 5.565 -19.753 243 H GLY 37 H GLY 37 4.306 5.354 -22.589 244 HA2 GLY 37 HA2 GLY 37 5.836 6.511 -23.858 245 HA3 GLY 37 HA3 GLY 37 4.565 7.693 -24.140 246 H THR 38 H THR 38 5.128 7.264 -20.844 247 HA THR 38 HA THR 38 6.336 9.875 -20.627 248 HB THR 38 HB THR 38 5.667 7.931 -18.418 249 HG1 THR 38 HG1 THR 38 3.647 8.688 -18.442 250 HG21 THR 38 HG21 THR 38 5.366 10.840 -18.061 251 HG22 THR 38 HG22 THR 38 7.002 10.215 -18.105 252 HG23 THR 38 HG23 THR 38 5.867 9.595 -16.920 253 H ALA 39 H ALA 39 8.045 9.980 -18.690 254 HA ALA 39 HA ALA 39 10.434 8.914 -19.650 255 HB1 ALA 39 HB1 ALA 39 9.837 10.854 -17.897 256 HB2 ALA 39 HB2 ALA 39 11.438 10.126 -18.028 257 HB3 ALA 39 HB3 ALA 39 10.320 9.581 -16.775 258 H GLU 40 H GLU 40 8.549 7.952 -16.792 259 HA GLU 40 HA GLU 40 10.158 5.719 -16.148 260 HB2 GLU 40 HB2 GLU 40 7.700 6.941 -15.201 261 HB3 GLU 40 HB3 GLU 40 7.642 5.188 -15.137 262 HG2 GLU 40 HG2 GLU 40 8.521 5.645 -13.085 263 HG3 GLU 40 HG3 GLU 40 9.993 5.442 -14.033 264 H ALA 41 H ALA 41 8.632 6.062 -18.942 265 HA ALA 41 HA ALA 41 7.739 3.266 -19.087 266 HB1 ALA 41 HB1 ALA 41 6.685 5.478 -20.771 267 HB2 ALA 41 HB2 ALA 41 6.002 5.109 -19.193 268 HB3 ALA 41 HB3 ALA 41 5.964 3.902 -20.474 269 H LEU 42 H LEU 42 10.069 5.334 -20.188 270 HA LEU 42 HA LEU 42 10.203 4.753 -22.916 271 HB2 LEU 42 HB2 LEU 42 12.638 5.403 -22.590 272 HB3 LEU 42 HB3 LEU 42 11.420 6.600 -22.201 273 HG LEU 42 HG LEU 42 12.069 6.758 -20.065 274 HD11 LEU 42 HD11 LEU 42 11.142 4.411 -19.662 275 HD12 LEU 42 HD12 LEU 42 12.335 5.019 -18.534 276 HD13 LEU 42 HD13 LEU 42 12.811 3.863 -19.783 277 HD21 LEU 42 HD21 LEU 42 14.296 5.831 -21.631 278 HD22 LEU 42 HD22 LEU 42 14.491 5.400 -19.933 279 HD23 LEU 42 HD23 LEU 42 14.231 7.082 -20.390 280 H ARG 43 H ARG 43 10.740 2.874 -20.176 281 HA ARG 43 HA ARG 43 12.841 1.223 -20.639 282 HB2 ARG 43 HB2 ARG 43 10.582 1.251 -19.010 283 HB3 ARG 43 HB3 ARG 43 10.624 -0.321 -19.778 284 HG2 ARG 43 HG2 ARG 43 11.791 -0.293 -17.615 285 HG3 ARG 43 HG3 ARG 43 12.847 -0.718 -18.952 286 HD2 ARG 43 HD2 ARG 43 14.061 1.185 -18.784 287 HD3 ARG 43 HD3 ARG 43 12.687 2.142 -18.235 288 HE ARG 43 HE ARG 43 13.034 0.786 -16.067 289 HH11 ARG 43 HH11 ARG 43 15.583 1.872 -18.194 290 HH12 ARG 43 HH12 ARG 43 16.761 1.971 -16.933 291 HH21 ARG 43 HH21 ARG 43 14.588 0.924 -14.413 292 HH22 ARG 43 HH22 ARG 43 16.198 1.432 -14.783 293 H CYS 44 H CYS 44 10.116 1.460 -22.649 294 HA CYS 44 HA CYS 44 9.947 -1.197 -23.496 295 HB2 CYS 44 HB2 CYS 44 8.886 1.349 -24.352 296 HB3 CYS 44 HB3 CYS 44 9.119 0.225 -25.679 297 H GLN 45 H GLN 45 12.427 0.967 -23.860 298 HA GLN 45 HA GLN 45 13.390 0.324 -26.406 299 HB2 GLN 45 HB2 GLN 45 15.644 0.762 -24.955 300 HB3 GLN 45 HB3 GLN 45 14.705 2.039 -25.694 301 HG2 GLN 45 HG2 GLN 45 13.538 2.362 -23.566 302 HG3 GLN 45 HG3 GLN 45 14.494 1.067 -22.850 303 HE21 GLN 45 HE21 GLN 45 15.422 2.369 -21.307 304 HE22 GLN 45 HE22 GLN 45 16.587 3.589 -21.683 305 H GLU 46 H GLU 46 13.286 -1.098 -23.384 306 HA GLU 46 HA GLU 46 15.284 -3.111 -23.584 307 HB2 GLU 46 HB2 GLU 46 13.012 -2.414 -21.788 308 HB3 GLU 46 HB3 GLU 46 13.720 -4.004 -21.661 309 HG2 GLU 46 HG2 GLU 46 15.909 -2.983 -21.260 310 HG3 GLU 46 HG3 GLU 46 15.162 -1.390 -21.377 311 H GLU 47 H GLU 47 12.056 -2.699 -24.720 312 HA GLU 47 HA GLU 47 11.242 -5.399 -24.870 313 HB2 GLU 47 HB2 GLU 47 9.795 -3.307 -25.118 314 HB3 GLU 47 HB3 GLU 47 10.391 -3.212 -26.769 315 HG2 GLU 47 HG2 GLU 47 9.517 -5.850 -26.398 316 HG3 GLU 47 HG3 GLU 47 8.282 -4.810 -25.689 317 H ASN 48 H ASN 48 13.884 -4.083 -26.244 318 HA ASN 48 HA ASN 48 13.885 -4.724 -28.916 319 HB2 ASN 48 HB2 ASN 48 16.369 -5.033 -28.613 320 HB3 ASN 48 HB3 ASN 48 15.726 -3.519 -27.984 321 HD21 ASN 48 HD21 ASN 48 15.692 -3.160 -25.776 322 HD22 ASN 48 HD22 ASN 48 16.545 -4.165 -24.659 323 H TYR 49 H TYR 49 13.855 -6.803 -26.172 324 HA TYR 49 HA TYR 49 14.796 -9.136 -27.613 325 HB2 TYR 49 HB2 TYR 49 13.585 -8.863 -24.846 326 HB3 TYR 49 HB3 TYR 49 14.273 -10.344 -25.510 327 HD1 TYR 49 HD1 TYR 49 15.020 -7.007 -24.191 328 HD2 TYR 49 HD2 TYR 49 16.670 -10.614 -25.722 329 HE1 TYR 49 HE1 TYR 49 17.236 -6.336 -23.363 330 HE2 TYR 49 HE2 TYR 49 18.891 -9.956 -24.897 331 HH TYR 49 HH TYR 49 19.905 -7.250 -24.302 332 H LEU 50 H LEU 50 13.500 -10.945 -28.157 333 HA LEU 50 HA LEU 50 10.665 -10.265 -28.509 334 HB2 LEU 50 HB2 LEU 50 12.342 -12.317 -29.955 335 HB3 LEU 50 HB3 LEU 50 10.663 -11.950 -30.297 336 HG LEU 50 HG LEU 50 11.970 -10.872 -31.964 337 HD11 LEU 50 HD11 LEU 50 10.403 -9.293 -31.705 338 HD12 LEU 50 HD12 LEU 50 11.704 -8.348 -30.983 339 HD13 LEU 50 HD13 LEU 50 10.592 -9.246 -29.956 340 HD21 LEU 50 HD21 LEU 50 13.570 -9.615 -29.740 341 HD22 LEU 50 HD22 LEU 50 13.783 -9.334 -31.463 342 HD23 LEU 50 HD23 LEU 50 14.116 -10.926 -30.782 343 HA PRO 51 HA PRO 51 10.698 -13.481 -25.070 344 HB2 PRO 51 HB2 PRO 51 8.194 -11.898 -24.655 345 HB3 PRO 51 HB3 PRO 51 9.307 -12.579 -23.455 346 HG2 PRO 51 HG2 PRO 51 9.474 -10.023 -23.937 347 HG3 PRO 51 HG3 PRO 51 10.969 -10.987 -23.939 348 HD2 PRO 51 HD2 PRO 51 9.351 -10.040 -26.292 349 HD3 PRO 51 HD3 PRO 51 11.100 -9.936 -26.018 350 H SER 52 H SER 52 8.330 -14.558 -24.349 351 HA SER 52 HA SER 52 6.703 -15.081 -26.682 352 HB2 SER 52 HB2 SER 52 7.186 -17.684 -25.925 353 HB3 SER 52 HB3 SER 52 7.905 -16.879 -27.320 354 HG SER 52 HG SER 52 9.100 -17.771 -25.086 355 HA PRO 53 HA PRO 53 4.454 -16.835 -22.960 356 HB2 PRO 53 HB2 PRO 53 5.687 -18.253 -21.079 357 HB3 PRO 53 HB3 PRO 53 5.539 -18.878 -22.724 358 HG2 PRO 53 HG2 PRO 53 7.916 -17.804 -21.322 359 HG3 PRO 53 HG3 PRO 53 7.825 -18.977 -22.644 360 HD2 PRO 53 HD2 PRO 53 8.341 -16.152 -22.807 361 HD3 PRO 53 HD3 PRO 53 8.258 -17.329 -24.115 362 H CYS 54 H CYS 54 3.607 -15.203 -21.784 363 HA CYS 54 HA CYS 54 4.547 -14.601 -19.233 364 HB2 CYS 54 HB2 CYS 54 5.512 -12.474 -19.405 365 HB3 CYS 54 HB3 CYS 54 6.215 -13.384 -20.734 366 H GLN 55 H GLN 55 3.544 -11.988 -18.911 367 HA GLN 55 HA GLN 55 0.744 -12.570 -18.770 368 HB2 GLN 55 HB2 GLN 55 2.350 -11.183 -17.167 369 HB3 GLN 55 HB3 GLN 55 1.796 -9.869 -18.165 370 HG2 GLN 55 HG2 GLN 55 -0.483 -11.340 -17.463 371 HG3 GLN 55 HG3 GLN 55 0.477 -11.152 -15.996 372 HE21 GLN 55 HE21 GLN 55 -1.807 -9.747 -17.967 373 HE22 GLN 55 HE22 GLN 55 -1.711 -8.126 -17.383 374 H SER 56 H SER 56 -0.526 -10.208 -19.120 375 HA SER 56 HA SER 56 -0.022 -8.760 -21.407 376 HB2 SER 56 HB2 SER 56 -0.286 -10.876 -22.626 377 HB3 SER 56 HB3 SER 56 -1.888 -11.087 -21.920 378 HG SER 56 HG SER 56 -1.146 -9.628 -24.067 379 H GLY 57 H GLY 57 -3.095 -10.369 -20.582 380 HA2 GLY 57 HA2 GLY 57 -4.235 -7.704 -20.069 381 HA3 GLY 57 HA3 GLY 57 -5.155 -9.150 -20.464 382 H GLN 58 H GLN 58 -4.872 -7.058 -18.141 383 HA GLN 58 HA GLN 58 -4.936 -9.038 -15.971 384 HB2 GLN 58 HB2 GLN 58 -3.676 -6.410 -16.292 385 HB3 GLN 58 HB3 GLN 58 -4.503 -6.657 -14.762 386 HG2 GLN 58 HG2 GLN 58 -2.995 -8.982 -15.341 387 HG3 GLN 58 HG3 GLN 58 -1.959 -7.577 -15.566 388 HE21 GLN 58 HE21 GLN 58 -4.442 -8.690 -13.293 389 HE22 GLN 58 HE22 GLN 58 -3.579 -8.244 -11.865 390 H LYS 59 H LYS 59 -6.602 -9.049 -14.634 391 HA LYS 59 HA LYS 59 -9.068 -8.820 -14.851 392 HB2 LYS 59 HB2 LYS 59 -9.493 -7.751 -12.600 393 HB3 LYS 59 HB3 LYS 59 -8.329 -9.068 -12.601 394 HG2 LYS 59 HG2 LYS 59 -6.636 -7.044 -12.916 395 HG3 LYS 59 HG3 LYS 59 -7.934 -6.181 -12.089 396 HD2 LYS 59 HD2 LYS 59 -7.610 -8.594 -10.698 397 HD3 LYS 59 HD3 LYS 59 -5.978 -8.008 -11.026 398 HE2 LYS 59 HE2 LYS 59 -6.172 -6.488 -9.422 399 HE3 LYS 59 HE3 LYS 59 -7.601 -5.811 -10.201 400 HZ1 LYS 59 HZ1 LYS 59 -7.753 -6.757 -7.809 401 HZ2 LYS 59 HZ2 LYS 59 -7.861 -8.254 -8.588 402 HZ3 LYS 59 HZ3 LYS 59 -9.008 -7.051 -8.906 403 HA PRO 60 HA PRO 60 -9.352 -4.932 -17.216 404 HB2 PRO 60 HB2 PRO 60 -11.837 -6.349 -17.968 405 HB3 PRO 60 HB3 PRO 60 -10.683 -5.483 -18.986 406 HG2 PRO 60 HG2 PRO 60 -10.736 -8.157 -18.856 407 HG3 PRO 60 HG3 PRO 60 -9.240 -7.260 -19.064 408 HD2 PRO 60 HD2 PRO 60 -10.225 -8.696 -16.693 409 HD3 PRO 60 HD3 PRO 60 -8.573 -8.292 -17.183 410 H CYS 61 H CYS 61 -10.916 -3.358 -17.540 411 HA CYS 61 HA CYS 61 -13.296 -3.256 -15.972 412 HB2 CYS 61 HB2 CYS 61 -12.605 -0.999 -14.921 413 HB3 CYS 61 HB3 CYS 61 -12.110 -2.503 -14.153 414 H GLY 62 H GLY 62 -14.546 -1.281 -16.198 415 HA2 GLY 62 HA2 GLY 62 -14.555 -0.480 -18.913 416 HA3 GLY 62 HA3 GLY 62 -15.784 -0.188 -17.706 417 H SER 63 H SER 63 -12.533 0.764 -16.980 418 HA SER 63 HA SER 63 -13.313 3.498 -17.410 419 HB2 SER 63 HB2 SER 63 -12.603 2.705 -15.076 420 HB3 SER 63 HB3 SER 63 -10.989 2.640 -15.746 421 HG SER 63 HG SER 63 -12.242 4.983 -16.297 422 H GLY 64 H GLY 64 -12.575 1.905 -19.547 423 HA2 GLY 64 HA2 GLY 64 -11.447 2.453 -21.505 424 HA3 GLY 64 HA3 GLY 64 -10.337 3.402 -20.553 425 H GLY 65 H GLY 65 -10.698 0.392 -19.190 426 HA2 GLY 65 HA2 GLY 65 -9.254 -1.396 -20.627 427 HA3 GLY 65 HA3 GLY 65 -8.053 -0.333 -19.981 428 H ARG 66 H ARG 66 -7.090 -1.993 -18.858 429 HA ARG 66 HA ARG 66 -8.644 -3.444 -16.980 430 HB2 ARG 66 HB2 ARG 66 -5.677 -3.682 -17.325 431 HB3 ARG 66 HB3 ARG 66 -6.803 -4.908 -16.787 432 HG2 ARG 66 HG2 ARG 66 -6.623 -3.800 -19.578 433 HG3 ARG 66 HG3 ARG 66 -5.990 -5.355 -19.041 434 HD2 ARG 66 HD2 ARG 66 -8.398 -5.796 -18.276 435 HD3 ARG 66 HD3 ARG 66 -8.833 -4.476 -19.353 436 HE ARG 66 HE ARG 66 -7.875 -7.118 -20.098 437 HH11 ARG 66 HH11 ARG 66 -8.589 -3.858 -21.122 438 HH12 ARG 66 HH12 ARG 66 -8.697 -4.278 -22.798 439 HH21 ARG 66 HH21 ARG 66 -8.022 -7.671 -22.300 440 HH22 ARG 66 HH22 ARG 66 -8.376 -6.442 -23.468 441 H CYS 67 H CYS 67 -7.070 -4.039 -14.913 442 HA CYS 67 HA CYS 67 -7.159 -1.611 -13.419 443 HB2 CYS 67 HB2 CYS 67 -7.946 -3.721 -12.424 444 HB3 CYS 67 HB3 CYS 67 -6.327 -4.384 -12.581 445 H ALA 68 H ALA 68 -5.453 -1.240 -15.374 446 HA ALA 68 HA ALA 68 -2.980 -1.790 -15.735 447 HB1 ALA 68 HB1 ALA 68 -3.405 0.153 -16.760 448 HB2 ALA 68 HB2 ALA 68 -2.420 0.778 -15.443 449 HB3 ALA 68 HB3 ALA 68 -4.171 0.868 -15.346 450 H ALA 69 H ALA 69 -3.353 0.474 -12.870 451 HA ALA 69 HA ALA 69 -1.430 -1.045 -11.366 452 HB1 ALA 69 HB1 ALA 69 0.083 0.859 -11.145 453 HB2 ALA 69 HB2 ALA 69 -0.865 1.759 -12.333 454 HB3 ALA 69 HB3 ALA 69 0.013 0.300 -12.807 455 H ALA 70 H ALA 70 -1.530 -0.535 -9.240 456 HA ALA 70 HA ALA 70 -3.039 -0.075 -7.408 457 HB1 ALA 70 HB1 ALA 70 -2.450 2.534 -6.935 458 HB2 ALA 70 HB2 ALA 70 -1.060 2.008 -7.894 459 HB3 ALA 70 HB3 ALA 70 -1.482 1.158 -6.402 460 H GLY 71 H GLY 71 -4.906 -0.080 -8.945 461 HA2 GLY 71 HA2 GLY 71 -6.927 0.814 -9.548 462 HA3 GLY 71 HA3 GLY 71 -6.620 2.071 -8.399 463 H ILE 72 H ILE 72 -6.002 0.976 -11.570 464 HA ILE 72 HA ILE 72 -6.112 3.547 -12.718 465 HB ILE 72 HB ILE 72 -3.516 2.089 -12.624 466 HG12 ILE 72 HG12 ILE 72 -4.302 4.236 -11.381 467 HG13 ILE 72 HG13 ILE 72 -2.651 4.019 -11.924 468 HG21 ILE 72 HG21 ILE 72 -3.585 2.106 -14.935 469 HG22 ILE 72 HG22 ILE 72 -2.788 3.615 -14.567 470 HG23 ILE 72 HG23 ILE 72 -4.489 3.607 -15.011 471 HD11 ILE 72 HD11 ILE 72 -4.197 5.219 -14.013 472 HD12 ILE 72 HD12 ILE 72 -2.758 5.815 -13.175 473 HD13 ILE 72 HD13 ILE 72 -4.356 6.144 -12.513 474 H CYS 73 H CYS 73 -7.721 2.962 -13.933 475 HA CYS 73 HA CYS 73 -7.630 0.425 -15.212 476 HB2 CYS 73 HB2 CYS 73 -9.678 1.316 -14.164 477 HB3 CYS 73 HB3 CYS 73 -9.766 2.546 -15.393 478 H CYS 74 H CYS 74 -6.084 0.428 -16.686 479 HA CYS 74 HA CYS 74 -6.127 2.570 -18.691 480 HB2 CYS 74 HB2 CYS 74 -4.406 3.192 -17.273 481 HB3 CYS 74 HB3 CYS 74 -3.910 1.576 -16.978 482 H SER 75 H SER 75 -5.475 2.161 -20.606 483 HA SER 75 HA SER 75 -4.627 -0.535 -21.346 484 HB2 SER 75 HB2 SER 75 -6.568 1.263 -22.826 485 HB3 SER 75 HB3 SER 75 -5.983 -0.284 -23.427 486 HG SER 75 HG SER 75 -7.127 -1.346 -21.941 487 HA PRO 76 HA PRO 76 -1.809 1.943 -23.935 488 HB2 PRO 76 HB2 PRO 76 -2.539 1.961 -26.610 489 HB3 PRO 76 HB3 PRO 76 -1.742 0.612 -25.801 490 HG2 PRO 76 HG2 PRO 76 -4.370 0.673 -26.874 491 HG3 PRO 76 HG3 PRO 76 -3.583 -0.650 -25.999 492 HD2 PRO 76 HD2 PRO 76 -5.498 1.385 -25.017 493 HD3 PRO 76 HD3 PRO 76 -5.168 -0.247 -24.421 494 H ASP 77 H ASP 77 -5.108 2.702 -24.691 495 HA ASP 77 HA ASP 77 -4.972 5.162 -25.925 496 HB2 ASP 77 HB2 ASP 77 -6.970 3.429 -24.956 497 HB3 ASP 77 HB3 ASP 77 -7.278 4.986 -24.198 498 H GLY 78 H GLY 78 -5.472 4.397 -22.505 499 HA2 GLY 78 HA2 GLY 78 -3.704 6.363 -21.632 500 HA3 GLY 78 HA3 GLY 78 -5.320 7.006 -21.502 501 H CYS 79 H CYS 79 -3.518 6.522 -19.333 502 HA CYS 79 HA CYS 79 -4.978 4.403 -17.951 503 HB2 CYS 79 HB2 CYS 79 -2.572 5.686 -16.779 504 HB3 CYS 79 HB3 CYS 79 -3.249 4.120 -16.435 505 H GLU 80 H GLU 80 -5.981 4.811 -16.142 506 HA GLU 80 HA GLU 80 -5.704 7.385 -14.914 507 HB2 GLU 80 HB2 GLU 80 -8.027 7.980 -15.057 508 HB3 GLU 80 HB3 GLU 80 -7.404 7.699 -16.676 509 HG2 GLU 80 HG2 GLU 80 -8.968 6.190 -17.056 510 HG3 GLU 80 HG3 GLU 80 -8.459 5.254 -15.650 511 H GLU 81 H GLU 81 -6.114 7.404 -12.750 512 HA GLU 81 HA GLU 81 -6.051 5.084 -11.325 513 HB2 GLU 81 HB2 GLU 81 -7.005 6.574 -9.427 514 HB3 GLU 81 HB3 GLU 81 -5.452 6.985 -10.128 515 HG2 GLU 81 HG2 GLU 81 -7.195 8.369 -11.701 516 HG3 GLU 81 HG3 GLU 81 -7.916 8.444 -10.112 517 H ASP 82 H ASP 82 -7.469 3.523 -11.282 518 HA ASP 82 HA ASP 82 -10.232 4.213 -11.646 519 HB2 ASP 82 HB2 ASP 82 -10.655 1.811 -12.158 520 HB3 ASP 82 HB3 ASP 82 -9.557 2.612 -13.272 521 HA PRO 83 HA PRO 83 -10.558 3.762 -7.178 522 HB2 PRO 83 HB2 PRO 83 -13.321 4.537 -8.012 523 HB3 PRO 83 HB3 PRO 83 -12.342 5.206 -6.707 524 HG2 PRO 83 HG2 PRO 83 -12.618 6.594 -8.904 525 HG3 PRO 83 HG3 PRO 83 -11.009 6.424 -8.187 526 HD2 PRO 83 HD2 PRO 83 -12.185 4.923 -10.495 527 HD3 PRO 83 HD3 PRO 83 -10.589 5.670 -10.358 528 H ALA 84 H ALA 84 -11.982 2.386 -9.823 529 HA ALA 84 HA ALA 84 -13.718 0.491 -8.728 530 HB1 ALA 84 HB1 ALA 84 -14.005 0.969 -11.002 531 HB2 ALA 84 HB2 ALA 84 -13.107 -0.558 -11.058 532 HB3 ALA 84 HB3 ALA 84 -12.261 0.978 -11.274 533 H CYS 85 H CYS 85 -10.424 0.930 -8.961 534 HA CYS 85 HA CYS 85 -9.919 -1.794 -8.209 535 HB2 CYS 85 HB2 CYS 85 -8.816 -0.508 -10.382 536 HB3 CYS 85 HB3 CYS 85 -7.536 -0.652 -9.177 537 H ASP 86 H ASP 86 -8.963 1.565 -7.140 538 HA ASP 86 HA ASP 86 -8.284 0.548 -4.567 539 HB2 ASP 86 HB2 ASP 86 -6.583 -0.558 -6.155 540 HB3 ASP 86 HB3 ASP 86 -5.799 1.015 -6.114 541 HA PRO 87 HA PRO 87 -5.920 4.594 -4.555 542 HB2 PRO 87 HB2 PRO 87 -5.882 6.059 -6.929 543 HB3 PRO 87 HB3 PRO 87 -4.665 4.927 -6.369 544 HG2 PRO 87 HG2 PRO 87 -6.247 4.576 -8.605 545 HG3 PRO 87 HG3 PRO 87 -5.358 3.328 -7.741 546 HD2 PRO 87 HD2 PRO 87 -8.233 4.084 -7.461 547 HD3 PRO 87 HD3 PRO 87 -7.519 2.475 -7.597 548 H GLU 88 H GLU 88 -7.915 5.752 -7.105 549 HA GLU 88 HA GLU 88 -8.844 7.988 -5.576 550 HB2 GLU 88 HB2 GLU 88 -8.442 7.740 -8.185 551 HB3 GLU 88 HB3 GLU 88 -10.036 7.033 -8.150 552 HG2 GLU 88 HG2 GLU 88 -10.816 9.146 -6.992 553 HG3 GLU 88 HG3 GLU 88 -9.259 9.830 -7.451 554 H ALA 89 H ALA 89 -9.276 4.960 -5.573 555 HA ALA 89 HA ALA 89 -11.891 4.206 -5.799 556 HB1 ALA 89 HB1 ALA 89 -9.348 3.069 -5.053 557 HB2 ALA 89 HB2 ALA 89 -10.587 2.456 -6.108 558 HB3 ALA 89 HB3 ALA 89 -10.737 2.236 -4.379 559 H ALA 90 H ALA 90 -12.550 2.633 -4.330 560 HA ALA 90 HA ALA 90 -13.585 3.611 -1.815 561 HB1 ALA 90 HB1 ALA 90 -15.273 1.805 -2.293 562 HB2 ALA 90 HB2 ALA 90 -14.438 1.517 -3.823 563 HB3 ALA 90 HB3 ALA 90 -15.243 3.069 -3.526 564 H PHE 91 H PHE 91 -14.288 0.891 -1.042 565 HA PHE 91 HA PHE 91 -11.694 -0.064 -0.154 566 HB2 PHE 91 HB2 PHE 91 -13.905 -0.198 1.199 567 HB3 PHE 91 HB3 PHE 91 -14.317 -1.545 0.149 568 HD1 PHE 91 HD1 PHE 91 -11.619 -0.348 2.418 569 HD2 PHE 91 HD2 PHE 91 -13.641 -3.682 0.713 570 HE1 PHE 91 HE1 PHE 91 -10.336 -1.865 3.871 571 HE2 PHE 91 HE2 PHE 91 -12.363 -5.204 2.161 572 HZ PHE 91 HZ PHE 91 -10.709 -4.296 3.745 573 H SER 92 H SER 92 -11.481 0.074 -2.663 574 HA SER 92 HA SER 92 -12.171 -2.446 -3.955 575 HB2 SER 92 HB2 SER 92 -12.896 -0.663 -5.303 576 HB3 SER 92 HB3 SER 92 -11.451 0.308 -4.992 577 HG SER 92 HG SER 92 -11.880 -1.285 -7.008 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 -5.104 -15.587 -20.532 2 H2 ALA 1 H2 ALA 1 -6.554 -16.218 -19.866 3 H3 ALA 1 H3 ALA 1 -5.150 -16.075 -18.890 4 HA ALA 1 HA ALA 1 -6.009 -13.652 -20.141 5 HB1 ALA 1 HB1 ALA 1 -7.627 -14.401 -17.781 6 HB2 ALA 1 HB2 ALA 1 -8.083 -15.113 -19.329 7 HB3 ALA 1 HB3 ALA 1 -8.025 -13.359 -19.147 8 H VAL 2 H VAL 2 -4.916 -15.613 -17.481 9 HA VAL 2 HA VAL 2 -4.014 -13.235 -16.020 10 HB VAL 2 HB VAL 2 -3.279 -15.667 -14.656 11 HG11 VAL 2 HG11 VAL 2 -4.260 -14.629 -12.824 12 HG12 VAL 2 HG12 VAL 2 -5.447 -13.776 -13.813 13 HG13 VAL 2 HG13 VAL 2 -3.754 -13.277 -13.836 14 HG21 VAL 2 HG21 VAL 2 -5.059 -17.016 -14.680 15 HG22 VAL 2 HG22 VAL 2 -5.574 -16.142 -16.123 16 HG23 VAL 2 HG23 VAL 2 -6.187 -15.667 -14.541 17 H LEU 3 H LEU 3 -1.812 -14.136 -14.699 18 HA LEU 3 HA LEU 3 0.220 -13.766 -16.484 19 HB2 LEU 3 HB2 LEU 3 -0.081 -14.401 -13.626 20 HB3 LEU 3 HB3 LEU 3 1.417 -14.991 -14.372 21 HG LEU 3 HG LEU 3 2.155 -12.946 -13.671 22 HD11 LEU 3 HD11 LEU 3 1.892 -11.252 -15.502 23 HD12 LEU 3 HD12 LEU 3 0.754 -12.387 -16.243 24 HD13 LEU 3 HD13 LEU 3 2.449 -12.854 -16.010 25 HD21 LEU 3 HD21 LEU 3 -0.634 -11.868 -14.060 26 HD22 LEU 3 HD22 LEU 3 0.739 -10.944 -13.449 27 HD23 LEU 3 HD23 LEU 3 0.116 -12.312 -12.527 28 H ASP 4 H ASP 4 1.910 -14.988 -16.974 29 HA ASP 4 HA ASP 4 1.406 -17.558 -17.848 30 HB2 ASP 4 HB2 ASP 4 3.161 -15.911 -18.711 31 HB3 ASP 4 HB3 ASP 4 4.163 -16.469 -17.377 32 H LEU 5 H LEU 5 4.077 -18.687 -16.779 33 HA LEU 5 HA LEU 5 2.997 -19.779 -14.421 34 HB2 LEU 5 HB2 LEU 5 5.074 -21.244 -14.663 35 HB3 LEU 5 HB3 LEU 5 3.808 -21.355 -15.880 36 HG LEU 5 HG LEU 5 5.409 -19.479 -17.013 37 HD11 LEU 5 HD11 LEU 5 7.074 -21.139 -15.214 38 HD12 LEU 5 HD12 LEU 5 7.302 -19.486 -15.782 39 HD13 LEU 5 HD13 LEU 5 7.679 -20.840 -16.845 40 HD21 LEU 5 HD21 LEU 5 4.910 -21.023 -18.544 41 HD22 LEU 5 HD22 LEU 5 4.846 -22.319 -17.349 42 HD23 LEU 5 HD23 LEU 5 6.395 -21.825 -18.034 43 H ASP 6 H ASP 6 6.314 -19.720 -14.499 44 HA ASP 6 HA ASP 6 6.509 -18.141 -12.147 45 HB2 ASP 6 HB2 ASP 6 8.153 -20.085 -13.538 46 HB3 ASP 6 HB3 ASP 6 9.076 -18.775 -12.842 47 H VAL 7 H VAL 7 6.736 -17.743 -15.444 48 HA VAL 7 HA VAL 7 8.598 -15.626 -15.517 49 HB VAL 7 HB VAL 7 7.880 -15.400 -17.908 50 HG11 VAL 7 HG11 VAL 7 9.732 -16.679 -17.912 51 HG12 VAL 7 HG12 VAL 7 8.607 -17.979 -18.302 52 HG13 VAL 7 HG13 VAL 7 9.135 -17.738 -16.636 53 HG21 VAL 7 HG21 VAL 7 5.580 -16.438 -17.302 54 HG22 VAL 7 HG22 VAL 7 6.406 -17.981 -17.526 55 HG23 VAL 7 HG23 VAL 7 6.318 -16.826 -18.855 56 H ARG 8 H ARG 8 6.207 -15.223 -13.831 57 HA ARG 8 HA ARG 8 4.457 -13.441 -15.044 58 HB2 ARG 8 HB2 ARG 8 5.183 -14.238 -12.258 59 HB3 ARG 8 HB3 ARG 8 4.173 -12.839 -12.505 60 HG2 ARG 8 HG2 ARG 8 2.490 -14.138 -13.573 61 HG3 ARG 8 HG3 ARG 8 3.545 -15.551 -13.607 62 HD2 ARG 8 HD2 ARG 8 3.417 -15.831 -11.282 63 HD3 ARG 8 HD3 ARG 8 2.763 -14.216 -11.037 64 HE ARG 8 HE ARG 8 0.661 -14.976 -11.802 65 HH11 ARG 8 HH11 ARG 8 3.038 -17.529 -11.613 66 HH12 ARG 8 HH12 ARG 8 1.861 -18.798 -11.652 67 HH21 ARG 8 HH21 ARG 8 -0.886 -16.644 -11.855 68 HH22 ARG 8 HH22 ARG 8 -0.367 -18.296 -11.791 69 H THR 9 H THR 9 4.622 -11.191 -15.236 70 HA THR 9 HA THR 9 5.713 -9.304 -15.622 71 HB THR 9 HB THR 9 5.484 -8.113 -13.844 72 HG1 THR 9 HG1 THR 9 6.871 -8.080 -12.163 73 HG21 THR 9 HG21 THR 9 4.311 -8.919 -12.094 74 HG22 THR 9 HG22 THR 9 5.267 -10.401 -12.000 75 HG23 THR 9 HG23 THR 9 4.104 -10.177 -13.311 76 H CYS 10 H CYS 10 7.233 -10.434 -17.018 77 HA CYS 10 HA CYS 10 9.835 -11.097 -16.013 78 HB2 CYS 10 HB2 CYS 10 8.581 -11.052 -18.739 79 HB3 CYS 10 HB3 CYS 10 10.315 -11.297 -18.554 80 H LEU 11 H LEU 11 9.223 -8.990 -18.811 81 HA LEU 11 HA LEU 11 11.584 -7.470 -18.237 82 HB2 LEU 11 HB2 LEU 11 10.099 -7.980 -20.491 83 HB3 LEU 11 HB3 LEU 11 9.690 -6.308 -20.156 84 HG LEU 11 HG LEU 11 12.078 -5.716 -20.186 85 HD11 LEU 11 HD11 LEU 11 13.786 -7.201 -20.477 86 HD12 LEU 11 HD12 LEU 11 12.775 -8.370 -21.328 87 HD13 LEU 11 HD13 LEU 11 12.658 -8.215 -19.575 88 HD21 LEU 11 HD21 LEU 11 10.880 -5.445 -22.232 89 HD22 LEU 11 HD22 LEU 11 11.015 -7.162 -22.607 90 HD23 LEU 11 HD23 LEU 11 12.453 -6.140 -22.622 91 HA PRO 12 HA PRO 12 9.200 -4.800 -15.448 92 HB2 PRO 12 HB2 PRO 12 11.765 -3.607 -14.772 93 HB3 PRO 12 HB3 PRO 12 10.641 -4.499 -13.745 94 HG2 PRO 12 HG2 PRO 12 13.081 -5.432 -14.554 95 HG3 PRO 12 HG3 PRO 12 11.727 -6.447 -14.052 96 HD2 PRO 12 HD2 PRO 12 12.765 -5.888 -16.775 97 HD3 PRO 12 HD3 PRO 12 11.942 -7.331 -16.159 98 H CYS 13 H CYS 13 9.428 -2.378 -14.987 99 HA CYS 13 HA CYS 13 10.325 -0.852 -17.231 100 HB2 CYS 13 HB2 CYS 13 7.600 -1.464 -16.470 101 HB3 CYS 13 HB3 CYS 13 7.899 0.253 -16.488 102 H GLY 14 H GLY 14 9.143 1.517 -16.377 103 HA2 GLY 14 HA2 GLY 14 9.645 3.334 -14.992 104 HA3 GLY 14 HA3 GLY 14 9.366 2.173 -13.726 105 HA PRO 15 HA PRO 15 13.708 3.408 -13.178 106 HB2 PRO 15 HB2 PRO 15 13.607 3.895 -10.580 107 HB3 PRO 15 HB3 PRO 15 12.742 4.956 -11.712 108 HG2 PRO 15 HG2 PRO 15 11.634 2.662 -10.134 109 HG3 PRO 15 HG3 PRO 15 11.058 4.342 -10.192 110 HD2 PRO 15 HD2 PRO 15 10.001 2.408 -11.760 111 HD3 PRO 15 HD3 PRO 15 10.144 4.088 -12.298 112 H GLY 16 H GLY 16 14.303 1.209 -13.770 113 HA2 GLY 16 HA2 GLY 16 15.784 -0.496 -12.984 114 HA3 GLY 16 HA3 GLY 16 15.008 -0.397 -11.410 115 H GLY 17 H GLY 17 12.612 -1.022 -11.488 116 HA2 GLY 17 HA2 GLY 17 11.599 -2.673 -13.439 117 HA3 GLY 17 HA3 GLY 17 12.343 -3.679 -12.229 118 H LYS 18 H LYS 18 10.872 -0.663 -11.700 119 HA LYS 18 HA LYS 18 9.252 -1.414 -9.595 120 HB2 LYS 18 HB2 LYS 18 9.883 0.925 -11.165 121 HB3 LYS 18 HB3 LYS 18 8.243 0.906 -10.567 122 HG2 LYS 18 HG2 LYS 18 10.097 2.030 -9.236 123 HG3 LYS 18 HG3 LYS 18 8.850 1.083 -8.417 124 HD2 LYS 18 HD2 LYS 18 10.330 -0.802 -8.379 125 HD3 LYS 18 HD3 LYS 18 11.571 0.093 -9.201 126 HE2 LYS 18 HE2 LYS 18 12.343 0.500 -7.121 127 HE3 LYS 18 HE3 LYS 18 11.073 1.723 -7.100 128 HZ1 LYS 18 HZ1 LYS 18 11.096 -0.941 -5.847 129 HZ2 LYS 18 HZ2 LYS 18 9.625 -0.197 -6.226 130 HZ3 LYS 18 HZ3 LYS 18 10.703 0.555 -5.160 131 H GLY 19 H GLY 19 8.795 -1.284 -12.921 132 HA2 GLY 19 HA2 GLY 19 6.151 -2.310 -12.694 133 HA3 GLY 19 HA3 GLY 19 6.431 -0.972 -13.771 134 H ARG 20 H ARG 20 5.823 -2.135 -15.470 135 HA ARG 20 HA ARG 20 7.898 -3.595 -16.787 136 HB2 ARG 20 HB2 ARG 20 6.731 -5.663 -17.123 137 HB3 ARG 20 HB3 ARG 20 6.801 -5.335 -15.393 138 HG2 ARG 20 HG2 ARG 20 4.594 -5.235 -15.210 139 HG3 ARG 20 HG3 ARG 20 4.458 -4.237 -16.667 140 HD2 ARG 20 HD2 ARG 20 3.467 -6.073 -17.534 141 HD3 ARG 20 HD3 ARG 20 5.130 -6.617 -17.750 142 HE ARG 20 HE ARG 20 4.733 -8.251 -16.216 143 HH11 ARG 20 HH11 ARG 20 2.374 -5.725 -15.730 144 HH12 ARG 20 HH12 ARG 20 1.500 -6.602 -14.519 145 HH21 ARG 20 HH21 ARG 20 3.584 -9.402 -14.624 146 HH22 ARG 20 HH22 ARG 20 2.187 -8.687 -13.891 147 H CYS 21 H CYS 21 6.891 -4.463 -18.984 148 HA CYS 21 HA CYS 21 5.460 -2.201 -20.150 149 HB2 CYS 21 HB2 CYS 21 7.481 -4.080 -21.037 150 HB3 CYS 21 HB3 CYS 21 6.242 -3.722 -22.217 151 H PHE 22 H PHE 22 3.298 -2.454 -20.829 152 HA PHE 22 HA PHE 22 2.339 -5.198 -20.671 153 HB2 PHE 22 HB2 PHE 22 1.046 -2.449 -20.557 154 HB3 PHE 22 HB3 PHE 22 0.095 -3.908 -20.772 155 HD1 PHE 22 HD1 PHE 22 3.153 -3.423 -18.740 156 HD2 PHE 22 HD2 PHE 22 -1.053 -4.139 -18.734 157 HE1 PHE 22 HE1 PHE 22 3.207 -3.747 -16.305 158 HE2 PHE 22 HE2 PHE 22 -0.997 -4.477 -16.298 159 HZ PHE 22 HZ PHE 22 1.139 -4.288 -15.081 160 H GLY 23 H GLY 23 3.580 -3.387 -23.056 161 HA2 GLY 23 HA2 GLY 23 3.248 -4.878 -25.164 162 HA3 GLY 23 HA3 GLY 23 1.592 -4.342 -25.025 163 HA PRO 24 HA PRO 24 2.888 -0.947 -27.524 164 HB2 PRO 24 HB2 PRO 24 0.841 0.705 -27.292 165 HB3 PRO 24 HB3 PRO 24 0.573 -0.976 -27.771 166 HG2 PRO 24 HG2 PRO 24 0.059 0.350 -25.160 167 HG3 PRO 24 HG3 PRO 24 -0.823 -0.968 -25.958 168 HD2 PRO 24 HD2 PRO 24 1.189 -1.161 -23.937 169 HD3 PRO 24 HD3 PRO 24 0.392 -2.492 -24.801 170 H SER 25 H SER 25 4.859 -0.228 -26.399 171 HA SER 25 HA SER 25 6.185 1.344 -25.366 172 HB2 SER 25 HB2 SER 25 4.869 2.639 -27.243 173 HB3 SER 25 HB3 SER 25 4.039 3.388 -25.869 174 HG SER 25 HG SER 25 6.039 4.431 -26.727 175 H ILE 26 H ILE 26 3.918 0.017 -23.844 176 HA ILE 26 HA ILE 26 3.423 2.075 -21.849 177 HB ILE 26 HB ILE 26 1.663 0.448 -23.017 178 HG12 ILE 26 HG12 ILE 26 1.176 1.000 -20.148 179 HG13 ILE 26 HG13 ILE 26 1.560 2.374 -21.201 180 HG21 ILE 26 HG21 ILE 26 0.937 -1.279 -21.417 181 HG22 ILE 26 HG22 ILE 26 2.390 -0.894 -20.437 182 HG23 ILE 26 HG23 ILE 26 2.568 -1.594 -22.054 183 HD11 ILE 26 HD11 ILE 26 -0.929 1.100 -20.863 184 HD12 ILE 26 HD12 ILE 26 -0.352 0.640 -22.473 185 HD13 ILE 26 HD13 ILE 26 -0.507 2.344 -22.039 186 H CYS 27 H CYS 27 3.528 1.677 -19.700 187 HA CYS 27 HA CYS 27 5.242 -0.408 -18.661 188 HB2 CYS 27 HB2 CYS 27 5.610 2.552 -18.744 189 HB3 CYS 27 HB3 CYS 27 6.085 1.707 -17.307 190 H CYS 28 H CYS 28 4.450 -1.066 -16.677 191 HA CYS 28 HA CYS 28 2.671 0.692 -15.201 192 HB2 CYS 28 HB2 CYS 28 1.585 -1.298 -16.655 193 HB3 CYS 28 HB3 CYS 28 1.981 -2.199 -15.197 194 H GLY 29 H GLY 29 3.583 0.954 -13.276 195 HA2 GLY 29 HA2 GLY 29 5.213 -1.161 -12.236 196 HA3 GLY 29 HA3 GLY 29 5.399 0.516 -11.868 197 H ASP 30 H ASP 30 5.143 -1.377 -9.778 198 HA ASP 30 HA ASP 30 2.480 -1.563 -8.913 199 HB2 ASP 30 HB2 ASP 30 5.022 -2.504 -8.010 200 HB3 ASP 30 HB3 ASP 30 4.217 -1.704 -6.665 201 H GLU 31 H GLU 31 5.037 0.021 -7.085 202 HA GLU 31 HA GLU 31 3.350 2.050 -6.085 203 HB2 GLU 31 HB2 GLU 31 5.420 2.927 -5.094 204 HB3 GLU 31 HB3 GLU 31 5.307 1.187 -4.853 205 HG2 GLU 31 HG2 GLU 31 7.210 0.828 -5.931 206 HG3 GLU 31 HG3 GLU 31 6.687 1.784 -7.325 207 H LEU 32 H LEU 32 4.467 1.518 -9.025 208 HA LEU 32 HA LEU 32 5.431 4.087 -9.776 209 HB2 LEU 32 HB2 LEU 32 5.952 1.493 -10.254 210 HB3 LEU 32 HB3 LEU 32 5.174 1.982 -11.695 211 HG LEU 32 HG LEU 32 7.772 2.694 -10.641 212 HD11 LEU 32 HD11 LEU 32 6.916 1.029 -12.495 213 HD12 LEU 32 HD12 LEU 32 8.494 1.841 -12.577 214 HD13 LEU 32 HD13 LEU 32 7.124 2.483 -13.486 215 HD21 LEU 32 HD21 LEU 32 6.084 4.757 -11.402 216 HD22 LEU 32 HD22 LEU 32 7.050 4.424 -12.843 217 HD23 LEU 32 HD23 LEU 32 7.845 4.824 -11.321 218 H GLY 33 H GLY 33 2.578 2.263 -10.114 219 HA2 GLY 33 HA2 GLY 33 0.498 2.899 -10.960 220 HA3 GLY 33 HA3 GLY 33 1.281 4.360 -11.495 221 H CYS 34 H CYS 34 0.114 4.151 -13.482 222 HA CYS 34 HA CYS 34 1.389 2.205 -15.289 223 HB2 CYS 34 HB2 CYS 34 -1.204 2.005 -14.431 224 HB3 CYS 34 HB3 CYS 34 -1.377 2.817 -15.983 225 H PHE 35 H PHE 35 2.501 3.292 -16.761 226 HA PHE 35 HA PHE 35 1.408 5.813 -17.849 227 HB2 PHE 35 HB2 PHE 35 4.225 5.083 -18.421 228 HB3 PHE 35 HB3 PHE 35 3.532 6.656 -18.081 229 HD1 PHE 35 HD1 PHE 35 4.258 3.431 -16.366 230 HD2 PHE 35 HD2 PHE 35 4.112 7.678 -16.106 231 HE1 PHE 35 HE1 PHE 35 5.208 3.317 -14.106 232 HE2 PHE 35 HE2 PHE 35 5.068 7.569 -13.839 233 HZ PHE 35 HZ PHE 35 5.618 5.383 -12.843 234 H VAL 36 H VAL 36 1.724 6.226 -20.132 235 HA VAL 36 HA VAL 36 2.195 3.825 -21.760 236 HB VAL 36 HB VAL 36 0.141 5.820 -22.660 237 HG11 VAL 36 HG11 VAL 36 0.353 2.875 -23.257 238 HG12 VAL 36 HG12 VAL 36 1.271 4.089 -24.158 239 HG13 VAL 36 HG13 VAL 36 -0.499 4.128 -24.165 240 HG21 VAL 36 HG21 VAL 36 -0.361 4.673 -20.351 241 HG22 VAL 36 HG22 VAL 36 -0.728 3.279 -21.365 242 HG23 VAL 36 HG23 VAL 36 -1.608 4.790 -21.591 243 H GLY 37 H GLY 37 4.134 4.383 -22.469 244 HA2 GLY 37 HA2 GLY 37 5.595 5.372 -23.983 245 HA3 GLY 37 HA3 GLY 37 4.298 6.450 -24.476 246 H THR 38 H THR 38 4.212 6.868 -21.310 247 HA THR 38 HA THR 38 5.341 9.418 -21.276 248 HB THR 38 HB THR 38 5.030 7.618 -18.867 249 HG1 THR 38 HG1 THR 38 2.921 7.945 -18.932 250 HG21 THR 38 HG21 THR 38 4.343 10.510 -18.903 251 HG22 THR 38 HG22 THR 38 6.029 10.023 -18.738 252 HG23 THR 38 HG23 THR 38 4.836 9.476 -17.561 253 H ALA 39 H ALA 39 7.061 9.937 -19.407 254 HA ALA 39 HA ALA 39 9.576 9.114 -20.348 255 HB1 ALA 39 HB1 ALA 39 9.601 9.911 -17.543 256 HB2 ALA 39 HB2 ALA 39 8.658 11.007 -18.553 257 HB3 ALA 39 HB3 ALA 39 10.345 10.681 -18.944 258 H GLU 40 H GLU 40 7.917 8.170 -17.341 259 HA GLU 40 HA GLU 40 9.752 6.106 -16.712 260 HB2 GLU 40 HB2 GLU 40 7.349 7.230 -15.584 261 HB3 GLU 40 HB3 GLU 40 7.389 5.483 -15.457 262 HG2 GLU 40 HG2 GLU 40 8.507 5.858 -13.564 263 HG3 GLU 40 HG3 GLU 40 9.880 6.063 -14.654 264 H ALA 41 H ALA 41 8.036 6.229 -19.357 265 HA ALA 41 HA ALA 41 7.155 3.408 -19.292 266 HB1 ALA 41 HB1 ALA 41 5.400 3.980 -20.732 267 HB2 ALA 41 HB2 ALA 41 6.118 5.548 -21.094 268 HB3 ALA 41 HB3 ALA 41 5.433 5.240 -19.496 269 H LEU 42 H LEU 42 9.468 5.426 -20.659 270 HA LEU 42 HA LEU 42 9.543 4.468 -23.285 271 HB2 LEU 42 HB2 LEU 42 11.951 5.316 -23.114 272 HB3 LEU 42 HB3 LEU 42 10.659 6.476 -22.900 273 HG LEU 42 HG LEU 42 11.243 6.969 -20.780 274 HD11 LEU 42 HD11 LEU 42 12.301 4.210 -20.210 275 HD12 LEU 42 HD12 LEU 42 10.580 4.637 -20.054 276 HD13 LEU 42 HD13 LEU 42 11.803 5.460 -19.060 277 HD21 LEU 42 HD21 LEU 42 13.314 7.221 -22.051 278 HD22 LEU 42 HD22 LEU 42 13.775 5.572 -21.625 279 HD23 LEU 42 HD23 LEU 42 13.632 6.799 -20.368 280 H ARG 43 H ARG 43 10.115 3.052 -20.347 281 HA ARG 43 HA ARG 43 12.317 1.476 -20.524 282 HB2 ARG 43 HB2 ARG 43 9.993 1.578 -18.943 283 HB3 ARG 43 HB3 ARG 43 10.254 -0.076 -19.449 284 HG2 ARG 43 HG2 ARG 43 11.326 0.667 -17.251 285 HG3 ARG 43 HG3 ARG 43 12.340 -0.203 -18.402 286 HD2 ARG 43 HD2 ARG 43 13.342 1.855 -19.152 287 HD3 ARG 43 HD3 ARG 43 12.236 2.807 -18.163 288 HE ARG 43 HE ARG 43 13.518 1.223 -16.365 289 HH11 ARG 43 HH11 ARG 43 14.612 3.410 -18.858 290 HH12 ARG 43 HH12 ARG 43 16.062 3.844 -18.016 291 HH21 ARG 43 HH21 ARG 43 15.424 1.795 -15.256 292 HH22 ARG 43 HH22 ARG 43 16.523 2.927 -15.973 293 H CYS 44 H CYS 44 9.588 1.259 -22.521 294 HA CYS 44 HA CYS 44 9.743 -1.504 -23.047 295 HB2 CYS 44 HB2 CYS 44 8.142 0.646 -23.944 296 HB3 CYS 44 HB3 CYS 44 8.607 -0.366 -25.310 297 H GLN 45 H GLN 45 11.748 1.017 -23.905 298 HA GLN 45 HA GLN 45 12.669 0.131 -26.382 299 HB2 GLN 45 HB2 GLN 45 13.430 2.099 -24.432 300 HB3 GLN 45 HB3 GLN 45 14.856 1.254 -25.011 301 HG2 GLN 45 HG2 GLN 45 14.857 2.634 -26.739 302 HG3 GLN 45 HG3 GLN 45 13.405 1.818 -27.306 303 HE21 GLN 45 HE21 GLN 45 14.146 4.155 -24.737 304 HE22 GLN 45 HE22 GLN 45 12.908 5.277 -25.175 305 H GLU 46 H GLU 46 12.987 -0.830 -23.185 306 HA GLU 46 HA GLU 46 15.304 -2.479 -23.304 307 HB2 GLU 46 HB2 GLU 46 13.058 -1.921 -21.421 308 HB3 GLU 46 HB3 GLU 46 14.049 -3.327 -21.150 309 HG2 GLU 46 HG2 GLU 46 16.046 -1.866 -21.128 310 HG3 GLU 46 HG3 GLU 46 14.965 -0.478 -21.301 311 H GLU 47 H GLU 47 12.069 -2.732 -24.354 312 HA GLU 47 HA GLU 47 11.783 -5.587 -24.043 313 HB2 GLU 47 HB2 GLU 47 10.110 -3.416 -24.745 314 HB3 GLU 47 HB3 GLU 47 10.091 -4.524 -26.111 315 HG2 GLU 47 HG2 GLU 47 9.798 -5.802 -23.488 316 HG3 GLU 47 HG3 GLU 47 8.487 -4.712 -23.938 317 H ASN 48 H ASN 48 13.855 -3.949 -25.917 318 HA ASN 48 HA ASN 48 13.646 -5.776 -28.126 319 HB2 ASN 48 HB2 ASN 48 13.770 -3.027 -28.204 320 HB3 ASN 48 HB3 ASN 48 15.423 -3.517 -28.564 321 HD21 ASN 48 HD21 ASN 48 13.532 -2.232 -30.305 322 HD22 ASN 48 HD22 ASN 48 13.292 -3.288 -31.652 323 H TYR 49 H TYR 49 15.117 -5.808 -25.380 324 HA TYR 49 HA TYR 49 17.839 -6.277 -26.352 325 HB2 TYR 49 HB2 TYR 49 16.676 -5.932 -23.590 326 HB3 TYR 49 HB3 TYR 49 18.332 -6.493 -23.855 327 HD1 TYR 49 HD1 TYR 49 19.354 -4.862 -25.973 328 HD2 TYR 49 HD2 TYR 49 16.719 -3.759 -22.819 329 HE1 TYR 49 HE1 TYR 49 20.114 -2.531 -26.161 330 HE2 TYR 49 HE2 TYR 49 17.472 -1.424 -22.999 331 HH TYR 49 HH TYR 49 19.832 -0.319 -23.952 332 H LEU 50 H LEU 50 15.638 -7.881 -24.035 333 HA LEU 50 HA LEU 50 16.451 -10.459 -25.184 334 HB2 LEU 50 HB2 LEU 50 17.561 -9.713 -22.915 335 HB3 LEU 50 HB3 LEU 50 16.029 -10.231 -22.238 336 HG LEU 50 HG LEU 50 17.863 -11.975 -23.886 337 HD11 LEU 50 HD11 LEU 50 17.327 -12.149 -20.933 338 HD12 LEU 50 HD12 LEU 50 18.705 -11.281 -21.609 339 HD13 LEU 50 HD13 LEU 50 18.539 -13.016 -21.877 340 HD21 LEU 50 HD21 LEU 50 15.124 -12.221 -23.288 341 HD22 LEU 50 HD22 LEU 50 15.974 -13.374 -22.260 342 HD23 LEU 50 HD23 LEU 50 16.191 -13.425 -24.009 343 HA PRO 51 HA PRO 51 11.943 -10.619 -25.638 344 HB2 PRO 51 HB2 PRO 51 12.857 -13.448 -26.057 345 HB3 PRO 51 HB3 PRO 51 11.615 -12.531 -26.925 346 HG2 PRO 51 HG2 PRO 51 13.974 -12.772 -28.034 347 HG3 PRO 51 HG3 PRO 51 13.197 -11.173 -27.991 348 HD2 PRO 51 HD2 PRO 51 15.428 -12.233 -26.299 349 HD3 PRO 51 HD3 PRO 51 15.214 -10.613 -26.998 350 H SER 52 H SER 52 10.681 -10.647 -23.883 351 HA SER 52 HA SER 52 10.541 -13.004 -22.222 352 HB2 SER 52 HB2 SER 52 10.714 -11.320 -20.153 353 HB3 SER 52 HB3 SER 52 12.130 -12.138 -20.811 354 HG SER 52 HG SER 52 12.136 -10.115 -22.246 355 HA PRO 53 HA PRO 53 6.669 -10.337 -22.633 356 HB2 PRO 53 HB2 PRO 53 5.588 -12.079 -24.665 357 HB3 PRO 53 HB3 PRO 53 6.011 -10.374 -24.800 358 HG2 PRO 53 HG2 PRO 53 7.334 -12.393 -26.099 359 HG3 PRO 53 HG3 PRO 53 8.048 -10.817 -25.717 360 HD2 PRO 53 HD2 PRO 53 8.354 -13.431 -24.297 361 HD3 PRO 53 HD3 PRO 53 9.566 -12.175 -24.620 362 H CYS 54 H CYS 54 7.133 -12.136 -20.637 363 HA CYS 54 HA CYS 54 5.069 -14.092 -20.715 364 HB2 CYS 54 HB2 CYS 54 6.483 -14.274 -18.289 365 HB3 CYS 54 HB3 CYS 54 6.577 -15.341 -19.665 366 H GLN 55 H GLN 55 3.125 -13.334 -20.043 367 HA GLN 55 HA GLN 55 2.394 -12.635 -17.543 368 HB2 GLN 55 HB2 GLN 55 2.349 -10.225 -17.345 369 HB3 GLN 55 HB3 GLN 55 4.002 -10.720 -17.684 370 HG2 GLN 55 HG2 GLN 55 2.133 -9.798 -19.845 371 HG3 GLN 55 HG3 GLN 55 3.114 -8.677 -18.904 372 HE21 GLN 55 HE21 GLN 55 5.495 -9.608 -18.709 373 HE22 GLN 55 HE22 GLN 55 6.209 -10.005 -20.232 374 H SER 56 H SER 56 0.596 -10.423 -17.993 375 HA SER 56 HA SER 56 -0.881 -10.570 -20.316 376 HB2 SER 56 HB2 SER 56 -2.547 -12.139 -19.989 377 HB3 SER 56 HB3 SER 56 -1.188 -12.944 -19.210 378 HG SER 56 HG SER 56 -3.191 -12.870 -17.974 379 H GLY 57 H GLY 57 -3.465 -10.138 -19.502 380 HA2 GLY 57 HA2 GLY 57 -3.185 -7.581 -18.130 381 HA3 GLY 57 HA3 GLY 57 -4.614 -8.154 -18.978 382 H GLN 58 H GLN 58 -4.563 -6.921 -16.382 383 HA GLN 58 HA GLN 58 -5.424 -9.175 -14.728 384 HB2 GLN 58 HB2 GLN 58 -3.598 -7.024 -14.211 385 HB3 GLN 58 HB3 GLN 58 -4.904 -7.074 -13.044 386 HG2 GLN 58 HG2 GLN 58 -3.831 -9.695 -13.619 387 HG3 GLN 58 HG3 GLN 58 -2.629 -8.591 -12.979 388 HE21 GLN 58 HE21 GLN 58 -2.567 -8.256 -10.852 389 HE22 GLN 58 HE22 GLN 58 -3.763 -8.781 -9.723 390 H LYS 59 H LYS 59 -7.019 -8.784 -13.231 391 HA LYS 59 HA LYS 59 -9.435 -8.466 -13.540 392 HB2 LYS 59 HB2 LYS 59 -9.932 -7.176 -11.509 393 HB3 LYS 59 HB3 LYS 59 -8.657 -8.360 -11.255 394 HG2 LYS 59 HG2 LYS 59 -7.372 -5.978 -12.011 395 HG3 LYS 59 HG3 LYS 59 -8.612 -5.530 -10.837 396 HD2 LYS 59 HD2 LYS 59 -7.533 -7.779 -9.709 397 HD3 LYS 59 HD3 LYS 59 -6.127 -7.032 -10.472 398 HE2 LYS 59 HE2 LYS 59 -5.998 -5.595 -8.785 399 HE3 LYS 59 HE3 LYS 59 -7.589 -4.968 -9.214 400 HZ1 LYS 59 HZ1 LYS 59 -6.899 -7.040 -7.228 401 HZ2 LYS 59 HZ2 LYS 59 -8.460 -6.945 -7.874 402 HZ3 LYS 59 HZ3 LYS 59 -7.818 -5.634 -7.019 403 HA PRO 60 HA PRO 60 -9.454 -4.974 -16.448 404 HB2 PRO 60 HB2 PRO 60 -11.946 -6.353 -17.165 405 HB3 PRO 60 HB3 PRO 60 -10.672 -5.719 -18.212 406 HG2 PRO 60 HG2 PRO 60 -10.928 -8.337 -17.664 407 HG3 PRO 60 HG3 PRO 60 -9.356 -7.568 -17.955 408 HD2 PRO 60 HD2 PRO 60 -10.537 -8.554 -15.426 409 HD3 PRO 60 HD3 PRO 60 -8.842 -8.316 -15.901 410 H CYS 61 H CYS 61 -11.028 -3.422 -17.062 411 HA CYS 61 HA CYS 61 -13.469 -3.110 -15.658 412 HB2 CYS 61 HB2 CYS 61 -12.840 -0.786 -14.745 413 HB3 CYS 61 HB3 CYS 61 -12.364 -2.211 -13.851 414 H GLY 62 H GLY 62 -14.626 -1.090 -16.101 415 HA2 GLY 62 HA2 GLY 62 -14.471 -0.572 -18.866 416 HA3 GLY 62 HA3 GLY 62 -15.810 -0.196 -17.795 417 H SER 63 H SER 63 -12.586 0.835 -16.968 418 HA SER 63 HA SER 63 -13.326 3.507 -17.636 419 HB2 SER 63 HB2 SER 63 -12.786 2.925 -15.213 420 HB3 SER 63 HB3 SER 63 -11.125 2.789 -15.766 421 HG SER 63 HG SER 63 -11.062 4.922 -16.164 422 H GLY 64 H GLY 64 -12.448 1.715 -19.561 423 HA2 GLY 64 HA2 GLY 64 -11.216 2.174 -21.479 424 HA3 GLY 64 HA3 GLY 64 -10.113 3.083 -20.516 425 H GLY 65 H GLY 65 -10.642 0.188 -18.988 426 HA2 GLY 65 HA2 GLY 65 -9.276 -1.783 -20.231 427 HA3 GLY 65 HA3 GLY 65 -8.046 -0.711 -19.702 428 H ARG 66 H ARG 66 -7.110 -2.237 -18.433 429 HA ARG 66 HA ARG 66 -8.661 -3.470 -16.427 430 HB2 ARG 66 HB2 ARG 66 -5.722 -3.789 -16.600 431 HB3 ARG 66 HB3 ARG 66 -6.913 -4.967 -16.091 432 HG2 ARG 66 HG2 ARG 66 -6.399 -4.039 -18.902 433 HG3 ARG 66 HG3 ARG 66 -6.000 -5.614 -18.214 434 HD2 ARG 66 HD2 ARG 66 -8.502 -5.835 -17.737 435 HD3 ARG 66 HD3 ARG 66 -8.702 -4.461 -18.831 436 HE ARG 66 HE ARG 66 -7.269 -6.855 -19.754 437 HH11 ARG 66 HH11 ARG 66 -10.045 -4.741 -19.948 438 HH12 ARG 66 HH12 ARG 66 -10.601 -5.404 -21.448 439 HH21 ARG 66 HH21 ARG 66 -8.000 -7.722 -21.728 440 HH22 ARG 66 HH22 ARG 66 -9.440 -7.096 -22.458 441 H CYS 67 H CYS 67 -7.157 -3.903 -14.267 442 HA CYS 67 HA CYS 67 -7.287 -1.344 -13.038 443 HB2 CYS 67 HB2 CYS 67 -8.176 -3.303 -11.909 444 HB3 CYS 67 HB3 CYS 67 -6.559 -3.971 -11.896 445 H ALA 68 H ALA 68 -5.489 -0.896 -14.773 446 HA ALA 68 HA ALA 68 -2.960 -1.363 -15.047 447 HB1 ALA 68 HB1 ALA 68 -4.386 0.950 -15.236 448 HB2 ALA 68 HB2 ALA 68 -2.677 0.789 -15.598 449 HB3 ALA 68 HB3 ALA 68 -3.176 1.418 -14.034 450 H ALA 69 H ALA 69 -3.214 0.996 -12.254 451 HA ALA 69 HA ALA 69 -1.767 -0.707 -10.485 452 HB1 ALA 69 HB1 ALA 69 -0.401 1.662 -11.748 453 HB2 ALA 69 HB2 ALA 69 0.087 -0.033 -11.875 454 HB3 ALA 69 HB3 ALA 69 0.181 0.801 -10.319 455 H ALA 70 H ALA 70 -1.779 0.142 -8.423 456 HA ALA 70 HA ALA 70 -2.903 1.151 -6.611 457 HB1 ALA 70 HB1 ALA 70 -1.587 2.878 -6.214 458 HB2 ALA 70 HB2 ALA 70 -2.635 3.838 -7.294 459 HB3 ALA 70 HB3 ALA 70 -1.190 2.999 -7.937 460 H GLY 71 H GLY 71 -4.530 0.719 -8.954 461 HA2 GLY 71 HA2 GLY 71 -6.716 1.134 -9.430 462 HA3 GLY 71 HA3 GLY 71 -6.622 2.532 -8.385 463 H ILE 72 H ILE 72 -6.127 1.316 -11.473 464 HA ILE 72 HA ILE 72 -6.518 3.734 -12.713 465 HB ILE 72 HB ILE 72 -3.826 2.431 -13.000 466 HG12 ILE 72 HG12 ILE 72 -5.018 4.984 -12.211 467 HG13 ILE 72 HG13 ILE 72 -3.546 4.219 -11.639 468 HG21 ILE 72 HG21 ILE 72 -3.516 3.261 -15.140 469 HG22 ILE 72 HG22 ILE 72 -4.730 4.523 -14.919 470 HG23 ILE 72 HG23 ILE 72 -5.231 2.858 -15.227 471 HD11 ILE 72 HD11 ILE 72 -3.768 5.410 -14.351 472 HD12 ILE 72 HD12 ILE 72 -2.305 5.068 -13.392 473 HD13 ILE 72 HD13 ILE 72 -3.368 6.407 -12.934 474 H CYS 73 H CYS 73 -7.872 3.239 -14.183 475 HA CYS 73 HA CYS 73 -7.867 0.531 -15.075 476 HB2 CYS 73 HB2 CYS 73 -9.869 1.627 -14.176 477 HB3 CYS 73 HB3 CYS 73 -9.905 2.694 -15.554 478 H CYS 74 H CYS 74 -6.260 0.326 -16.461 479 HA CYS 74 HA CYS 74 -5.978 2.336 -18.573 480 HB2 CYS 74 HB2 CYS 74 -4.283 2.933 -17.166 481 HB3 CYS 74 HB3 CYS 74 -4.046 1.307 -16.585 482 H SER 75 H SER 75 -5.470 1.731 -20.455 483 HA SER 75 HA SER 75 -4.621 -0.982 -21.009 484 HB2 SER 75 HB2 SER 75 -6.594 0.648 -22.632 485 HB3 SER 75 HB3 SER 75 -5.971 -0.928 -23.106 486 HG SER 75 HG SER 75 -7.026 -1.882 -21.430 487 HA PRO 76 HA PRO 76 -1.863 1.285 -23.831 488 HB2 PRO 76 HB2 PRO 76 -2.592 1.018 -26.486 489 HB3 PRO 76 HB3 PRO 76 -1.776 -0.234 -25.552 490 HG2 PRO 76 HG2 PRO 76 -4.416 -0.306 -26.615 491 HG3 PRO 76 HG3 PRO 76 -3.613 -1.533 -25.620 492 HD2 PRO 76 HD2 PRO 76 -5.538 0.573 -24.828 493 HD3 PRO 76 HD3 PRO 76 -5.199 -0.996 -24.073 494 H ASP 77 H ASP 77 -5.182 1.889 -24.688 495 HA ASP 77 HA ASP 77 -5.065 4.217 -26.178 496 HB2 ASP 77 HB2 ASP 77 -7.063 2.603 -25.089 497 HB3 ASP 77 HB3 ASP 77 -7.321 4.171 -24.319 498 H GLY 78 H GLY 78 -5.509 3.825 -22.693 499 HA2 GLY 78 HA2 GLY 78 -3.682 5.823 -22.044 500 HA3 GLY 78 HA3 GLY 78 -5.287 6.486 -21.951 501 H CYS 79 H CYS 79 -3.449 6.147 -19.811 502 HA CYS 79 HA CYS 79 -4.975 4.190 -18.196 503 HB2 CYS 79 HB2 CYS 79 -2.458 5.403 -17.176 504 HB3 CYS 79 HB3 CYS 79 -3.249 3.939 -16.680 505 H GLU 80 H GLU 80 -5.779 4.785 -16.291 506 HA GLU 80 HA GLU 80 -5.395 7.434 -15.321 507 HB2 GLU 80 HB2 GLU 80 -7.711 8.132 -15.481 508 HB3 GLU 80 HB3 GLU 80 -7.080 7.747 -17.074 509 HG2 GLU 80 HG2 GLU 80 -8.518 6.082 -17.406 510 HG3 GLU 80 HG3 GLU 80 -8.335 5.475 -15.760 511 H GLU 81 H GLU 81 -5.896 7.694 -13.142 512 HA GLU 81 HA GLU 81 -6.004 5.454 -11.548 513 HB2 GLU 81 HB2 GLU 81 -6.783 7.140 -9.757 514 HB3 GLU 81 HB3 GLU 81 -5.236 7.399 -10.522 515 HG2 GLU 81 HG2 GLU 81 -5.825 9.287 -11.493 516 HG3 GLU 81 HG3 GLU 81 -7.440 8.704 -11.814 517 H ASP 82 H ASP 82 -7.560 4.072 -11.299 518 HA ASP 82 HA ASP 82 -10.215 4.914 -11.913 519 HB2 ASP 82 HB2 ASP 82 -10.772 2.493 -12.243 520 HB3 ASP 82 HB3 ASP 82 -9.526 3.104 -13.331 521 HA PRO 83 HA PRO 83 -10.974 4.945 -7.500 522 HB2 PRO 83 HB2 PRO 83 -13.667 5.525 -8.612 523 HB3 PRO 83 HB3 PRO 83 -12.789 6.394 -7.343 524 HG2 PRO 83 HG2 PRO 83 -12.955 7.468 -9.733 525 HG3 PRO 83 HG3 PRO 83 -11.386 7.464 -8.903 526 HD2 PRO 83 HD2 PRO 83 -12.377 5.602 -11.036 527 HD3 PRO 83 HD3 PRO 83 -10.808 6.416 -10.922 528 H ALA 84 H ALA 84 -12.226 3.263 -10.058 529 HA ALA 84 HA ALA 84 -13.969 1.467 -8.842 530 HB1 ALA 84 HB1 ALA 84 -13.405 0.193 -11.040 531 HB2 ALA 84 HB2 ALA 84 -12.430 1.629 -11.385 532 HB3 ALA 84 HB3 ALA 84 -14.177 1.780 -11.183 533 H CYS 85 H CYS 85 -10.679 1.835 -9.070 534 HA CYS 85 HA CYS 85 -10.250 -0.760 -7.983 535 HB2 CYS 85 HB2 CYS 85 -9.097 0.165 -10.328 536 HB3 CYS 85 HB3 CYS 85 -7.836 0.106 -9.098 537 H ASP 86 H ASP 86 -9.198 2.664 -7.365 538 HA ASP 86 HA ASP 86 -8.464 1.892 -4.698 539 HB2 ASP 86 HB2 ASP 86 -6.800 0.674 -6.228 540 HB3 ASP 86 HB3 ASP 86 -6.030 2.250 -6.341 541 HA PRO 87 HA PRO 87 -6.156 5.970 -5.100 542 HB2 PRO 87 HB2 PRO 87 -6.150 7.216 -7.574 543 HB3 PRO 87 HB3 PRO 87 -4.912 6.168 -6.930 544 HG2 PRO 87 HG2 PRO 87 -6.482 5.572 -9.111 545 HG3 PRO 87 HG3 PRO 87 -5.556 4.430 -8.119 546 HD2 PRO 87 HD2 PRO 87 -8.462 5.141 -7.924 547 HD3 PRO 87 HD3 PRO 87 -7.713 3.539 -7.895 548 H GLU 88 H GLU 88 -8.152 6.838 -7.702 549 HA GLU 88 HA GLU 88 -9.120 9.200 -6.416 550 HB2 GLU 88 HB2 GLU 88 -8.729 8.718 -8.988 551 HB3 GLU 88 HB3 GLU 88 -10.324 7.979 -8.862 552 HG2 GLU 88 HG2 GLU 88 -11.276 10.090 -8.120 553 HG3 GLU 88 HG3 GLU 88 -9.686 10.846 -8.188 554 H ALA 89 H ALA 89 -9.519 6.203 -6.105 555 HA ALA 89 HA ALA 89 -12.115 5.386 -6.286 556 HB1 ALA 89 HB1 ALA 89 -10.562 3.844 -4.452 557 HB2 ALA 89 HB2 ALA 89 -9.653 4.296 -5.892 558 HB3 ALA 89 HB3 ALA 89 -11.188 3.438 -6.050 559 H ALA 90 H ALA 90 -12.826 4.033 -4.670 560 HA ALA 90 HA ALA 90 -13.916 5.254 -2.327 561 HB1 ALA 90 HB1 ALA 90 -15.522 4.535 -4.013 562 HB2 ALA 90 HB2 ALA 90 -15.593 3.407 -2.657 563 HB3 ALA 90 HB3 ALA 90 -14.693 2.970 -4.128 564 H PHE 91 H PHE 91 -14.674 2.655 -1.256 565 HA PHE 91 HA PHE 91 -12.133 1.776 -0.219 566 HB2 PHE 91 HB2 PHE 91 -14.906 0.629 0.174 567 HB3 PHE 91 HB3 PHE 91 -13.473 0.137 1.070 568 HD1 PHE 91 HD1 PHE 91 -15.333 3.271 0.247 569 HD2 PHE 91 HD2 PHE 91 -13.185 1.032 3.161 570 HE1 PHE 91 HE1 PHE 91 -15.771 5.026 1.913 571 HE2 PHE 91 HE2 PHE 91 -13.621 2.784 4.831 572 HZ PHE 91 HZ PHE 91 -14.915 4.784 4.209 573 H SER 92 H SER 92 -11.838 1.658 -2.707 574 HA SER 92 HA SER 92 -12.530 -0.972 -3.783 575 HB2 SER 92 HB2 SER 92 -13.166 0.731 -5.299 576 HB3 SER 92 HB3 SER 92 -11.680 1.667 -5.070 577 HG SER 92 HG SER 92 -10.566 -0.066 -6.090 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 8.421 -13.463 -22.081 2 H2 ALA 1 H2 ALA 1 8.928 -13.240 -23.701 3 H3 ALA 1 H3 ALA 1 9.693 -14.419 -22.717 4 HA ALA 1 HA ALA 1 6.989 -14.425 -23.851 5 HB1 ALA 1 HB1 ALA 1 7.679 -16.252 -25.069 6 HB2 ALA 1 HB2 ALA 1 8.969 -16.656 -23.937 7 HB3 ALA 1 HB3 ALA 1 9.148 -15.278 -25.023 8 H VAL 2 H VAL 2 7.848 -14.406 -20.893 9 HA VAL 2 HA VAL 2 7.406 -16.948 -19.796 10 HB VAL 2 HB VAL 2 6.591 -14.447 -18.350 11 HG11 VAL 2 HG11 VAL 2 7.967 -15.858 -16.577 12 HG12 VAL 2 HG12 VAL 2 7.496 -17.176 -17.649 13 HG13 VAL 2 HG13 VAL 2 6.261 -16.162 -16.903 14 HG21 VAL 2 HG21 VAL 2 8.674 -13.803 -19.345 15 HG22 VAL 2 HG22 VAL 2 9.412 -15.346 -18.918 16 HG23 VAL 2 HG23 VAL 2 8.978 -14.197 -17.654 17 H LEU 3 H LEU 3 5.542 -17.580 -18.462 18 HA LEU 3 HA LEU 3 3.245 -17.697 -19.926 19 HB2 LEU 3 HB2 LEU 3 2.652 -18.230 -17.173 20 HB3 LEU 3 HB3 LEU 3 2.603 -19.303 -18.513 21 HG LEU 3 HG LEU 3 5.051 -19.650 -18.252 22 HD11 LEU 3 HD11 LEU 3 6.129 -18.281 -16.870 23 HD12 LEU 3 HD12 LEU 3 4.900 -18.447 -15.613 24 HD13 LEU 3 HD13 LEU 3 4.635 -17.339 -16.965 25 HD21 LEU 3 HD21 LEU 3 3.496 -21.248 -17.223 26 HD22 LEU 3 HD22 LEU 3 3.300 -20.181 -15.833 27 HD23 LEU 3 HD23 LEU 3 4.857 -20.949 -16.141 28 H ASP 4 H ASP 4 1.341 -17.601 -17.934 29 HA ASP 4 HA ASP 4 0.766 -14.807 -17.418 30 HB2 ASP 4 HB2 ASP 4 -0.274 -15.546 -19.553 31 HB3 ASP 4 HB3 ASP 4 -1.010 -16.876 -18.649 32 H LEU 5 H LEU 5 0.903 -17.987 -16.539 33 HA LEU 5 HA LEU 5 -1.152 -18.580 -14.931 34 HB2 LEU 5 HB2 LEU 5 1.023 -19.804 -15.769 35 HB3 LEU 5 HB3 LEU 5 1.551 -19.378 -14.170 36 HG LEU 5 HG LEU 5 -0.015 -20.767 -13.132 37 HD11 LEU 5 HD11 LEU 5 -1.718 -21.894 -14.877 38 HD12 LEU 5 HD12 LEU 5 -1.478 -20.317 -15.646 39 HD13 LEU 5 HD13 LEU 5 -2.070 -20.411 -13.982 40 HD21 LEU 5 HD21 LEU 5 1.057 -22.010 -15.645 41 HD22 LEU 5 HD22 LEU 5 0.121 -22.942 -14.477 42 HD23 LEU 5 HD23 LEU 5 1.637 -22.187 -13.989 43 H ASP 6 H ASP 6 -0.021 -19.205 -12.418 44 HA ASP 6 HA ASP 6 -0.406 -16.779 -11.047 45 HB2 ASP 6 HB2 ASP 6 -0.064 -19.578 -10.379 46 HB3 ASP 6 HB3 ASP 6 0.825 -18.546 -9.267 47 H VAL 7 H VAL 7 2.235 -18.353 -12.446 48 HA VAL 7 HA VAL 7 4.246 -16.986 -10.950 49 HB VAL 7 HB VAL 7 5.777 -18.045 -12.735 50 HG11 VAL 7 HG11 VAL 7 5.606 -18.853 -10.457 51 HG12 VAL 7 HG12 VAL 7 5.663 -20.217 -11.574 52 HG13 VAL 7 HG13 VAL 7 4.126 -19.726 -10.858 53 HG21 VAL 7 HG21 VAL 7 4.941 -19.646 -14.157 54 HG22 VAL 7 HG22 VAL 7 3.606 -18.492 -14.154 55 HG23 VAL 7 HG23 VAL 7 3.520 -19.946 -13.160 56 H ARG 8 H ARG 8 2.356 -15.350 -12.378 57 HA ARG 8 HA ARG 8 3.312 -14.284 -14.750 58 HB2 ARG 8 HB2 ARG 8 1.390 -13.538 -12.628 59 HB3 ARG 8 HB3 ARG 8 1.888 -12.266 -13.712 60 HG2 ARG 8 HG2 ARG 8 1.103 -13.511 -15.613 61 HG3 ARG 8 HG3 ARG 8 0.722 -14.876 -14.568 62 HD2 ARG 8 HD2 ARG 8 -1.085 -13.821 -13.610 63 HD3 ARG 8 HD3 ARG 8 -0.463 -12.214 -13.958 64 HE ARG 8 HE ARG 8 -1.159 -13.688 -16.316 65 HH11 ARG 8 HH11 ARG 8 -2.389 -11.648 -13.766 66 HH12 ARG 8 HH12 ARG 8 -3.735 -11.080 -14.695 67 HH21 ARG 8 HH21 ARG 8 -2.938 -12.932 -17.543 68 HH22 ARG 8 HH22 ARG 8 -4.047 -11.810 -16.835 69 H THR 9 H THR 9 3.365 -11.581 -14.396 70 HA THR 9 HA THR 9 4.615 -9.788 -13.892 71 HB THR 9 HB THR 9 5.245 -11.512 -11.617 72 HG1 THR 9 HG1 THR 9 4.620 -9.512 -10.553 73 HG21 THR 9 HG21 THR 9 6.637 -9.405 -10.809 74 HG22 THR 9 HG22 THR 9 7.049 -9.364 -12.523 75 HG23 THR 9 HG23 THR 9 7.398 -10.804 -11.566 76 H CYS 10 H CYS 10 5.561 -9.959 -15.942 77 HA CYS 10 HA CYS 10 7.931 -11.560 -16.281 78 HB2 CYS 10 HB2 CYS 10 6.527 -9.566 -18.055 79 HB3 CYS 10 HB3 CYS 10 7.987 -10.424 -18.541 80 H LEU 11 H LEU 11 9.028 -9.197 -18.045 81 HA LEU 11 HA LEU 11 11.038 -8.446 -16.213 82 HB2 LEU 11 HB2 LEU 11 10.705 -8.392 -18.969 83 HB3 LEU 11 HB3 LEU 11 10.838 -6.701 -18.523 84 HG LEU 11 HG LEU 11 12.970 -7.220 -17.351 85 HD11 LEU 11 HD11 LEU 11 12.593 -9.564 -16.874 86 HD12 LEU 11 HD12 LEU 11 14.065 -9.367 -17.825 87 HD13 LEU 11 HD13 LEU 11 12.585 -9.937 -18.598 88 HD21 LEU 11 HD21 LEU 11 13.846 -8.174 -19.857 89 HD22 LEU 11 HD22 LEU 11 13.849 -6.515 -19.262 90 HD23 LEU 11 HD23 LEU 11 12.461 -7.125 -20.161 91 HA PRO 12 HA PRO 12 9.133 -5.010 -14.235 92 HB2 PRO 12 HB2 PRO 12 11.796 -3.893 -13.777 93 HB3 PRO 12 HB3 PRO 12 10.621 -4.496 -12.608 94 HG2 PRO 12 HG2 PRO 12 12.939 -5.771 -13.206 95 HG3 PRO 12 HG3 PRO 12 11.478 -6.599 -12.649 96 HD2 PRO 12 HD2 PRO 12 12.630 -6.409 -15.391 97 HD3 PRO 12 HD3 PRO 12 11.734 -7.739 -14.631 98 H CYS 13 H CYS 13 9.401 -2.562 -14.108 99 HA CYS 13 HA CYS 13 10.305 -1.386 -16.575 100 HB2 CYS 13 HB2 CYS 13 7.582 -1.744 -15.666 101 HB3 CYS 13 HB3 CYS 13 7.942 -0.064 -15.936 102 H GLY 14 H GLY 14 9.363 1.131 -16.124 103 HA2 GLY 14 HA2 GLY 14 10.001 3.109 -15.061 104 HA3 GLY 14 HA3 GLY 14 9.580 2.225 -13.621 105 HA PRO 15 HA PRO 15 13.988 3.107 -13.056 106 HB2 PRO 15 HB2 PRO 15 13.839 3.960 -10.562 107 HB3 PRO 15 HB3 PRO 15 13.096 4.918 -11.859 108 HG2 PRO 15 HG2 PRO 15 11.764 2.963 -10.017 109 HG3 PRO 15 HG3 PRO 15 11.320 4.650 -10.355 110 HD2 PRO 15 HD2 PRO 15 10.195 2.545 -11.651 111 HD3 PRO 15 HD3 PRO 15 10.405 4.131 -12.414 112 H GLY 16 H GLY 16 14.632 0.906 -13.256 113 HA2 GLY 16 HA2 GLY 16 15.875 -0.798 -12.199 114 HA3 GLY 16 HA3 GLY 16 15.066 -0.422 -10.686 115 H GLY 17 H GLY 17 12.651 -0.896 -10.721 116 HA2 GLY 17 HA2 GLY 17 11.534 -2.712 -12.479 117 HA3 GLY 17 HA3 GLY 17 12.230 -3.632 -11.167 118 H LYS 18 H LYS 18 10.847 -0.498 -11.060 119 HA LYS 18 HA LYS 18 9.203 -0.919 -8.853 120 HB2 LYS 18 HB2 LYS 18 9.892 1.165 -10.741 121 HB3 LYS 18 HB3 LYS 18 8.240 1.265 -10.167 122 HG2 LYS 18 HG2 LYS 18 10.108 2.528 -8.977 123 HG3 LYS 18 HG3 LYS 18 8.845 1.720 -8.049 124 HD2 LYS 18 HD2 LYS 18 10.290 -0.171 -7.711 125 HD3 LYS 18 HD3 LYS 18 11.546 0.564 -8.685 126 HE2 LYS 18 HE2 LYS 18 12.331 1.228 -6.665 127 HE3 LYS 18 HE3 LYS 18 11.164 2.529 -6.900 128 HZ1 LYS 18 HZ1 LYS 18 11.238 1.011 -4.728 129 HZ2 LYS 18 HZ2 LYS 18 10.145 0.111 -5.652 130 HZ3 LYS 18 HZ3 LYS 18 9.818 1.732 -5.301 131 H GLY 19 H GLY 19 8.807 -1.296 -12.207 132 HA2 GLY 19 HA2 GLY 19 6.114 -2.247 -11.833 133 HA3 GLY 19 HA3 GLY 19 6.404 -1.050 -13.078 134 H ARG 20 H ARG 20 5.793 -2.377 -14.650 135 HA ARG 20 HA ARG 20 7.797 -4.119 -15.724 136 HB2 ARG 20 HB2 ARG 20 6.512 -6.115 -15.850 137 HB3 ARG 20 HB3 ARG 20 6.500 -5.580 -14.173 138 HG2 ARG 20 HG2 ARG 20 4.297 -5.186 -14.172 139 HG3 ARG 20 HG3 ARG 20 4.336 -4.555 -15.816 140 HD2 ARG 20 HD2 ARG 20 3.576 -6.474 -16.617 141 HD3 ARG 20 HD3 ARG 20 4.932 -7.319 -15.879 142 HE ARG 20 HE ARG 20 2.258 -7.392 -15.010 143 HH11 ARG 20 HH11 ARG 20 5.509 -7.217 -13.750 144 HH12 ARG 20 HH12 ARG 20 5.086 -7.901 -12.218 145 HH21 ARG 20 HH21 ARG 20 1.703 -8.297 -12.996 146 HH22 ARG 20 HH22 ARG 20 2.928 -8.517 -11.790 147 H CYS 21 H CYS 21 6.970 -5.016 -17.901 148 HA CYS 21 HA CYS 21 5.547 -2.856 -19.274 149 HB2 CYS 21 HB2 CYS 21 7.624 -4.789 -19.952 150 HB3 CYS 21 HB3 CYS 21 6.434 -4.552 -21.210 151 H PHE 22 H PHE 22 3.462 -3.190 -20.038 152 HA PHE 22 HA PHE 22 2.406 -5.867 -19.675 153 HB2 PHE 22 HB2 PHE 22 1.235 -3.126 -20.000 154 HB3 PHE 22 HB3 PHE 22 0.233 -4.558 -20.155 155 HD1 PHE 22 HD1 PHE 22 3.078 -3.732 -17.892 156 HD2 PHE 22 HD2 PHE 22 -1.066 -4.705 -18.256 157 HE1 PHE 22 HE1 PHE 22 2.858 -3.775 -15.440 158 HE2 PHE 22 HE2 PHE 22 -1.270 -4.777 -15.806 159 HZ PHE 22 HZ PHE 22 0.694 -4.318 -14.397 160 H GLY 23 H GLY 23 3.814 -4.250 -22.204 161 HA2 GLY 23 HA2 GLY 23 3.588 -5.976 -24.162 162 HA3 GLY 23 HA3 GLY 23 1.946 -5.379 -24.179 163 HA PRO 24 HA PRO 24 3.482 -2.251 -26.884 164 HB2 PRO 24 HB2 PRO 24 1.411 -0.613 -26.989 165 HB3 PRO 24 HB3 PRO 24 1.215 -2.325 -27.378 166 HG2 PRO 24 HG2 PRO 24 0.382 -0.839 -24.947 167 HG3 PRO 24 HG3 PRO 24 -0.362 -2.240 -25.728 168 HD2 PRO 24 HD2 PRO 24 1.415 -2.218 -23.489 169 HD3 PRO 24 HD3 PRO 24 0.732 -3.633 -24.323 170 H SER 25 H SER 25 5.307 -1.235 -25.972 171 HA SER 25 HA SER 25 6.505 0.370 -24.818 172 HB2 SER 25 HB2 SER 25 5.330 1.416 -26.978 173 HB3 SER 25 HB3 SER 25 4.539 2.406 -25.748 174 HG SER 25 HG SER 25 6.324 3.532 -26.003 175 H ILE 26 H ILE 26 4.380 -0.853 -23.262 176 HA ILE 26 HA ILE 26 3.558 1.414 -21.591 177 HB ILE 26 HB ILE 26 1.905 -0.325 -22.722 178 HG12 ILE 26 HG12 ILE 26 1.400 0.403 -19.862 179 HG13 ILE 26 HG13 ILE 26 1.528 1.667 -21.104 180 HG21 ILE 26 HG21 ILE 26 3.030 -2.214 -21.560 181 HG22 ILE 26 HG22 ILE 26 1.295 -2.101 -21.242 182 HG23 ILE 26 HG23 ILE 26 2.466 -1.522 -20.034 183 HD11 ILE 26 HD11 ILE 26 -0.750 0.255 -20.416 184 HD12 ILE 26 HD12 ILE 26 -0.207 -0.521 -21.911 185 HD13 ILE 26 HD13 ILE 26 -0.522 1.219 -21.877 186 H CYS 27 H CYS 27 3.565 1.205 -19.375 187 HA CYS 27 HA CYS 27 5.136 -0.864 -18.117 188 HB2 CYS 27 HB2 CYS 27 5.741 2.042 -18.337 189 HB3 CYS 27 HB3 CYS 27 6.163 1.201 -16.875 190 H CYS 28 H CYS 28 4.447 -1.276 -16.033 191 HA CYS 28 HA CYS 28 2.625 0.623 -14.793 192 HB2 CYS 28 HB2 CYS 28 1.716 -1.636 -16.026 193 HB3 CYS 28 HB3 CYS 28 1.938 -2.208 -14.378 194 H GLY 29 H GLY 29 3.435 1.115 -12.824 195 HA2 GLY 29 HA2 GLY 29 5.048 -0.887 -11.501 196 HA3 GLY 29 HA3 GLY 29 5.267 0.806 -11.349 197 H ASP 30 H ASP 30 4.934 -0.742 -9.027 198 HA ASP 30 HA ASP 30 2.204 -0.710 -8.222 199 HB2 ASP 30 HB2 ASP 30 4.673 -1.710 -7.166 200 HB3 ASP 30 HB3 ASP 30 3.891 -0.727 -5.931 201 H GLU 31 H GLU 31 4.949 0.935 -6.732 202 HA GLU 31 HA GLU 31 3.370 3.146 -5.859 203 HB2 GLU 31 HB2 GLU 31 5.498 4.000 -4.988 204 HB3 GLU 31 HB3 GLU 31 5.290 2.310 -4.548 205 HG2 GLU 31 HG2 GLU 31 7.158 1.728 -5.584 206 HG3 GLU 31 HG3 GLU 31 6.663 2.535 -7.078 207 H LEU 32 H LEU 32 4.533 2.201 -8.726 208 HA LEU 32 HA LEU 32 5.543 4.672 -9.758 209 HB2 LEU 32 HB2 LEU 32 5.946 1.971 -10.011 210 HB3 LEU 32 HB3 LEU 32 5.220 2.437 -11.498 211 HG LEU 32 HG LEU 32 7.867 3.021 -10.430 212 HD11 LEU 32 HD11 LEU 32 7.199 2.665 -13.277 213 HD12 LEU 32 HD12 LEU 32 6.931 1.283 -12.185 214 HD13 LEU 32 HD13 LEU 32 8.543 2.016 -12.329 215 HD21 LEU 32 HD21 LEU 32 7.234 4.655 -12.755 216 HD22 LEU 32 HD22 LEU 32 8.178 5.052 -11.319 217 HD23 LEU 32 HD23 LEU 32 6.421 5.188 -11.283 218 H GLY 33 H GLY 33 2.669 2.754 -9.984 219 HA2 GLY 33 HA2 GLY 33 0.609 3.374 -10.901 220 HA3 GLY 33 HA3 GLY 33 1.396 4.781 -11.557 221 H CYS 34 H CYS 34 0.256 4.389 -13.548 222 HA CYS 34 HA CYS 34 1.611 2.351 -15.166 223 HB2 CYS 34 HB2 CYS 34 -0.957 2.028 -14.310 224 HB3 CYS 34 HB3 CYS 34 -1.203 2.790 -15.877 225 H PHE 35 H PHE 35 2.620 3.313 -16.773 226 HA PHE 35 HA PHE 35 1.314 5.623 -18.105 227 HB2 PHE 35 HB2 PHE 35 4.191 5.542 -18.477 228 HB3 PHE 35 HB3 PHE 35 3.193 6.857 -17.984 229 HD1 PHE 35 HD1 PHE 35 4.378 3.660 -16.479 230 HD2 PHE 35 HD2 PHE 35 3.806 7.854 -16.041 231 HE1 PHE 35 HE1 PHE 35 5.342 3.545 -14.229 232 HE2 PHE 35 HE2 PHE 35 4.781 7.743 -13.779 233 HZ PHE 35 HZ PHE 35 5.556 5.580 -12.883 234 H VAL 36 H VAL 36 1.294 5.642 -20.343 235 HA VAL 36 HA VAL 36 2.351 3.216 -21.622 236 HB VAL 36 HB VAL 36 0.494 5.081 -23.054 237 HG11 VAL 36 HG11 VAL 36 1.757 3.076 -24.069 238 HG12 VAL 36 HG12 VAL 36 0.032 3.245 -24.407 239 HG13 VAL 36 HG13 VAL 36 0.583 2.088 -23.195 240 HG21 VAL 36 HG21 VAL 36 -0.165 3.473 -20.710 241 HG22 VAL 36 HG22 VAL 36 -1.181 3.136 -22.110 242 HG23 VAL 36 HG23 VAL 36 -1.067 4.780 -21.476 243 H GLY 37 H GLY 37 4.369 3.647 -22.117 244 HA2 GLY 37 HA2 GLY 37 6.117 4.476 -23.385 245 HA3 GLY 37 HA3 GLY 37 4.927 5.336 -24.350 246 H THR 38 H THR 38 4.620 6.067 -21.087 247 HA THR 38 HA THR 38 5.461 8.773 -21.421 248 HB THR 38 HB THR 38 4.935 7.382 -18.800 249 HG1 THR 38 HG1 THR 38 3.211 6.788 -20.044 250 HG21 THR 38 HG21 THR 38 4.359 9.365 -17.899 251 HG22 THR 38 HG22 THR 38 3.805 10.037 -19.437 252 HG23 THR 38 HG23 THR 38 5.529 9.938 -19.089 253 H ALA 39 H ALA 39 7.083 9.804 -19.918 254 HA ALA 39 HA ALA 39 9.635 8.950 -20.211 255 HB1 ALA 39 HB1 ALA 39 8.743 11.094 -19.105 256 HB2 ALA 39 HB2 ALA 39 10.279 10.445 -18.532 257 HB3 ALA 39 HB3 ALA 39 8.805 10.176 -17.600 258 H GLU 40 H GLU 40 7.748 8.337 -17.256 259 HA GLU 40 HA GLU 40 9.595 6.418 -16.254 260 HB2 GLU 40 HB2 GLU 40 7.198 7.736 -15.335 261 HB3 GLU 40 HB3 GLU 40 7.207 6.033 -14.912 262 HG2 GLU 40 HG2 GLU 40 8.230 6.971 -13.090 263 HG3 GLU 40 HG3 GLU 40 9.610 6.499 -14.080 264 H ALA 41 H ALA 41 7.825 6.035 -18.865 265 HA ALA 41 HA ALA 41 7.215 3.207 -18.331 266 HB1 ALA 41 HB1 ALA 41 5.683 5.045 -20.101 267 HB2 ALA 41 HB2 ALA 41 5.200 4.634 -18.461 268 HB3 ALA 41 HB3 ALA 41 5.267 3.383 -19.710 269 H LEU 42 H LEU 42 9.174 5.189 -19.997 270 HA LEU 42 HA LEU 42 9.088 4.179 -22.609 271 HB2 LEU 42 HB2 LEU 42 11.400 5.121 -22.779 272 HB3 LEU 42 HB3 LEU 42 10.162 6.259 -22.298 273 HG LEU 42 HG LEU 42 11.253 6.787 -20.428 274 HD11 LEU 42 HD11 LEU 42 10.393 4.642 -19.415 275 HD12 LEU 42 HD12 LEU 42 11.858 5.307 -18.704 276 HD13 LEU 42 HD13 LEU 42 11.961 3.939 -19.810 277 HD21 LEU 42 HD21 LEU 42 13.243 6.954 -21.490 278 HD22 LEU 42 HD22 LEU 42 13.263 5.255 -21.961 279 HD23 LEU 42 HD23 LEU 42 13.671 5.716 -20.307 280 H ARG 43 H ARG 43 9.995 2.818 -19.703 281 HA ARG 43 HA ARG 43 12.213 1.312 -20.127 282 HB2 ARG 43 HB2 ARG 43 10.016 1.318 -18.327 283 HB3 ARG 43 HB3 ARG 43 10.356 -0.334 -18.809 284 HG2 ARG 43 HG2 ARG 43 11.579 0.292 -16.791 285 HG3 ARG 43 HG3 ARG 43 12.674 -0.085 -18.124 286 HD2 ARG 43 HD2 ARG 43 13.482 1.887 -17.029 287 HD3 ARG 43 HD3 ARG 43 12.832 2.359 -18.599 288 HE ARG 43 HE ARG 43 10.757 2.685 -16.846 289 HH11 ARG 43 HH11 ARG 43 14.010 3.920 -17.113 290 HH12 ARG 43 HH12 ARG 43 13.634 5.427 -16.349 291 HH21 ARG 43 HH21 ARG 43 10.264 4.671 -15.844 292 HH22 ARG 43 HH22 ARG 43 11.511 5.850 -15.625 293 H CYS 44 H CYS 44 9.212 0.952 -21.775 294 HA CYS 44 HA CYS 44 9.617 -1.794 -22.397 295 HB2 CYS 44 HB2 CYS 44 7.561 0.120 -22.853 296 HB3 CYS 44 HB3 CYS 44 7.913 -0.728 -24.352 297 H GLN 45 H GLN 45 10.899 1.085 -23.625 298 HA GLN 45 HA GLN 45 11.465 0.275 -26.248 299 HB2 GLN 45 HB2 GLN 45 12.315 2.387 -24.407 300 HB3 GLN 45 HB3 GLN 45 13.559 1.904 -25.540 301 HG2 GLN 45 HG2 GLN 45 12.327 3.769 -26.430 302 HG3 GLN 45 HG3 GLN 45 12.015 2.332 -27.402 303 HE21 GLN 45 HE21 GLN 45 10.656 3.430 -24.316 304 HE22 GLN 45 HE22 GLN 45 9.013 3.444 -24.847 305 H GLU 46 H GLU 46 12.567 -0.510 -23.194 306 HA GLU 46 HA GLU 46 15.135 -1.607 -23.791 307 HB2 GLU 46 HB2 GLU 46 13.252 -1.585 -21.478 308 HB3 GLU 46 HB3 GLU 46 14.573 -2.711 -21.474 309 HG2 GLU 46 HG2 GLU 46 16.161 -0.883 -21.674 310 HG3 GLU 46 HG3 GLU 46 14.819 0.260 -21.767 311 H GLU 47 H GLU 47 11.877 -2.639 -24.069 312 HA GLU 47 HA GLU 47 12.377 -5.462 -23.933 313 HB2 GLU 47 HB2 GLU 47 10.149 -4.071 -23.588 314 HB3 GLU 47 HB3 GLU 47 9.977 -4.353 -25.315 315 HG2 GLU 47 HG2 GLU 47 8.826 -6.126 -24.412 316 HG3 GLU 47 HG3 GLU 47 10.416 -6.828 -24.708 317 H ASN 48 H ASN 48 13.308 -3.248 -26.162 318 HA ASN 48 HA ASN 48 12.632 -4.584 -28.564 319 HB2 ASN 48 HB2 ASN 48 14.147 -3.001 -29.639 320 HB3 ASN 48 HB3 ASN 48 13.097 -2.167 -28.498 321 HD21 ASN 48 HD21 ASN 48 15.069 -0.685 -29.046 322 HD22 ASN 48 HD22 ASN 48 16.339 -0.728 -27.877 323 H TYR 49 H TYR 49 14.743 -5.375 -26.113 324 HA TYR 49 HA TYR 49 16.762 -6.561 -27.874 325 HB2 TYR 49 HB2 TYR 49 16.574 -6.142 -24.895 326 HB3 TYR 49 HB3 TYR 49 17.779 -7.226 -25.597 327 HD1 TYR 49 HD1 TYR 49 19.480 -6.291 -27.185 328 HD2 TYR 49 HD2 TYR 49 16.869 -3.797 -24.934 329 HE1 TYR 49 HE1 TYR 49 20.960 -4.374 -27.605 330 HE2 TYR 49 HE2 TYR 49 18.342 -1.872 -25.348 331 HH TYR 49 HH TYR 49 20.225 -1.416 -27.468 332 H LEU 50 H LEU 50 13.896 -7.417 -26.221 333 HA LEU 50 HA LEU 50 14.379 -10.238 -26.840 334 HB2 LEU 50 HB2 LEU 50 14.113 -9.111 -24.199 335 HB3 LEU 50 HB3 LEU 50 12.782 -10.206 -24.516 336 HG LEU 50 HG LEU 50 14.518 -11.432 -23.424 337 HD11 LEU 50 HD11 LEU 50 13.566 -12.921 -24.865 338 HD12 LEU 50 HD12 LEU 50 15.233 -12.970 -25.436 339 HD13 LEU 50 HD13 LEU 50 14.033 -12.010 -26.299 340 HD21 LEU 50 HD21 LEU 50 16.241 -9.779 -25.007 341 HD22 LEU 50 HD22 LEU 50 16.655 -11.476 -25.245 342 HD23 LEU 50 HD23 LEU 50 16.632 -10.794 -23.619 343 HA PRO 51 HA PRO 51 10.535 -8.583 -28.899 344 HB2 PRO 51 HB2 PRO 51 11.190 -11.224 -30.166 345 HB3 PRO 51 HB3 PRO 51 10.523 -9.759 -30.906 346 HG2 PRO 51 HG2 PRO 51 13.084 -10.248 -31.192 347 HG3 PRO 51 HG3 PRO 51 12.554 -8.610 -30.750 348 HD2 PRO 51 HD2 PRO 51 13.791 -10.723 -29.032 349 HD3 PRO 51 HD3 PRO 51 14.038 -8.963 -29.011 350 H SER 52 H SER 52 8.408 -9.597 -29.156 351 HA SER 52 HA SER 52 6.596 -10.723 -28.379 352 HB2 SER 52 HB2 SER 52 7.659 -12.723 -29.208 353 HB3 SER 52 HB3 SER 52 8.685 -12.825 -27.777 354 HG SER 52 HG SER 52 5.881 -13.187 -27.940 355 HA PRO 53 HA PRO 53 7.063 -9.631 -24.008 356 HB2 PRO 53 HB2 PRO 53 4.914 -8.078 -23.811 357 HB3 PRO 53 HB3 PRO 53 6.345 -7.524 -24.686 358 HG2 PRO 53 HG2 PRO 53 3.744 -8.511 -25.740 359 HG3 PRO 53 HG3 PRO 53 4.832 -7.280 -26.403 360 HD2 PRO 53 HD2 PRO 53 4.652 -9.994 -27.190 361 HD3 PRO 53 HD3 PRO 53 5.890 -8.824 -27.683 362 H CYS 54 H CYS 54 5.961 -10.328 -22.133 363 HA CYS 54 HA CYS 54 3.724 -12.136 -22.582 364 HB2 CYS 54 HB2 CYS 54 4.635 -13.314 -20.498 365 HB3 CYS 54 HB3 CYS 54 5.555 -13.496 -21.987 366 H GLN 55 H GLN 55 2.994 -12.666 -20.001 367 HA GLN 55 HA GLN 55 1.675 -11.897 -18.330 368 HB2 GLN 55 HB2 GLN 55 4.064 -10.393 -18.240 369 HB3 GLN 55 HB3 GLN 55 2.770 -9.271 -17.900 370 HG2 GLN 55 HG2 GLN 55 3.071 -11.894 -16.490 371 HG3 GLN 55 HG3 GLN 55 3.792 -10.394 -15.918 372 HE21 GLN 55 HE21 GLN 55 0.777 -12.039 -16.587 373 HE22 GLN 55 HE22 GLN 55 -0.207 -11.057 -15.562 374 H SER 56 H SER 56 0.078 -10.178 -17.707 375 HA SER 56 HA SER 56 -0.664 -8.323 -19.750 376 HB2 SER 56 HB2 SER 56 -2.804 -9.247 -20.259 377 HB3 SER 56 HB3 SER 56 -1.643 -10.565 -20.416 378 HG SER 56 HG SER 56 -3.452 -11.231 -19.225 379 H GLY 57 H GLY 57 -3.373 -7.991 -18.860 380 HA2 GLY 57 HA2 GLY 57 -2.827 -6.459 -16.456 381 HA3 GLY 57 HA3 GLY 57 -4.289 -6.398 -17.426 382 H GLN 58 H GLN 58 -4.455 -6.341 -14.744 383 HA GLN 58 HA GLN 58 -5.339 -9.016 -13.929 384 HB2 GLN 58 HB2 GLN 58 -3.928 -6.857 -12.560 385 HB3 GLN 58 HB3 GLN 58 -5.292 -7.504 -11.664 386 HG2 GLN 58 HG2 GLN 58 -3.829 -9.683 -12.734 387 HG3 GLN 58 HG3 GLN 58 -2.696 -8.584 -11.954 388 HE21 GLN 58 HE21 GLN 58 -5.914 -9.959 -11.348 389 HE22 GLN 58 HE22 GLN 58 -5.636 -10.319 -9.684 390 H LYS 59 H LYS 59 -7.083 -8.864 -12.212 391 HA LYS 59 HA LYS 59 -9.478 -8.701 -12.830 392 HB2 LYS 59 HB2 LYS 59 -10.256 -7.473 -10.811 393 HB3 LYS 59 HB3 LYS 59 -8.997 -8.655 -10.468 394 HG2 LYS 59 HG2 LYS 59 -7.531 -6.405 -10.925 395 HG3 LYS 59 HG3 LYS 59 -8.982 -5.746 -10.167 396 HD2 LYS 59 HD2 LYS 59 -8.605 -7.681 -8.449 397 HD3 LYS 59 HD3 LYS 59 -6.953 -7.645 -9.067 398 HE2 LYS 59 HE2 LYS 59 -8.385 -5.190 -8.081 399 HE3 LYS 59 HE3 LYS 59 -7.421 -6.222 -7.026 400 HZ1 LYS 59 HZ1 LYS 59 -6.054 -4.444 -7.762 401 HZ2 LYS 59 HZ2 LYS 59 -6.476 -4.688 -9.382 402 HZ3 LYS 59 HZ3 LYS 59 -5.531 -5.833 -8.573 403 HA PRO 60 HA PRO 60 -9.542 -5.279 -15.712 404 HB2 PRO 60 HB2 PRO 60 -12.077 -6.656 -16.333 405 HB3 PRO 60 HB3 PRO 60 -10.789 -6.117 -17.413 406 HG2 PRO 60 HG2 PRO 60 -11.103 -8.693 -16.717 407 HG3 PRO 60 HG3 PRO 60 -9.513 -7.980 -17.038 408 HD2 PRO 60 HD2 PRO 60 -10.737 -8.769 -14.468 409 HD3 PRO 60 HD3 PRO 60 -9.031 -8.633 -14.926 410 H CYS 61 H CYS 61 -11.057 -3.789 -16.471 411 HA CYS 61 HA CYS 61 -13.449 -3.179 -15.029 412 HB2 CYS 61 HB2 CYS 61 -12.608 -0.747 -14.629 413 HB3 CYS 61 HB3 CYS 61 -12.258 -2.010 -13.465 414 H GLY 62 H GLY 62 -14.651 -1.344 -15.845 415 HA2 GLY 62 HA2 GLY 62 -14.397 -1.202 -18.695 416 HA3 GLY 62 HA3 GLY 62 -15.791 -0.780 -17.734 417 H SER 63 H SER 63 -12.606 0.471 -17.021 418 HA SER 63 HA SER 63 -13.465 3.053 -17.984 419 HB2 SER 63 HB2 SER 63 -12.992 2.748 -15.486 420 HB3 SER 63 HB3 SER 63 -11.304 2.605 -15.952 421 HG SER 63 HG SER 63 -11.626 4.692 -17.032 422 H GLY 64 H GLY 64 -12.420 1.053 -19.632 423 HA2 GLY 64 HA2 GLY 64 -11.091 1.429 -21.563 424 HA3 GLY 64 HA3 GLY 64 -10.001 2.352 -20.561 425 H GLY 65 H GLY 65 -10.680 -0.331 -18.811 426 HA2 GLY 65 HA2 GLY 65 -9.444 -2.504 -19.843 427 HA3 GLY 65 HA3 GLY 65 -8.133 -1.462 -19.442 428 H ARG 66 H ARG 66 -7.219 -2.756 -17.994 429 HA ARG 66 HA ARG 66 -8.769 -3.818 -15.860 430 HB2 ARG 66 HB2 ARG 66 -5.816 -4.154 -16.133 431 HB3 ARG 66 HB3 ARG 66 -6.985 -5.271 -15.458 432 HG2 ARG 66 HG2 ARG 66 -6.719 -4.582 -18.374 433 HG3 ARG 66 HG3 ARG 66 -6.116 -6.047 -17.601 434 HD2 ARG 66 HD2 ARG 66 -8.551 -6.358 -16.829 435 HD3 ARG 66 HD3 ARG 66 -8.939 -5.204 -18.099 436 HE ARG 66 HE ARG 66 -7.506 -7.728 -18.626 437 HH11 ARG 66 HH11 ARG 66 -10.012 -5.418 -19.425 438 HH12 ARG 66 HH12 ARG 66 -10.502 -6.267 -20.850 439 HH21 ARG 66 HH21 ARG 66 -8.162 -8.834 -20.497 440 HH22 ARG 66 HH22 ARG 66 -9.457 -8.202 -21.457 441 H CYS 67 H CYS 67 -7.221 -4.025 -13.682 442 HA CYS 67 HA CYS 67 -7.222 -1.334 -12.715 443 HB2 CYS 67 HB2 CYS 67 -8.097 -3.209 -11.352 444 HB3 CYS 67 HB3 CYS 67 -6.480 -3.880 -11.295 445 H ALA 68 H ALA 68 -5.438 -1.380 -14.630 446 HA ALA 68 HA ALA 68 -2.993 -2.117 -14.723 447 HB1 ALA 68 HB1 ALA 68 -4.225 0.323 -15.362 448 HB2 ALA 68 HB2 ALA 68 -2.786 -0.416 -16.067 449 HB3 ALA 68 HB3 ALA 68 -2.628 0.684 -14.699 450 H ALA 69 H ALA 69 -3.335 0.732 -12.404 451 HA ALA 69 HA ALA 69 -1.554 -0.580 -10.560 452 HB1 ALA 69 HB1 ALA 69 0.055 0.246 -12.123 453 HB2 ALA 69 HB2 ALA 69 0.069 1.317 -10.724 454 HB3 ALA 69 HB3 ALA 69 -0.757 1.820 -12.213 455 H ALA 70 H ALA 70 -1.522 0.413 -8.575 456 HA ALA 70 HA ALA 70 -2.860 1.393 -6.844 457 HB1 ALA 70 HB1 ALA 70 -1.229 2.877 -6.413 458 HB2 ALA 70 HB2 ALA 70 -2.360 4.030 -7.154 459 HB3 ALA 70 HB3 ALA 70 -1.050 3.317 -8.117 460 H GLY 71 H GLY 71 -4.636 0.862 -8.673 461 HA2 GLY 71 HA2 GLY 71 -6.706 1.507 -9.383 462 HA3 GLY 71 HA3 GLY 71 -6.498 2.962 -8.440 463 H ILE 72 H ILE 72 -5.874 1.412 -11.400 464 HA ILE 72 HA ILE 72 -6.076 3.774 -12.924 465 HB ILE 72 HB ILE 72 -3.447 2.338 -12.778 466 HG12 ILE 72 HG12 ILE 72 -4.271 4.741 -11.906 467 HG13 ILE 72 HG13 ILE 72 -2.607 4.314 -12.278 468 HG21 ILE 72 HG21 ILE 72 -3.953 2.072 -15.099 469 HG22 ILE 72 HG22 ILE 72 -2.828 3.416 -14.948 470 HG23 ILE 72 HG23 ILE 72 -4.539 3.726 -15.218 471 HD11 ILE 72 HD11 ILE 72 -2.518 5.596 -14.077 472 HD12 ILE 72 HD12 ILE 72 -3.881 6.444 -13.318 473 HD13 ILE 72 HD13 ILE 72 -4.176 5.224 -14.578 474 H CYS 73 H CYS 73 -7.561 3.075 -14.253 475 HA CYS 73 HA CYS 73 -7.571 0.303 -14.934 476 HB2 CYS 73 HB2 CYS 73 -9.621 1.445 -14.181 477 HB3 CYS 73 HB3 CYS 73 -9.605 2.412 -15.641 478 H CYS 74 H CYS 74 -6.017 -0.059 -16.395 479 HA CYS 74 HA CYS 74 -6.050 1.623 -18.799 480 HB2 CYS 74 HB2 CYS 74 -4.281 2.458 -17.438 481 HB3 CYS 74 HB3 CYS 74 -3.677 0.849 -17.138 482 H SER 75 H SER 75 -5.399 0.781 -20.592 483 HA SER 75 HA SER 75 -4.600 -2.037 -20.692 484 HB2 SER 75 HB2 SER 75 -6.416 -0.600 -22.638 485 HB3 SER 75 HB3 SER 75 -5.931 -2.281 -22.764 486 HG SER 75 HG SER 75 -7.861 -1.143 -21.237 487 HA PRO 76 HA PRO 76 -1.709 -0.346 -23.790 488 HB2 PRO 76 HB2 PRO 76 -2.300 -0.855 -26.343 489 HB3 PRO 76 HB3 PRO 76 -1.973 -2.179 -25.220 490 HG2 PRO 76 HG2 PRO 76 -4.550 -1.251 -26.353 491 HG3 PRO 76 HG3 PRO 76 -4.049 -2.880 -25.872 492 HD2 PRO 76 HD2 PRO 76 -5.631 -1.083 -24.372 493 HD3 PRO 76 HD3 PRO 76 -4.923 -2.614 -23.822 494 H ASP 77 H ASP 77 -4.957 0.400 -24.705 495 HA ASP 77 HA ASP 77 -4.713 2.562 -26.408 496 HB2 ASP 77 HB2 ASP 77 -6.790 1.134 -25.155 497 HB3 ASP 77 HB3 ASP 77 -7.054 2.825 -24.743 498 H GLY 78 H GLY 78 -5.275 2.606 -22.884 499 HA2 GLY 78 HA2 GLY 78 -3.496 4.729 -22.517 500 HA3 GLY 78 HA3 GLY 78 -5.113 5.373 -22.522 501 H CYS 79 H CYS 79 -3.310 5.453 -20.277 502 HA CYS 79 HA CYS 79 -4.765 3.689 -18.467 503 HB2 CYS 79 HB2 CYS 79 -2.279 5.112 -17.676 504 HB3 CYS 79 HB3 CYS 79 -3.031 3.758 -16.886 505 H GLU 80 H GLU 80 -5.784 4.463 -16.818 506 HA GLU 80 HA GLU 80 -5.470 7.248 -16.133 507 HB2 GLU 80 HB2 GLU 80 -7.783 7.841 -16.444 508 HB3 GLU 80 HB3 GLU 80 -7.133 7.226 -17.956 509 HG2 GLU 80 HG2 GLU 80 -8.667 5.637 -18.051 510 HG3 GLU 80 HG3 GLU 80 -8.287 5.091 -16.418 511 H GLU 81 H GLU 81 -5.883 7.718 -14.024 512 HA GLU 81 HA GLU 81 -5.945 5.707 -12.163 513 HB2 GLU 81 HB2 GLU 81 -6.782 7.625 -10.625 514 HB3 GLU 81 HB3 GLU 81 -5.206 7.762 -11.372 515 HG2 GLU 81 HG2 GLU 81 -6.978 8.895 -13.179 516 HG3 GLU 81 HG3 GLU 81 -7.443 9.462 -11.599 517 H ASP 82 H ASP 82 -7.468 4.370 -11.639 518 HA ASP 82 HA ASP 82 -10.187 5.031 -12.330 519 HB2 ASP 82 HB2 ASP 82 -10.590 2.575 -12.298 520 HB3 ASP 82 HB3 ASP 82 -9.375 3.093 -13.462 521 HA PRO 83 HA PRO 83 -10.858 5.616 -7.917 522 HB2 PRO 83 HB2 PRO 83 -13.575 5.955 -9.110 523 HB3 PRO 83 HB3 PRO 83 -12.747 6.999 -7.944 524 HG2 PRO 83 HG2 PRO 83 -12.951 7.750 -10.462 525 HG3 PRO 83 HG3 PRO 83 -11.412 7.966 -9.605 526 HD2 PRO 83 HD2 PRO 83 -12.203 5.837 -11.552 527 HD3 PRO 83 HD3 PRO 83 -10.669 6.710 -11.426 528 H ALA 84 H ALA 84 -12.134 3.641 -10.291 529 HA ALA 84 HA ALA 84 -13.814 1.963 -8.842 530 HB1 ALA 84 HB1 ALA 84 -13.875 0.714 -10.855 531 HB2 ALA 84 HB2 ALA 84 -12.219 1.204 -11.245 532 HB3 ALA 84 HB3 ALA 84 -13.531 2.371 -11.384 533 H CYS 85 H CYS 85 -10.506 2.353 -8.987 534 HA CYS 85 HA CYS 85 -10.130 -0.197 -7.700 535 HB2 CYS 85 HB2 CYS 85 -8.949 0.473 -10.109 536 HB3 CYS 85 HB3 CYS 85 -7.681 0.524 -8.893 537 H ASP 86 H ASP 86 -9.052 3.237 -7.306 538 HA ASP 86 HA ASP 86 -8.390 2.727 -4.606 539 HB2 ASP 86 HB2 ASP 86 -6.773 1.181 -5.843 540 HB3 ASP 86 HB3 ASP 86 -5.907 2.665 -6.229 541 HA PRO 87 HA PRO 87 -5.840 6.571 -5.430 542 HB2 PRO 87 HB2 PRO 87 -5.704 7.564 -7.986 543 HB3 PRO 87 HB3 PRO 87 -4.616 6.388 -7.284 544 HG2 PRO 87 HG2 PRO 87 -6.409 5.946 -9.398 545 HG3 PRO 87 HG3 PRO 87 -5.465 4.758 -8.498 546 HD2 PRO 87 HD2 PRO 87 -8.302 5.566 -8.104 547 HD3 PRO 87 HD3 PRO 87 -7.569 3.968 -7.980 548 H GLU 88 H GLU 88 -7.822 7.296 -8.137 549 HA GLU 88 HA GLU 88 -8.664 9.826 -7.055 550 HB2 GLU 88 HB2 GLU 88 -8.208 9.175 -9.563 551 HB3 GLU 88 HB3 GLU 88 -9.799 8.429 -9.456 552 HG2 GLU 88 HG2 GLU 88 -10.681 10.690 -8.729 553 HG3 GLU 88 HG3 GLU 88 -9.116 11.339 -9.218 554 H ALA 89 H ALA 89 -9.243 6.890 -6.417 555 HA ALA 89 HA ALA 89 -11.892 6.196 -6.617 556 HB1 ALA 89 HB1 ALA 89 -9.466 5.170 -5.415 557 HB2 ALA 89 HB2 ALA 89 -10.664 4.380 -6.426 558 HB3 ALA 89 HB3 ALA 89 -10.958 4.574 -4.700 559 H ALA 90 H ALA 90 -12.793 5.101 -4.903 560 HA ALA 90 HA ALA 90 -13.829 6.714 -2.734 561 HB1 ALA 90 HB1 ALA 90 -15.448 5.897 -4.412 562 HB2 ALA 90 HB2 ALA 90 -15.706 5.101 -2.856 563 HB3 ALA 90 HB3 ALA 90 -14.845 4.252 -4.156 564 H PHE 91 H PHE 91 -14.804 4.255 -1.397 565 HA PHE 91 HA PHE 91 -12.303 3.404 -0.195 566 HB2 PHE 91 HB2 PHE 91 -14.532 3.611 1.064 567 HB3 PHE 91 HB3 PHE 91 -15.026 2.140 0.233 568 HD1 PHE 91 HD1 PHE 91 -11.845 3.204 1.868 569 HD2 PHE 91 HD2 PHE 91 -15.009 0.363 1.691 570 HE1 PHE 91 HE1 PHE 91 -10.719 1.850 3.585 571 HE2 PHE 91 HE2 PHE 91 -13.889 -0.994 3.411 572 HZ PHE 91 HZ PHE 91 -11.742 -0.251 4.359 573 H SER 92 H SER 92 -11.947 2.981 -2.674 574 HA SER 92 HA SER 92 -12.679 0.263 -3.423 575 HB2 SER 92 HB2 SER 92 -13.237 1.697 -5.184 576 HB3 SER 92 HB3 SER 92 -11.809 2.726 -4.961 577 HG SER 92 HG SER 92 -11.148 1.555 -6.569 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 -4.471 -12.658 -18.057 2 H2 ALA 1 H2 ALA 1 -6.082 -12.065 -18.064 3 H3 ALA 1 H3 ALA 1 -5.786 -13.754 -18.142 4 HA ALA 1 HA ALA 1 -5.158 -11.963 -15.893 5 HB1 ALA 1 HB1 ALA 1 -7.111 -14.219 -15.802 6 HB2 ALA 1 HB2 ALA 1 -7.603 -12.658 -16.462 7 HB3 ALA 1 HB3 ALA 1 -7.018 -12.769 -14.801 8 H VAL 2 H VAL 2 -5.367 -15.340 -17.024 9 HA VAL 2 HA VAL 2 -4.017 -16.503 -14.863 10 HB VAL 2 HB VAL 2 -3.536 -18.394 -16.415 11 HG11 VAL 2 HG11 VAL 2 -5.880 -17.676 -15.299 12 HG12 VAL 2 HG12 VAL 2 -5.645 -19.168 -16.210 13 HG13 VAL 2 HG13 VAL 2 -6.354 -17.758 -16.996 14 HG21 VAL 2 HG21 VAL 2 -4.338 -16.352 -18.395 15 HG22 VAL 2 HG22 VAL 2 -4.926 -17.992 -18.668 16 HG23 VAL 2 HG23 VAL 2 -3.194 -17.686 -18.538 17 H LEU 3 H LEU 3 -1.927 -16.546 -14.288 18 HA LEU 3 HA LEU 3 -0.039 -15.005 -15.636 19 HB2 LEU 3 HB2 LEU 3 -0.188 -16.563 -13.157 20 HB3 LEU 3 HB3 LEU 3 1.418 -16.447 -13.865 21 HG LEU 3 HG LEU 3 1.515 -14.574 -12.584 22 HD11 LEU 3 HD11 LEU 3 1.525 -13.868 -14.957 23 HD12 LEU 3 HD12 LEU 3 1.005 -12.601 -13.835 24 HD13 LEU 3 HD13 LEU 3 -0.194 -13.488 -14.791 25 HD21 LEU 3 HD21 LEU 3 -1.380 -13.892 -12.857 26 HD22 LEU 3 HD22 LEU 3 -0.257 -13.514 -11.550 27 HD23 LEU 3 HD23 LEU 3 -0.863 -15.158 -11.742 28 H ASP 4 H ASP 4 1.944 -15.560 -16.412 29 HA ASP 4 HA ASP 4 1.946 -17.869 -18.019 30 HB2 ASP 4 HB2 ASP 4 2.911 -15.609 -18.642 31 HB3 ASP 4 HB3 ASP 4 4.266 -15.993 -17.587 32 H LEU 5 H LEU 5 5.120 -17.575 -17.116 33 HA LEU 5 HA LEU 5 4.886 -19.877 -15.435 34 HB2 LEU 5 HB2 LEU 5 7.355 -20.113 -15.932 35 HB3 LEU 5 HB3 LEU 5 6.244 -20.268 -17.270 36 HG LEU 5 HG LEU 5 6.842 -17.649 -17.495 37 HD11 LEU 5 HD11 LEU 5 9.418 -17.731 -17.351 38 HD12 LEU 5 HD12 LEU 5 9.130 -18.993 -16.153 39 HD13 LEU 5 HD13 LEU 5 8.466 -17.385 -15.918 40 HD21 LEU 5 HD21 LEU 5 6.995 -19.711 -19.097 41 HD22 LEU 5 HD22 LEU 5 8.712 -19.625 -18.705 42 HD23 LEU 5 HD23 LEU 5 7.905 -18.240 -19.440 43 H ASP 6 H ASP 6 7.830 -19.009 -14.611 44 HA ASP 6 HA ASP 6 7.016 -17.955 -12.107 45 HB2 ASP 6 HB2 ASP 6 9.474 -18.995 -13.348 46 HB3 ASP 6 HB3 ASP 6 9.705 -17.849 -12.037 47 H VAL 7 H VAL 7 7.769 -16.593 -15.049 48 HA VAL 7 HA VAL 7 8.820 -14.141 -13.972 49 HB VAL 7 HB VAL 7 9.148 -13.458 -16.322 50 HG11 VAL 7 HG11 VAL 7 10.967 -14.534 -15.134 51 HG12 VAL 7 HG12 VAL 7 10.970 -15.034 -16.825 52 HG13 VAL 7 HG13 VAL 7 10.351 -16.124 -15.585 53 HG21 VAL 7 HG21 VAL 7 7.878 -14.449 -17.862 54 HG22 VAL 7 HG22 VAL 7 7.501 -15.800 -16.794 55 HG23 VAL 7 HG23 VAL 7 8.981 -15.821 -17.753 56 H ARG 8 H ARG 8 6.244 -14.552 -13.194 57 HA ARG 8 HA ARG 8 4.315 -13.554 -14.923 58 HB2 ARG 8 HB2 ARG 8 4.435 -13.753 -11.917 59 HB3 ARG 8 HB3 ARG 8 2.989 -13.387 -12.827 60 HG2 ARG 8 HG2 ARG 8 2.852 -15.501 -13.739 61 HG3 ARG 8 HG3 ARG 8 4.548 -15.832 -13.430 62 HD2 ARG 8 HD2 ARG 8 4.152 -16.041 -11.086 63 HD3 ARG 8 HD3 ARG 8 2.492 -15.488 -11.258 64 HE ARG 8 HE ARG 8 2.412 -17.641 -12.782 65 HH11 ARG 8 HH11 ARG 8 3.915 -17.255 -9.652 66 HH12 ARG 8 HH12 ARG 8 3.668 -18.906 -9.199 67 HH21 ARG 8 HH21 ARG 8 2.080 -19.802 -12.179 68 HH22 ARG 8 HH22 ARG 8 2.626 -20.352 -10.630 69 H THR 9 H THR 9 3.209 -11.511 -14.812 70 HA THR 9 HA THR 9 3.147 -9.258 -14.842 71 HB THR 9 HB THR 9 4.778 -9.622 -12.401 72 HG1 THR 9 HG1 THR 9 2.720 -10.513 -12.252 73 HG21 THR 9 HG21 THR 9 3.170 -7.258 -12.353 74 HG22 THR 9 HG22 THR 9 4.316 -7.200 -13.689 75 HG23 THR 9 HG23 THR 9 4.896 -7.439 -12.040 76 H CYS 10 H CYS 10 4.968 -10.598 -16.395 77 HA CYS 10 HA CYS 10 7.106 -10.541 -17.329 78 HB2 CYS 10 HB2 CYS 10 5.535 -8.088 -18.032 79 HB3 CYS 10 HB3 CYS 10 7.080 -8.419 -18.804 80 H LEU 11 H LEU 11 8.444 -7.930 -18.033 81 HA LEU 11 HA LEU 11 10.126 -7.877 -15.674 82 HB2 LEU 11 HB2 LEU 11 10.640 -7.790 -18.378 83 HB3 LEU 11 HB3 LEU 11 10.920 -6.136 -17.870 84 HG LEU 11 HG LEU 11 12.561 -6.881 -16.234 85 HD11 LEU 11 HD11 LEU 11 11.864 -9.638 -17.216 86 HD12 LEU 11 HD12 LEU 11 11.681 -9.002 -15.582 87 HD13 LEU 11 HD13 LEU 11 13.291 -9.260 -16.253 88 HD21 LEU 11 HD21 LEU 11 13.024 -8.034 -18.976 89 HD22 LEU 11 HD22 LEU 11 14.275 -7.715 -17.776 90 HD23 LEU 11 HD23 LEU 11 13.352 -6.379 -18.464 91 HA PRO 12 HA PRO 12 8.752 -4.123 -13.929 92 HB2 PRO 12 HB2 PRO 12 11.467 -3.380 -13.215 93 HB3 PRO 12 HB3 PRO 12 10.123 -3.830 -12.170 94 HG2 PRO 12 HG2 PRO 12 12.349 -5.359 -12.661 95 HG3 PRO 12 HG3 PRO 12 10.805 -5.960 -12.057 96 HD2 PRO 12 HD2 PRO 12 12.016 -6.216 -14.728 97 HD3 PRO 12 HD3 PRO 12 10.781 -7.224 -13.961 98 H CYS 13 H CYS 13 9.355 -1.813 -13.692 99 HA CYS 13 HA CYS 13 10.754 -0.647 -15.914 100 HB2 CYS 13 HB2 CYS 13 8.374 -1.065 -16.577 101 HB3 CYS 13 HB3 CYS 13 7.885 0.052 -15.313 102 H GLY 14 H GLY 14 9.747 1.907 -15.545 103 HA2 GLY 14 HA2 GLY 14 10.178 3.853 -14.350 104 HA3 GLY 14 HA3 GLY 14 9.691 2.887 -12.978 105 HA PRO 15 HA PRO 15 14.008 4.013 -12.131 106 HB2 PRO 15 HB2 PRO 15 13.647 4.790 -9.613 107 HB3 PRO 15 HB3 PRO 15 13.075 5.793 -10.956 108 HG2 PRO 15 HG2 PRO 15 11.506 3.850 -9.294 109 HG3 PRO 15 HG3 PRO 15 11.132 5.546 -9.668 110 HD2 PRO 15 HD2 PRO 15 10.084 3.485 -11.074 111 HD3 PRO 15 HD3 PRO 15 10.452 5.055 -11.823 112 H GLY 16 H GLY 16 14.471 1.717 -12.405 113 HA2 GLY 16 HA2 GLY 16 15.814 0.123 -11.171 114 HA3 GLY 16 HA3 GLY 16 14.732 0.345 -9.804 115 H GLY 17 H GLY 17 12.420 -0.288 -10.249 116 HA2 GLY 17 HA2 GLY 17 11.689 -2.008 -12.276 117 HA3 GLY 17 HA3 GLY 17 12.259 -3.003 -10.957 118 H LYS 18 H LYS 18 10.720 0.038 -10.612 119 HA LYS 18 HA LYS 18 8.845 -0.797 -8.773 120 HB2 LYS 18 HB2 LYS 18 9.565 1.626 -10.201 121 HB3 LYS 18 HB3 LYS 18 7.855 1.529 -9.816 122 HG2 LYS 18 HG2 LYS 18 9.524 2.688 -8.200 123 HG3 LYS 18 HG3 LYS 18 8.200 1.700 -7.574 124 HD2 LYS 18 HD2 LYS 18 9.696 -0.188 -7.391 125 HD3 LYS 18 HD3 LYS 18 11.016 0.758 -8.047 126 HE2 LYS 18 HE2 LYS 18 11.484 1.033 -5.837 127 HE3 LYS 18 HE3 LYS 18 10.337 2.356 -6.028 128 HZ1 LYS 18 HZ1 LYS 18 9.256 -0.267 -5.335 129 HZ2 LYS 18 HZ2 LYS 18 8.747 1.273 -4.855 130 HZ3 LYS 18 HZ3 LYS 18 10.099 0.566 -4.127 131 H GLY 19 H GLY 19 8.319 0.333 -12.079 132 HA2 GLY 19 HA2 GLY 19 5.789 -1.035 -12.094 133 HA3 GLY 19 HA3 GLY 19 6.355 0.111 -13.280 134 H ARG 20 H ARG 20 5.941 -1.035 -14.950 135 HA ARG 20 HA ARG 20 7.817 -2.962 -15.845 136 HB2 ARG 20 HB2 ARG 20 6.424 -4.848 -16.128 137 HB3 ARG 20 HB3 ARG 20 6.232 -4.328 -14.460 138 HG2 ARG 20 HG2 ARG 20 4.061 -4.057 -14.742 139 HG3 ARG 20 HG3 ARG 20 4.360 -3.023 -16.129 140 HD2 ARG 20 HD2 ARG 20 4.050 -4.653 -17.625 141 HD3 ARG 20 HD3 ARG 20 4.754 -5.863 -16.563 142 HE ARG 20 HE ARG 20 2.352 -5.180 -15.418 143 HH11 ARG 20 HH11 ARG 20 3.416 -6.549 -18.448 144 HH12 ARG 20 HH12 ARG 20 1.930 -7.394 -18.730 145 HH21 ARG 20 HH21 ARG 20 0.401 -6.277 -15.788 146 HH22 ARG 20 HH22 ARG 20 0.206 -7.216 -17.227 147 H CYS 21 H CYS 21 6.948 -3.826 -18.112 148 HA CYS 21 HA CYS 21 5.819 -1.469 -19.478 149 HB2 CYS 21 HB2 CYS 21 7.850 -1.777 -20.469 150 HB3 CYS 21 HB3 CYS 21 7.780 -3.505 -20.253 151 H PHE 22 H PHE 22 3.931 -1.679 -20.789 152 HA PHE 22 HA PHE 22 2.646 -4.319 -20.557 153 HB2 PHE 22 HB2 PHE 22 1.527 -1.528 -20.686 154 HB3 PHE 22 HB3 PHE 22 0.530 -2.947 -20.927 155 HD1 PHE 22 HD1 PHE 22 3.275 -2.108 -18.526 156 HD2 PHE 22 HD2 PHE 22 -0.788 -3.288 -19.100 157 HE1 PHE 22 HE1 PHE 22 2.953 -2.270 -16.088 158 HE2 PHE 22 HE2 PHE 22 -1.088 -3.466 -16.668 159 HZ PHE 22 HZ PHE 22 0.788 -2.959 -15.161 160 H GLY 23 H GLY 23 4.222 -2.522 -22.831 161 HA2 GLY 23 HA2 GLY 23 4.025 -3.963 -24.985 162 HA3 GLY 23 HA3 GLY 23 2.382 -3.371 -24.979 163 HA PRO 24 HA PRO 24 3.963 -0.091 -27.442 164 HB2 PRO 24 HB2 PRO 24 1.835 1.495 -27.589 165 HB3 PRO 24 HB3 PRO 24 1.767 -0.177 -28.153 166 HG2 PRO 24 HG2 PRO 24 0.635 1.031 -25.693 167 HG3 PRO 24 HG3 PRO 24 0.041 -0.323 -26.666 168 HD2 PRO 24 HD2 PRO 24 1.560 -0.449 -24.257 169 HD3 PRO 24 HD3 PRO 24 1.087 -1.802 -25.312 170 H SER 25 H SER 25 5.682 0.923 -26.346 171 HA SER 25 HA SER 25 6.770 2.583 -25.173 172 HB2 SER 25 HB2 SER 25 5.179 3.723 -27.090 173 HB3 SER 25 HB3 SER 25 4.606 4.555 -25.631 174 HG SER 25 HG SER 25 6.311 5.749 -26.244 175 H ILE 26 H ILE 26 4.441 1.060 -23.857 176 HA ILE 26 HA ILE 26 3.715 3.049 -21.855 177 HB ILE 26 HB ILE 26 2.090 1.526 -23.258 178 HG12 ILE 26 HG12 ILE 26 1.662 1.960 -20.304 179 HG13 ILE 26 HG13 ILE 26 1.535 3.242 -21.535 180 HG21 ILE 26 HG21 ILE 26 1.424 -0.457 -22.067 181 HG22 ILE 26 HG22 ILE 26 2.628 -0.125 -20.810 182 HG23 ILE 26 HG23 ILE 26 3.148 -0.555 -22.444 183 HD11 ILE 26 HD11 ILE 26 -0.542 2.585 -22.075 184 HD12 ILE 26 HD12 ILE 26 -0.492 1.491 -20.695 185 HD13 ILE 26 HD13 ILE 26 -0.004 0.918 -22.298 186 H CYS 27 H CYS 27 3.509 2.438 -19.700 187 HA CYS 27 HA CYS 27 4.814 0.154 -18.645 188 HB2 CYS 27 HB2 CYS 27 6.166 2.699 -18.949 189 HB3 CYS 27 HB3 CYS 27 6.111 2.166 -17.286 190 H CYS 28 H CYS 28 4.421 -0.005 -16.347 191 HA CYS 28 HA CYS 28 2.630 1.972 -15.221 192 HB2 CYS 28 HB2 CYS 28 1.564 -0.178 -16.442 193 HB3 CYS 28 HB3 CYS 28 1.783 -0.826 -14.820 194 H GLY 29 H GLY 29 3.717 2.556 -13.394 195 HA2 GLY 29 HA2 GLY 29 5.005 0.478 -11.885 196 HA3 GLY 29 HA3 GLY 29 5.260 2.163 -11.717 197 H ASP 30 H ASP 30 4.667 0.428 -9.494 198 HA ASP 30 HA ASP 30 1.909 0.659 -8.863 199 HB2 ASP 30 HB2 ASP 30 3.902 -0.894 -7.882 200 HB3 ASP 30 HB3 ASP 30 3.836 0.347 -6.635 201 H GLU 31 H GLU 31 4.651 1.982 -7.078 202 HA GLU 31 HA GLU 31 3.199 4.263 -6.151 203 HB2 GLU 31 HB2 GLU 31 5.353 4.868 -5.133 204 HB3 GLU 31 HB3 GLU 31 4.968 3.182 -4.805 205 HG2 GLU 31 HG2 GLU 31 6.803 2.464 -5.842 206 HG3 GLU 31 HG3 GLU 31 6.486 3.460 -7.275 207 H LEU 32 H LEU 32 4.382 3.381 -8.977 208 HA LEU 32 HA LEU 32 5.644 5.839 -9.829 209 HB2 LEU 32 HB2 LEU 32 6.261 3.254 -9.938 210 HB3 LEU 32 HB3 LEU 32 5.441 3.436 -11.444 211 HG LEU 32 HG LEU 32 8.104 4.135 -10.701 212 HD11 LEU 32 HD11 LEU 32 6.835 2.663 -12.503 213 HD12 LEU 32 HD12 LEU 32 8.461 3.320 -12.741 214 HD13 LEU 32 HD13 LEU 32 7.080 4.146 -13.448 215 HD21 LEU 32 HD21 LEU 32 6.523 6.397 -11.240 216 HD22 LEU 32 HD22 LEU 32 7.370 6.021 -12.738 217 HD23 LEU 32 HD23 LEU 32 8.282 6.290 -11.257 218 H GLY 33 H GLY 33 2.608 4.425 -10.038 219 HA2 GLY 33 HA2 GLY 33 0.733 5.149 -11.222 220 HA3 GLY 33 HA3 GLY 33 1.773 6.315 -11.993 221 H CYS 34 H CYS 34 0.801 5.953 -13.996 222 HA CYS 34 HA CYS 34 1.796 3.568 -15.343 223 HB2 CYS 34 HB2 CYS 34 -0.818 3.671 -14.634 224 HB3 CYS 34 HB3 CYS 34 -0.886 4.456 -16.206 225 H PHE 35 H PHE 35 3.091 4.334 -16.861 226 HA PHE 35 HA PHE 35 2.459 6.911 -18.128 227 HB2 PHE 35 HB2 PHE 35 5.031 5.365 -18.412 228 HB3 PHE 35 HB3 PHE 35 4.752 7.077 -18.700 229 HD1 PHE 35 HD1 PHE 35 4.680 4.535 -15.995 230 HD2 PHE 35 HD2 PHE 35 5.286 8.610 -17.059 231 HE1 PHE 35 HE1 PHE 35 5.392 5.021 -13.699 232 HE2 PHE 35 HE2 PHE 35 6.009 9.099 -14.758 233 HZ PHE 35 HZ PHE 35 6.068 7.298 -13.080 234 H VAL 36 H VAL 36 2.342 7.161 -20.322 235 HA VAL 36 HA VAL 36 2.603 4.765 -21.978 236 HB VAL 36 HB VAL 36 0.432 6.727 -22.620 237 HG11 VAL 36 HG11 VAL 36 -0.205 5.179 -24.182 238 HG12 VAL 36 HG12 VAL 36 0.404 3.815 -23.241 239 HG13 VAL 36 HG13 VAL 36 1.538 4.850 -24.128 240 HG21 VAL 36 HG21 VAL 36 0.173 5.641 -20.272 241 HG22 VAL 36 HG22 VAL 36 -0.170 4.174 -21.178 242 HG23 VAL 36 HG23 VAL 36 -1.185 5.598 -21.392 243 H GLY 37 H GLY 37 4.140 5.138 -23.275 244 HA2 GLY 37 HA2 GLY 37 5.521 6.183 -24.803 245 HA3 GLY 37 HA3 GLY 37 4.189 7.279 -25.135 246 H THR 38 H THR 38 6.012 6.712 -22.159 247 HA THR 38 HA THR 38 7.053 9.460 -22.265 248 HB THR 38 HB THR 38 5.971 8.183 -19.753 249 HG1 THR 38 HG1 THR 38 4.040 8.870 -20.221 250 HG21 THR 38 HG21 THR 38 6.037 11.113 -20.194 251 HG22 THR 38 HG22 THR 38 7.538 10.287 -19.788 252 HG23 THR 38 HG23 THR 38 6.158 10.183 -18.700 253 H ALA 39 H ALA 39 8.909 9.792 -20.750 254 HA ALA 39 HA ALA 39 11.023 8.122 -21.074 255 HB1 ALA 39 HB1 ALA 39 11.667 10.092 -20.113 256 HB2 ALA 39 HB2 ALA 39 11.709 9.059 -18.682 257 HB3 ALA 39 HB3 ALA 39 10.318 10.103 -18.977 258 H GLU 40 H GLU 40 8.892 8.114 -18.275 259 HA GLU 40 HA GLU 40 9.961 5.829 -17.009 260 HB2 GLU 40 HB2 GLU 40 7.768 7.656 -16.579 261 HB3 GLU 40 HB3 GLU 40 7.309 6.003 -16.218 262 HG2 GLU 40 HG2 GLU 40 8.139 7.106 -14.234 263 HG3 GLU 40 HG3 GLU 40 9.204 5.786 -14.707 264 H ALA 41 H ALA 41 8.876 5.735 -19.946 265 HA ALA 41 HA ALA 41 7.542 3.143 -19.653 266 HB1 ALA 41 HB1 ALA 41 5.864 3.695 -21.138 267 HB2 ALA 41 HB2 ALA 41 6.784 5.056 -21.777 268 HB3 ALA 41 HB3 ALA 41 6.057 5.162 -20.175 269 H LEU 42 H LEU 42 10.122 4.713 -20.953 270 HA LEU 42 HA LEU 42 10.267 3.539 -23.512 271 HB2 LEU 42 HB2 LEU 42 12.647 4.227 -23.424 272 HB3 LEU 42 HB3 LEU 42 11.513 5.525 -23.127 273 HG LEU 42 HG LEU 42 12.477 6.019 -21.181 274 HD11 LEU 42 HD11 LEU 42 12.545 4.632 -19.317 275 HD12 LEU 42 HD12 LEU 42 12.730 3.173 -20.283 276 HD13 LEU 42 HD13 LEU 42 11.180 4.013 -20.237 277 HD21 LEU 42 HD21 LEU 42 14.520 5.632 -22.316 278 HD22 LEU 42 HD22 LEU 42 14.411 3.892 -22.058 279 HD23 LEU 42 HD23 LEU 42 14.697 4.969 -20.691 280 H ARG 43 H ARG 43 10.580 2.313 -20.419 281 HA ARG 43 HA ARG 43 12.674 0.510 -20.560 282 HB2 ARG 43 HB2 ARG 43 10.697 1.191 -18.769 283 HB3 ARG 43 HB3 ARG 43 10.436 -0.510 -19.108 284 HG2 ARG 43 HG2 ARG 43 11.902 -0.134 -17.165 285 HG3 ARG 43 HG3 ARG 43 12.700 -1.033 -18.454 286 HD2 ARG 43 HD2 ARG 43 14.344 0.465 -18.319 287 HD3 ARG 43 HD3 ARG 43 13.231 1.615 -19.056 288 HE ARG 43 HE ARG 43 13.151 1.353 -16.155 289 HH11 ARG 43 HH11 ARG 43 14.215 3.180 -18.938 290 HH12 ARG 43 HH12 ARG 43 14.503 4.624 -18.032 291 HH21 ARG 43 HH21 ARG 43 13.552 3.259 -14.968 292 HH22 ARG 43 HH22 ARG 43 14.133 4.669 -15.786 293 H CYS 44 H CYS 44 9.863 0.447 -22.397 294 HA CYS 44 HA CYS 44 9.396 -2.301 -22.538 295 HB2 CYS 44 HB2 CYS 44 8.763 -0.043 -24.329 296 HB3 CYS 44 HB3 CYS 44 8.424 -1.681 -24.845 297 H GLN 45 H GLN 45 12.015 -0.473 -23.520 298 HA GLN 45 HA GLN 45 12.861 -1.857 -25.801 299 HB2 GLN 45 HB2 GLN 45 13.951 0.074 -23.914 300 HB3 GLN 45 HB3 GLN 45 15.163 -1.069 -24.463 301 HG2 GLN 45 HG2 GLN 45 15.432 0.213 -26.247 302 HG3 GLN 45 HG3 GLN 45 13.833 -0.307 -26.776 303 HE21 GLN 45 HE21 GLN 45 15.237 1.994 -24.458 304 HE22 GLN 45 HE22 GLN 45 14.195 3.309 -24.874 305 H GLU 46 H GLU 46 12.710 -2.475 -22.522 306 HA GLU 46 HA GLU 46 14.684 -4.535 -22.256 307 HB2 GLU 46 HB2 GLU 46 13.769 -4.999 -20.114 308 HB3 GLU 46 HB3 GLU 46 13.593 -3.263 -20.328 309 HG2 GLU 46 HG2 GLU 46 11.549 -3.832 -19.464 310 HG3 GLU 46 HG3 GLU 46 11.221 -3.884 -21.194 311 H GLU 47 H GLU 47 11.466 -4.307 -23.466 312 HA GLU 47 HA GLU 47 10.969 -7.158 -23.458 313 HB2 GLU 47 HB2 GLU 47 9.492 -4.726 -24.165 314 HB3 GLU 47 HB3 GLU 47 9.178 -6.073 -25.247 315 HG2 GLU 47 HG2 GLU 47 8.930 -7.337 -22.909 316 HG3 GLU 47 HG3 GLU 47 8.477 -5.708 -22.406 317 H ASN 48 H ASN 48 13.159 -5.477 -25.088 318 HA ASN 48 HA ASN 48 12.729 -6.755 -27.649 319 HB2 ASN 48 HB2 ASN 48 13.076 -4.305 -27.654 320 HB3 ASN 48 HB3 ASN 48 14.659 -4.553 -26.922 321 HD21 ASN 48 HD21 ASN 48 13.158 -3.930 -29.728 322 HD22 ASN 48 HD22 ASN 48 14.311 -4.573 -30.843 323 H TYR 49 H TYR 49 14.698 -6.850 -24.828 324 HA TYR 49 HA TYR 49 17.042 -7.977 -25.949 325 HB2 TYR 49 HB2 TYR 49 15.888 -8.101 -23.155 326 HB3 TYR 49 HB3 TYR 49 17.454 -8.794 -23.586 327 HD1 TYR 49 HD1 TYR 49 18.801 -6.919 -25.189 328 HD2 TYR 49 HD2 TYR 49 16.114 -6.135 -21.984 329 HE1 TYR 49 HE1 TYR 49 19.857 -4.724 -24.848 330 HE2 TYR 49 HE2 TYR 49 17.163 -3.938 -21.636 331 HH TYR 49 HH TYR 49 18.562 -2.278 -23.319 332 H LEU 50 H LEU 50 14.879 -9.733 -23.747 333 HA LEU 50 HA LEU 50 15.269 -12.131 -25.403 334 HB2 LEU 50 HB2 LEU 50 15.578 -11.735 -22.674 335 HB3 LEU 50 HB3 LEU 50 14.022 -12.533 -22.795 336 HG LEU 50 HG LEU 50 15.124 -14.347 -24.118 337 HD11 LEU 50 HD11 LEU 50 17.647 -12.928 -23.278 338 HD12 LEU 50 HD12 LEU 50 17.041 -13.081 -24.927 339 HD13 LEU 50 HD13 LEU 50 17.559 -14.515 -24.041 340 HD21 LEU 50 HD21 LEU 50 15.469 -15.492 -22.221 341 HD22 LEU 50 HD22 LEU 50 14.956 -14.007 -21.420 342 HD23 LEU 50 HD23 LEU 50 16.673 -14.345 -21.631 343 HA PRO 51 HA PRO 51 11.054 -10.808 -26.768 344 HB2 PRO 51 HB2 PRO 51 11.718 -13.384 -28.164 345 HB3 PRO 51 HB3 PRO 51 10.823 -11.982 -28.772 346 HG2 PRO 51 HG2 PRO 51 13.358 -12.248 -29.420 347 HG3 PRO 51 HG3 PRO 51 12.741 -10.661 -28.914 348 HD2 PRO 51 HD2 PRO 51 14.455 -12.586 -27.415 349 HD3 PRO 51 HD3 PRO 51 14.434 -10.811 -27.371 350 H SER 52 H SER 52 10.053 -11.210 -24.755 351 HA SER 52 HA SER 52 8.642 -13.742 -24.663 352 HB2 SER 52 HB2 SER 52 10.388 -12.790 -22.381 353 HB3 SER 52 HB3 SER 52 9.178 -14.065 -22.236 354 HG SER 52 HG SER 52 10.408 -15.391 -23.378 355 HA PRO 53 HA PRO 53 6.329 -9.827 -23.363 356 HB2 PRO 53 HB2 PRO 53 4.524 -10.573 -25.564 357 HB3 PRO 53 HB3 PRO 53 5.275 -9.015 -25.213 358 HG2 PRO 53 HG2 PRO 53 6.045 -10.526 -27.300 359 HG3 PRO 53 HG3 PRO 53 7.188 -9.520 -26.392 360 HD2 PRO 53 HD2 PRO 53 6.716 -12.474 -26.231 361 HD3 PRO 53 HD3 PRO 53 8.245 -11.574 -26.195 362 H CYS 54 H CYS 54 5.944 -11.343 -21.545 363 HA CYS 54 HA CYS 54 3.878 -13.267 -21.769 364 HB2 CYS 54 HB2 CYS 54 4.359 -13.794 -19.524 365 HB3 CYS 54 HB3 CYS 54 5.902 -13.381 -20.254 366 H GLN 55 H GLN 55 2.373 -13.131 -19.598 367 HA GLN 55 HA GLN 55 0.300 -12.325 -19.048 368 HB2 GLN 55 HB2 GLN 55 1.530 -11.344 -17.309 369 HB3 GLN 55 HB3 GLN 55 2.267 -10.151 -18.367 370 HG2 GLN 55 HG2 GLN 55 0.485 -8.752 -18.248 371 HG3 GLN 55 HG3 GLN 55 -0.680 -10.062 -18.067 372 HE21 GLN 55 HE21 GLN 55 -1.657 -10.024 -16.177 373 HE22 GLN 55 HE22 GLN 55 -0.955 -9.550 -14.672 374 H SER 56 H SER 56 -0.627 -12.350 -21.143 375 HA SER 56 HA SER 56 -0.492 -10.356 -23.039 376 HB2 SER 56 HB2 SER 56 -3.004 -11.251 -23.448 377 HB3 SER 56 HB3 SER 56 -1.566 -12.147 -23.937 378 HG SER 56 HG SER 56 -2.034 -13.615 -22.515 379 H GLY 57 H GLY 57 -3.640 -10.762 -21.495 380 HA2 GLY 57 HA2 GLY 57 -3.787 -7.828 -21.273 381 HA3 GLY 57 HA3 GLY 57 -5.167 -8.905 -21.439 382 H GLN 58 H GLN 58 -4.695 -6.824 -19.459 383 HA GLN 58 HA GLN 58 -4.445 -8.409 -17.003 384 HB2 GLN 58 HB2 GLN 58 -3.720 -5.693 -17.775 385 HB3 GLN 58 HB3 GLN 58 -4.569 -5.801 -16.240 386 HG2 GLN 58 HG2 GLN 58 -2.574 -7.845 -16.390 387 HG3 GLN 58 HG3 GLN 58 -1.857 -6.281 -16.752 388 HE21 GLN 58 HE21 GLN 58 -3.624 -8.135 -14.382 389 HE22 GLN 58 HE22 GLN 58 -3.230 -7.146 -13.021 390 H LYS 59 H LYS 59 -6.258 -8.915 -15.970 391 HA LYS 59 HA LYS 59 -8.706 -8.811 -16.463 392 HB2 LYS 59 HB2 LYS 59 -9.299 -8.374 -14.037 393 HB3 LYS 59 HB3 LYS 59 -8.125 -9.645 -14.351 394 HG2 LYS 59 HG2 LYS 59 -6.881 -7.049 -13.954 395 HG3 LYS 59 HG3 LYS 59 -7.839 -7.571 -12.568 396 HD2 LYS 59 HD2 LYS 59 -6.304 -9.780 -13.557 397 HD3 LYS 59 HD3 LYS 59 -5.244 -8.394 -13.302 398 HE2 LYS 59 HE2 LYS 59 -5.184 -9.176 -11.188 399 HE3 LYS 59 HE3 LYS 59 -6.700 -8.286 -11.044 400 HZ1 LYS 59 HZ1 LYS 59 -7.414 -10.276 -10.300 401 HZ2 LYS 59 HZ2 LYS 59 -6.233 -11.156 -11.132 402 HZ3 LYS 59 HZ3 LYS 59 -7.605 -10.601 -11.950 403 HA PRO 60 HA PRO 60 -9.509 -4.504 -17.723 404 HB2 PRO 60 HB2 PRO 60 -12.057 -5.933 -18.274 405 HB3 PRO 60 HB3 PRO 60 -11.184 -4.775 -19.283 406 HG2 PRO 60 HG2 PRO 60 -11.117 -7.431 -19.745 407 HG3 PRO 60 HG3 PRO 60 -9.750 -6.362 -20.102 408 HD2 PRO 60 HD2 PRO 60 -10.037 -8.384 -17.981 409 HD3 PRO 60 HD3 PRO 60 -8.574 -7.655 -18.668 410 H CYS 61 H CYS 61 -11.263 -2.928 -16.902 411 HA CYS 61 HA CYS 61 -12.812 -3.969 -14.735 412 HB2 CYS 61 HB2 CYS 61 -11.976 -1.769 -13.512 413 HB3 CYS 61 HB3 CYS 61 -11.187 -3.321 -13.312 414 H GLY 62 H GLY 62 -14.472 -2.831 -14.165 415 HA2 GLY 62 HA2 GLY 62 -16.101 -1.624 -15.841 416 HA3 GLY 62 HA3 GLY 62 -16.129 -1.183 -14.148 417 H SER 63 H SER 63 -13.263 -0.002 -14.941 418 HA SER 63 HA SER 63 -14.378 2.557 -15.632 419 HB2 SER 63 HB2 SER 63 -12.765 2.390 -13.745 420 HB3 SER 63 HB3 SER 63 -11.534 1.912 -14.898 421 HG SER 63 HG SER 63 -12.386 4.377 -14.271 422 H GLY 64 H GLY 64 -14.520 0.610 -17.546 423 HA2 GLY 64 HA2 GLY 64 -14.043 0.060 -19.711 424 HA3 GLY 64 HA3 GLY 64 -13.841 1.778 -19.877 425 H GLY 65 H GLY 65 -11.988 -1.046 -18.752 426 HA2 GLY 65 HA2 GLY 65 -10.013 -1.074 -20.529 427 HA3 GLY 65 HA3 GLY 65 -9.534 0.202 -19.447 428 H ARG 66 H ARG 66 -7.710 -1.189 -18.982 429 HA ARG 66 HA ARG 66 -8.376 -3.459 -17.311 430 HB2 ARG 66 HB2 ARG 66 -5.545 -2.976 -17.923 431 HB3 ARG 66 HB3 ARG 66 -6.422 -4.473 -17.673 432 HG2 ARG 66 HG2 ARG 66 -6.543 -2.750 -20.139 433 HG3 ARG 66 HG3 ARG 66 -5.726 -4.308 -19.986 434 HD2 ARG 66 HD2 ARG 66 -8.037 -5.207 -19.296 435 HD3 ARG 66 HD3 ARG 66 -8.666 -3.716 -19.989 436 HE ARG 66 HE ARG 66 -7.429 -5.931 -21.422 437 HH11 ARG 66 HH11 ARG 66 -8.766 -2.704 -21.542 438 HH12 ARG 66 HH12 ARG 66 -9.010 -2.740 -23.253 439 HH21 ARG 66 HH21 ARG 66 -7.754 -5.971 -23.671 440 HH22 ARG 66 HH22 ARG 66 -8.437 -4.589 -24.463 441 H CYS 67 H CYS 67 -7.185 -3.919 -15.281 442 HA CYS 67 HA CYS 67 -7.144 -1.546 -13.718 443 HB2 CYS 67 HB2 CYS 67 -7.977 -3.691 -12.870 444 HB3 CYS 67 HB3 CYS 67 -6.385 -4.377 -13.086 445 H ALA 68 H ALA 68 -5.380 -1.284 -15.722 446 HA ALA 68 HA ALA 68 -2.872 -1.918 -15.849 447 HB1 ALA 68 HB1 ALA 68 -2.421 0.709 -15.857 448 HB2 ALA 68 HB2 ALA 68 -4.191 0.715 -15.882 449 HB3 ALA 68 HB3 ALA 68 -3.285 -0.129 -17.146 450 H ALA 69 H ALA 69 -2.751 1.044 -14.011 451 HA ALA 69 HA ALA 69 -0.646 0.223 -12.418 452 HB1 ALA 69 HB1 ALA 69 -1.486 2.548 -13.420 453 HB2 ALA 69 HB2 ALA 69 -0.342 2.409 -12.084 454 HB3 ALA 69 HB3 ALA 69 -2.047 2.708 -11.758 455 H ALA 70 H ALA 70 -1.215 1.818 -10.236 456 HA ALA 70 HA ALA 70 -2.421 -0.070 -8.391 457 HB1 ALA 70 HB1 ALA 70 -0.780 2.299 -8.051 458 HB2 ALA 70 HB2 ALA 70 -1.150 1.032 -6.881 459 HB3 ALA 70 HB3 ALA 70 -2.266 2.397 -7.090 460 H GLY 71 H GLY 71 -4.554 -0.141 -9.149 461 HA2 GLY 71 HA2 GLY 71 -6.671 0.662 -9.565 462 HA3 GLY 71 HA3 GLY 71 -6.260 1.945 -8.450 463 H ILE 72 H ILE 72 -5.948 0.897 -11.729 464 HA ILE 72 HA ILE 72 -6.315 3.451 -12.818 465 HB ILE 72 HB ILE 72 -3.608 2.187 -12.920 466 HG12 ILE 72 HG12 ILE 72 -4.469 4.355 -11.724 467 HG13 ILE 72 HG13 ILE 72 -2.851 4.250 -12.402 468 HG21 ILE 72 HG21 ILE 72 -5.006 3.327 -15.273 469 HG22 ILE 72 HG22 ILE 72 -3.719 2.136 -15.189 470 HG23 ILE 72 HG23 ILE 72 -3.339 3.838 -15.009 471 HD11 ILE 72 HD11 ILE 72 -3.244 5.831 -13.926 472 HD12 ILE 72 HD12 ILE 72 -4.604 6.265 -12.897 473 HD13 ILE 72 HD13 ILE 72 -4.859 5.218 -14.308 474 H CYS 73 H CYS 73 -7.749 2.937 -14.322 475 HA CYS 73 HA CYS 73 -7.574 0.297 -15.433 476 HB2 CYS 73 HB2 CYS 73 -9.667 1.139 -14.225 477 HB3 CYS 73 HB3 CYS 73 -10.016 2.024 -15.681 478 H CYS 74 H CYS 74 -6.190 0.457 -16.912 479 HA CYS 74 HA CYS 74 -6.518 2.467 -19.018 480 HB2 CYS 74 HB2 CYS 74 -4.815 3.305 -17.660 481 HB3 CYS 74 HB3 CYS 74 -4.140 1.734 -17.365 482 H SER 75 H SER 75 -5.372 1.935 -20.939 483 HA SER 75 HA SER 75 -4.866 -0.929 -21.249 484 HB2 SER 75 HB2 SER 75 -6.148 0.980 -23.219 485 HB3 SER 75 HB3 SER 75 -5.857 -0.724 -23.515 486 HG SER 75 HG SER 75 -7.483 -1.251 -22.238 487 HA PRO 76 HA PRO 76 -1.322 0.769 -23.508 488 HB2 PRO 76 HB2 PRO 76 -1.558 0.708 -26.216 489 HB3 PRO 76 HB3 PRO 76 -1.311 -0.743 -25.241 490 HG2 PRO 76 HG2 PRO 76 -3.670 0.107 -26.717 491 HG3 PRO 76 HG3 PRO 76 -3.309 -1.467 -25.995 492 HD2 PRO 76 HD2 PRO 76 -5.007 0.650 -24.976 493 HD3 PRO 76 HD3 PRO 76 -4.773 -0.999 -24.372 494 H ASP 77 H ASP 77 -4.267 2.056 -24.837 495 HA ASP 77 HA ASP 77 -3.357 4.329 -26.150 496 HB2 ASP 77 HB2 ASP 77 -5.820 3.045 -25.653 497 HB3 ASP 77 HB3 ASP 77 -6.020 4.721 -25.152 498 H GLY 78 H GLY 78 -5.110 4.270 -23.020 499 HA2 GLY 78 HA2 GLY 78 -3.262 6.201 -21.998 500 HA3 GLY 78 HA3 GLY 78 -4.853 6.869 -22.223 501 H CYS 79 H CYS 79 -3.461 6.591 -19.666 502 HA CYS 79 HA CYS 79 -5.192 4.598 -18.427 503 HB2 CYS 79 HB2 CYS 79 -2.795 5.712 -17.095 504 HB3 CYS 79 HB3 CYS 79 -3.606 4.211 -16.772 505 H GLU 80 H GLU 80 -6.379 4.997 -16.760 506 HA GLU 80 HA GLU 80 -6.193 7.605 -15.461 507 HB2 GLU 80 HB2 GLU 80 -8.654 7.874 -15.577 508 HB3 GLU 80 HB3 GLU 80 -7.881 7.902 -17.155 509 HG2 GLU 80 HG2 GLU 80 -8.762 5.886 -17.782 510 HG3 GLU 80 HG3 GLU 80 -8.933 5.319 -16.123 511 H GLU 81 H GLU 81 -6.244 7.452 -13.227 512 HA GLU 81 HA GLU 81 -6.215 5.100 -11.936 513 HB2 GLU 81 HB2 GLU 81 -7.050 6.532 -9.921 514 HB3 GLU 81 HB3 GLU 81 -5.508 6.883 -10.668 515 HG2 GLU 81 HG2 GLU 81 -7.339 8.405 -12.077 516 HG3 GLU 81 HG3 GLU 81 -7.795 8.533 -10.396 517 H ASP 82 H ASP 82 -7.609 3.561 -11.600 518 HA ASP 82 HA ASP 82 -10.409 4.146 -11.866 519 HB2 ASP 82 HB2 ASP 82 -10.677 1.705 -12.214 520 HB3 ASP 82 HB3 ASP 82 -9.605 2.480 -13.375 521 HA PRO 83 HA PRO 83 -10.452 4.100 -7.363 522 HB2 PRO 83 HB2 PRO 83 -13.292 4.590 -8.171 523 HB3 PRO 83 HB3 PRO 83 -12.333 5.435 -6.947 524 HG2 PRO 83 HG2 PRO 83 -12.771 6.595 -9.258 525 HG3 PRO 83 HG3 PRO 83 -11.139 6.634 -8.564 526 HD2 PRO 83 HD2 PRO 83 -12.225 4.874 -10.724 527 HD3 PRO 83 HD3 PRO 83 -10.664 5.691 -10.637 528 H ALA 84 H ALA 84 -11.946 2.345 -9.783 529 HA ALA 84 HA ALA 84 -13.479 0.556 -8.283 530 HB1 ALA 84 HB1 ALA 84 -12.850 1.151 -10.971 531 HB2 ALA 84 HB2 ALA 84 -14.110 0.059 -10.371 532 HB3 ALA 84 HB3 ALA 84 -12.491 -0.559 -10.713 533 H CYS 85 H CYS 85 -10.140 0.782 -9.275 534 HA CYS 85 HA CYS 85 -9.620 -1.816 -8.205 535 HB2 CYS 85 HB2 CYS 85 -8.739 -0.579 -10.528 536 HB3 CYS 85 HB3 CYS 85 -7.336 -0.801 -9.493 537 H ASP 86 H ASP 86 -8.635 1.543 -7.218 538 HA ASP 86 HA ASP 86 -7.584 0.413 -4.827 539 HB2 ASP 86 HB2 ASP 86 -6.010 -0.462 -6.650 540 HB3 ASP 86 HB3 ASP 86 -5.356 1.174 -6.641 541 HA PRO 87 HA PRO 87 -5.675 4.666 -4.622 542 HB2 PRO 87 HB2 PRO 87 -5.474 6.135 -6.946 543 HB3 PRO 87 HB3 PRO 87 -4.348 4.898 -6.417 544 HG2 PRO 87 HG2 PRO 87 -5.970 4.752 -8.689 545 HG3 PRO 87 HG3 PRO 87 -5.113 3.420 -7.900 546 HD2 PRO 87 HD2 PRO 87 -7.954 4.289 -7.481 547 HD3 PRO 87 HD3 PRO 87 -7.346 2.652 -7.754 548 H GLU 88 H GLU 88 -7.409 5.987 -7.272 549 HA GLU 88 HA GLU 88 -8.362 8.222 -5.803 550 HB2 GLU 88 HB2 GLU 88 -8.027 8.019 -8.379 551 HB3 GLU 88 HB3 GLU 88 -9.583 7.200 -8.363 552 HG2 GLU 88 HG2 GLU 88 -10.442 9.295 -7.132 553 HG3 GLU 88 HG3 GLU 88 -8.971 10.052 -7.737 554 H ALA 89 H ALA 89 -8.972 5.162 -5.798 555 HA ALA 89 HA ALA 89 -11.606 4.546 -5.846 556 HB1 ALA 89 HB1 ALA 89 -10.888 2.457 -5.300 557 HB2 ALA 89 HB2 ALA 89 -9.647 3.056 -4.208 558 HB3 ALA 89 HB3 ALA 89 -9.430 3.199 -5.952 559 H ALA 90 H ALA 90 -12.226 3.034 -4.206 560 HA ALA 90 HA ALA 90 -13.106 4.194 -1.723 561 HB1 ALA 90 HB1 ALA 90 -14.159 1.958 -3.458 562 HB2 ALA 90 HB2 ALA 90 -14.873 3.579 -3.354 563 HB3 ALA 90 HB3 ALA 90 -14.905 2.509 -1.948 564 H PHE 91 H PHE 91 -13.761 1.662 -0.612 565 HA PHE 91 HA PHE 91 -11.126 0.621 -0.022 566 HB2 PHE 91 HB2 PHE 91 -13.136 0.693 1.614 567 HB3 PHE 91 HB3 PHE 91 -13.746 -0.700 0.725 568 HD1 PHE 91 HD1 PHE 91 -11.178 0.518 3.019 569 HD2 PHE 91 HD2 PHE 91 -12.644 -2.849 0.867 570 HE1 PHE 91 HE1 PHE 91 -9.770 -0.966 4.388 571 HE2 PHE 91 HE2 PHE 91 -11.241 -4.339 2.234 572 HZ PHE 91 HZ PHE 91 -9.801 -3.398 3.996 573 H SER 92 H SER 92 -10.898 0.405 -2.389 574 HA SER 92 HA SER 92 -12.123 -1.998 -3.507 575 HB2 SER 92 HB2 SER 92 -12.402 -0.557 -5.231 576 HB3 SER 92 HB3 SER 92 -11.165 0.572 -4.651 577 HG SER 92 HG SER 92 -9.620 -0.686 -5.604 Start of MODEL 21 1 H1 ALA 1 H1 ALA 1 6.501 -17.030 -24.344 2 H2 ALA 1 H2 ALA 1 5.340 -17.797 -25.348 3 H3 ALA 1 H3 ALA 1 6.933 -17.530 -25.926 4 HA ALA 1 HA ALA 1 5.868 -19.650 -24.381 5 HB1 ALA 1 HB1 ALA 1 7.396 -19.426 -26.570 6 HB2 ALA 1 HB2 ALA 1 7.384 -20.860 -25.544 7 HB3 ALA 1 HB3 ALA 1 8.654 -19.651 -25.356 8 H VAL 2 H VAL 2 9.041 -18.045 -24.208 9 HA VAL 2 HA VAL 2 9.535 -19.043 -21.567 10 HB VAL 2 HB VAL 2 11.097 -16.818 -22.863 11 HG11 VAL 2 HG11 VAL 2 12.848 -18.574 -21.695 12 HG12 VAL 2 HG12 VAL 2 11.458 -18.649 -20.615 13 HG13 VAL 2 HG13 VAL 2 12.230 -17.099 -20.952 14 HG21 VAL 2 HG21 VAL 2 12.424 -18.426 -24.067 15 HG22 VAL 2 HG22 VAL 2 10.734 -18.633 -24.525 16 HG23 VAL 2 HG23 VAL 2 11.486 -19.761 -23.399 17 H LEU 3 H LEU 3 10.296 -17.360 -19.855 18 HA LEU 3 HA LEU 3 8.072 -15.827 -19.103 19 HB2 LEU 3 HB2 LEU 3 10.770 -16.448 -18.044 20 HB3 LEU 3 HB3 LEU 3 9.956 -15.051 -17.370 21 HG LEU 3 HG LEU 3 9.187 -16.634 -15.908 22 HD11 LEU 3 HD11 LEU 3 7.317 -15.782 -17.470 23 HD12 LEU 3 HD12 LEU 3 6.975 -17.115 -16.355 24 HD13 LEU 3 HD13 LEU 3 7.311 -17.443 -18.059 25 HD21 LEU 3 HD21 LEU 3 9.522 -18.616 -18.146 26 HD22 LEU 3 HD22 LEU 3 8.789 -19.030 -16.596 27 HD23 LEU 3 HD23 LEU 3 10.463 -18.488 -16.661 28 H ASP 4 H ASP 4 8.527 -13.674 -18.032 29 HA ASP 4 HA ASP 4 8.935 -11.874 -20.123 30 HB2 ASP 4 HB2 ASP 4 7.286 -11.796 -18.112 31 HB3 ASP 4 HB3 ASP 4 8.619 -10.969 -17.319 32 H LEU 5 H LEU 5 10.656 -12.528 -17.131 33 HA LEU 5 HA LEU 5 12.743 -10.743 -17.851 34 HB2 LEU 5 HB2 LEU 5 13.698 -11.759 -15.659 35 HB3 LEU 5 HB3 LEU 5 12.427 -10.603 -15.634 36 HG LEU 5 HG LEU 5 11.242 -13.167 -15.704 37 HD11 LEU 5 HD11 LEU 5 13.003 -14.193 -14.730 38 HD12 LEU 5 HD12 LEU 5 12.101 -13.669 -13.321 39 HD13 LEU 5 HD13 LEU 5 13.514 -12.763 -13.847 40 HD21 LEU 5 HD21 LEU 5 11.342 -11.079 -13.525 41 HD22 LEU 5 HD22 LEU 5 10.110 -12.319 -13.748 42 HD23 LEU 5 HD23 LEU 5 10.260 -11.012 -14.916 43 H ASP 6 H ASP 6 12.680 -13.914 -16.563 44 HA ASP 6 HA ASP 6 14.175 -15.078 -18.664 45 HB2 ASP 6 HB2 ASP 6 15.451 -14.073 -16.368 46 HB3 ASP 6 HB3 ASP 6 15.440 -15.824 -16.215 47 H VAL 7 H VAL 7 13.449 -15.712 -15.292 48 HA VAL 7 HA VAL 7 12.103 -18.147 -16.134 49 HB VAL 7 HB VAL 7 12.702 -19.176 -14.013 50 HG11 VAL 7 HG11 VAL 7 15.204 -19.214 -14.417 51 HG12 VAL 7 HG12 VAL 7 14.916 -18.027 -15.690 52 HG13 VAL 7 HG13 VAL 7 14.180 -19.626 -15.793 53 HG21 VAL 7 HG21 VAL 7 14.085 -16.547 -13.507 54 HG22 VAL 7 HG22 VAL 7 14.420 -18.022 -12.599 55 HG23 VAL 7 HG23 VAL 7 12.813 -17.301 -12.546 56 H ARG 8 H ARG 8 11.280 -15.193 -14.876 57 HA ARG 8 HA ARG 8 9.049 -16.292 -13.418 58 HB2 ARG 8 HB2 ARG 8 10.482 -13.690 -13.028 59 HB3 ARG 8 HB3 ARG 8 9.083 -14.210 -12.149 60 HG2 ARG 8 HG2 ARG 8 10.235 -15.864 -11.009 61 HG3 ARG 8 HG3 ARG 8 11.521 -15.886 -12.218 62 HD2 ARG 8 HD2 ARG 8 12.274 -13.687 -11.474 63 HD3 ARG 8 HD3 ARG 8 10.956 -13.617 -10.315 64 HE ARG 8 HE ARG 8 12.047 -15.297 -9.027 65 HH11 ARG 8 HH11 ARG 8 13.956 -14.195 -11.748 66 HH12 ARG 8 HH12 ARG 8 15.454 -14.715 -11.056 67 HH21 ARG 8 HH21 ARG 8 14.027 -15.972 -8.133 68 HH22 ARG 8 HH22 ARG 8 15.496 -15.719 -9.014 69 H THR 9 H THR 9 7.044 -15.792 -14.075 70 HA THR 9 HA THR 9 6.454 -14.654 -16.533 71 HB THR 9 HB THR 9 4.157 -14.404 -15.004 72 HG1 THR 9 HG1 THR 9 5.147 -15.340 -13.232 73 HG21 THR 9 HG21 THR 9 3.852 -16.912 -15.774 74 HG22 THR 9 HG22 THR 9 5.212 -16.480 -16.806 75 HG23 THR 9 HG23 THR 9 3.718 -15.559 -16.887 76 H CYS 10 H CYS 10 5.745 -12.605 -17.221 77 HA CYS 10 HA CYS 10 5.444 -10.353 -17.173 78 HB2 CYS 10 HB2 CYS 10 4.368 -11.245 -14.533 79 HB3 CYS 10 HB3 CYS 10 4.542 -9.516 -14.820 80 H LEU 11 H LEU 11 6.799 -8.641 -17.052 81 HA LEU 11 HA LEU 11 9.040 -8.816 -15.144 82 HB2 LEU 11 HB2 LEU 11 9.579 -9.009 -17.549 83 HB3 LEU 11 HB3 LEU 11 8.955 -7.388 -17.791 84 HG LEU 11 HG LEU 11 10.810 -7.060 -15.766 85 HD11 LEU 11 HD11 LEU 11 12.772 -8.216 -16.318 86 HD12 LEU 11 HD12 LEU 11 12.092 -8.803 -17.838 87 HD13 LEU 11 HD13 LEU 11 11.491 -9.427 -16.303 88 HD21 LEU 11 HD21 LEU 11 11.806 -5.619 -17.213 89 HD22 LEU 11 HD22 LEU 11 10.275 -5.853 -18.057 90 HD23 LEU 11 HD23 LEU 11 11.710 -6.743 -18.569 91 HA PRO 12 HA PRO 12 7.757 -5.070 -13.170 92 HB2 PRO 12 HB2 PRO 12 10.543 -4.543 -12.518 93 HB3 PRO 12 HB3 PRO 12 9.196 -4.900 -11.441 94 HG2 PRO 12 HG2 PRO 12 11.282 -6.592 -12.002 95 HG3 PRO 12 HG3 PRO 12 9.710 -7.078 -11.367 96 HD2 PRO 12 HD2 PRO 12 10.836 -7.413 -14.066 97 HD3 PRO 12 HD3 PRO 12 9.529 -8.311 -13.281 98 H CYS 13 H CYS 13 8.504 -2.790 -12.967 99 HA CYS 13 HA CYS 13 9.962 -1.725 -15.209 100 HB2 CYS 13 HB2 CYS 13 7.465 -2.019 -15.711 101 HB3 CYS 13 HB3 CYS 13 7.217 -0.695 -14.582 102 H GLY 14 H GLY 14 9.097 0.901 -14.842 103 HA2 GLY 14 HA2 GLY 14 9.641 2.806 -13.643 104 HA3 GLY 14 HA3 GLY 14 9.101 1.872 -12.274 105 HA PRO 15 HA PRO 15 13.446 2.719 -11.334 106 HB2 PRO 15 HB2 PRO 15 13.078 3.363 -8.783 107 HB3 PRO 15 HB3 PRO 15 12.502 4.444 -10.066 108 HG2 PRO 15 HG2 PRO 15 10.934 2.410 -8.522 109 HG3 PRO 15 HG3 PRO 15 10.568 4.127 -8.790 110 HD2 PRO 15 HD2 PRO 15 9.519 2.159 -10.329 111 HD3 PRO 15 HD3 PRO 15 9.885 3.775 -10.969 112 H GLY 16 H GLY 16 13.890 0.443 -11.737 113 HA2 GLY 16 HA2 GLY 16 15.144 -1.298 -10.673 114 HA3 GLY 16 HA3 GLY 16 14.173 -1.069 -9.226 115 H GLY 17 H GLY 17 11.786 -1.551 -9.554 116 HA2 GLY 17 HA2 GLY 17 10.880 -3.188 -11.590 117 HA3 GLY 17 HA3 GLY 17 11.422 -4.231 -10.302 118 H LYS 18 H LYS 18 10.105 -1.109 -9.821 119 HA LYS 18 HA LYS 18 8.235 -1.896 -7.963 120 HB2 LYS 18 HB2 LYS 18 9.049 0.537 -9.333 121 HB3 LYS 18 HB3 LYS 18 7.366 0.531 -8.840 122 HG2 LYS 18 HG2 LYS 18 9.198 1.505 -7.282 123 HG3 LYS 18 HG3 LYS 18 7.866 0.558 -6.612 124 HD2 LYS 18 HD2 LYS 18 9.238 -1.399 -6.581 125 HD3 LYS 18 HD3 LYS 18 10.564 -0.541 -7.345 126 HE2 LYS 18 HE2 LYS 18 11.268 -0.295 -5.201 127 HE3 LYS 18 HE3 LYS 18 10.151 1.068 -5.239 128 HZ1 LYS 18 HZ1 LYS 18 8.450 -0.706 -4.465 129 HZ2 LYS 18 HZ2 LYS 18 9.513 -0.022 -3.341 130 HZ3 LYS 18 HZ3 LYS 18 9.823 -1.562 -3.967 131 H GLY 19 H GLY 19 7.705 -0.662 -11.235 132 HA2 GLY 19 HA2 GLY 19 5.073 -1.830 -11.216 133 HA3 GLY 19 HA3 GLY 19 5.689 -0.695 -12.387 134 H ARG 20 H ARG 20 5.095 -1.816 -14.070 135 HA ARG 20 HA ARG 20 6.842 -3.798 -15.089 136 HB2 ARG 20 HB2 ARG 20 5.333 -5.620 -15.338 137 HB3 ARG 20 HB3 ARG 20 5.348 -5.144 -13.643 138 HG2 ARG 20 HG2 ARG 20 3.207 -4.567 -13.655 139 HG3 ARG 20 HG3 ARG 20 3.352 -3.782 -15.232 140 HD2 ARG 20 HD2 ARG 20 2.128 -5.515 -15.981 141 HD3 ARG 20 HD3 ARG 20 3.651 -6.401 -15.886 142 HE ARG 20 HE ARG 20 2.946 -7.331 -13.815 143 HH11 ARG 20 HH11 ARG 20 0.447 -5.484 -15.423 144 HH12 ARG 20 HH12 ARG 20 -0.838 -6.246 -14.551 145 HH21 ARG 20 HH21 ARG 20 1.252 -8.317 -12.676 146 HH22 ARG 20 HH22 ARG 20 -0.384 -7.848 -12.995 147 H CYS 21 H CYS 21 5.861 -4.585 -17.346 148 HA CYS 21 HA CYS 21 4.759 -2.145 -18.592 149 HB2 CYS 21 HB2 CYS 21 6.236 -2.400 -20.233 150 HB3 CYS 21 HB3 CYS 21 6.932 -3.692 -19.285 151 H PHE 22 H PHE 22 2.836 -2.166 -19.771 152 HA PHE 22 HA PHE 22 1.266 -4.632 -19.484 153 HB2 PHE 22 HB2 PHE 22 0.557 -1.718 -19.674 154 HB3 PHE 22 HB3 PHE 22 -0.644 -2.974 -19.870 155 HD1 PHE 22 HD1 PHE 22 2.247 -2.975 -17.514 156 HD2 PHE 22 HD2 PHE 22 -1.980 -2.613 -18.006 157 HE1 PHE 22 HE1 PHE 22 1.930 -3.065 -15.075 158 HE2 PHE 22 HE2 PHE 22 -2.269 -2.702 -15.572 159 HZ PHE 22 HZ PHE 22 -0.316 -2.936 -14.105 160 H GLY 23 H GLY 23 2.997 -3.186 -21.859 161 HA2 GLY 23 HA2 GLY 23 2.437 -4.679 -23.949 162 HA3 GLY 23 HA3 GLY 23 0.981 -3.717 -23.944 163 HA PRO 24 HA PRO 24 3.270 -1.023 -26.582 164 HB2 PRO 24 HB2 PRO 24 1.449 0.859 -26.992 165 HB3 PRO 24 HB3 PRO 24 1.115 -0.824 -27.418 166 HG2 PRO 24 HG2 PRO 24 0.123 0.778 -25.118 167 HG3 PRO 24 HG3 PRO 24 -0.682 -0.512 -26.025 168 HD2 PRO 24 HD2 PRO 24 0.681 -0.739 -23.534 169 HD3 PRO 24 HD3 PRO 24 0.026 -2.061 -24.531 170 H SER 25 H SER 25 5.071 -0.141 -25.551 171 HA SER 25 HA SER 25 6.345 1.397 -24.399 172 HB2 SER 25 HB2 SER 25 5.028 2.649 -26.427 173 HB3 SER 25 HB3 SER 25 4.476 3.609 -25.044 174 HG SER 25 HG SER 25 6.544 4.205 -26.178 175 H ILE 26 H ILE 26 3.837 0.252 -23.076 176 HA ILE 26 HA ILE 26 3.354 2.396 -21.150 177 HB ILE 26 HB ILE 26 1.527 1.100 -22.550 178 HG12 ILE 26 HG12 ILE 26 1.134 1.702 -19.615 179 HG13 ILE 26 HG13 ILE 26 1.214 2.938 -20.893 180 HG21 ILE 26 HG21 ILE 26 2.249 -1.096 -21.653 181 HG22 ILE 26 HG22 ILE 26 0.551 -0.736 -21.328 182 HG23 ILE 26 HG23 ILE 26 1.760 -0.547 -20.047 183 HD11 ILE 26 HD11 ILE 26 -0.665 0.853 -21.583 184 HD12 ILE 26 HD12 ILE 26 -0.922 2.599 -21.442 185 HD13 ILE 26 HD13 ILE 26 -1.061 1.573 -20.013 186 H CYS 27 H CYS 27 3.007 1.841 -18.976 187 HA CYS 27 HA CYS 27 3.969 -0.594 -17.887 188 HB2 CYS 27 HB2 CYS 27 5.645 1.754 -18.186 189 HB3 CYS 27 HB3 CYS 27 5.530 1.207 -16.532 190 H CYS 28 H CYS 28 3.463 -0.729 -15.643 191 HA CYS 28 HA CYS 28 2.040 1.496 -14.477 192 HB2 CYS 28 HB2 CYS 28 0.705 -0.582 -15.718 193 HB3 CYS 28 HB3 CYS 28 0.613 -0.970 -14.004 194 H GLY 29 H GLY 29 3.065 1.820 -12.606 195 HA2 GLY 29 HA2 GLY 29 4.131 -0.432 -11.200 196 HA3 GLY 29 HA3 GLY 29 4.428 1.226 -10.878 197 H ASP 30 H ASP 30 3.506 -0.831 -8.915 198 HA ASP 30 HA ASP 30 0.745 -0.364 -8.468 199 HB2 ASP 30 HB2 ASP 30 2.796 -1.985 -7.295 200 HB3 ASP 30 HB3 ASP 30 1.998 -1.082 -6.010 201 H GLU 31 H GLU 31 3.457 0.472 -6.388 202 HA GLU 31 HA GLU 31 2.176 2.759 -5.256 203 HB2 GLU 31 HB2 GLU 31 4.358 3.049 -4.140 204 HB3 GLU 31 HB3 GLU 31 3.798 1.385 -3.999 205 HG2 GLU 31 HG2 GLU 31 5.568 0.591 -5.101 206 HG3 GLU 31 HG3 GLU 31 5.406 1.785 -6.403 207 H LEU 32 H LEU 32 3.553 2.038 -8.103 208 HA LEU 32 HA LEU 32 4.895 4.557 -8.579 209 HB2 LEU 32 HB2 LEU 32 5.834 2.191 -8.681 210 HB3 LEU 32 HB3 LEU 32 4.951 2.056 -10.161 211 HG LEU 32 HG LEU 32 7.544 2.943 -9.780 212 HD11 LEU 32 HD11 LEU 32 6.048 1.742 -11.617 213 HD12 LEU 32 HD12 LEU 32 7.642 2.454 -11.954 214 HD13 LEU 32 HD13 LEU 32 6.180 3.357 -12.344 215 HD21 LEU 32 HD21 LEU 32 5.982 5.143 -11.071 216 HD22 LEU 32 HD22 LEU 32 7.678 5.130 -10.593 217 HD23 LEU 32 HD23 LEU 32 6.412 5.204 -9.366 218 H GLY 33 H GLY 33 1.836 3.460 -9.096 219 HA2 GLY 33 HA2 GLY 33 0.153 4.137 -10.540 220 HA3 GLY 33 HA3 GLY 33 1.209 5.445 -10.939 221 H CYS 34 H CYS 34 0.743 5.517 -13.114 222 HA CYS 34 HA CYS 34 1.717 3.237 -14.662 223 HB2 CYS 34 HB2 CYS 34 -0.948 3.901 -14.449 224 HB3 CYS 34 HB3 CYS 34 -0.466 4.655 -15.965 225 H PHE 35 H PHE 35 2.700 3.696 -16.615 226 HA PHE 35 HA PHE 35 2.973 6.525 -17.373 227 HB2 PHE 35 HB2 PHE 35 5.305 4.601 -17.352 228 HB3 PHE 35 HB3 PHE 35 5.340 6.316 -17.738 229 HD1 PHE 35 HD1 PHE 35 4.356 4.040 -14.981 230 HD2 PHE 35 HD2 PHE 35 6.037 7.780 -16.119 231 HE1 PHE 35 HE1 PHE 35 4.826 4.537 -12.633 232 HE2 PHE 35 HE2 PHE 35 6.509 8.285 -13.754 233 HZ PHE 35 HZ PHE 35 5.903 6.657 -12.010 234 H VAL 36 H VAL 36 2.146 6.642 -19.424 235 HA VAL 36 HA VAL 36 2.584 4.311 -21.162 236 HB VAL 36 HB VAL 36 0.821 6.587 -21.983 237 HG11 VAL 36 HG11 VAL 36 0.003 5.115 -23.544 238 HG12 VAL 36 HG12 VAL 36 0.366 3.694 -22.560 239 HG13 VAL 36 HG13 VAL 36 1.672 4.540 -23.406 240 HG21 VAL 36 HG21 VAL 36 -0.297 4.207 -20.550 241 HG22 VAL 36 HG22 VAL 36 -1.045 5.772 -20.865 242 HG23 VAL 36 HG23 VAL 36 0.221 5.630 -19.646 243 H GLY 37 H GLY 37 3.864 4.379 -22.835 244 HA2 GLY 37 HA2 GLY 37 5.561 5.151 -24.207 245 HA3 GLY 37 HA3 GLY 37 4.475 6.499 -24.509 246 H THR 38 H THR 38 5.867 5.726 -21.388 247 HA THR 38 HA THR 38 7.428 8.228 -21.501 248 HB THR 38 HB THR 38 6.609 7.004 -18.910 249 HG1 THR 38 HG1 THR 38 4.866 8.265 -20.728 250 HG21 THR 38 HG21 THR 38 6.561 9.159 -18.069 251 HG22 THR 38 HG22 THR 38 6.431 9.885 -19.674 252 HG23 THR 38 HG23 THR 38 7.952 9.156 -19.156 253 H ALA 39 H ALA 39 9.427 8.269 -20.254 254 HA ALA 39 HA ALA 39 11.215 6.241 -20.749 255 HB1 ALA 39 HB1 ALA 39 11.152 8.364 -18.630 256 HB2 ALA 39 HB2 ALA 39 12.147 8.277 -20.084 257 HB3 ALA 39 HB3 ALA 39 12.482 7.209 -18.720 258 H GLU 40 H GLU 40 9.408 6.815 -17.788 259 HA GLU 40 HA GLU 40 10.252 4.523 -16.377 260 HB2 GLU 40 HB2 GLU 40 8.338 6.674 -16.035 261 HB3 GLU 40 HB3 GLU 40 7.722 5.143 -15.440 262 HG2 GLU 40 HG2 GLU 40 8.789 6.256 -13.635 263 HG3 GLU 40 HG3 GLU 40 9.798 4.888 -14.105 264 H ALA 41 H ALA 41 8.881 4.380 -19.243 265 HA ALA 41 HA ALA 41 7.272 2.015 -18.617 266 HB1 ALA 41 HB1 ALA 41 5.899 4.038 -19.052 267 HB2 ALA 41 HB2 ALA 41 5.591 2.688 -20.143 268 HB3 ALA 41 HB3 ALA 41 6.577 4.049 -20.675 269 H LEU 42 H LEU 42 9.892 3.076 -20.194 270 HA LEU 42 HA LEU 42 9.661 1.966 -22.752 271 HB2 LEU 42 HB2 LEU 42 12.160 2.082 -22.750 272 HB3 LEU 42 HB3 LEU 42 11.335 3.591 -22.426 273 HG LEU 42 HG LEU 42 12.384 3.852 -20.473 274 HD11 LEU 42 HD11 LEU 42 10.801 2.174 -19.466 275 HD12 LEU 42 HD12 LEU 42 12.360 2.331 -18.660 276 HD13 LEU 42 HD13 LEU 42 12.057 0.960 -19.723 277 HD21 LEU 42 HD21 LEU 42 14.451 3.339 -21.102 278 HD22 LEU 42 HD22 LEU 42 13.929 1.873 -21.932 279 HD23 LEU 42 HD23 LEU 42 14.239 1.843 -20.196 280 H ARG 43 H ARG 43 9.915 0.499 -19.745 281 HA ARG 43 HA ARG 43 11.559 -1.678 -20.144 282 HB2 ARG 43 HB2 ARG 43 9.828 -0.778 -18.198 283 HB3 ARG 43 HB3 ARG 43 9.218 -2.358 -18.640 284 HG2 ARG 43 HG2 ARG 43 10.753 -2.550 -16.792 285 HG3 ARG 43 HG3 ARG 43 11.441 -3.315 -18.225 286 HD2 ARG 43 HD2 ARG 43 13.142 -1.863 -18.326 287 HD3 ARG 43 HD3 ARG 43 12.111 -0.481 -17.965 288 HE ARG 43 HE ARG 43 12.270 -1.245 -15.580 289 HH11 ARG 43 HH11 ARG 43 14.794 -1.996 -17.883 290 HH12 ARG 43 HH12 ARG 43 16.025 -2.113 -16.674 291 HH21 ARG 43 HH21 ARG 43 13.896 -1.397 -14.001 292 HH22 ARG 43 HH22 ARG 43 15.518 -1.773 -14.475 293 H CYS 44 H CYS 44 8.576 -1.045 -21.691 294 HA CYS 44 HA CYS 44 7.878 -3.785 -22.064 295 HB2 CYS 44 HB2 CYS 44 6.556 -1.397 -22.368 296 HB3 CYS 44 HB3 CYS 44 6.743 -1.966 -24.022 297 H GLN 45 H GLN 45 10.230 -1.841 -23.445 298 HA GLN 45 HA GLN 45 10.322 -2.870 -26.069 299 HB2 GLN 45 HB2 GLN 45 12.024 -1.291 -24.278 300 HB3 GLN 45 HB3 GLN 45 12.904 -2.226 -25.468 301 HG2 GLN 45 HG2 GLN 45 11.783 -1.136 -27.269 302 HG3 GLN 45 HG3 GLN 45 10.670 -0.340 -26.158 303 HE21 GLN 45 HE21 GLN 45 12.128 0.758 -24.282 304 HE22 GLN 45 HE22 GLN 45 13.292 1.863 -24.918 305 H GLU 46 H GLU 46 10.914 -3.973 -23.077 306 HA GLU 46 HA GLU 46 12.848 -6.059 -23.618 307 HB2 GLU 46 HB2 GLU 46 12.773 -6.603 -21.359 308 HB3 GLU 46 HB3 GLU 46 12.317 -4.906 -21.310 309 HG2 GLU 46 HG2 GLU 46 10.744 -5.824 -19.937 310 HG3 GLU 46 HG3 GLU 46 9.891 -5.847 -21.473 311 H GLU 47 H GLU 47 9.429 -5.615 -23.404 312 HA GLU 47 HA GLU 47 8.743 -8.400 -23.715 313 HB2 GLU 47 HB2 GLU 47 7.431 -6.396 -22.581 314 HB3 GLU 47 HB3 GLU 47 6.795 -6.191 -24.207 315 HG2 GLU 47 HG2 GLU 47 6.347 -8.765 -23.993 316 HG3 GLU 47 HG3 GLU 47 6.382 -8.399 -22.269 317 H ASN 48 H ASN 48 9.997 -6.227 -25.823 318 HA ASN 48 HA ASN 48 8.348 -6.932 -28.076 319 HB2 ASN 48 HB2 ASN 48 9.306 -4.583 -27.587 320 HB3 ASN 48 HB3 ASN 48 10.809 -5.231 -28.238 321 HD21 ASN 48 HD21 ASN 48 8.918 -3.148 -29.200 322 HD22 ASN 48 HD22 ASN 48 8.534 -3.610 -30.820 323 H TYR 49 H TYR 49 11.088 -8.163 -26.532 324 HA TYR 49 HA TYR 49 11.684 -9.790 -28.907 325 HB2 TYR 49 HB2 TYR 49 14.113 -9.522 -28.583 326 HB3 TYR 49 HB3 TYR 49 13.334 -7.985 -28.966 327 HD1 TYR 49 HD1 TYR 49 14.960 -9.957 -26.322 328 HD2 TYR 49 HD2 TYR 49 13.263 -6.201 -27.361 329 HE1 TYR 49 HE1 TYR 49 15.932 -8.964 -24.293 330 HE2 TYR 49 HE2 TYR 49 14.231 -5.197 -25.337 331 HH TYR 49 HH TYR 49 15.045 -5.853 -23.168 332 H LEU 50 H LEU 50 10.656 -9.890 -25.891 333 HA LEU 50 HA LEU 50 11.833 -12.519 -25.450 334 HB2 LEU 50 HB2 LEU 50 12.150 -10.163 -23.677 335 HB3 LEU 50 HB3 LEU 50 11.819 -11.699 -22.898 336 HG LEU 50 HG LEU 50 14.089 -11.309 -24.844 337 HD11 LEU 50 HD11 LEU 50 14.512 -9.808 -23.035 338 HD12 LEU 50 HD12 LEU 50 15.527 -11.233 -22.809 339 HD13 LEU 50 HD13 LEU 50 14.064 -11.031 -21.846 340 HD21 LEU 50 HD21 LEU 50 14.908 -13.312 -23.403 341 HD22 LEU 50 HD22 LEU 50 13.730 -13.584 -24.686 342 HD23 LEU 50 HD23 LEU 50 13.199 -13.490 -23.006 343 HA PRO 51 HA PRO 51 7.142 -12.377 -25.172 344 HB2 PRO 51 HB2 PRO 51 7.939 -15.212 -25.755 345 HB3 PRO 51 HB3 PRO 51 6.520 -14.309 -26.311 346 HG2 PRO 51 HG2 PRO 51 8.541 -14.586 -27.959 347 HG3 PRO 51 HG3 PRO 51 7.783 -12.989 -27.772 348 HD2 PRO 51 HD2 PRO 51 10.372 -13.990 -26.651 349 HD3 PRO 51 HD3 PRO 51 9.975 -12.392 -27.317 350 H SER 52 H SER 52 5.821 -13.202 -23.518 351 HA SER 52 HA SER 52 7.046 -14.943 -21.522 352 HB2 SER 52 HB2 SER 52 5.566 -12.786 -20.254 353 HB3 SER 52 HB3 SER 52 7.145 -13.447 -19.863 354 HG SER 52 HG SER 52 7.921 -12.207 -21.720 355 HA PRO 53 HA PRO 53 3.007 -16.636 -21.257 356 HB2 PRO 53 HB2 PRO 53 3.280 -17.247 -18.432 357 HB3 PRO 53 HB3 PRO 53 3.363 -18.341 -19.814 358 HG2 PRO 53 HG2 PRO 53 5.510 -17.739 -18.272 359 HG3 PRO 53 HG3 PRO 53 5.639 -18.156 -19.990 360 HD2 PRO 53 HD2 PRO 53 5.677 -15.447 -18.695 361 HD3 PRO 53 HD3 PRO 53 6.689 -16.086 -20.008 362 H CYS 54 H CYS 54 3.784 -14.579 -18.349 363 HA CYS 54 HA CYS 54 1.014 -14.004 -17.995 364 HB2 CYS 54 HB2 CYS 54 2.207 -14.418 -15.995 365 HB3 CYS 54 HB3 CYS 54 3.562 -13.426 -16.507 366 H GLN 55 H GLN 55 4.035 -12.423 -18.963 367 HA GLN 55 HA GLN 55 3.733 -9.821 -18.930 368 HB2 GLN 55 HB2 GLN 55 4.728 -9.603 -21.111 369 HB3 GLN 55 HB3 GLN 55 5.385 -11.013 -20.277 370 HG2 GLN 55 HG2 GLN 55 4.468 -12.473 -21.744 371 HG3 GLN 55 HG3 GLN 55 3.054 -11.484 -22.037 372 HE21 GLN 55 HE21 GLN 55 6.539 -11.025 -22.438 373 HE22 GLN 55 HE22 GLN 55 6.462 -10.567 -24.101 374 H SER 56 H SER 56 2.232 -8.311 -19.194 375 HA SER 56 HA SER 56 0.449 -7.131 -19.968 376 HB2 SER 56 HB2 SER 56 -0.017 -7.137 -22.221 377 HB3 SER 56 HB3 SER 56 1.551 -7.943 -22.240 378 HG SER 56 HG SER 56 0.291 -9.952 -22.138 379 H GLY 57 H GLY 57 -1.712 -7.145 -19.559 380 HA2 GLY 57 HA2 GLY 57 -3.787 -8.586 -19.917 381 HA3 GLY 57 HA3 GLY 57 -2.909 -9.786 -18.988 382 H GLN 58 H GLN 58 -4.583 -6.695 -18.888 383 HA GLN 58 HA GLN 58 -4.814 -7.025 -15.986 384 HB2 GLN 58 HB2 GLN 58 -3.740 -4.825 -17.518 385 HB3 GLN 58 HB3 GLN 58 -5.013 -4.356 -16.396 386 HG2 GLN 58 HG2 GLN 58 -2.953 -6.232 -15.431 387 HG3 GLN 58 HG3 GLN 58 -2.466 -4.569 -15.678 388 HE21 GLN 58 HE21 GLN 58 -3.942 -2.912 -14.658 389 HE22 GLN 58 HE22 GLN 58 -4.544 -3.276 -13.081 390 H LYS 59 H LYS 59 -6.913 -7.864 -16.121 391 HA LYS 59 HA LYS 59 -9.000 -7.402 -17.525 392 HB2 LYS 59 HB2 LYS 59 -8.951 -8.809 -15.531 393 HB3 LYS 59 HB3 LYS 59 -9.056 -7.378 -14.518 394 HG2 LYS 59 HG2 LYS 59 -11.229 -7.125 -16.189 395 HG3 LYS 59 HG3 LYS 59 -11.147 -8.860 -15.881 396 HD2 LYS 59 HD2 LYS 59 -10.737 -7.909 -13.389 397 HD3 LYS 59 HD3 LYS 59 -11.761 -6.632 -14.048 398 HE2 LYS 59 HE2 LYS 59 -13.538 -8.092 -14.437 399 HE3 LYS 59 HE3 LYS 59 -12.504 -9.519 -14.358 400 HZ1 LYS 59 HZ1 LYS 59 -13.517 -9.602 -12.329 401 HZ2 LYS 59 HZ2 LYS 59 -13.641 -7.923 -12.177 402 HZ3 LYS 59 HZ3 LYS 59 -12.154 -8.687 -11.921 403 HA PRO 60 HA PRO 60 -9.656 -3.010 -17.876 404 HB2 PRO 60 HB2 PRO 60 -12.210 -4.072 -18.940 405 HB3 PRO 60 HB3 PRO 60 -11.134 -2.852 -19.626 406 HG2 PRO 60 HG2 PRO 60 -11.222 -5.385 -20.545 407 HG3 PRO 60 HG3 PRO 60 -9.744 -4.409 -20.564 408 HD2 PRO 60 HD2 PRO 60 -10.442 -6.714 -18.867 409 HD3 PRO 60 HD3 PRO 60 -8.852 -6.040 -19.276 410 H CYS 61 H CYS 61 -11.561 -1.490 -17.183 411 HA CYS 61 HA CYS 61 -13.316 -2.656 -15.250 412 HB2 CYS 61 HB2 CYS 61 -12.635 -0.583 -13.772 413 HB3 CYS 61 HB3 CYS 61 -11.816 -2.123 -13.633 414 H GLY 62 H GLY 62 -15.029 -1.541 -14.792 415 HA2 GLY 62 HA2 GLY 62 -16.450 -0.202 -16.564 416 HA3 GLY 62 HA3 GLY 62 -16.675 0.111 -14.859 417 H SER 63 H SER 63 -13.718 1.337 -15.307 418 HA SER 63 HA SER 63 -14.811 3.926 -15.957 419 HB2 SER 63 HB2 SER 63 -13.474 3.657 -13.859 420 HB3 SER 63 HB3 SER 63 -12.060 3.404 -14.867 421 HG SER 63 HG SER 63 -13.534 5.723 -14.414 422 H GLY 64 H GLY 64 -14.603 2.107 -17.971 423 HA2 GLY 64 HA2 GLY 64 -13.843 1.761 -20.089 424 HA3 GLY 64 HA3 GLY 64 -13.577 3.475 -20.069 425 H GLY 65 H GLY 65 -11.944 0.567 -18.802 426 HA2 GLY 65 HA2 GLY 65 -9.773 0.569 -20.332 427 HA3 GLY 65 HA3 GLY 65 -9.396 1.752 -19.116 428 H ARG 66 H ARG 66 -7.695 0.212 -18.568 429 HA ARG 66 HA ARG 66 -8.633 -2.128 -17.157 430 HB2 ARG 66 HB2 ARG 66 -5.736 -1.827 -17.270 431 HB3 ARG 66 HB3 ARG 66 -6.751 -3.239 -17.468 432 HG2 ARG 66 HG2 ARG 66 -6.229 -1.153 -19.556 433 HG3 ARG 66 HG3 ARG 66 -5.633 -2.811 -19.535 434 HD2 ARG 66 HD2 ARG 66 -8.083 -3.505 -19.463 435 HD3 ARG 66 HD3 ARG 66 -8.447 -1.839 -19.896 436 HE ARG 66 HE ARG 66 -6.675 -3.486 -21.570 437 HH11 ARG 66 HH11 ARG 66 -9.556 -1.529 -21.222 438 HH12 ARG 66 HH12 ARG 66 -9.858 -1.470 -22.924 439 HH21 ARG 66 HH21 ARG 66 -7.080 -3.396 -23.793 440 HH22 ARG 66 HH22 ARG 66 -8.458 -2.527 -24.382 441 H CYS 67 H CYS 67 -7.631 -2.834 -15.064 442 HA CYS 67 HA CYS 67 -7.781 -0.637 -13.259 443 HB2 CYS 67 HB2 CYS 67 -8.152 -3.337 -13.087 444 HB3 CYS 67 HB3 CYS 67 -6.581 -3.125 -12.354 445 H ALA 68 H ALA 68 -5.871 -0.065 -15.058 446 HA ALA 68 HA ALA 68 -3.394 -0.465 -15.237 447 HB1 ALA 68 HB1 ALA 68 -4.590 2.078 -14.297 448 HB2 ALA 68 HB2 ALA 68 -4.032 1.630 -15.902 449 HB3 ALA 68 HB3 ALA 68 -2.868 1.979 -14.630 450 H ALA 69 H ALA 69 -3.364 1.782 -12.560 451 HA ALA 69 HA ALA 69 -2.258 -0.102 -10.677 452 HB1 ALA 69 HB1 ALA 69 -0.296 0.300 -11.943 453 HB2 ALA 69 HB2 ALA 69 -0.188 1.355 -10.532 454 HB3 ALA 69 HB3 ALA 69 -0.669 2.023 -12.093 455 H ALA 70 H ALA 70 -2.083 0.827 -8.612 456 HA ALA 70 HA ALA 70 -2.805 2.118 -6.851 457 HB1 ALA 70 HB1 ALA 70 -1.430 3.785 -8.603 458 HB2 ALA 70 HB2 ALA 70 -1.828 4.111 -6.915 459 HB3 ALA 70 HB3 ALA 70 -2.921 4.652 -8.200 460 H GLY 71 H GLY 71 -4.665 0.966 -8.724 461 HA2 GLY 71 HA2 GLY 71 -6.895 0.954 -8.970 462 HA3 GLY 71 HA3 GLY 71 -6.967 2.363 -7.970 463 H ILE 72 H ILE 72 -5.119 2.233 -10.910 464 HA ILE 72 HA ILE 72 -6.759 4.352 -11.946 465 HB ILE 72 HB ILE 72 -4.075 3.324 -12.819 466 HG12 ILE 72 HG12 ILE 72 -5.244 5.966 -12.086 467 HG13 ILE 72 HG13 ILE 72 -3.828 5.176 -11.407 468 HG21 ILE 72 HG21 ILE 72 -5.854 5.060 -14.530 469 HG22 ILE 72 HG22 ILE 72 -5.469 3.378 -14.873 470 HG23 ILE 72 HG23 ILE 72 -4.198 4.592 -14.897 471 HD11 ILE 72 HD11 ILE 72 -2.604 5.603 -13.465 472 HD12 ILE 72 HD12 ILE 72 -3.235 7.108 -12.780 473 HD13 ILE 72 HD13 ILE 72 -4.046 6.367 -14.181 474 H CYS 73 H CYS 73 -7.725 4.204 -13.971 475 HA CYS 73 HA CYS 73 -8.032 1.507 -14.932 476 HB2 CYS 73 HB2 CYS 73 -10.081 2.521 -13.771 477 HB3 CYS 73 HB3 CYS 73 -10.243 3.548 -15.185 478 H CYS 74 H CYS 74 -6.670 1.486 -16.476 479 HA CYS 74 HA CYS 74 -6.680 3.627 -18.481 480 HB2 CYS 74 HB2 CYS 74 -4.854 4.191 -17.146 481 HB3 CYS 74 HB3 CYS 74 -4.423 2.533 -16.864 482 H SER 75 H SER 75 -5.750 2.991 -20.467 483 HA SER 75 HA SER 75 -5.582 0.089 -20.819 484 HB2 SER 75 HB2 SER 75 -6.571 2.165 -22.790 485 HB3 SER 75 HB3 SER 75 -6.529 0.436 -23.080 486 HG SER 75 HG SER 75 -8.112 1.839 -21.207 487 HA PRO 76 HA PRO 76 -1.819 1.286 -23.058 488 HB2 PRO 76 HB2 PRO 76 -1.992 1.218 -25.738 489 HB3 PRO 76 HB3 PRO 76 -2.120 -0.254 -24.769 490 HG2 PRO 76 HG2 PRO 76 -4.208 1.225 -26.235 491 HG3 PRO 76 HG3 PRO 76 -4.159 -0.477 -25.752 492 HD2 PRO 76 HD2 PRO 76 -5.552 1.661 -24.466 493 HD3 PRO 76 HD3 PRO 76 -5.428 -0.034 -23.962 494 H ASP 77 H ASP 77 -4.547 2.941 -24.419 495 HA ASP 77 HA ASP 77 -3.363 5.088 -25.717 496 HB2 ASP 77 HB2 ASP 77 -5.953 4.104 -25.274 497 HB3 ASP 77 HB3 ASP 77 -5.973 5.766 -24.691 498 H GLY 78 H GLY 78 -5.087 5.207 -22.570 499 HA2 GLY 78 HA2 GLY 78 -3.019 6.900 -21.555 500 HA3 GLY 78 HA3 GLY 78 -4.519 7.753 -21.754 501 H CYS 79 H CYS 79 -3.082 7.229 -19.256 502 HA CYS 79 HA CYS 79 -5.051 5.520 -17.946 503 HB2 CYS 79 HB2 CYS 79 -2.484 6.291 -16.679 504 HB3 CYS 79 HB3 CYS 79 -3.491 4.916 -16.332 505 H GLU 80 H GLU 80 -6.122 6.174 -16.250 506 HA GLU 80 HA GLU 80 -5.446 8.773 -15.103 507 HB2 GLU 80 HB2 GLU 80 -7.756 9.586 -15.351 508 HB3 GLU 80 HB3 GLU 80 -6.973 9.282 -16.896 509 HG2 GLU 80 HG2 GLU 80 -8.355 7.576 -17.424 510 HG3 GLU 80 HG3 GLU 80 -8.530 7.053 -15.751 511 H GLU 81 H GLU 81 -5.739 8.966 -12.904 512 HA GLU 81 HA GLU 81 -6.235 6.796 -11.358 513 HB2 GLU 81 HB2 GLU 81 -6.751 8.545 -9.536 514 HB3 GLU 81 HB3 GLU 81 -5.169 8.544 -10.289 515 HG2 GLU 81 HG2 GLU 81 -5.406 10.621 -10.947 516 HG3 GLU 81 HG3 GLU 81 -6.917 10.228 -11.753 517 H ASP 82 H ASP 82 -8.030 5.721 -12.152 518 HA ASP 82 HA ASP 82 -10.582 6.885 -11.983 519 HB2 ASP 82 HB2 ASP 82 -9.783 4.102 -12.583 520 HB3 ASP 82 HB3 ASP 82 -11.357 4.795 -12.858 521 HA PRO 83 HA PRO 83 -11.447 5.681 -7.799 522 HB2 PRO 83 HB2 PRO 83 -14.178 6.326 -8.752 523 HB3 PRO 83 HB3 PRO 83 -13.316 6.985 -7.351 524 HG2 PRO 83 HG2 PRO 83 -13.697 8.443 -9.537 525 HG3 PRO 83 HG3 PRO 83 -12.162 8.514 -8.656 526 HD2 PRO 83 HD2 PRO 83 -12.834 7.013 -11.154 527 HD3 PRO 83 HD3 PRO 83 -11.362 7.922 -10.768 528 H ALA 84 H ALA 84 -12.018 4.294 -10.680 529 HA ALA 84 HA ALA 84 -13.983 2.404 -9.977 530 HB1 ALA 84 HB1 ALA 84 -13.961 2.088 -12.190 531 HB2 ALA 84 HB2 ALA 84 -12.242 1.672 -12.143 532 HB3 ALA 84 HB3 ALA 84 -12.737 3.363 -12.265 533 H CYS 85 H CYS 85 -10.530 2.740 -9.863 534 HA CYS 85 HA CYS 85 -10.382 0.063 -8.851 535 HB2 CYS 85 HB2 CYS 85 -8.521 1.462 -10.668 536 HB3 CYS 85 HB3 CYS 85 -7.960 0.140 -9.664 537 H ASP 86 H ASP 86 -9.465 3.385 -7.850 538 HA ASP 86 HA ASP 86 -9.000 2.702 -5.197 539 HB2 ASP 86 HB2 ASP 86 -7.301 1.169 -6.340 540 HB3 ASP 86 HB3 ASP 86 -6.389 2.662 -6.556 541 HA PRO 87 HA PRO 87 -6.194 6.512 -5.690 542 HB2 PRO 87 HB2 PRO 87 -6.422 7.824 -8.158 543 HB3 PRO 87 HB3 PRO 87 -5.117 6.771 -7.644 544 HG2 PRO 87 HG2 PRO 87 -6.884 6.203 -9.702 545 HG3 PRO 87 HG3 PRO 87 -5.896 5.027 -8.834 546 HD2 PRO 87 HD2 PRO 87 -8.759 5.770 -8.377 547 HD3 PRO 87 HD3 PRO 87 -8.026 4.181 -8.401 548 H GLU 88 H GLU 88 -8.438 7.453 -8.065 549 HA GLU 88 HA GLU 88 -9.306 9.757 -6.568 550 HB2 GLU 88 HB2 GLU 88 -9.120 9.636 -9.121 551 HB3 GLU 88 HB3 GLU 88 -10.566 8.645 -9.076 552 HG2 GLU 88 HG2 GLU 88 -11.899 10.426 -8.296 553 HG3 GLU 88 HG3 GLU 88 -10.487 11.395 -7.878 554 H ALA 89 H ALA 89 -9.671 6.635 -6.571 555 HA ALA 89 HA ALA 89 -11.695 5.304 -6.533 556 HB1 ALA 89 HB1 ALA 89 -10.023 5.522 -4.098 557 HB2 ALA 89 HB2 ALA 89 -9.820 4.487 -5.516 558 HB3 ALA 89 HB3 ALA 89 -11.170 4.214 -4.414 559 H ALA 90 H ALA 90 -13.442 5.041 -6.233 560 HA ALA 90 HA ALA 90 -15.162 6.338 -4.310 561 HB1 ALA 90 HB1 ALA 90 -16.930 5.549 -5.863 562 HB2 ALA 90 HB2 ALA 90 -15.664 4.790 -6.851 563 HB3 ALA 90 HB3 ALA 90 -15.745 6.555 -6.705 564 H PHE 91 H PHE 91 -16.879 4.002 -5.064 565 HA PHE 91 HA PHE 91 -16.131 2.087 -3.043 566 HB2 PHE 91 HB2 PHE 91 -18.335 2.284 -5.078 567 HB3 PHE 91 HB3 PHE 91 -18.010 0.721 -4.340 568 HD1 PHE 91 HD1 PHE 91 -17.803 0.816 -1.696 569 HD2 PHE 91 HD2 PHE 91 -19.899 3.628 -4.102 570 HE1 PHE 91 HE1 PHE 91 -19.165 1.457 0.250 571 HE2 PHE 91 HE2 PHE 91 -21.266 4.277 -2.162 572 HZ PHE 91 HZ PHE 91 -20.899 3.192 0.018 573 H SER 92 H SER 92 -14.037 2.433 -4.691 574 HA SER 92 HA SER 92 -13.929 0.540 -6.828 575 HB2 SER 92 HB2 SER 92 -11.936 1.570 -7.383 576 HB3 SER 92 HB3 SER 92 -12.683 2.881 -6.450 577 HG SER 92 HG SER 92 -11.494 2.100 -4.634
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