NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631093 | 6gv6 | 34288 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASN 1 HA ASN 1 11.450 6.369 -11.434 2 HB2 ASN 1 HB2 ASN 1 11.992 4.523 -12.921 3 HB3 ASN 1 HB3 ASN 1 13.429 4.960 -12.005 4 HD21 ASN 1 HD21 ASN 1 12.748 2.463 -13.368 5 HD22 ASN 1 HD22 ASN 1 12.818 1.224 -12.169 6 H GLU 2 H GLU 2 10.528 4.533 -8.874 7 HA GLU 2 HA GLU 2 8.605 3.571 -8.183 8 HB2 GLU 2 HB2 GLU 2 7.454 5.481 -9.229 9 HB3 GLU 2 HB3 GLU 2 7.444 4.640 -10.771 10 HG2 GLU 2 HG2 GLU 2 5.925 3.001 -9.955 11 HG3 GLU 2 HG3 GLU 2 6.088 3.593 -8.305 12 H LEU 3 H LEU 3 8.635 1.445 -8.039 13 HA LEU 3 HA LEU 3 9.568 -0.261 -10.035 14 HB2 LEU 3 HB2 LEU 3 9.554 -0.848 -7.646 15 HB3 LEU 3 HB3 LEU 3 7.808 -0.955 -7.677 16 HG LEU 3 HG LEU 3 7.871 -2.918 -9.050 17 HD11 LEU 3 HD11 LEU 3 10.849 -2.466 -9.208 18 HD12 LEU 3 HD12 LEU 3 9.683 -2.358 -10.531 19 HD13 LEU 3 HD13 LEU 3 10.011 -3.913 -9.769 20 HD21 LEU 3 HD21 LEU 3 9.924 -3.066 -6.843 21 HD22 LEU 3 HD22 LEU 3 9.141 -4.452 -7.595 22 HD23 LEU 3 HD23 LEU 3 8.183 -3.290 -6.674 23 H ARG 4 H ARG 4 8.728 -0.780 -11.858 24 HA ARG 4 HA ARG 4 5.818 -0.941 -12.129 25 HB2 ARG 4 HB2 ARG 4 6.116 0.045 -14.409 26 HB3 ARG 4 HB3 ARG 4 6.516 1.152 -13.102 27 HG2 ARG 4 HG2 ARG 4 8.937 0.378 -13.447 28 HG3 ARG 4 HG3 ARG 4 8.366 -0.273 -14.983 29 HD2 ARG 4 HD2 ARG 4 7.598 1.950 -15.639 30 HD3 ARG 4 HD3 ARG 4 8.128 2.598 -14.086 31 HE ARG 4 HE ARG 4 10.084 1.313 -15.854 32 HH11 ARG 4 HH11 ARG 4 8.909 4.194 -14.240 33 HH12 ARG 4 HH12 ARG 4 10.310 5.129 -14.615 34 HH21 ARG 4 HH21 ARG 4 11.951 2.547 -16.324 35 HH22 ARG 4 HH22 ARG 4 12.040 4.198 -15.808 36 H CYS 5 H CYS 5 5.087 -2.343 -13.800 37 HA CYS 5 HA CYS 5 6.705 -4.700 -14.057 38 HB2 CYS 5 HB2 CYS 5 4.237 -4.738 -13.634 39 HB3 CYS 5 HB3 CYS 5 3.985 -4.078 -15.244 40 H GLY 6 H GLY 6 7.624 -5.496 -15.959 41 HA2 GLY 6 HA2 GLY 6 8.572 -3.733 -17.878 42 HA3 GLY 6 HA3 GLY 6 8.536 -5.476 -18.054 43 H CYS 7 H CYS 7 5.494 -5.442 -17.915 44 HA CYS 7 HA CYS 7 5.020 -5.350 -20.671 45 HB2 CYS 7 HB2 CYS 7 3.463 -5.910 -18.301 46 HB3 CYS 7 HB3 CYS 7 2.516 -4.979 -19.459 47 HA PRO 8 HA PRO 8 4.647 -1.182 -21.751 48 HB2 PRO 8 HB2 PRO 8 2.718 -1.164 -23.652 49 HB3 PRO 8 HB3 PRO 8 4.314 -1.879 -23.909 50 HG2 PRO 8 HG2 PRO 8 1.735 -3.222 -23.189 51 HG3 PRO 8 HG3 PRO 8 2.948 -3.705 -24.388 52 HD2 PRO 8 HD2 PRO 8 2.808 -4.838 -21.948 53 HD3 PRO 8 HD3 PRO 8 4.349 -4.604 -22.790 54 H ASP 9 H ASP 9 1.723 -2.659 -20.593 55 HA ASP 9 HA ASP 9 0.825 -0.021 -19.702 56 HB2 ASP 9 HB2 ASP 9 -0.339 -0.758 -21.874 57 HB3 ASP 9 HB3 ASP 9 -1.140 -1.978 -20.891 58 H CYS 10 H CYS 10 2.097 -2.250 -18.376 59 HA CYS 10 HA CYS 10 -0.081 -3.025 -16.565 60 HB2 CYS 10 HB2 CYS 10 1.082 -4.867 -17.912 61 HB3 CYS 10 HB3 CYS 10 2.481 -4.564 -16.890 62 H HIS 11 H HIS 11 0.234 -2.730 -14.396 63 HA HIS 11 HA HIS 11 2.781 -1.761 -13.449 64 HB2 HIS 11 HB2 HIS 11 1.734 0.333 -12.480 65 HB3 HIS 11 HB3 HIS 11 1.972 0.324 -14.223 66 HD2 HIS 11 HD2 HIS 11 -0.516 -0.307 -15.643 67 HE1 HIS 11 HE1 HIS 11 -2.879 1.340 -12.530 68 HE2 HIS 11 HE2 HIS 11 -2.894 0.356 -14.848 69 H CYS 12 H CYS 12 1.157 -4.053 -12.845 70 HA CYS 12 HA CYS 12 -0.232 -3.715 -10.409 71 HB2 CYS 12 HB2 CYS 12 1.083 -6.136 -11.640 72 HB3 CYS 12 HB3 CYS 12 0.174 -6.203 -10.137 73 H LYS 13 H LYS 13 0.429 -4.508 -8.309 74 HA LYS 13 HA LYS 13 2.858 -3.366 -7.474 75 HB2 LYS 13 HB2 LYS 13 0.870 -3.443 -6.070 76 HB3 LYS 13 HB3 LYS 13 0.951 -5.198 -6.039 77 HG2 LYS 13 HG2 LYS 13 3.102 -5.065 -4.889 78 HG3 LYS 13 HG3 LYS 13 2.977 -3.304 -4.890 79 HD2 LYS 13 HD2 LYS 13 2.265 -4.207 -2.748 80 HD3 LYS 13 HD3 LYS 13 0.905 -3.464 -3.591 81 HE2 LYS 13 HE2 LYS 13 0.123 -5.652 -4.309 82 HE3 LYS 13 HE3 LYS 13 1.518 -6.420 -3.554 83 HZ1 LYS 13 HZ1 LYS 13 0.729 -5.695 -1.410 84 HZ2 LYS 13 HZ2 LYS 13 -0.478 -6.574 -2.195 85 HZ3 LYS 13 HZ3 LYS 13 -0.579 -4.888 -2.118 86 H VAL 14 H VAL 14 4.799 -4.197 -7.438 87 HA VAL 14 HA VAL 14 5.155 -7.075 -7.875 88 HB VAL 14 HB VAL 14 7.221 -4.882 -8.145 89 HG11 VAL 14 HG11 VAL 14 8.379 -6.469 -9.574 90 HG12 VAL 14 HG12 VAL 14 7.118 -7.666 -9.272 91 HG13 VAL 14 HG13 VAL 14 8.149 -7.110 -7.944 92 HG21 VAL 14 HG21 VAL 14 5.456 -6.024 -10.309 93 HG22 VAL 14 HG22 VAL 14 6.797 -4.906 -10.559 94 HG23 VAL 14 HG23 VAL 14 5.374 -4.388 -9.655 95 H ASP 15 H ASP 15 6.181 -8.332 -6.341 96 HA ASP 15 HA ASP 15 7.034 -6.994 -3.846 97 HB2 ASP 15 HB2 ASP 15 6.042 -9.807 -4.317 98 HB3 ASP 15 HB3 ASP 15 6.681 -9.235 -2.782 99 HA PRO 16 HA PRO 16 11.260 -7.872 -4.920 100 HB2 PRO 16 HB2 PRO 16 11.522 -7.793 -1.950 101 HB3 PRO 16 HB3 PRO 16 12.477 -6.969 -3.188 102 HG2 PRO 16 HG2 PRO 16 10.664 -5.629 -1.800 103 HG3 PRO 16 HG3 PRO 16 10.861 -5.338 -3.538 104 HD2 PRO 16 HD2 PRO 16 8.727 -6.846 -2.096 105 HD3 PRO 16 HD3 PRO 16 8.613 -5.820 -3.541 106 H GLU 17 H GLU 17 9.721 -9.714 -2.244 107 HA GLU 17 HA GLU 17 11.778 -11.705 -2.239 108 HB2 GLU 17 HB2 GLU 17 9.073 -11.585 -0.958 109 HB3 GLU 17 HB3 GLU 17 10.015 -13.064 -0.924 110 HG2 GLU 17 HG2 GLU 17 11.878 -11.726 0.115 111 HG3 GLU 17 HG3 GLU 17 10.727 -10.399 0.273 112 H ARG 18 H ARG 18 9.165 -11.213 -4.319 113 HA ARG 18 HA ARG 18 9.635 -13.866 -5.491 114 HB2 ARG 18 HB2 ARG 18 7.253 -14.163 -5.937 115 HB3 ARG 18 HB3 ARG 18 7.549 -14.027 -4.207 116 HG2 ARG 18 HG2 ARG 18 6.746 -11.797 -4.166 117 HG3 ARG 18 HG3 ARG 18 6.676 -11.731 -5.925 118 HD2 ARG 18 HD2 ARG 18 4.930 -13.414 -5.936 119 HD3 ARG 18 HD3 ARG 18 5.028 -13.545 -4.177 120 HE ARG 18 HE ARG 18 4.511 -10.971 -4.403 121 HH11 ARG 18 HH11 ARG 18 2.992 -13.638 -6.125 122 HH12 ARG 18 HH12 ARG 18 1.503 -12.785 -6.336 123 HH21 ARG 18 HH21 ARG 18 2.575 -9.868 -4.705 124 HH22 ARG 18 HH22 ARG 18 1.257 -10.644 -5.538 125 H VAL 19 H VAL 19 10.495 -11.132 -6.086 126 HA VAL 19 HA VAL 19 9.025 -10.141 -8.279 127 HB VAL 19 HB VAL 19 10.526 -8.685 -6.986 128 HG11 VAL 19 HG11 VAL 19 12.313 -10.240 -6.487 129 HG12 VAL 19 HG12 VAL 19 12.960 -8.802 -7.277 130 HG13 VAL 19 HG13 VAL 19 12.767 -10.298 -8.190 131 HG21 VAL 19 HG21 VAL 19 11.605 -7.525 -8.853 132 HG22 VAL 19 HG22 VAL 19 9.967 -8.037 -9.260 133 HG23 VAL 19 HG23 VAL 19 11.351 -8.940 -9.875 134 H PHE 20 H PHE 20 9.005 -10.779 -10.314 135 HA PHE 20 HA PHE 20 10.888 -12.840 -11.087 136 HB2 PHE 20 HB2 PHE 20 8.294 -11.876 -12.265 137 HB3 PHE 20 HB3 PHE 20 9.385 -12.922 -13.171 138 HD1 PHE 20 HD1 PHE 20 7.557 -12.704 -9.930 139 HD2 PHE 20 HD2 PHE 20 9.277 -15.217 -12.906 140 HE1 PHE 20 HE1 PHE 20 6.598 -14.677 -8.818 141 HE2 PHE 20 HE2 PHE 20 8.327 -17.192 -11.792 142 HZ PHE 20 HZ PHE 20 6.985 -16.924 -9.746 143 H ASN 21 H ASN 21 12.705 -12.129 -11.755 144 HA ASN 21 HA ASN 21 12.871 -9.694 -13.346 145 HB2 ASN 21 HB2 ASN 21 14.415 -9.920 -11.445 146 HB3 ASN 21 HB3 ASN 21 15.036 -11.420 -12.127 147 HD21 ASN 21 HD21 ASN 21 16.268 -11.325 -14.060 148 HD22 ASN 21 HD22 ASN 21 17.098 -9.870 -14.498 149 H HIS 22 H HIS 22 12.653 -9.992 -15.439 150 HA HIS 22 HA HIS 22 13.989 -12.336 -16.576 151 HB2 HIS 22 HB2 HIS 22 11.330 -12.174 -16.486 152 HB3 HIS 22 HB3 HIS 22 11.593 -11.244 -17.957 153 HD2 HIS 22 HD2 HIS 22 11.676 -12.809 -20.151 154 HE1 HIS 22 HE1 HIS 22 12.686 -16.455 -18.245 155 HE2 HIS 22 HE2 HIS 22 11.687 -15.387 -20.279 156 H ASP 23 H ASP 23 15.562 -11.779 -17.788 157 HA ASP 23 HA ASP 23 16.966 -10.669 -19.139 158 HB2 ASP 23 HB2 ASP 23 14.879 -10.784 -20.652 159 HB3 ASP 23 HB3 ASP 23 14.646 -9.089 -20.232 160 H GLY 24 H GLY 24 16.228 -9.677 -16.523 161 HA2 GLY 24 HA2 GLY 24 17.299 -8.024 -15.286 162 HA3 GLY 24 HA3 GLY 24 17.551 -7.096 -16.754 163 H GLU 25 H GLU 25 14.340 -8.079 -16.564 164 HA GLU 25 HA GLU 25 13.611 -5.512 -15.326 165 HB2 GLU 25 HB2 GLU 25 12.539 -6.881 -17.740 166 HB3 GLU 25 HB3 GLU 25 11.483 -5.840 -16.794 167 HG2 GLU 25 HG2 GLU 25 12.958 -3.997 -17.084 168 HG3 GLU 25 HG3 GLU 25 14.123 -5.009 -17.946 169 H ALA 26 H ALA 26 11.760 -5.377 -14.097 170 HA ALA 26 HA ALA 26 11.069 -7.874 -12.773 171 HB1 ALA 26 HB1 ALA 26 10.111 -6.463 -11.040 172 HB2 ALA 26 HB2 ALA 26 10.382 -5.032 -12.032 173 HB3 ALA 26 HB3 ALA 26 11.756 -5.946 -11.411 174 H TYR 27 H TYR 27 9.020 -8.660 -12.617 175 HA TYR 27 HA TYR 27 6.870 -7.271 -14.043 176 HB2 TYR 27 HB2 TYR 27 7.596 -10.195 -14.357 177 HB3 TYR 27 HB3 TYR 27 6.138 -9.449 -14.998 178 HD1 TYR 27 HD1 TYR 27 9.773 -9.767 -15.377 179 HD2 TYR 27 HD2 TYR 27 6.240 -7.990 -16.940 180 HE1 TYR 27 HE1 TYR 27 10.977 -9.203 -17.444 181 HE2 TYR 27 HE2 TYR 27 7.433 -7.422 -19.012 182 HH TYR 27 HH TYR 27 9.673 -7.090 -19.815 183 H CYS 28 H CYS 28 4.707 -8.002 -13.366 184 HA CYS 28 HA CYS 28 4.646 -8.381 -10.527 185 HB2 CYS 28 HB2 CYS 28 2.240 -8.149 -10.715 186 HB3 CYS 28 HB3 CYS 28 3.036 -6.928 -11.699 187 H SER 29 H SER 29 4.198 -10.408 -13.294 188 HA SER 29 HA SER 29 3.892 -12.710 -11.531 189 HB2 SER 29 HB2 SER 29 1.622 -12.241 -12.162 190 HB3 SER 29 HB3 SER 29 2.078 -12.000 -13.848 191 HG SER 29 HG SER 29 1.190 -14.194 -12.849 192 H GLN 30 H GLN 30 4.295 -14.757 -12.674 193 HA GLN 30 HA GLN 30 6.636 -14.648 -14.246 194 HB2 GLN 30 HB2 GLN 30 6.167 -17.156 -14.560 195 HB3 GLN 30 HB3 GLN 30 6.423 -16.584 -12.921 196 HG2 GLN 30 HG2 GLN 30 3.986 -16.591 -12.556 197 HG3 GLN 30 HG3 GLN 30 3.757 -17.202 -14.193 198 HE21 GLN 30 HE21 GLN 30 4.861 -17.962 -10.981 199 HE22 GLN 30 HE22 GLN 30 4.924 -19.677 -11.188 200 H ALA 31 H ALA 31 3.301 -14.561 -14.986 201 HA ALA 31 HA ALA 31 3.331 -15.491 -17.640 202 HB1 ALA 31 HB1 ALA 31 1.188 -14.353 -17.856 203 HB2 ALA 31 HB2 ALA 31 1.491 -13.479 -16.355 204 HB3 ALA 31 HB3 ALA 31 1.284 -15.231 -16.329 205 H CYS 32 H CYS 32 3.425 -12.152 -16.383 206 HA CYS 32 HA CYS 32 3.693 -10.896 -18.894 207 HB2 CYS 32 HB2 CYS 32 4.395 -9.948 -16.110 208 HB3 CYS 32 HB3 CYS 32 4.622 -8.943 -17.532 209 H ALA 33 H ALA 33 6.036 -12.184 -16.638 210 HA ALA 33 HA ALA 33 8.370 -11.033 -17.648 211 HB1 ALA 33 HB1 ALA 33 8.324 -12.205 -15.529 212 HB2 ALA 33 HB2 ALA 33 9.533 -12.928 -16.595 213 HB3 ALA 33 HB3 ALA 33 7.982 -13.726 -16.353 214 H GLU 34 H GLU 34 6.678 -13.959 -18.580 215 HA GLU 34 HA GLU 34 8.645 -14.498 -20.668 216 HB2 GLU 34 HB2 GLU 34 6.566 -16.047 -19.230 217 HB3 GLU 34 HB3 GLU 34 7.084 -16.599 -20.826 218 HG2 GLU 34 HG2 GLU 34 9.058 -16.022 -18.646 219 HG3 GLU 34 HG3 GLU 34 8.247 -17.583 -18.776 220 H GLN 35 H GLN 35 6.321 -12.436 -20.658 221 HA GLN 35 HA GLN 35 4.905 -11.509 -22.169 222 HB2 GLN 35 HB2 GLN 35 6.614 -13.203 -23.967 223 HB3 GLN 35 HB3 GLN 35 5.247 -12.324 -24.628 224 HG2 GLN 35 HG2 GLN 35 7.324 -11.088 -24.911 225 HG3 GLN 35 HG3 GLN 35 6.203 -10.220 -23.872 226 HE21 GLN 35 HE21 GLN 35 6.698 -9.971 -21.691 227 HE22 GLN 35 HE22 GLN 35 8.276 -10.284 -21.063 228 H HIS 36 H HIS 36 4.086 -13.842 -20.717 229 HA HIS 36 HA HIS 36 2.291 -15.200 -20.471 230 HB2 HIS 36 HB2 HIS 36 1.078 -13.736 -22.828 231 HB3 HIS 36 HB3 HIS 36 0.219 -14.611 -21.565 232 HD1 HIS 36 HD1 HIS 36 -0.123 -13.395 -19.314 233 HD2 HIS 36 HD2 HIS 36 1.996 -11.188 -22.111 234 HE1 HIS 36 HE1 HIS 36 -0.012 -11.052 -18.379 235 HA PRO 37 HA PRO 37 3.790 -17.868 -24.044 236 HB2 PRO 37 HB2 PRO 37 4.829 -19.838 -22.483 237 HB3 PRO 37 HB3 PRO 37 5.758 -18.415 -22.972 238 HG2 PRO 37 HG2 PRO 37 4.335 -18.958 -20.399 239 HG3 PRO 37 HG3 PRO 37 5.941 -18.255 -20.659 240 HD2 PRO 37 HD2 PRO 37 3.774 -16.744 -20.102 241 HD3 PRO 37 HD3 PRO 37 5.078 -16.169 -21.158 242 H ASN 38 H ASN 38 2.420 -18.937 -20.943 243 HA ASN 38 HA ASN 38 1.003 -21.143 -22.102 244 HB2 ASN 38 HB2 ASN 38 1.426 -20.049 -19.431 245 HB3 ASN 38 HB3 ASN 38 -0.214 -20.642 -19.668 246 HD21 ASN 38 HD21 ASN 38 3.166 -21.499 -19.649 247 HD22 ASN 38 HD22 ASN 38 2.921 -23.202 -19.519 248 H GLY 39 H GLY 39 0.549 -17.998 -22.523 249 HA2 GLY 39 HA2 GLY 39 -1.204 -16.848 -23.483 250 HA3 GLY 39 HA3 GLY 39 -2.174 -18.308 -23.352 251 H GLU 40 H GLU 40 -0.792 -17.582 -20.412 252 HA GLU 40 HA GLU 40 -3.360 -16.706 -19.423 253 HB2 GLU 40 HB2 GLU 40 -2.465 -17.155 -17.207 254 HB3 GLU 40 HB3 GLU 40 -2.256 -18.535 -18.271 255 HG2 GLU 40 HG2 GLU 40 0.058 -18.160 -18.476 256 HG3 GLU 40 HG3 GLU 40 -0.066 -16.549 -17.772 257 HA PRO 41 HA PRO 41 -1.926 -12.452 -19.102 258 HB2 PRO 41 HB2 PRO 41 -4.519 -12.115 -17.744 259 HB3 PRO 41 HB3 PRO 41 -3.923 -11.335 -19.212 260 HG2 PRO 41 HG2 PRO 41 -5.870 -13.189 -19.275 261 HG3 PRO 41 HG3 PRO 41 -4.679 -13.025 -20.579 262 HD2 PRO 41 HD2 PRO 41 -4.792 -15.021 -18.351 263 HD3 PRO 41 HD3 PRO 41 -4.368 -15.248 -20.063 264 H CYS 42 H CYS 42 -2.260 -10.869 -17.041 265 HA CYS 42 HA CYS 42 -1.058 -12.368 -14.892 266 HB2 CYS 42 HB2 CYS 42 -0.487 -10.210 -13.926 267 HB3 CYS 42 HB3 CYS 42 -0.095 -10.217 -15.639 268 HA PRO 43 HA PRO 43 -4.257 -13.027 -11.956 269 HB2 PRO 43 HB2 PRO 43 -2.952 -10.985 -10.207 270 HB3 PRO 43 HB3 PRO 43 -3.527 -12.609 -9.804 271 HG2 PRO 43 HG2 PRO 43 -0.948 -12.186 -10.186 272 HG3 PRO 43 HG3 PRO 43 -1.720 -13.645 -10.835 273 HD2 PRO 43 HD2 PRO 43 -0.815 -11.191 -12.256 274 HD3 PRO 43 HD3 PRO 43 -0.836 -12.872 -12.812 275 H ALA 44 H ALA 44 -3.557 -9.600 -12.505 276 HA ALA 44 HA ALA 44 -5.912 -8.541 -11.357 277 HB1 ALA 44 HB1 ALA 44 -3.976 -7.150 -11.874 278 HB2 ALA 44 HB2 ALA 44 -5.418 -6.536 -12.683 279 HB3 ALA 44 HB3 ALA 44 -4.214 -7.444 -13.597 280 HA PRO 45 HA PRO 45 -8.527 -10.204 -14.586 281 HB2 PRO 45 HB2 PRO 45 -10.866 -9.413 -13.155 282 HB3 PRO 45 HB3 PRO 45 -10.150 -11.018 -13.265 283 HG2 PRO 45 HG2 PRO 45 -10.259 -9.457 -10.963 284 HG3 PRO 45 HG3 PRO 45 -9.202 -10.852 -11.218 285 HD2 PRO 45 HD2 PRO 45 -8.593 -7.955 -11.367 286 HD3 PRO 45 HD3 PRO 45 -7.564 -9.314 -10.866 287 H ASP 46 H ASP 46 -8.199 -7.001 -13.616 288 HA ASP 46 HA ASP 46 -10.072 -6.102 -15.708 289 HB2 ASP 46 HB2 ASP 46 -10.587 -5.294 -13.427 290 HB3 ASP 46 HB3 ASP 46 -9.010 -4.518 -13.361 291 H CYS 47 H CYS 47 -6.901 -6.718 -15.369 292 HA CYS 47 HA CYS 47 -5.848 -4.272 -16.476 293 HB2 CYS 47 HB2 CYS 47 -4.606 -5.912 -14.930 294 HB3 CYS 47 HB3 CYS 47 -4.367 -6.890 -16.375 295 H HIS 48 H HIS 48 -4.857 -4.081 -18.564 296 HA HIS 48 HA HIS 48 -6.005 -5.941 -20.543 297 HB2 HIS 48 HB2 HIS 48 -5.836 -2.929 -20.745 298 HB3 HIS 48 HB3 HIS 48 -6.308 -3.989 -22.063 299 HD1 HIS 48 HD1 HIS 48 -7.764 -1.889 -19.639 300 HD2 HIS 48 HD2 HIS 48 -8.698 -5.665 -21.101 301 HE1 HIS 48 HE1 HIS 48 -10.190 -2.241 -19.098 302 HE2 HIS 48 HE2 HIS 48 -10.773 -4.451 -20.150 303 H CYS 49 H CYS 49 -3.235 -5.629 -19.318 304 HA CYS 49 HA CYS 49 -1.505 -4.592 -21.301 305 HB2 CYS 49 HB2 CYS 49 0.265 -5.755 -20.123 306 HB3 CYS 49 HB3 CYS 49 -0.845 -5.053 -18.949 307 H GLU 50 H GLU 50 -0.564 -5.520 -23.071 308 HA GLU 50 HA GLU 50 -0.171 -6.927 -24.798 309 HB2 GLU 50 HB2 GLU 50 -0.881 -9.062 -22.782 310 HB3 GLU 50 HB3 GLU 50 -0.308 -9.410 -24.406 311 HG2 GLU 50 HG2 GLU 50 1.265 -7.702 -22.510 312 HG3 GLU 50 HG3 GLU 50 1.388 -9.456 -22.499 313 H ARG 51 H ARG 51 -3.241 -7.015 -23.227 314 HA ARG 51 HA ARG 51 -4.684 -8.451 -25.194 315 HB2 ARG 51 HB2 ARG 51 -5.678 -6.307 -23.307 316 HB3 ARG 51 HB3 ARG 51 -6.691 -7.409 -24.219 317 HG2 ARG 51 HG2 ARG 51 -5.377 -9.253 -22.946 318 HG3 ARG 51 HG3 ARG 51 -4.982 -7.937 -21.835 319 HD2 ARG 51 HD2 ARG 51 -6.965 -9.034 -21.030 320 HD3 ARG 51 HD3 ARG 51 -7.423 -7.447 -21.653 321 HE ARG 51 HE ARG 51 -7.784 -9.038 -23.789 322 HH11 ARG 51 HH11 ARG 51 -8.921 -9.259 -20.478 323 HH12 ARG 51 HH12 ARG 51 -10.335 -10.161 -20.889 324 HH21 ARG 51 HH21 ARG 51 -9.670 -10.222 -24.339 325 HH22 ARG 51 HH22 ARG 51 -10.759 -10.710 -23.088 326 H SER 52 H SER 52 -4.379 -4.981 -24.565 327 HA SER 52 HA SER 52 -5.437 -4.391 -27.206 328 HB2 SER 52 HB2 SER 52 -4.522 -2.511 -25.019 329 HB3 SER 52 HB3 SER 52 -5.428 -2.075 -26.467 330 HG SER 52 HG SER 52 -7.028 -2.333 -25.095 Start of MODEL 2 1 HA ASN 1 HA ASN 1 11.690 4.344 -7.013 2 HB2 ASN 1 HB2 ASN 1 11.077 6.562 -6.040 3 HB3 ASN 1 HB3 ASN 1 9.387 6.190 -6.352 4 HD21 ASN 1 HD21 ASN 1 8.692 6.133 -4.287 5 HD22 ASN 1 HD22 ASN 1 9.207 4.962 -3.122 6 H GLU 2 H GLU 2 8.731 5.019 -8.713 7 HA GLU 2 HA GLU 2 7.285 2.818 -7.615 8 HB2 GLU 2 HB2 GLU 2 6.741 4.462 -10.089 9 HB3 GLU 2 HB3 GLU 2 5.612 3.345 -9.338 10 HG2 GLU 2 HG2 GLU 2 6.701 5.874 -8.127 11 HG3 GLU 2 HG3 GLU 2 5.067 5.612 -8.732 12 H LEU 3 H LEU 3 7.963 0.825 -7.977 13 HA LEU 3 HA LEU 3 9.474 0.036 -10.232 14 HB2 LEU 3 HB2 LEU 3 9.221 -1.017 -7.825 15 HB3 LEU 3 HB3 LEU 3 7.911 -1.908 -8.565 16 HG LEU 3 HG LEU 3 10.778 -1.973 -9.529 17 HD11 LEU 3 HD11 LEU 3 9.259 -3.957 -7.846 18 HD12 LEU 3 HD12 LEU 3 10.604 -2.946 -7.316 19 HD13 LEU 3 HD13 LEU 3 10.868 -4.201 -8.526 20 HD21 LEU 3 HD21 LEU 3 9.160 -2.486 -11.286 21 HD22 LEU 3 HD22 LEU 3 8.399 -3.689 -10.246 22 HD23 LEU 3 HD23 LEU 3 10.052 -3.931 -10.811 23 H ARG 4 H ARG 4 8.740 -0.163 -12.177 24 HA ARG 4 HA ARG 4 5.886 -0.642 -12.622 25 HB2 ARG 4 HB2 ARG 4 6.323 0.254 -14.886 26 HB3 ARG 4 HB3 ARG 4 6.712 1.395 -13.607 27 HG2 ARG 4 HG2 ARG 4 9.116 0.445 -13.856 28 HG3 ARG 4 HG3 ARG 4 8.539 -0.096 -15.431 29 HD2 ARG 4 HD2 ARG 4 9.632 2.094 -15.538 30 HD3 ARG 4 HD3 ARG 4 7.933 2.174 -16.012 31 HE ARG 4 HE ARG 4 7.783 2.798 -13.423 32 HH11 ARG 4 HH11 ARG 4 9.943 3.973 -15.915 33 HH12 ARG 4 HH12 ARG 4 10.120 5.535 -15.200 34 HH21 ARG 4 HH21 ARG 4 8.010 4.860 -12.474 35 HH22 ARG 4 HH22 ARG 4 9.022 6.044 -13.232 36 H CYS 5 H CYS 5 5.183 -2.206 -14.028 37 HA CYS 5 HA CYS 5 6.850 -4.509 -14.258 38 HB2 CYS 5 HB2 CYS 5 4.389 -4.605 -13.853 39 HB3 CYS 5 HB3 CYS 5 4.134 -3.987 -15.481 40 H GLY 6 H GLY 6 7.632 -5.459 -16.169 41 HA2 GLY 6 HA2 GLY 6 8.654 -3.685 -18.080 42 HA3 GLY 6 HA3 GLY 6 8.692 -5.434 -18.188 43 H CYS 7 H CYS 7 5.537 -5.149 -18.015 44 HA CYS 7 HA CYS 7 5.106 -5.304 -20.814 45 HB2 CYS 7 HB2 CYS 7 3.503 -5.652 -18.408 46 HB3 CYS 7 HB3 CYS 7 2.617 -4.771 -19.637 47 HA PRO 8 HA PRO 8 4.542 -1.128 -22.120 48 HB2 PRO 8 HB2 PRO 8 1.916 -1.832 -23.306 49 HB3 PRO 8 HB3 PRO 8 3.359 -1.178 -24.087 50 HG2 PRO 8 HG2 PRO 8 2.651 -3.723 -24.440 51 HG3 PRO 8 HG3 PRO 8 4.357 -3.261 -24.285 52 HD2 PRO 8 HD2 PRO 8 2.538 -4.499 -22.258 53 HD3 PRO 8 HD3 PRO 8 4.244 -4.848 -22.607 54 H ASP 9 H ASP 9 1.393 -2.475 -21.143 55 HA ASP 9 HA ASP 9 1.050 -0.145 -19.410 56 HB2 ASP 9 HB2 ASP 9 -0.314 0.332 -21.350 57 HB3 ASP 9 HB3 ASP 9 -1.050 -1.266 -21.274 58 H CYS 10 H CYS 10 1.788 -1.600 -17.819 59 HA CYS 10 HA CYS 10 -0.410 -3.213 -16.779 60 HB2 CYS 10 HB2 CYS 10 1.330 -4.637 -17.899 61 HB3 CYS 10 HB3 CYS 10 2.483 -4.058 -16.702 62 H HIS 11 H HIS 11 -0.748 -2.933 -14.616 63 HA HIS 11 HA HIS 11 1.246 -1.394 -13.108 64 HB2 HIS 11 HB2 HIS 11 -1.694 -0.681 -13.016 65 HB3 HIS 11 HB3 HIS 11 -0.354 0.205 -12.304 66 HD2 HIS 11 HD2 HIS 11 -1.752 -0.538 -15.904 67 HE1 HIS 11 HE1 HIS 11 0.407 3.106 -15.994 68 HE2 HIS 11 HE2 HIS 11 -0.962 1.457 -17.340 69 H CYS 12 H CYS 12 1.721 -3.109 -11.729 70 HA CYS 12 HA CYS 12 -0.427 -3.876 -9.914 71 HB2 CYS 12 HB2 CYS 12 1.280 -5.862 -11.406 72 HB3 CYS 12 HB3 CYS 12 0.214 -6.264 -10.064 73 H LYS 13 H LYS 13 0.317 -4.931 -7.973 74 HA LYS 13 HA LYS 13 2.546 -3.648 -6.833 75 HB2 LYS 13 HB2 LYS 13 2.123 -5.271 -4.888 76 HB3 LYS 13 HB3 LYS 13 0.829 -4.167 -5.310 77 HG2 LYS 13 HG2 LYS 13 0.751 -6.846 -6.583 78 HG3 LYS 13 HG3 LYS 13 0.443 -6.779 -4.847 79 HD2 LYS 13 HD2 LYS 13 -1.392 -5.273 -5.160 80 HD3 LYS 13 HD3 LYS 13 -0.995 -5.045 -6.860 81 HE2 LYS 13 HE2 LYS 13 -1.493 -7.440 -7.244 82 HE3 LYS 13 HE3 LYS 13 -1.993 -7.570 -5.559 83 HZ1 LYS 13 HZ1 LYS 13 -3.721 -5.940 -5.977 84 HZ2 LYS 13 HZ2 LYS 13 -3.881 -7.250 -7.028 85 HZ3 LYS 13 HZ3 LYS 13 -3.232 -5.799 -7.588 86 H VAL 14 H VAL 14 4.582 -4.066 -7.306 87 HA VAL 14 HA VAL 14 5.405 -6.859 -7.731 88 HB VAL 14 HB VAL 14 6.916 -4.362 -8.550 89 HG11 VAL 14 HG11 VAL 14 7.313 -7.266 -9.266 90 HG12 VAL 14 HG12 VAL 14 8.341 -6.301 -8.207 91 HG13 VAL 14 HG13 VAL 14 8.235 -5.915 -9.925 92 HG21 VAL 14 HG21 VAL 14 4.828 -4.512 -9.809 93 HG22 VAL 14 HG22 VAL 14 5.202 -6.176 -10.253 94 HG23 VAL 14 HG23 VAL 14 6.208 -4.857 -10.850 95 H ASP 15 H ASP 15 6.409 -7.745 -6.076 96 HA ASP 15 HA ASP 15 7.588 -6.064 -3.973 97 HB2 ASP 15 HB2 ASP 15 5.880 -8.021 -3.604 98 HB3 ASP 15 HB3 ASP 15 7.268 -9.032 -3.897 99 HA PRO 16 HA PRO 16 11.684 -7.233 -5.492 100 HB2 PRO 16 HB2 PRO 16 12.638 -6.564 -2.782 101 HB3 PRO 16 HB3 PRO 16 13.095 -5.858 -4.336 102 HG2 PRO 16 HG2 PRO 16 11.596 -4.508 -2.580 103 HG3 PRO 16 HG3 PRO 16 11.329 -4.367 -4.328 104 HD2 PRO 16 HD2 PRO 16 9.811 -5.956 -2.295 105 HD3 PRO 16 HD3 PRO 16 9.203 -4.975 -3.647 106 H GLU 17 H GLU 17 10.273 -8.424 -2.511 107 HA GLU 17 HA GLU 17 12.248 -10.436 -2.023 108 HB2 GLU 17 HB2 GLU 17 10.871 -9.491 -0.222 109 HB3 GLU 17 HB3 GLU 17 9.424 -10.124 -0.981 110 HG2 GLU 17 HG2 GLU 17 10.212 -12.401 -0.570 111 HG3 GLU 17 HG3 GLU 17 11.666 -11.754 0.191 112 H ARG 18 H ARG 18 9.276 -10.234 -3.851 113 HA ARG 18 HA ARG 18 9.725 -13.002 -4.788 114 HB2 ARG 18 HB2 ARG 18 7.253 -13.168 -5.107 115 HB3 ARG 18 HB3 ARG 18 7.763 -13.079 -3.427 116 HG2 ARG 18 HG2 ARG 18 6.986 -10.904 -3.196 117 HG3 ARG 18 HG3 ARG 18 6.875 -10.671 -4.946 118 HD2 ARG 18 HD2 ARG 18 5.272 -12.782 -3.577 119 HD3 ARG 18 HD3 ARG 18 4.722 -11.108 -3.593 120 HE ARG 18 HE ARG 18 4.900 -11.287 -6.087 121 HH11 ARG 18 HH11 ARG 18 4.348 -14.155 -4.129 122 HH12 ARG 18 HH12 ARG 18 3.457 -14.977 -5.361 123 HH21 ARG 18 HH21 ARG 18 3.703 -12.399 -7.720 124 HH22 ARG 18 HH22 ARG 18 3.085 -13.979 -7.388 125 H VAL 19 H VAL 19 10.703 -10.551 -5.908 126 HA VAL 19 HA VAL 19 9.053 -9.769 -8.087 127 HB VAL 19 HB VAL 19 10.700 -8.219 -7.121 128 HG11 VAL 19 HG11 VAL 19 12.484 -9.758 -6.585 129 HG12 VAL 19 HG12 VAL 19 13.092 -8.462 -7.614 130 HG13 VAL 19 HG13 VAL 19 12.775 -10.056 -8.298 131 HG21 VAL 19 HG21 VAL 19 11.634 -7.348 -9.219 132 HG22 VAL 19 HG22 VAL 19 9.945 -7.829 -9.394 133 HG23 VAL 19 HG23 VAL 19 11.227 -8.867 -10.018 134 H PHE 20 H PHE 20 9.024 -10.444 -10.139 135 HA PHE 20 HA PHE 20 10.599 -12.811 -10.746 136 HB2 PHE 20 HB2 PHE 20 8.175 -11.593 -12.074 137 HB3 PHE 20 HB3 PHE 20 9.054 -12.968 -12.738 138 HD1 PHE 20 HD1 PHE 20 7.465 -11.893 -9.521 139 HD2 PHE 20 HD2 PHE 20 8.285 -15.075 -12.230 140 HE1 PHE 20 HE1 PHE 20 6.125 -13.416 -8.134 141 HE2 PHE 20 HE2 PHE 20 6.946 -16.603 -10.842 142 HZ PHE 20 HZ PHE 20 5.863 -15.775 -8.793 143 H ASN 21 H ASN 21 12.498 -12.374 -11.533 144 HA ASN 21 HA ASN 21 12.821 -10.106 -13.355 145 HB2 ASN 21 HB2 ASN 21 14.354 -10.221 -11.415 146 HB3 ASN 21 HB3 ASN 21 14.922 -11.791 -11.972 147 HD21 ASN 21 HD21 ASN 21 16.147 -11.893 -13.906 148 HD22 ASN 21 HD22 ASN 21 16.998 -10.507 -14.487 149 H HIS 22 H HIS 22 12.612 -10.605 -15.395 150 HA HIS 22 HA HIS 22 13.921 -13.037 -16.368 151 HB2 HIS 22 HB2 HIS 22 11.335 -13.183 -16.025 152 HB3 HIS 22 HB3 HIS 22 11.261 -12.200 -17.482 153 HD2 HIS 22 HD2 HIS 22 11.627 -13.595 -19.842 154 HE1 HIS 22 HE1 HIS 22 12.433 -17.356 -18.062 155 HE2 HIS 22 HE2 HIS 22 11.612 -16.169 -20.105 156 H ASP 23 H ASP 23 15.079 -12.694 -18.170 157 HA ASP 23 HA ASP 23 16.118 -11.626 -19.866 158 HB2 ASP 23 HB2 ASP 23 13.816 -11.654 -20.871 159 HB3 ASP 23 HB3 ASP 23 13.535 -10.060 -20.186 160 H GLY 24 H GLY 24 16.025 -10.558 -17.077 161 HA2 GLY 24 HA2 GLY 24 17.329 -8.918 -16.070 162 HA3 GLY 24 HA3 GLY 24 17.500 -8.130 -17.630 163 H GLU 25 H GLU 25 14.268 -8.771 -17.033 164 HA GLU 25 HA GLU 25 13.886 -6.082 -15.913 165 HB2 GLU 25 HB2 GLU 25 12.650 -7.391 -18.261 166 HB3 GLU 25 HB3 GLU 25 11.603 -6.388 -17.263 167 HG2 GLU 25 HG2 GLU 25 12.903 -4.490 -17.616 168 HG3 GLU 25 HG3 GLU 25 14.238 -5.415 -18.306 169 H ALA 26 H ALA 26 12.033 -5.726 -14.639 170 HA ALA 26 HA ALA 26 11.287 -8.096 -13.116 171 HB1 ALA 26 HB1 ALA 26 12.229 -6.198 -11.893 172 HB2 ALA 26 HB2 ALA 26 10.568 -6.522 -11.399 173 HB3 ALA 26 HB3 ALA 26 10.919 -5.173 -12.477 174 H TYR 27 H TYR 27 9.257 -8.822 -12.947 175 HA TYR 27 HA TYR 27 7.090 -7.277 -14.187 176 HB2 TYR 27 HB2 TYR 27 7.601 -10.236 -14.593 177 HB3 TYR 27 HB3 TYR 27 6.202 -9.351 -15.190 178 HD1 TYR 27 HD1 TYR 27 9.759 -10.039 -15.674 179 HD2 TYR 27 HD2 TYR 27 6.432 -7.775 -17.055 180 HE1 TYR 27 HE1 TYR 27 10.993 -9.489 -17.723 181 HE2 TYR 27 HE2 TYR 27 7.648 -7.219 -19.113 182 HH TYR 27 HH TYR 27 10.216 -7.043 -19.729 183 H CYS 28 H CYS 28 4.915 -8.035 -13.477 184 HA CYS 28 HA CYS 28 4.938 -8.447 -10.627 185 HB2 CYS 28 HB2 CYS 28 2.519 -8.160 -10.774 186 HB3 CYS 28 HB3 CYS 28 3.338 -6.908 -11.701 187 H SER 29 H SER 29 4.488 -10.380 -13.433 188 HA SER 29 HA SER 29 4.046 -12.733 -11.766 189 HB2 SER 29 HB2 SER 29 1.814 -12.127 -12.453 190 HB3 SER 29 HB3 SER 29 2.335 -11.889 -14.118 191 HG SER 29 HG SER 29 1.766 -14.235 -12.739 192 H GLN 30 H GLN 30 4.546 -14.747 -12.893 193 HA GLN 30 HA GLN 30 6.848 -14.524 -14.550 194 HB2 GLN 30 HB2 GLN 30 6.293 -16.424 -12.908 195 HB3 GLN 30 HB3 GLN 30 5.193 -17.029 -14.134 196 HG2 GLN 30 HG2 GLN 30 7.006 -17.412 -15.664 197 HG3 GLN 30 HG3 GLN 30 8.147 -16.614 -14.584 198 HE21 GLN 30 HE21 GLN 30 9.478 -18.406 -14.419 199 HE22 GLN 30 HE22 GLN 30 9.028 -19.836 -13.561 200 H ALA 31 H ALA 31 3.470 -14.595 -15.075 201 HA ALA 31 HA ALA 31 3.407 -15.557 -17.727 202 HB1 ALA 31 HB1 ALA 31 1.382 -15.374 -16.336 203 HB2 ALA 31 HB2 ALA 31 1.193 -14.530 -17.868 204 HB3 ALA 31 HB3 ALA 31 1.509 -13.615 -16.392 205 H CYS 32 H CYS 32 3.402 -12.175 -16.485 206 HA CYS 32 HA CYS 32 3.738 -10.927 -18.987 207 HB2 CYS 32 HB2 CYS 32 4.508 -10.045 -16.196 208 HB3 CYS 32 HB3 CYS 32 4.794 -9.033 -17.603 209 H ALA 33 H ALA 33 6.040 -12.174 -16.650 210 HA ALA 33 HA ALA 33 8.426 -11.237 -17.727 211 HB1 ALA 33 HB1 ALA 33 8.253 -12.274 -15.529 212 HB2 ALA 33 HB2 ALA 33 9.484 -13.073 -16.508 213 HB3 ALA 33 HB3 ALA 33 7.911 -13.831 -16.283 214 H GLU 34 H GLU 34 6.625 -14.171 -18.449 215 HA GLU 34 HA GLU 34 8.557 -15.007 -20.439 216 HB2 GLU 34 HB2 GLU 34 6.158 -16.195 -19.144 217 HB3 GLU 34 HB3 GLU 34 6.682 -16.825 -20.699 218 HG2 GLU 34 HG2 GLU 34 8.584 -16.572 -18.415 219 HG3 GLU 34 HG3 GLU 34 7.519 -17.969 -18.587 220 H GLN 35 H GLN 35 6.417 -12.656 -20.594 221 HA GLN 35 HA GLN 35 5.296 -11.579 -22.258 222 HB2 GLN 35 HB2 GLN 35 6.745 -13.586 -23.997 223 HB3 GLN 35 HB3 GLN 35 5.806 -12.239 -24.626 224 HG2 GLN 35 HG2 GLN 35 8.163 -11.942 -22.784 225 HG3 GLN 35 HG3 GLN 35 8.251 -11.833 -24.540 226 HE21 GLN 35 HE21 GLN 35 7.077 -10.319 -21.627 227 HE22 GLN 35 HE22 GLN 35 6.730 -8.785 -22.341 228 H HIS 36 H HIS 36 4.118 -13.773 -20.841 229 HA HIS 36 HA HIS 36 2.274 -15.077 -20.758 230 HB2 HIS 36 HB2 HIS 36 1.324 -13.409 -23.106 231 HB3 HIS 36 HB3 HIS 36 0.311 -14.334 -22.004 232 HD1 HIS 36 HD1 HIS 36 -0.050 -13.334 -19.606 233 HD2 HIS 36 HD2 HIS 36 2.155 -10.919 -22.173 234 HE1 HIS 36 HE1 HIS 36 0.031 -11.058 -18.506 235 HA PRO 37 HA PRO 37 4.036 -17.601 -24.269 236 HB2 PRO 37 HB2 PRO 37 4.693 -19.761 -22.773 237 HB3 PRO 37 HB3 PRO 37 5.750 -18.354 -22.936 238 HG2 PRO 37 HG2 PRO 37 3.846 -19.042 -20.725 239 HG3 PRO 37 HG3 PRO 37 5.519 -18.464 -20.613 240 HD2 PRO 37 HD2 PRO 37 3.419 -16.813 -20.284 241 HD3 PRO 37 HD3 PRO 37 4.915 -16.263 -21.063 242 H ASN 38 H ASN 38 1.806 -18.479 -21.705 243 HA ASN 38 HA ASN 38 0.566 -20.486 -23.460 244 HB2 ASN 38 HB2 ASN 38 0.582 -20.105 -20.482 245 HB3 ASN 38 HB3 ASN 38 -0.689 -21.044 -21.252 246 HD21 ASN 38 HD21 ASN 38 2.458 -21.069 -22.671 247 HD22 ASN 38 HD22 ASN 38 2.901 -22.658 -22.166 248 H GLY 39 H GLY 39 0.300 -17.415 -23.264 249 HA2 GLY 39 HA2 GLY 39 -1.397 -15.990 -23.900 250 HA3 GLY 39 HA3 GLY 39 -2.488 -17.365 -23.914 251 H GLU 40 H GLU 40 -1.213 -17.583 -20.973 252 HA GLU 40 HA GLU 40 -3.518 -16.483 -19.734 253 HB2 GLU 40 HB2 GLU 40 -2.274 -17.170 -17.583 254 HB3 GLU 40 HB3 GLU 40 -2.800 -18.425 -18.680 255 HG2 GLU 40 HG2 GLU 40 -0.442 -18.387 -19.623 256 HG3 GLU 40 HG3 GLU 40 -0.020 -17.396 -18.226 257 HA PRO 41 HA PRO 41 -1.835 -12.370 -19.139 258 HB2 PRO 41 HB2 PRO 41 -4.326 -11.907 -17.652 259 HB3 PRO 41 HB3 PRO 41 -3.745 -11.128 -19.126 260 HG2 PRO 41 HG2 PRO 41 -5.827 -12.828 -19.144 261 HG3 PRO 41 HG3 PRO 41 -4.692 -12.718 -20.500 262 HD2 PRO 41 HD2 PRO 41 -4.836 -14.755 -18.308 263 HD3 PRO 41 HD3 PRO 41 -4.547 -14.978 -20.048 264 H CYS 42 H CYS 42 -2.050 -10.816 -17.047 265 HA CYS 42 HA CYS 42 -0.795 -12.329 -14.935 266 HB2 CYS 42 HB2 CYS 42 -0.148 -10.174 -14.027 267 HB3 CYS 42 HB3 CYS 42 0.100 -10.140 -15.769 268 HA PRO 43 HA PRO 43 -4.267 -12.687 -12.217 269 HB2 PRO 43 HB2 PRO 43 -3.206 -12.191 -9.770 270 HB3 PRO 43 HB3 PRO 43 -2.849 -13.655 -10.691 271 HG2 PRO 43 HG2 PRO 43 -1.247 -11.138 -10.444 272 HG3 PRO 43 HG3 PRO 43 -0.701 -12.823 -10.346 273 HD2 PRO 43 HD2 PRO 43 -0.399 -11.363 -12.574 274 HD3 PRO 43 HD3 PRO 43 -0.740 -13.102 -12.637 275 H ALA 44 H ALA 44 -4.360 -10.150 -13.414 276 HA ALA 44 HA ALA 44 -5.565 -8.590 -11.249 277 HB1 ALA 44 HB1 ALA 44 -3.881 -7.458 -13.486 278 HB2 ALA 44 HB2 ALA 44 -3.420 -7.544 -11.785 279 HB3 ALA 44 HB3 ALA 44 -4.764 -6.516 -12.286 280 HA PRO 45 HA PRO 45 -8.819 -9.312 -14.293 281 HB2 PRO 45 HB2 PRO 45 -10.849 -8.412 -12.715 282 HB3 PRO 45 HB3 PRO 45 -10.165 -10.037 -12.588 283 HG2 PRO 45 HG2 PRO 45 -9.596 -7.610 -10.934 284 HG3 PRO 45 HG3 PRO 45 -9.840 -9.287 -10.412 285 HD2 PRO 45 HD2 PRO 45 -7.400 -8.187 -10.620 286 HD3 PRO 45 HD3 PRO 45 -7.694 -9.902 -10.975 287 H ASP 46 H ASP 46 -7.919 -6.381 -12.713 288 HA ASP 46 HA ASP 46 -9.703 -4.726 -14.313 289 HB2 ASP 46 HB2 ASP 46 -7.573 -3.930 -12.317 290 HB3 ASP 46 HB3 ASP 46 -8.737 -2.844 -13.067 291 H CYS 47 H CYS 47 -6.734 -6.158 -14.724 292 HA CYS 47 HA CYS 47 -5.601 -3.955 -16.251 293 HB2 CYS 47 HB2 CYS 47 -4.296 -5.385 -14.565 294 HB3 CYS 47 HB3 CYS 47 -4.329 -6.640 -15.801 295 H HIS 48 H HIS 48 -4.889 -4.250 -18.437 296 HA HIS 48 HA HIS 48 -6.147 -6.481 -19.891 297 HB2 HIS 48 HB2 HIS 48 -6.392 -3.559 -20.642 298 HB3 HIS 48 HB3 HIS 48 -6.899 -4.901 -21.654 299 HD1 HIS 48 HD1 HIS 48 -8.099 -2.622 -19.107 300 HD2 HIS 48 HD2 HIS 48 -9.091 -6.439 -20.420 301 HE1 HIS 48 HE1 HIS 48 -10.413 -3.046 -18.253 302 HE2 HIS 48 HE2 HIS 48 -11.071 -5.259 -19.255 303 H CYS 49 H CYS 49 -3.361 -5.839 -19.139 304 HA CYS 49 HA CYS 49 -1.955 -4.780 -21.338 305 HB2 CYS 49 HB2 CYS 49 0.032 -5.715 -20.305 306 HB3 CYS 49 HB3 CYS 49 -1.005 -5.021 -19.062 307 H GLU 50 H GLU 50 -0.837 -5.767 -23.011 308 HA GLU 50 HA GLU 50 -0.208 -7.306 -24.564 309 HB2 GLU 50 HB2 GLU 50 0.509 -8.551 -22.509 310 HB3 GLU 50 HB3 GLU 50 -1.027 -9.397 -22.544 311 HG2 GLU 50 HG2 GLU 50 0.601 -10.828 -23.488 312 HG3 GLU 50 HG3 GLU 50 -0.412 -10.248 -24.806 313 H ARG 51 H ARG 51 -3.378 -6.859 -23.720 314 HA ARG 51 HA ARG 51 -4.622 -9.073 -24.942 315 HB2 ARG 51 HB2 ARG 51 -6.699 -7.844 -24.880 316 HB3 ARG 51 HB3 ARG 51 -5.826 -7.595 -23.383 317 HG2 ARG 51 HG2 ARG 51 -6.421 -5.454 -23.712 318 HG3 ARG 51 HG3 ARG 51 -5.015 -5.432 -24.774 319 HD2 ARG 51 HD2 ARG 51 -6.374 -5.741 -26.712 320 HD3 ARG 51 HD3 ARG 51 -7.796 -6.097 -25.732 321 HE ARG 51 HE ARG 51 -6.905 -3.558 -25.027 322 HH11 ARG 51 HH11 ARG 51 -8.202 -5.160 -27.851 323 HH12 ARG 51 HH12 ARG 51 -8.994 -3.749 -28.454 324 HH21 ARG 51 HH21 ARG 51 -7.955 -1.683 -25.806 325 HH22 ARG 51 HH22 ARG 51 -8.846 -1.751 -27.286 326 H SER 52 H SER 52 -3.560 -6.001 -26.277 327 HA SER 52 HA SER 52 -3.437 -5.213 -28.409 328 HB2 SER 52 HB2 SER 52 -2.868 -8.134 -28.912 329 HB3 SER 52 HB3 SER 52 -2.493 -6.820 -30.028 330 HG SER 52 HG SER 52 -0.948 -7.710 -28.151 Start of MODEL 3 1 HA ASN 1 HA ASN 1 10.757 5.783 -7.913 2 HB2 ASN 1 HB2 ASN 1 13.293 4.171 -8.302 3 HB3 ASN 1 HB3 ASN 1 12.023 4.359 -9.504 4 HD21 ASN 1 HD21 ASN 1 14.677 5.857 -7.881 5 HD22 ASN 1 HD22 ASN 1 14.785 7.251 -8.898 6 H GLU 2 H GLU 2 9.150 4.363 -8.107 7 HA GLU 2 HA GLU 2 9.029 2.106 -6.318 8 HB2 GLU 2 HB2 GLU 2 7.091 3.005 -8.460 9 HB3 GLU 2 HB3 GLU 2 6.765 1.811 -7.216 10 HG2 GLU 2 HG2 GLU 2 6.983 3.529 -5.498 11 HG3 GLU 2 HG3 GLU 2 7.341 4.728 -6.740 12 H LEU 3 H LEU 3 8.307 -0.067 -7.202 13 HA LEU 3 HA LEU 3 10.011 -0.711 -9.459 14 HB2 LEU 3 HB2 LEU 3 10.093 -2.102 -7.411 15 HB3 LEU 3 HB3 LEU 3 8.423 -2.562 -7.682 16 HG LEU 3 HG LEU 3 8.994 -3.764 -9.677 17 HD11 LEU 3 HD11 LEU 3 11.351 -3.924 -10.427 18 HD12 LEU 3 HD12 LEU 3 11.745 -2.618 -9.304 19 HD13 LEU 3 HD13 LEU 3 10.622 -2.333 -10.636 20 HD21 LEU 3 HD21 LEU 3 10.467 -5.478 -8.782 21 HD22 LEU 3 HD22 LEU 3 9.339 -4.929 -7.543 22 HD23 LEU 3 HD23 LEU 3 11.013 -4.375 -7.521 23 H ARG 4 H ARG 4 9.314 -1.144 -11.430 24 HA ARG 4 HA ARG 4 6.419 -1.182 -11.840 25 HB2 ARG 4 HB2 ARG 4 6.914 -0.001 -14.023 26 HB3 ARG 4 HB3 ARG 4 7.208 0.943 -12.569 27 HG2 ARG 4 HG2 ARG 4 9.654 0.069 -12.828 28 HG3 ARG 4 HG3 ARG 4 9.164 -0.232 -14.493 29 HD2 ARG 4 HD2 ARG 4 8.512 2.140 -14.709 30 HD3 ARG 4 HD3 ARG 4 9.047 2.424 -13.053 31 HE ARG 4 HE ARG 4 10.991 1.326 -14.922 32 HH11 ARG 4 HH11 ARG 4 9.782 4.122 -13.188 33 HH12 ARG 4 HH12 ARG 4 11.227 5.045 -13.414 34 HH21 ARG 4 HH21 ARG 4 12.913 2.561 -15.221 35 HH22 ARG 4 HH22 ARG 4 13.005 4.159 -14.562 36 H CYS 5 H CYS 5 5.571 -2.447 -13.520 37 HA CYS 5 HA CYS 5 7.060 -4.855 -14.079 38 HB2 CYS 5 HB2 CYS 5 4.592 -4.796 -13.518 39 HB3 CYS 5 HB3 CYS 5 4.308 -4.048 -15.081 40 H GLY 6 H GLY 6 7.928 -5.485 -16.033 41 HA2 GLY 6 HA2 GLY 6 8.708 -3.514 -17.871 42 HA3 GLY 6 HA3 GLY 6 8.887 -5.242 -18.090 43 H CYS 7 H CYS 7 5.741 -5.293 -17.817 44 HA CYS 7 HA CYS 7 5.230 -5.447 -20.585 45 HB2 CYS 7 HB2 CYS 7 3.797 -5.988 -18.176 46 HB3 CYS 7 HB3 CYS 7 2.778 -5.006 -19.224 47 HA PRO 8 HA PRO 8 4.596 -1.283 -21.816 48 HB2 PRO 8 HB2 PRO 8 2.748 -1.533 -23.797 49 HB3 PRO 8 HB3 PRO 8 4.440 -2.011 -23.979 50 HG2 PRO 8 HG2 PRO 8 2.051 -3.708 -23.360 51 HG3 PRO 8 HG3 PRO 8 3.377 -4.016 -24.498 52 HD2 PRO 8 HD2 PRO 8 3.296 -5.161 -22.068 53 HD3 PRO 8 HD3 PRO 8 4.827 -4.675 -22.824 54 H ASP 9 H ASP 9 1.587 -3.053 -21.119 55 HA ASP 9 HA ASP 9 0.468 -0.487 -20.216 56 HB2 ASP 9 HB2 ASP 9 -0.396 -1.326 -22.498 57 HB3 ASP 9 HB3 ASP 9 -1.268 -2.539 -21.563 58 H CYS 10 H CYS 10 1.694 -2.533 -18.648 59 HA CYS 10 HA CYS 10 -0.551 -3.767 -17.259 60 HB2 CYS 10 HB2 CYS 10 1.617 -4.995 -17.774 61 HB3 CYS 10 HB3 CYS 10 2.375 -3.992 -16.541 62 H HIS 11 H HIS 11 -0.908 -3.350 -14.961 63 HA HIS 11 HA HIS 11 0.250 -0.797 -14.000 64 HB2 HIS 11 HB2 HIS 11 -2.700 -1.449 -13.815 65 HB3 HIS 11 HB3 HIS 11 -1.914 0.062 -13.382 66 HD2 HIS 11 HD2 HIS 11 -0.872 1.466 -15.762 67 HE1 HIS 11 HE1 HIS 11 -3.754 -0.361 -18.270 68 HE2 HIS 11 HE2 HIS 11 -2.188 1.581 -17.980 69 H CYS 12 H CYS 12 0.859 -3.488 -13.122 70 HA CYS 12 HA CYS 12 -0.598 -3.677 -10.604 71 HB2 CYS 12 HB2 CYS 12 1.104 -5.648 -12.065 72 HB3 CYS 12 HB3 CYS 12 0.501 -5.919 -10.429 73 H LYS 13 H LYS 13 0.542 -4.480 -8.721 74 HA LYS 13 HA LYS 13 2.920 -2.842 -8.225 75 HB2 LYS 13 HB2 LYS 13 0.963 -4.134 -6.292 76 HB3 LYS 13 HB3 LYS 13 2.286 -3.069 -5.850 77 HG2 LYS 13 HG2 LYS 13 1.027 -1.258 -6.168 78 HG3 LYS 13 HG3 LYS 13 0.579 -1.786 -7.788 79 HD2 LYS 13 HD2 LYS 13 -0.749 -2.768 -5.249 80 HD3 LYS 13 HD3 LYS 13 -1.375 -1.456 -6.249 81 HE2 LYS 13 HE2 LYS 13 -1.541 -3.007 -8.150 82 HE3 LYS 13 HE3 LYS 13 -0.927 -4.305 -7.134 83 HZ1 LYS 13 HZ1 LYS 13 -3.477 -2.841 -6.716 84 HZ2 LYS 13 HZ2 LYS 13 -2.885 -4.077 -5.727 85 HZ3 LYS 13 HZ3 LYS 13 -3.317 -4.407 -7.322 86 H VAL 14 H VAL 14 4.798 -3.942 -8.241 87 HA VAL 14 HA VAL 14 4.708 -6.820 -7.678 88 HB VAL 14 HB VAL 14 5.367 -6.397 -9.945 89 HG11 VAL 14 HG11 VAL 14 7.395 -5.095 -10.493 90 HG12 VAL 14 HG12 VAL 14 7.452 -4.567 -8.809 91 HG13 VAL 14 HG13 VAL 14 6.079 -4.131 -9.823 92 HG21 VAL 14 HG21 VAL 14 7.803 -7.117 -8.321 93 HG22 VAL 14 HG22 VAL 14 7.557 -7.461 -10.035 94 HG23 VAL 14 HG23 VAL 14 6.528 -8.227 -8.824 95 H ASP 15 H ASP 15 6.221 -7.776 -6.335 96 HA ASP 15 HA ASP 15 7.558 -5.951 -4.452 97 HB2 ASP 15 HB2 ASP 15 7.104 -8.909 -4.079 98 HB3 ASP 15 HB3 ASP 15 7.456 -7.705 -2.846 99 HA PRO 16 HA PRO 16 11.466 -7.327 -6.219 100 HB2 PRO 16 HB2 PRO 16 12.656 -6.290 -3.732 101 HB3 PRO 16 HB3 PRO 16 12.950 -5.797 -5.402 102 HG2 PRO 16 HG2 PRO 16 11.598 -4.236 -3.695 103 HG3 PRO 16 HG3 PRO 16 11.178 -4.315 -5.414 104 HD2 PRO 16 HD2 PRO 16 9.854 -5.630 -3.075 105 HD3 PRO 16 HD3 PRO 16 9.130 -4.841 -4.492 106 H GLU 17 H GLU 17 10.169 -8.205 -3.151 107 HA GLU 17 HA GLU 17 12.222 -10.071 -2.441 108 HB2 GLU 17 HB2 GLU 17 9.522 -9.399 -1.341 109 HB3 GLU 17 HB3 GLU 17 10.315 -10.880 -0.831 110 HG2 GLU 17 HG2 GLU 17 10.734 -9.117 0.766 111 HG3 GLU 17 HG3 GLU 17 12.232 -9.573 -0.034 112 H ARG 18 H ARG 18 9.439 -10.190 -4.466 113 HA ARG 18 HA ARG 18 10.007 -13.014 -5.007 114 HB2 ARG 18 HB2 ARG 18 7.607 -13.553 -5.171 115 HB3 ARG 18 HB3 ARG 18 8.058 -13.077 -3.543 116 HG2 ARG 18 HG2 ARG 18 6.962 -11.015 -3.722 117 HG3 ARG 18 HG3 ARG 18 6.857 -11.127 -5.481 118 HD2 ARG 18 HD2 ARG 18 5.220 -12.845 -5.358 119 HD3 ARG 18 HD3 ARG 18 5.476 -13.059 -3.626 120 HE ARG 18 HE ARG 18 4.656 -10.404 -4.120 121 HH11 ARG 18 HH11 ARG 18 3.395 -13.671 -4.203 122 HH12 ARG 18 HH12 ARG 18 1.773 -13.194 -3.838 123 HH21 ARG 18 HH21 ARG 18 2.513 -9.766 -3.630 124 HH22 ARG 18 HH22 ARG 18 1.267 -10.964 -3.505 125 H VAL 19 H VAL 19 10.652 -10.534 -6.317 126 HA VAL 19 HA VAL 19 8.904 -10.248 -8.568 127 HB VAL 19 HB VAL 19 10.144 -8.301 -7.713 128 HG11 VAL 19 HG11 VAL 19 12.610 -9.754 -8.663 129 HG12 VAL 19 HG12 VAL 19 12.194 -9.376 -6.991 130 HG13 VAL 19 HG13 VAL 19 12.557 -8.076 -8.125 131 HG21 VAL 19 HG21 VAL 19 9.434 -8.288 -10.031 132 HG22 VAL 19 HG22 VAL 19 10.928 -9.089 -10.514 133 HG23 VAL 19 HG23 VAL 19 10.977 -7.452 -9.859 134 H PHE 20 H PHE 20 9.099 -11.112 -10.534 135 HA PHE 20 HA PHE 20 11.237 -13.029 -10.901 136 HB2 PHE 20 HB2 PHE 20 8.597 -12.600 -12.264 137 HB3 PHE 20 HB3 PHE 20 9.851 -13.598 -13.004 138 HD1 PHE 20 HD1 PHE 20 8.130 -13.167 -9.718 139 HD2 PHE 20 HD2 PHE 20 9.854 -15.843 -12.541 140 HE1 PHE 20 HE1 PHE 20 7.471 -15.073 -8.310 141 HE2 PHE 20 HE2 PHE 20 9.205 -17.745 -11.142 142 HZ PHE 20 HZ PHE 20 8.014 -17.367 -9.019 143 H ASN 21 H ASN 21 12.990 -12.279 -11.648 144 HA ASN 21 HA ASN 21 12.996 -9.946 -13.365 145 HB2 ASN 21 HB2 ASN 21 14.572 -9.991 -11.502 146 HB3 ASN 21 HB3 ASN 21 15.253 -11.504 -12.090 147 HD21 ASN 21 HD21 ASN 21 16.503 -11.486 -13.983 148 HD22 ASN 21 HD22 ASN 21 17.256 -10.037 -14.548 149 H HIS 22 H HIS 22 12.765 -10.285 -15.427 150 HA HIS 22 HA HIS 22 14.330 -12.444 -16.624 151 HB2 HIS 22 HB2 HIS 22 11.803 -12.939 -16.434 152 HB3 HIS 22 HB3 HIS 22 11.595 -11.688 -17.652 153 HD2 HIS 22 HD2 HIS 22 11.456 -12.785 -20.105 154 HE1 HIS 22 HE1 HIS 22 13.976 -16.129 -19.434 155 HE2 HIS 22 HE2 HIS 22 12.717 -14.791 -21.146 156 H ASP 23 H ASP 23 15.533 -11.808 -18.296 157 HA ASP 23 HA ASP 23 16.539 -10.494 -19.849 158 HB2 ASP 23 HB2 ASP 23 13.829 -9.140 -19.978 159 HB3 ASP 23 HB3 ASP 23 15.172 -8.742 -21.041 160 H GLY 24 H GLY 24 16.347 -9.837 -16.942 161 HA2 GLY 24 HA2 GLY 24 17.366 -8.263 -15.594 162 HA3 GLY 24 HA3 GLY 24 17.750 -7.339 -17.042 163 H GLU 25 H GLU 25 14.492 -8.322 -16.384 164 HA GLU 25 HA GLU 25 13.833 -5.616 -15.480 165 HB2 GLU 25 HB2 GLU 25 12.650 -7.140 -17.769 166 HB3 GLU 25 HB3 GLU 25 11.726 -5.897 -16.934 167 HG2 GLU 25 HG2 GLU 25 13.255 -4.232 -17.509 168 HG3 GLU 25 HG3 GLU 25 14.450 -5.403 -18.075 169 H ALA 26 H ALA 26 11.716 -5.435 -14.508 170 HA ALA 26 HA ALA 26 11.181 -7.790 -12.864 171 HB1 ALA 26 HB1 ALA 26 11.781 -5.765 -11.674 172 HB2 ALA 26 HB2 ALA 26 10.107 -6.206 -11.332 173 HB3 ALA 26 HB3 ALA 26 10.461 -4.894 -12.455 174 H TYR 27 H TYR 27 9.165 -8.653 -12.661 175 HA TYR 27 HA TYR 27 6.957 -7.460 -14.166 176 HB2 TYR 27 HB2 TYR 27 7.818 -10.356 -14.360 177 HB3 TYR 27 HB3 TYR 27 6.346 -9.689 -15.057 178 HD1 TYR 27 HD1 TYR 27 9.947 -10.060 -15.432 179 HD2 TYR 27 HD2 TYR 27 6.487 -8.106 -16.963 180 HE1 TYR 27 HE1 TYR 27 11.175 -9.498 -17.480 181 HE2 TYR 27 HE2 TYR 27 7.706 -7.545 -19.021 182 HH TYR 27 HH TYR 27 10.772 -8.935 -19.745 183 H CYS 28 H CYS 28 4.875 -8.030 -13.357 184 HA CYS 28 HA CYS 28 4.872 -8.411 -10.526 185 HB2 CYS 28 HB2 CYS 28 2.465 -8.122 -10.655 186 HB3 CYS 28 HB3 CYS 28 3.260 -6.930 -11.675 187 H SER 29 H SER 29 4.211 -10.469 -13.252 188 HA SER 29 HA SER 29 3.860 -12.722 -11.415 189 HB2 SER 29 HB2 SER 29 1.625 -11.985 -12.163 190 HB3 SER 29 HB3 SER 29 2.135 -12.148 -13.842 191 HG SER 29 HG SER 29 1.917 -14.211 -11.903 192 H GLN 30 H GLN 30 4.252 -14.826 -12.472 193 HA GLN 30 HA GLN 30 6.623 -14.853 -13.978 194 HB2 GLN 30 HB2 GLN 30 4.597 -17.107 -13.757 195 HB3 GLN 30 HB3 GLN 30 6.296 -17.253 -14.190 196 HG2 GLN 30 HG2 GLN 30 6.929 -16.495 -11.944 197 HG3 GLN 30 HG3 GLN 30 5.228 -16.390 -11.507 198 HE21 GLN 30 HE21 GLN 30 6.459 -18.942 -13.531 199 HE22 GLN 30 HE22 GLN 30 6.282 -20.216 -12.382 200 H ALA 31 H ALA 31 3.260 -14.845 -14.885 201 HA ALA 31 HA ALA 31 3.448 -15.670 -17.554 202 HB1 ALA 31 HB1 ALA 31 1.262 -14.620 -17.858 203 HB2 ALA 31 HB2 ALA 31 1.442 -13.784 -16.316 204 HB3 ALA 31 HB3 ALA 31 1.324 -15.544 -16.359 205 H CYS 32 H CYS 32 3.444 -12.342 -16.224 206 HA CYS 32 HA CYS 32 3.740 -11.037 -18.703 207 HB2 CYS 32 HB2 CYS 32 4.351 -10.189 -15.874 208 HB3 CYS 32 HB3 CYS 32 4.796 -9.159 -17.225 209 H ALA 33 H ALA 33 6.095 -12.357 -16.453 210 HA ALA 33 HA ALA 33 8.425 -11.260 -17.556 211 HB1 ALA 33 HB1 ALA 33 8.366 -12.357 -15.370 212 HB2 ALA 33 HB2 ALA 33 9.615 -13.052 -16.407 213 HB3 ALA 33 HB3 ALA 33 8.096 -13.914 -16.158 214 H GLU 34 H GLU 34 6.714 -14.242 -18.293 215 HA GLU 34 HA GLU 34 8.635 -14.942 -20.348 216 HB2 GLU 34 HB2 GLU 34 6.423 -16.282 -18.934 217 HB3 GLU 34 HB3 GLU 34 6.750 -16.804 -20.582 218 HG2 GLU 34 HG2 GLU 34 8.845 -16.690 -18.436 219 HG3 GLU 34 HG3 GLU 34 7.897 -18.130 -18.808 220 H GLN 35 H GLN 35 6.405 -12.695 -20.423 221 HA GLN 35 HA GLN 35 5.251 -11.618 -22.063 222 HB2 GLN 35 HB2 GLN 35 6.566 -13.620 -23.910 223 HB3 GLN 35 HB3 GLN 35 5.722 -12.167 -24.425 224 HG2 GLN 35 HG2 GLN 35 8.272 -12.339 -22.841 225 HG3 GLN 35 HG3 GLN 35 8.063 -11.742 -24.488 226 HE21 GLN 35 HE21 GLN 35 9.185 -10.406 -22.175 227 HE22 GLN 35 HE22 GLN 35 8.238 -8.980 -21.937 228 H HIS 36 H HIS 36 4.081 -13.847 -20.645 229 HA HIS 36 HA HIS 36 2.232 -15.177 -20.584 230 HB2 HIS 36 HB2 HIS 36 1.218 -13.497 -22.880 231 HB3 HIS 36 HB3 HIS 36 0.258 -14.411 -21.725 232 HD1 HIS 36 HD1 HIS 36 -0.174 -13.324 -19.433 233 HD2 HIS 36 HD2 HIS 36 2.221 -11.070 -21.963 234 HE1 HIS 36 HE1 HIS 36 -0.106 -11.007 -18.430 235 HA PRO 37 HA PRO 37 3.742 -17.542 -24.330 236 HB2 PRO 37 HB2 PRO 37 4.897 -19.572 -23.019 237 HB3 PRO 37 HB3 PRO 37 5.731 -18.024 -23.227 238 HG2 PRO 37 HG2 PRO 37 4.165 -19.018 -20.868 239 HG3 PRO 37 HG3 PRO 37 5.788 -18.307 -20.891 240 HD2 PRO 37 HD2 PRO 37 3.602 -16.843 -20.278 241 HD3 PRO 37 HD3 PRO 37 4.959 -16.139 -21.181 242 H ASN 38 H ASN 38 2.059 -18.433 -21.425 243 HA ASN 38 HA ASN 38 0.932 -20.827 -22.655 244 HB2 ASN 38 HB2 ASN 38 0.586 -19.763 -19.844 245 HB3 ASN 38 HB3 ASN 38 0.100 -21.348 -20.427 246 HD21 ASN 38 HD21 ASN 38 2.467 -21.832 -21.987 247 HD22 ASN 38 HD22 ASN 38 3.757 -22.109 -20.872 248 H GLY 39 H GLY 39 0.270 -17.689 -22.822 249 HA2 GLY 39 HA2 GLY 39 -1.614 -16.640 -23.663 250 HA3 GLY 39 HA3 GLY 39 -2.502 -18.140 -23.455 251 H GLU 40 H GLU 40 -1.100 -17.669 -20.555 252 HA GLU 40 HA GLU 40 -3.552 -16.592 -19.487 253 HB2 GLU 40 HB2 GLU 40 -2.604 -17.203 -17.254 254 HB3 GLU 40 HB3 GLU 40 -2.750 -18.552 -18.361 255 HG2 GLU 40 HG2 GLU 40 -0.313 -18.317 -18.854 256 HG3 GLU 40 HG3 GLU 40 -0.231 -17.100 -17.582 257 HA PRO 41 HA PRO 41 -1.777 -12.484 -19.089 258 HB2 PRO 41 HB2 PRO 41 -4.006 -11.374 -17.968 259 HB3 PRO 41 HB3 PRO 41 -3.832 -11.636 -19.707 260 HG2 PRO 41 HG2 PRO 41 -5.277 -13.292 -17.678 261 HG3 PRO 41 HG3 PRO 41 -5.780 -12.839 -19.316 262 HD2 PRO 41 HD2 PRO 41 -4.768 -15.268 -18.734 263 HD3 PRO 41 HD3 PRO 41 -4.489 -14.480 -20.301 264 H CYS 42 H CYS 42 -1.931 -10.853 -17.077 265 HA CYS 42 HA CYS 42 -0.888 -12.347 -14.859 266 HB2 CYS 42 HB2 CYS 42 -0.252 -10.205 -13.953 267 HB3 CYS 42 HB3 CYS 42 0.055 -10.166 -15.685 268 HA PRO 43 HA PRO 43 -4.518 -12.633 -12.340 269 HB2 PRO 43 HB2 PRO 43 -3.602 -12.074 -9.840 270 HB3 PRO 43 HB3 PRO 43 -3.250 -13.580 -10.694 271 HG2 PRO 43 HG2 PRO 43 -1.564 -11.124 -10.408 272 HG3 PRO 43 HG3 PRO 43 -1.094 -12.826 -10.253 273 HD2 PRO 43 HD2 PRO 43 -0.606 -11.418 -12.486 274 HD3 PRO 43 HD3 PRO 43 -1.011 -13.144 -12.539 275 H ALA 44 H ALA 44 -4.422 -10.090 -13.587 276 HA ALA 44 HA ALA 44 -5.749 -8.420 -11.540 277 HB1 ALA 44 HB1 ALA 44 -3.694 -7.336 -12.206 278 HB2 ALA 44 HB2 ALA 44 -5.053 -6.463 -12.917 279 HB3 ALA 44 HB3 ALA 44 -4.090 -7.559 -13.908 280 HA PRO 45 HA PRO 45 -9.089 -9.730 -14.269 281 HB2 PRO 45 HB2 PRO 45 -10.683 -8.053 -12.419 282 HB3 PRO 45 HB3 PRO 45 -10.909 -9.742 -12.885 283 HG2 PRO 45 HG2 PRO 45 -9.989 -9.124 -10.467 284 HG3 PRO 45 HG3 PRO 45 -9.335 -10.511 -11.356 285 HD2 PRO 45 HD2 PRO 45 -8.167 -7.778 -10.987 286 HD3 PRO 45 HD3 PRO 45 -7.370 -9.366 -10.917 287 H ASP 46 H ASP 46 -8.082 -6.496 -13.597 288 HA ASP 46 HA ASP 46 -9.932 -5.516 -15.683 289 HB2 ASP 46 HB2 ASP 46 -10.254 -4.472 -13.480 290 HB3 ASP 46 HB3 ASP 46 -8.586 -3.917 -13.502 291 H CYS 47 H CYS 47 -6.726 -6.326 -15.305 292 HA CYS 47 HA CYS 47 -5.474 -4.076 -16.505 293 HB2 CYS 47 HB2 CYS 47 -4.482 -6.073 -15.117 294 HB3 CYS 47 HB3 CYS 47 -4.212 -6.756 -16.720 295 H HIS 48 H HIS 48 -4.291 -4.078 -18.596 296 HA HIS 48 HA HIS 48 -5.999 -5.321 -20.658 297 HB2 HIS 48 HB2 HIS 48 -4.777 -2.566 -20.649 298 HB3 HIS 48 HB3 HIS 48 -5.514 -3.297 -22.064 299 HD1 HIS 48 HD1 HIS 48 -7.900 -2.733 -22.388 300 HD2 HIS 48 HD2 HIS 48 -6.749 -2.343 -18.416 301 HE1 HIS 48 HE1 HIS 48 -9.898 -1.776 -21.196 302 HE2 HIS 48 HE2 HIS 48 -9.174 -1.540 -18.793 303 H CYS 49 H CYS 49 -2.985 -5.706 -19.529 304 HA CYS 49 HA CYS 49 -1.531 -5.396 -21.943 305 HB2 CYS 49 HB2 CYS 49 0.308 -6.597 -20.769 306 HB3 CYS 49 HB3 CYS 49 -0.379 -5.262 -19.861 307 H GLU 50 H GLU 50 -0.977 -6.788 -23.527 308 HA GLU 50 HA GLU 50 -1.144 -8.479 -25.013 309 HB2 GLU 50 HB2 GLU 50 -2.044 -10.058 -22.619 310 HB3 GLU 50 HB3 GLU 50 -2.046 -10.751 -24.232 311 HG2 GLU 50 HG2 GLU 50 0.381 -9.575 -22.913 312 HG3 GLU 50 HG3 GLU 50 -0.053 -11.277 -22.838 313 H ARG 51 H ARG 51 -3.833 -7.327 -23.301 314 HA ARG 51 HA ARG 51 -5.843 -8.549 -24.968 315 HB2 ARG 51 HB2 ARG 51 -6.035 -6.108 -23.184 316 HB3 ARG 51 HB3 ARG 51 -7.391 -6.943 -23.922 317 HG2 ARG 51 HG2 ARG 51 -5.516 -8.164 -21.908 318 HG3 ARG 51 HG3 ARG 51 -7.084 -7.456 -21.528 319 HD2 ARG 51 HD2 ARG 51 -8.137 -9.112 -23.064 320 HD3 ARG 51 HD3 ARG 51 -6.551 -9.857 -23.280 321 HE ARG 51 HE ARG 51 -7.404 -9.592 -20.533 322 HH11 ARG 51 HH11 ARG 51 -7.353 -11.685 -23.354 323 HH12 ARG 51 HH12 ARG 51 -7.612 -13.129 -22.430 324 HH21 ARG 51 HH21 ARG 51 -7.754 -11.499 -19.331 325 HH22 ARG 51 HH22 ARG 51 -7.844 -13.023 -20.144 326 H SER 52 H SER 52 -4.035 -5.570 -24.857 327 HA SER 52 HA SER 52 -5.414 -4.343 -27.048 328 HB2 SER 52 HB2 SER 52 -2.745 -3.607 -25.836 329 HB3 SER 52 HB3 SER 52 -3.806 -2.566 -26.786 330 HG SER 52 HG SER 52 -3.979 -2.243 -24.488 Start of MODEL 4 1 HA ASN 1 HA ASN 1 10.250 4.853 -5.101 2 HB2 ASN 1 HB2 ASN 1 11.978 4.162 -7.489 3 HB3 ASN 1 HB3 ASN 1 10.854 5.514 -7.435 4 HD21 ASN 1 HD21 ASN 1 11.331 7.301 -6.143 5 HD22 ASN 1 HD22 ASN 1 12.922 7.575 -5.531 6 H GLU 2 H GLU 2 9.144 5.047 -7.606 7 HA GLU 2 HA GLU 2 7.000 3.222 -7.444 8 HB2 GLU 2 HB2 GLU 2 7.792 5.095 -9.690 9 HB3 GLU 2 HB3 GLU 2 6.245 4.278 -9.559 10 HG2 GLU 2 HG2 GLU 2 5.968 6.555 -8.868 11 HG3 GLU 2 HG3 GLU 2 5.820 5.527 -7.448 12 H LEU 3 H LEU 3 7.433 1.081 -7.794 13 HA LEU 3 HA LEU 3 9.231 0.257 -9.912 14 HB2 LEU 3 HB2 LEU 3 8.876 -0.811 -7.537 15 HB3 LEU 3 HB3 LEU 3 7.553 -1.647 -8.314 16 HG LEU 3 HG LEU 3 10.447 -1.824 -9.191 17 HD11 LEU 3 HD11 LEU 3 10.186 -2.819 -7.011 18 HD12 LEU 3 HD12 LEU 3 10.382 -4.083 -8.224 19 HD13 LEU 3 HD13 LEU 3 8.786 -3.735 -7.562 20 HD21 LEU 3 HD21 LEU 3 8.915 -2.253 -11.022 21 HD22 LEU 3 HD22 LEU 3 8.015 -3.397 -10.029 22 HD23 LEU 3 HD23 LEU 3 9.676 -3.756 -10.501 23 H ARG 4 H ARG 4 8.643 -0.283 -11.893 24 HA ARG 4 HA ARG 4 5.772 -0.584 -12.491 25 HB2 ARG 4 HB2 ARG 4 6.290 0.329 -14.709 26 HB3 ARG 4 HB3 ARG 4 6.792 1.441 -13.442 27 HG2 ARG 4 HG2 ARG 4 9.111 0.489 -13.675 28 HG3 ARG 4 HG3 ARG 4 8.533 -0.359 -15.107 29 HD2 ARG 4 HD2 ARG 4 7.829 1.902 -16.003 30 HD3 ARG 4 HD3 ARG 4 8.731 2.614 -14.663 31 HE ARG 4 HE ARG 4 10.319 0.745 -16.080 32 HH11 ARG 4 HH11 ARG 4 9.102 4.032 -16.267 33 HH12 ARG 4 HH12 ARG 4 10.350 4.563 -17.338 34 HH21 ARG 4 HH21 ARG 4 11.964 1.448 -17.516 35 HH22 ARG 4 HH22 ARG 4 11.975 3.095 -18.055 36 H CYS 5 H CYS 5 5.139 -2.175 -14.036 37 HA CYS 5 HA CYS 5 6.835 -4.507 -14.149 38 HB2 CYS 5 HB2 CYS 5 4.352 -4.681 -13.834 39 HB3 CYS 5 HB3 CYS 5 4.128 -4.037 -15.454 40 H GLY 6 H GLY 6 7.411 -5.567 -16.169 41 HA2 GLY 6 HA2 GLY 6 8.603 -3.744 -17.998 42 HA3 GLY 6 HA3 GLY 6 8.599 -5.493 -18.136 43 H CYS 7 H CYS 7 5.495 -5.231 -17.972 44 HA CYS 7 HA CYS 7 5.103 -5.314 -20.777 45 HB2 CYS 7 HB2 CYS 7 3.557 -5.893 -18.424 46 HB3 CYS 7 HB3 CYS 7 2.587 -4.965 -19.565 47 HA PRO 8 HA PRO 8 4.515 -1.121 -21.854 48 HB2 PRO 8 HB2 PRO 8 2.231 -1.794 -23.587 49 HB3 PRO 8 HB3 PRO 8 3.827 -1.179 -24.026 50 HG2 PRO 8 HG2 PRO 8 3.107 -3.706 -24.568 51 HG3 PRO 8 HG3 PRO 8 4.767 -3.291 -24.105 52 HD2 PRO 8 HD2 PRO 8 2.576 -4.475 -22.439 53 HD3 PRO 8 HD3 PRO 8 4.296 -4.916 -22.521 54 H ASP 9 H ASP 9 1.436 -2.770 -21.237 55 HA ASP 9 HA ASP 9 0.356 -0.205 -20.244 56 HB2 ASP 9 HB2 ASP 9 -1.155 -2.555 -21.409 57 HB3 ASP 9 HB3 ASP 9 -1.880 -1.068 -20.812 58 H CYS 10 H CYS 10 1.890 -2.275 -18.761 59 HA CYS 10 HA CYS 10 -0.223 -3.073 -16.883 60 HB2 CYS 10 HB2 CYS 10 0.820 -4.973 -18.072 61 HB3 CYS 10 HB3 CYS 10 2.372 -4.505 -17.391 62 H HIS 11 H HIS 11 0.198 -2.949 -14.679 63 HA HIS 11 HA HIS 11 2.666 -2.170 -13.585 64 HB2 HIS 11 HB2 HIS 11 1.977 0.114 -12.735 65 HB3 HIS 11 HB3 HIS 11 2.323 0.025 -14.455 66 HD2 HIS 11 HD2 HIS 11 -0.244 -0.298 -15.972 67 HE1 HIS 11 HE1 HIS 11 -2.257 2.157 -13.162 68 HE2 HIS 11 HE2 HIS 11 -2.229 1.313 -15.528 69 H CYS 12 H CYS 12 1.998 -4.032 -12.376 70 HA CYS 12 HA CYS 12 -0.036 -3.486 -10.319 71 HB2 CYS 12 HB2 CYS 12 1.180 -6.113 -11.209 72 HB3 CYS 12 HB3 CYS 12 0.002 -5.942 -9.916 73 H LYS 13 H LYS 13 0.561 -4.800 -8.199 74 HA LYS 13 HA LYS 13 2.831 -3.584 -7.033 75 HB2 LYS 13 HB2 LYS 13 0.833 -5.627 -6.179 76 HB3 LYS 13 HB3 LYS 13 2.312 -5.490 -5.244 77 HG2 LYS 13 HG2 LYS 13 0.563 -3.114 -5.812 78 HG3 LYS 13 HG3 LYS 13 0.282 -4.185 -4.439 79 HD2 LYS 13 HD2 LYS 13 2.626 -3.752 -3.703 80 HD3 LYS 13 HD3 LYS 13 2.774 -2.575 -5.005 81 HE2 LYS 13 HE2 LYS 13 2.268 -1.438 -2.938 82 HE3 LYS 13 HE3 LYS 13 0.893 -1.311 -4.031 83 HZ1 LYS 13 HZ1 LYS 13 0.296 -1.847 -1.705 84 HZ2 LYS 13 HZ2 LYS 13 1.095 -3.330 -1.871 85 HZ3 LYS 13 HZ3 LYS 13 -0.254 -2.984 -2.824 86 H VAL 14 H VAL 14 4.877 -4.107 -7.417 87 HA VAL 14 HA VAL 14 5.549 -6.937 -7.868 88 HB VAL 14 HB VAL 14 7.270 -4.550 -8.564 89 HG11 VAL 14 HG11 VAL 14 7.393 -7.433 -9.438 90 HG12 VAL 14 HG12 VAL 14 8.477 -6.650 -8.287 91 HG13 VAL 14 HG13 VAL 14 8.473 -6.147 -9.978 92 HG21 VAL 14 HG21 VAL 14 5.220 -4.413 -9.872 93 HG22 VAL 14 HG22 VAL 14 5.408 -6.091 -10.376 94 HG23 VAL 14 HG23 VAL 14 6.571 -4.876 -10.906 95 H ASP 15 H ASP 15 6.321 -7.873 -6.098 96 HA ASP 15 HA ASP 15 7.591 -6.235 -4.024 97 HB2 ASP 15 HB2 ASP 15 6.489 -9.048 -3.939 98 HB3 ASP 15 HB3 ASP 15 7.231 -8.224 -2.575 99 HA PRO 16 HA PRO 16 11.689 -7.633 -5.147 100 HB2 PRO 16 HB2 PRO 16 12.119 -7.295 -2.213 101 HB3 PRO 16 HB3 PRO 16 13.071 -6.677 -3.567 102 HG2 PRO 16 HG2 PRO 16 11.470 -5.055 -2.232 103 HG3 PRO 16 HG3 PRO 16 11.577 -4.954 -4.000 104 HD2 PRO 16 HD2 PRO 16 9.436 -6.145 -2.295 105 HD3 PRO 16 HD3 PRO 16 9.300 -5.222 -3.806 106 H GLU 17 H GLU 17 9.990 -9.000 -2.336 107 HA GLU 17 HA GLU 17 11.673 -11.223 -1.928 108 HB2 GLU 17 HB2 GLU 17 8.824 -10.643 -1.221 109 HB3 GLU 17 HB3 GLU 17 9.479 -12.250 -0.957 110 HG2 GLU 17 HG2 GLU 17 10.681 -9.731 0.167 111 HG3 GLU 17 HG3 GLU 17 9.547 -10.767 1.032 112 H ARG 18 H ARG 18 9.398 -10.605 -4.418 113 HA ARG 18 HA ARG 18 9.829 -13.318 -5.450 114 HB2 ARG 18 HB2 ARG 18 7.517 -13.610 -6.005 115 HB3 ARG 18 HB3 ARG 18 7.626 -13.250 -4.287 116 HG2 ARG 18 HG2 ARG 18 6.877 -11.027 -4.618 117 HG3 ARG 18 HG3 ARG 18 7.025 -11.172 -6.370 118 HD2 ARG 18 HD2 ARG 18 4.732 -11.372 -5.851 119 HD3 ARG 18 HD3 ARG 18 5.310 -12.984 -6.260 120 HE ARG 18 HE ARG 18 5.526 -13.173 -3.690 121 HH11 ARG 18 HH11 ARG 18 2.998 -11.448 -5.404 122 HH12 ARG 18 HH12 ARG 18 1.811 -11.723 -4.176 123 HH21 ARG 18 HH21 ARG 18 3.948 -13.539 -2.073 124 HH22 ARG 18 HH22 ARG 18 2.349 -12.907 -2.280 125 H VAL 19 H VAL 19 10.771 -10.531 -6.080 126 HA VAL 19 HA VAL 19 9.458 -9.534 -8.320 127 HB VAL 19 HB VAL 19 11.087 -8.169 -7.124 128 HG11 VAL 19 HG11 VAL 19 12.718 -9.864 -6.529 129 HG12 VAL 19 HG12 VAL 19 13.500 -8.520 -7.365 130 HG13 VAL 19 HG13 VAL 19 13.187 -10.030 -8.222 131 HG21 VAL 19 HG21 VAL 19 10.610 -7.577 -9.430 132 HG22 VAL 19 HG22 VAL 19 11.901 -8.640 -9.989 133 HG23 VAL 19 HG23 VAL 19 12.287 -7.207 -9.035 134 H PHE 20 H PHE 20 9.121 -10.422 -10.183 135 HA PHE 20 HA PHE 20 10.636 -12.703 -11.025 136 HB2 PHE 20 HB2 PHE 20 8.337 -11.216 -12.300 137 HB3 PHE 20 HB3 PHE 20 9.077 -12.657 -12.989 138 HD1 PHE 20 HD1 PHE 20 7.409 -11.426 -9.888 139 HD2 PHE 20 HD2 PHE 20 8.277 -14.751 -12.403 140 HE1 PHE 20 HE1 PHE 20 5.906 -12.832 -8.545 141 HE2 PHE 20 HE2 PHE 20 6.779 -16.162 -11.054 142 HZ PHE 20 HZ PHE 20 5.590 -15.203 -9.126 143 H ASN 21 H ASN 21 12.571 -12.356 -11.789 144 HA ASN 21 HA ASN 21 13.014 -10.079 -13.557 145 HB2 ASN 21 HB2 ASN 21 14.627 -10.309 -11.740 146 HB3 ASN 21 HB3 ASN 21 14.994 -11.957 -12.249 147 HD21 ASN 21 HD21 ASN 21 16.190 -12.285 -14.148 148 HD22 ASN 21 HD22 ASN 21 17.124 -11.019 -14.863 149 H HIS 22 H HIS 22 12.716 -10.447 -15.577 150 HA HIS 22 HA HIS 22 13.903 -12.815 -16.778 151 HB2 HIS 22 HB2 HIS 22 11.367 -13.102 -16.247 152 HB3 HIS 22 HB3 HIS 22 11.126 -11.975 -17.572 153 HD2 HIS 22 HD2 HIS 22 11.493 -13.026 -20.117 154 HE1 HIS 22 HE1 HIS 22 12.295 -16.993 -18.861 155 HE2 HIS 22 HE2 HIS 22 11.624 -15.518 -20.783 156 H ASP 23 H ASP 23 14.815 -12.336 -18.719 157 HA ASP 23 HA ASP 23 15.641 -11.093 -20.436 158 HB2 ASP 23 HB2 ASP 23 13.070 -9.496 -20.168 159 HB3 ASP 23 HB3 ASP 23 14.186 -9.413 -21.526 160 H GLY 24 H GLY 24 16.004 -10.415 -17.574 161 HA2 GLY 24 HA2 GLY 24 17.215 -8.874 -16.375 162 HA3 GLY 24 HA3 GLY 24 17.512 -8.025 -17.885 163 H GLU 25 H GLU 25 14.295 -8.725 -16.742 164 HA GLU 25 HA GLU 25 13.964 -5.933 -15.937 165 HB2 GLU 25 HB2 GLU 25 12.987 -7.087 -18.331 166 HB3 GLU 25 HB3 GLU 25 11.607 -6.806 -17.278 167 HG2 GLU 25 HG2 GLU 25 13.660 -4.756 -18.054 168 HG3 GLU 25 HG3 GLU 25 12.047 -4.921 -18.750 169 H ALA 26 H ALA 26 12.022 -5.533 -14.718 170 HA ALA 26 HA ALA 26 11.345 -7.815 -13.007 171 HB1 ALA 26 HB1 ALA 26 10.898 -4.861 -12.551 172 HB2 ALA 26 HB2 ALA 26 12.238 -5.807 -11.908 173 HB3 ALA 26 HB3 ALA 26 10.589 -6.149 -11.389 174 H TYR 27 H TYR 27 9.339 -8.616 -12.861 175 HA TYR 27 HA TYR 27 7.155 -7.191 -14.226 176 HB2 TYR 27 HB2 TYR 27 7.797 -10.138 -14.442 177 HB3 TYR 27 HB3 TYR 27 6.323 -9.391 -15.047 178 HD1 TYR 27 HD1 TYR 27 9.909 -9.877 -15.611 179 HD2 TYR 27 HD2 TYR 27 6.395 -7.914 -17.001 180 HE1 TYR 27 HE1 TYR 27 11.025 -9.392 -17.744 181 HE2 TYR 27 HE2 TYR 27 7.504 -7.430 -19.139 182 HH TYR 27 HH TYR 27 10.472 -8.887 -20.033 183 H CYS 28 H CYS 28 4.968 -7.917 -13.521 184 HA CYS 28 HA CYS 28 4.928 -8.082 -10.662 185 HB2 CYS 28 HB2 CYS 28 2.510 -7.888 -10.839 186 HB3 CYS 28 HB3 CYS 28 3.287 -6.719 -11.898 187 H SER 29 H SER 29 4.381 -10.328 -13.272 188 HA SER 29 HA SER 29 4.374 -12.501 -11.347 189 HB2 SER 29 HB2 SER 29 1.963 -11.755 -11.854 190 HB3 SER 29 HB3 SER 29 2.230 -12.404 -13.471 191 HG SER 29 HG SER 29 2.081 -13.725 -11.002 192 H GLN 30 H GLN 30 4.329 -14.669 -12.659 193 HA GLN 30 HA GLN 30 6.589 -14.587 -14.363 194 HB2 GLN 30 HB2 GLN 30 6.090 -17.066 -14.714 195 HB3 GLN 30 HB3 GLN 30 6.402 -16.551 -13.068 196 HG2 GLN 30 HG2 GLN 30 3.947 -16.526 -12.670 197 HG3 GLN 30 HG3 GLN 30 3.721 -17.173 -14.293 198 HE21 GLN 30 HE21 GLN 30 3.041 -18.311 -11.680 199 HE22 GLN 30 HE22 GLN 30 3.835 -19.844 -11.601 200 H ALA 31 H ALA 31 3.185 -14.565 -14.973 201 HA ALA 31 HA ALA 31 3.109 -15.382 -17.625 202 HB1 ALA 31 HB1 ALA 31 1.421 -13.282 -16.267 203 HB2 ALA 31 HB2 ALA 31 1.095 -15.017 -16.323 204 HB3 ALA 31 HB3 ALA 31 1.044 -14.064 -17.802 205 H CYS 32 H CYS 32 3.382 -12.021 -16.433 206 HA CYS 32 HA CYS 32 3.722 -10.834 -18.971 207 HB2 CYS 32 HB2 CYS 32 4.509 -9.884 -16.224 208 HB3 CYS 32 HB3 CYS 32 4.725 -8.913 -17.675 209 H ALA 33 H ALA 33 5.998 -12.014 -16.593 210 HA ALA 33 HA ALA 33 8.361 -11.026 -17.606 211 HB1 ALA 33 HB1 ALA 33 8.206 -12.166 -15.468 212 HB2 ALA 33 HB2 ALA 33 9.438 -12.917 -16.486 213 HB3 ALA 33 HB3 ALA 33 7.867 -13.690 -16.289 214 H GLU 34 H GLU 34 6.517 -13.821 -18.568 215 HA GLU 34 HA GLU 34 8.567 -14.520 -20.521 216 HB2 GLU 34 HB2 GLU 34 6.190 -15.983 -19.475 217 HB3 GLU 34 HB3 GLU 34 7.333 -16.626 -20.665 218 HG2 GLU 34 HG2 GLU 34 9.122 -16.244 -18.945 219 HG3 GLU 34 HG3 GLU 34 7.821 -15.926 -17.794 220 H GLN 35 H GLN 35 6.220 -12.432 -20.636 221 HA GLN 35 HA GLN 35 5.012 -11.465 -22.303 222 HB2 GLN 35 HB2 GLN 35 6.237 -13.530 -24.139 223 HB3 GLN 35 HB3 GLN 35 5.430 -12.052 -24.628 224 HG2 GLN 35 HG2 GLN 35 8.107 -12.401 -23.346 225 HG3 GLN 35 HG3 GLN 35 7.693 -11.579 -24.848 226 HE21 GLN 35 HE21 GLN 35 8.005 -11.320 -21.449 227 HE22 GLN 35 HE22 GLN 35 7.646 -9.637 -21.323 228 H HIS 36 H HIS 36 4.060 -13.793 -20.767 229 HA HIS 36 HA HIS 36 2.235 -15.131 -20.568 230 HB2 HIS 36 HB2 HIS 36 1.066 -13.584 -22.892 231 HB3 HIS 36 HB3 HIS 36 0.189 -14.463 -21.647 232 HD1 HIS 36 HD1 HIS 36 -0.147 -13.282 -19.389 233 HD2 HIS 36 HD2 HIS 36 2.059 -11.092 -22.129 234 HE1 HIS 36 HE1 HIS 36 -0.002 -10.945 -18.428 235 HA PRO 37 HA PRO 37 3.579 -17.621 -24.272 236 HB2 PRO 37 HB2 PRO 37 5.068 -19.454 -23.042 237 HB3 PRO 37 HB3 PRO 37 5.714 -17.839 -23.365 238 HG2 PRO 37 HG2 PRO 37 4.565 -18.938 -20.825 239 HG3 PRO 37 HG3 PRO 37 6.044 -17.992 -21.055 240 HD2 PRO 37 HD2 PRO 37 3.669 -16.900 -20.237 241 HD3 PRO 37 HD3 PRO 37 4.896 -15.993 -21.145 242 H ASN 38 H ASN 38 2.208 -18.385 -21.197 243 HA ASN 38 HA ASN 38 1.215 -20.971 -22.105 244 HB2 ASN 38 HB2 ASN 38 0.983 -19.606 -19.417 245 HB3 ASN 38 HB3 ASN 38 0.429 -21.234 -19.777 246 HD21 ASN 38 HD21 ASN 38 2.701 -21.928 -21.426 247 HD22 ASN 38 HD22 ASN 38 4.040 -22.121 -20.353 248 H GLY 39 H GLY 39 0.321 -17.949 -22.614 249 HA2 GLY 39 HA2 GLY 39 -1.649 -17.062 -23.394 250 HA3 GLY 39 HA3 GLY 39 -2.402 -18.629 -23.142 251 H GLU 40 H GLU 40 -0.817 -17.354 -20.408 252 HA GLU 40 HA GLU 40 -3.423 -16.615 -19.317 253 HB2 GLU 40 HB2 GLU 40 -2.442 -17.116 -17.067 254 HB3 GLU 40 HB3 GLU 40 -2.565 -18.503 -18.126 255 HG2 GLU 40 HG2 GLU 40 -0.130 -18.211 -18.648 256 HG3 GLU 40 HG3 GLU 40 -0.076 -16.982 -17.387 257 HA PRO 41 HA PRO 41 -1.762 -12.451 -19.051 258 HB2 PRO 41 HB2 PRO 41 -3.993 -11.347 -17.934 259 HB3 PRO 41 HB3 PRO 41 -3.850 -11.677 -19.664 260 HG2 PRO 41 HG2 PRO 41 -5.216 -13.276 -17.537 261 HG3 PRO 41 HG3 PRO 41 -5.766 -12.901 -19.180 262 HD2 PRO 41 HD2 PRO 41 -4.683 -15.286 -18.519 263 HD3 PRO 41 HD3 PRO 41 -4.470 -14.560 -20.125 264 H CYS 42 H CYS 42 -1.868 -10.770 -17.096 265 HA CYS 42 HA CYS 42 -0.771 -12.183 -14.861 266 HB2 CYS 42 HB2 CYS 42 -0.190 -10.000 -13.994 267 HB3 CYS 42 HB3 CYS 42 0.122 -10.005 -15.724 268 HA PRO 43 HA PRO 43 -4.356 -12.494 -12.308 269 HB2 PRO 43 HB2 PRO 43 -3.413 -12.058 -9.811 270 HB3 PRO 43 HB3 PRO 43 -3.004 -13.504 -10.743 271 HG2 PRO 43 HG2 PRO 43 -1.413 -11.005 -10.331 272 HG3 PRO 43 HG3 PRO 43 -0.876 -12.694 -10.286 273 HD2 PRO 43 HD2 PRO 43 -0.507 -11.093 -12.441 274 HD3 PRO 43 HD3 PRO 43 -0.740 -12.845 -12.576 275 H ALA 44 H ALA 44 -4.479 -10.084 -13.517 276 HA ALA 44 HA ALA 44 -5.665 -8.399 -11.438 277 HB1 ALA 44 HB1 ALA 44 -3.524 -7.375 -12.029 278 HB2 ALA 44 HB2 ALA 44 -4.863 -6.391 -12.620 279 HB3 ALA 44 HB3 ALA 44 -3.964 -7.419 -13.735 280 HA PRO 45 HA PRO 45 -8.866 -9.356 -14.437 281 HB2 PRO 45 HB2 PRO 45 -10.937 -8.463 -12.942 282 HB3 PRO 45 HB3 PRO 45 -10.156 -10.024 -12.668 283 HG2 PRO 45 HG2 PRO 45 -9.745 -7.427 -11.235 284 HG3 PRO 45 HG3 PRO 45 -9.909 -9.061 -10.563 285 HD2 PRO 45 HD2 PRO 45 -7.522 -7.847 -10.868 286 HD3 PRO 45 HD3 PRO 45 -7.725 -9.604 -11.033 287 H ASP 46 H ASP 46 -8.027 -6.291 -13.105 288 HA ASP 46 HA ASP 46 -9.854 -4.891 -14.920 289 HB2 ASP 46 HB2 ASP 46 -9.811 -4.077 -12.627 290 HB3 ASP 46 HB3 ASP 46 -8.072 -3.838 -12.717 291 H CYS 47 H CYS 47 -6.649 -5.950 -14.810 292 HA CYS 47 HA CYS 47 -5.492 -3.774 -16.258 293 HB2 CYS 47 HB2 CYS 47 -4.292 -5.410 -14.701 294 HB3 CYS 47 HB3 CYS 47 -4.320 -6.531 -16.061 295 H HIS 48 H HIS 48 -4.567 -3.955 -18.414 296 HA HIS 48 HA HIS 48 -5.983 -5.843 -20.165 297 HB2 HIS 48 HB2 HIS 48 -5.943 -2.838 -20.455 298 HB3 HIS 48 HB3 HIS 48 -6.371 -3.923 -21.769 299 HD1 HIS 48 HD1 HIS 48 -7.730 -2.282 -18.769 300 HD2 HIS 48 HD2 HIS 48 -8.828 -5.358 -21.334 301 HE1 HIS 48 HE1 HIS 48 -10.171 -2.674 -18.343 302 HE2 HIS 48 HE2 HIS 48 -10.852 -4.370 -20.069 303 H CYS 49 H CYS 49 -3.176 -5.798 -19.338 304 HA CYS 49 HA CYS 49 -1.674 -4.684 -21.508 305 HB2 CYS 49 HB2 CYS 49 0.251 -5.805 -20.484 306 HB3 CYS 49 HB3 CYS 49 -0.695 -4.940 -19.284 307 H GLU 50 H GLU 50 -0.694 -5.741 -23.237 308 HA GLU 50 HA GLU 50 -0.522 -7.170 -24.968 309 HB2 GLU 50 HB2 GLU 50 -0.906 -9.211 -22.769 310 HB3 GLU 50 HB3 GLU 50 -0.519 -9.643 -24.427 311 HG2 GLU 50 HG2 GLU 50 1.224 -7.753 -22.881 312 HG3 GLU 50 HG3 GLU 50 1.388 -9.490 -22.691 313 H ARG 51 H ARG 51 -3.174 -6.119 -24.084 314 HA ARG 51 HA ARG 51 -5.110 -8.072 -24.906 315 HB2 ARG 51 HB2 ARG 51 -5.177 -5.272 -23.974 316 HB3 ARG 51 HB3 ARG 51 -6.444 -5.710 -25.106 317 HG2 ARG 51 HG2 ARG 51 -5.881 -7.303 -22.617 318 HG3 ARG 51 HG3 ARG 51 -6.989 -5.930 -22.643 319 HD2 ARG 51 HD2 ARG 51 -8.337 -7.043 -24.357 320 HD3 ARG 51 HD3 ARG 51 -7.210 -8.394 -24.370 321 HE ARG 51 HE ARG 51 -8.450 -7.775 -21.820 322 HH11 ARG 51 HH11 ARG 51 -8.450 -9.773 -24.710 323 HH12 ARG 51 HH12 ARG 51 -9.428 -11.009 -23.997 324 HH21 ARG 51 HH21 ARG 51 -9.733 -9.416 -20.883 325 HH22 ARG 51 HH22 ARG 51 -10.172 -10.801 -21.821 326 H SER 52 H SER 52 -3.940 -8.545 -26.880 327 HA SER 52 HA SER 52 -4.717 -6.713 -29.055 328 HB2 SER 52 HB2 SER 52 -2.573 -8.850 -29.101 329 HB3 SER 52 HB3 SER 52 -2.923 -7.689 -30.381 330 HG SER 52 HG SER 52 -1.314 -7.400 -28.286 Start of MODEL 5 1 HA ASN 1 HA ASN 1 11.939 4.511 -7.076 2 HB2 ASN 1 HB2 ASN 1 12.888 1.919 -8.328 3 HB3 ASN 1 HB3 ASN 1 12.303 3.325 -9.210 4 HD21 ASN 1 HD21 ASN 1 14.869 1.980 -9.338 5 HD22 ASN 1 HD22 ASN 1 16.057 3.179 -8.960 6 H GLU 2 H GLU 2 10.006 4.351 -8.343 7 HA GLU 2 HA GLU 2 8.040 2.608 -7.183 8 HB2 GLU 2 HB2 GLU 2 7.685 5.015 -8.072 9 HB3 GLU 2 HB3 GLU 2 7.660 4.281 -9.668 10 HG2 GLU 2 HG2 GLU 2 5.412 4.497 -9.052 11 HG3 GLU 2 HG3 GLU 2 5.794 2.796 -8.801 12 H LEU 3 H LEU 3 8.317 0.522 -7.680 13 HA LEU 3 HA LEU 3 9.586 -0.501 -9.935 14 HB2 LEU 3 HB2 LEU 3 8.482 -1.501 -7.567 15 HB3 LEU 3 HB3 LEU 3 7.678 -2.373 -8.858 16 HG LEU 3 HG LEU 3 10.678 -2.162 -8.657 17 HD11 LEU 3 HD11 LEU 3 8.881 -4.349 -7.618 18 HD12 LEU 3 HD12 LEU 3 9.860 -3.253 -6.648 19 HD13 LEU 3 HD13 LEU 3 10.638 -4.419 -7.718 20 HD21 LEU 3 HD21 LEU 3 8.873 -4.050 -10.152 21 HD22 LEU 3 HD22 LEU 3 10.637 -4.063 -10.161 22 HD23 LEU 3 HD23 LEU 3 9.758 -2.700 -10.856 23 H ARG 4 H ARG 4 9.001 -0.926 -11.950 24 HA ARG 4 HA ARG 4 6.145 -0.839 -12.620 25 HB2 ARG 4 HB2 ARG 4 6.746 0.294 -14.750 26 HB3 ARG 4 HB3 ARG 4 7.106 1.261 -13.331 27 HG2 ARG 4 HG2 ARG 4 9.489 0.564 -13.527 28 HG3 ARG 4 HG3 ARG 4 9.081 -0.263 -15.030 29 HD2 ARG 4 HD2 ARG 4 8.831 2.700 -14.469 30 HD3 ARG 4 HD3 ARG 4 10.004 1.928 -15.536 31 HE ARG 4 HE ARG 4 7.895 1.155 -16.788 32 HH11 ARG 4 HH11 ARG 4 8.280 4.261 -15.200 33 HH12 ARG 4 HH12 ARG 4 7.080 5.056 -16.153 34 HH21 ARG 4 HH21 ARG 4 6.318 2.213 -18.094 35 HH22 ARG 4 HH22 ARG 4 5.961 3.882 -17.815 36 H CYS 5 H CYS 5 5.386 -2.381 -13.976 37 HA CYS 5 HA CYS 5 7.008 -4.684 -14.453 38 HB2 CYS 5 HB2 CYS 5 4.545 -4.761 -13.950 39 HB3 CYS 5 HB3 CYS 5 4.237 -4.073 -15.538 40 H GLY 6 H GLY 6 7.780 -5.485 -16.422 41 HA2 GLY 6 HA2 GLY 6 8.656 -3.586 -18.306 42 HA3 GLY 6 HA3 GLY 6 8.790 -5.325 -18.466 43 H CYS 7 H CYS 7 5.637 -5.304 -18.227 44 HA CYS 7 HA CYS 7 5.172 -5.489 -20.992 45 HB2 CYS 7 HB2 CYS 7 3.597 -5.857 -18.585 46 HB3 CYS 7 HB3 CYS 7 2.667 -5.014 -19.805 47 HA PRO 8 HA PRO 8 4.508 -1.420 -22.551 48 HB2 PRO 8 HB2 PRO 8 1.877 -2.366 -23.587 49 HB3 PRO 8 HB3 PRO 8 3.205 -1.577 -24.447 50 HG2 PRO 8 HG2 PRO 8 2.804 -4.176 -24.739 51 HG3 PRO 8 HG3 PRO 8 4.450 -3.535 -24.587 52 HD2 PRO 8 HD2 PRO 8 2.771 -4.940 -22.548 53 HD3 PRO 8 HD3 PRO 8 4.511 -5.085 -22.874 54 H ASP 9 H ASP 9 1.314 -2.684 -21.570 55 HA ASP 9 HA ASP 9 1.020 -0.283 -19.914 56 HB2 ASP 9 HB2 ASP 9 -0.303 -0.012 -21.988 57 HB3 ASP 9 HB3 ASP 9 -1.172 -1.495 -21.614 58 H CYS 10 H CYS 10 1.804 -1.781 -18.308 59 HA CYS 10 HA CYS 10 -0.417 -3.268 -17.110 60 HB2 CYS 10 HB2 CYS 10 1.237 -4.801 -18.193 61 HB3 CYS 10 HB3 CYS 10 2.479 -4.140 -17.138 62 H HIS 11 H HIS 11 -0.701 -2.795 -14.944 63 HA HIS 11 HA HIS 11 1.437 -1.314 -13.576 64 HB2 HIS 11 HB2 HIS 11 -1.436 -0.374 -13.679 65 HB3 HIS 11 HB3 HIS 11 -0.140 0.371 -12.755 66 HD2 HIS 11 HD2 HIS 11 1.982 1.424 -14.548 67 HE1 HIS 11 HE1 HIS 11 -0.824 2.064 -17.658 68 HE2 HIS 11 HE2 HIS 11 1.558 2.354 -16.920 69 H CYS 12 H CYS 12 1.733 -3.216 -12.344 70 HA CYS 12 HA CYS 12 -0.309 -3.544 -10.256 71 HB2 CYS 12 HB2 CYS 12 1.358 -5.741 -11.505 72 HB3 CYS 12 HB3 CYS 12 0.246 -5.946 -10.158 73 H LYS 13 H LYS 13 0.533 -4.227 -8.176 74 HA LYS 13 HA LYS 13 3.015 -2.948 -7.556 75 HB2 LYS 13 HB2 LYS 13 1.047 -4.524 -5.912 76 HB3 LYS 13 HB3 LYS 13 2.606 -4.059 -5.251 77 HG2 LYS 13 HG2 LYS 13 1.184 -2.389 -4.506 78 HG3 LYS 13 HG3 LYS 13 1.943 -1.665 -5.922 79 HD2 LYS 13 HD2 LYS 13 -0.035 -2.305 -7.257 80 HD3 LYS 13 HD3 LYS 13 -0.792 -2.930 -5.791 81 HE2 LYS 13 HE2 LYS 13 -0.622 -0.684 -4.785 82 HE3 LYS 13 HE3 LYS 13 0.057 -0.083 -6.297 83 HZ1 LYS 13 HZ1 LYS 13 -2.279 0.390 -6.184 84 HZ2 LYS 13 HZ2 LYS 13 -2.647 -1.233 -5.921 85 HZ3 LYS 13 HZ3 LYS 13 -2.004 -0.746 -7.406 86 H VAL 14 H VAL 14 4.936 -3.782 -7.833 87 HA VAL 14 HA VAL 14 5.227 -6.682 -8.001 88 HB VAL 14 HB VAL 14 7.282 -4.549 -8.641 89 HG11 VAL 14 HG11 VAL 14 8.349 -6.343 -9.953 90 HG12 VAL 14 HG12 VAL 14 7.141 -7.477 -9.349 91 HG13 VAL 14 HG13 VAL 14 8.275 -6.718 -8.229 92 HG21 VAL 14 HG21 VAL 14 5.344 -4.256 -10.079 93 HG22 VAL 14 HG22 VAL 14 5.390 -5.964 -10.515 94 HG23 VAL 14 HG23 VAL 14 6.705 -4.895 -11.000 95 H ASP 15 H ASP 15 6.251 -7.822 -6.450 96 HA ASP 15 HA ASP 15 7.317 -6.311 -4.157 97 HB2 ASP 15 HB2 ASP 15 6.023 -9.023 -4.285 98 HB3 ASP 15 HB3 ASP 15 6.790 -8.388 -2.842 99 HA PRO 16 HA PRO 16 11.336 -8.034 -5.159 100 HB2 PRO 16 HB2 PRO 16 11.848 -7.452 -2.294 101 HB3 PRO 16 HB3 PRO 16 12.750 -6.940 -3.724 102 HG2 PRO 16 HG2 PRO 16 11.210 -5.215 -2.416 103 HG3 PRO 16 HG3 PRO 16 11.286 -5.201 -4.188 104 HD2 PRO 16 HD2 PRO 16 9.164 -6.298 -2.389 105 HD3 PRO 16 HD3 PRO 16 9.006 -5.401 -3.913 106 H GLU 17 H GLU 17 9.377 -9.072 -2.423 107 HA GLU 17 HA GLU 17 10.972 -11.358 -1.753 108 HB2 GLU 17 HB2 GLU 17 8.117 -10.621 -1.114 109 HB3 GLU 17 HB3 GLU 17 8.889 -12.079 -0.516 110 HG2 GLU 17 HG2 GLU 17 9.882 -9.292 0.011 111 HG3 GLU 17 HG3 GLU 17 8.852 -10.213 1.105 112 H ARG 18 H ARG 18 9.244 -10.724 -4.455 113 HA ARG 18 HA ARG 18 9.049 -13.491 -5.262 114 HB2 ARG 18 HB2 ARG 18 6.606 -13.274 -5.779 115 HB3 ARG 18 HB3 ARG 18 6.976 -13.317 -4.057 116 HG2 ARG 18 HG2 ARG 18 7.075 -10.636 -4.674 117 HG3 ARG 18 HG3 ARG 18 5.718 -11.235 -5.629 118 HD2 ARG 18 HD2 ARG 18 6.078 -11.786 -2.693 119 HD3 ARG 18 HD3 ARG 18 5.128 -10.442 -3.322 120 HE ARG 18 HE ARG 18 4.500 -13.294 -3.605 121 HH11 ARG 18 HH11 ARG 18 3.512 -9.915 -3.929 122 HH12 ARG 18 HH12 ARG 18 1.854 -10.304 -4.214 123 HH21 ARG 18 HH21 ARG 18 2.295 -13.795 -3.995 124 HH22 ARG 18 HH22 ARG 18 1.157 -12.517 -4.260 125 H VAL 19 H VAL 19 10.396 -11.036 -6.088 126 HA VAL 19 HA VAL 19 8.979 -10.062 -8.387 127 HB VAL 19 HB VAL 19 10.302 -8.465 -7.109 128 HG11 VAL 19 HG11 VAL 19 12.744 -8.535 -7.069 129 HG12 VAL 19 HG12 VAL 19 12.711 -10.087 -7.902 130 HG13 VAL 19 HG13 VAL 19 12.044 -9.947 -6.276 131 HG21 VAL 19 HG21 VAL 19 10.010 -8.029 -9.482 132 HG22 VAL 19 HG22 VAL 19 11.468 -8.951 -9.848 133 HG23 VAL 19 HG23 VAL 19 11.584 -7.446 -8.937 134 H PHE 20 H PHE 20 9.054 -10.881 -10.320 135 HA PHE 20 HA PHE 20 11.087 -12.868 -10.935 136 HB2 PHE 20 HB2 PHE 20 8.516 -12.075 -12.304 137 HB3 PHE 20 HB3 PHE 20 9.675 -13.186 -13.025 138 HD1 PHE 20 HD1 PHE 20 7.652 -12.690 -9.930 139 HD2 PHE 20 HD2 PHE 20 9.513 -15.450 -12.585 140 HE1 PHE 20 HE1 PHE 20 6.610 -14.558 -8.716 141 HE2 PHE 20 HE2 PHE 20 8.477 -17.320 -11.371 142 HZ PHE 20 HZ PHE 20 7.023 -16.876 -9.434 143 H ASN 21 H ASN 21 12.900 -12.051 -11.601 144 HA ASN 21 HA ASN 21 12.880 -9.701 -13.321 145 HB2 ASN 21 HB2 ASN 21 14.459 -9.676 -11.443 146 HB3 ASN 21 HB3 ASN 21 15.197 -11.162 -12.033 147 HD21 ASN 21 HD21 ASN 21 16.454 -11.100 -13.931 148 HD22 ASN 21 HD22 ASN 21 17.111 -9.616 -14.525 149 H HIS 22 H HIS 22 12.827 -9.998 -15.382 150 HA HIS 22 HA HIS 22 14.351 -12.220 -16.505 151 HB2 HIS 22 HB2 HIS 22 11.872 -12.771 -16.332 152 HB3 HIS 22 HB3 HIS 22 11.598 -11.485 -17.497 153 HD2 HIS 22 HD2 HIS 22 11.827 -12.245 -20.093 154 HE1 HIS 22 HE1 HIS 22 13.653 -16.011 -19.430 155 HE2 HIS 22 HE2 HIS 22 12.819 -14.380 -21.152 156 H ASP 23 H ASP 23 15.629 -11.591 -18.099 157 HA ASP 23 HA ASP 23 16.605 -10.367 -19.737 158 HB2 ASP 23 HB2 ASP 23 14.224 -10.546 -20.703 159 HB3 ASP 23 HB3 ASP 23 13.992 -8.898 -20.132 160 H GLY 24 H GLY 24 16.274 -9.413 -16.905 161 HA2 GLY 24 HA2 GLY 24 17.389 -7.676 -15.802 162 HA3 GLY 24 HA3 GLY 24 17.458 -6.790 -17.319 163 H GLU 25 H GLU 25 14.368 -7.893 -16.907 164 HA GLU 25 HA GLU 25 13.548 -5.332 -15.725 165 HB2 GLU 25 HB2 GLU 25 12.197 -7.050 -17.785 166 HB3 GLU 25 HB3 GLU 25 11.414 -5.696 -16.987 167 HG2 GLU 25 HG2 GLU 25 13.135 -4.217 -17.841 168 HG3 GLU 25 HG3 GLU 25 13.875 -5.575 -18.696 169 H ALA 26 H ALA 26 11.720 -5.295 -14.428 170 HA ALA 26 HA ALA 26 11.272 -7.808 -12.997 171 HB1 ALA 26 HB1 ALA 26 10.446 -6.409 -11.179 172 HB2 ALA 26 HB2 ALA 26 10.668 -4.971 -12.175 173 HB3 ALA 26 HB3 ALA 26 12.067 -5.915 -11.665 174 H TYR 27 H TYR 27 9.283 -8.692 -12.875 175 HA TYR 27 HA TYR 27 7.083 -7.243 -14.178 176 HB2 TYR 27 HB2 TYR 27 7.743 -10.181 -14.465 177 HB3 TYR 27 HB3 TYR 27 6.306 -9.401 -15.112 178 HD1 TYR 27 HD1 TYR 27 9.913 -9.891 -15.522 179 HD2 TYR 27 HD2 TYR 27 6.475 -7.885 -17.037 180 HE1 TYR 27 HE1 TYR 27 11.136 -9.361 -17.582 181 HE2 TYR 27 HE2 TYR 27 7.686 -7.354 -19.111 182 HH TYR 27 HH TYR 27 10.293 -7.086 -19.717 183 H CYS 28 H CYS 28 4.930 -7.928 -13.484 184 HA CYS 28 HA CYS 28 4.861 -8.223 -10.642 185 HB2 CYS 28 HB2 CYS 28 2.425 -8.063 -10.892 186 HB3 CYS 28 HB3 CYS 28 3.243 -6.807 -11.811 187 H SER 29 H SER 29 4.527 -10.364 -13.336 188 HA SER 29 HA SER 29 4.273 -12.595 -11.499 189 HB2 SER 29 HB2 SER 29 2.452 -13.585 -12.891 190 HB3 SER 29 HB3 SER 29 1.967 -12.120 -12.036 191 HG SER 29 HG SER 29 2.112 -10.968 -13.932 192 H GLN 30 H GLN 30 4.539 -14.693 -12.665 193 HA GLN 30 HA GLN 30 6.816 -14.628 -14.343 194 HB2 GLN 30 HB2 GLN 30 6.403 -17.117 -14.548 195 HB3 GLN 30 HB3 GLN 30 6.560 -16.518 -12.906 196 HG2 GLN 30 HG2 GLN 30 4.056 -16.498 -12.766 197 HG3 GLN 30 HG3 GLN 30 4.028 -17.299 -14.334 198 HE21 GLN 30 HE21 GLN 30 4.837 -17.627 -10.966 199 HE22 GLN 30 HE22 GLN 30 4.958 -19.352 -10.950 200 H ALA 31 H ALA 31 3.480 -14.404 -14.961 201 HA ALA 31 HA ALA 31 3.362 -15.475 -17.566 202 HB1 ALA 31 HB1 ALA 31 1.375 -15.082 -16.185 203 HB2 ALA 31 HB2 ALA 31 1.246 -14.288 -17.755 204 HB3 ALA 31 HB3 ALA 31 1.633 -13.343 -16.317 205 H CYS 32 H CYS 32 3.583 -12.078 -16.479 206 HA CYS 32 HA CYS 32 3.843 -10.971 -19.067 207 HB2 CYS 32 HB2 CYS 32 4.648 -9.871 -16.367 208 HB3 CYS 32 HB3 CYS 32 4.765 -8.949 -17.858 209 H ALA 33 H ALA 33 6.192 -12.111 -16.731 210 HA ALA 33 HA ALA 33 8.524 -11.070 -17.856 211 HB1 ALA 33 HB1 ALA 33 9.701 -12.799 -16.611 212 HB2 ALA 33 HB2 ALA 33 8.184 -13.662 -16.355 213 HB3 ALA 33 HB3 ALA 33 8.428 -12.074 -15.629 214 H GLU 34 H GLU 34 6.640 -13.861 -18.705 215 HA GLU 34 HA GLU 34 8.687 -14.681 -20.631 216 HB2 GLU 34 HB2 GLU 34 6.347 -16.112 -19.454 217 HB3 GLU 34 HB3 GLU 34 7.420 -16.798 -20.682 218 HG2 GLU 34 HG2 GLU 34 9.298 -16.494 -19.107 219 HG3 GLU 34 HG3 GLU 34 8.137 -15.960 -17.892 220 H GLN 35 H GLN 35 6.378 -12.602 -20.769 221 HA GLN 35 HA GLN 35 5.043 -11.720 -22.379 222 HB2 GLN 35 HB2 GLN 35 6.308 -13.709 -24.269 223 HB3 GLN 35 HB3 GLN 35 5.528 -12.191 -24.693 224 HG2 GLN 35 HG2 GLN 35 8.127 -12.580 -23.242 225 HG3 GLN 35 HG3 GLN 35 7.867 -11.855 -24.829 226 HE21 GLN 35 HE21 GLN 35 9.127 -10.797 -22.398 227 HE22 GLN 35 HE22 GLN 35 8.283 -9.331 -22.042 228 H HIS 36 H HIS 36 4.069 -13.864 -20.791 229 HA HIS 36 HA HIS 36 2.286 -15.258 -20.558 230 HB2 HIS 36 HB2 HIS 36 1.148 -13.761 -22.933 231 HB3 HIS 36 HB3 HIS 36 0.243 -14.618 -21.691 232 HD1 HIS 36 HD1 HIS 36 0.133 -13.479 -19.327 233 HD2 HIS 36 HD2 HIS 36 1.899 -11.187 -22.297 234 HE1 HIS 36 HE1 HIS 36 0.283 -11.148 -18.381 235 HA PRO 37 HA PRO 37 3.653 -17.851 -24.197 236 HB2 PRO 37 HB2 PRO 37 5.069 -19.708 -22.893 237 HB3 PRO 37 HB3 PRO 37 5.764 -18.126 -23.261 238 HG2 PRO 37 HG2 PRO 37 4.562 -19.105 -20.702 239 HG3 PRO 37 HG3 PRO 37 6.072 -18.211 -20.951 240 HD2 PRO 37 HD2 PRO 37 3.736 -17.022 -20.184 241 HD3 PRO 37 HD3 PRO 37 4.984 -16.187 -21.131 242 H ASN 38 H ASN 38 2.383 -18.664 -21.056 243 HA ASN 38 HA ASN 38 1.171 -21.139 -21.925 244 HB2 ASN 38 HB2 ASN 38 1.160 -19.570 -19.356 245 HB3 ASN 38 HB3 ASN 38 0.074 -20.932 -19.589 246 HD21 ASN 38 HD21 ASN 38 3.222 -21.001 -21.054 247 HD22 ASN 38 HD22 ASN 38 3.917 -22.147 -19.967 248 H GLY 39 H GLY 39 0.522 -17.977 -22.434 249 HA2 GLY 39 HA2 GLY 39 -1.319 -17.043 -23.488 250 HA3 GLY 39 HA3 GLY 39 -2.234 -18.500 -23.126 251 H GLU 40 H GLU 40 -0.901 -17.825 -20.297 252 HA GLU 40 HA GLU 40 -3.341 -16.723 -19.285 253 HB2 GLU 40 HB2 GLU 40 -2.379 -17.070 -17.081 254 HB3 GLU 40 HB3 GLU 40 -2.207 -18.512 -18.072 255 HG2 GLU 40 HG2 GLU 40 0.094 -18.186 -18.344 256 HG3 GLU 40 HG3 GLU 40 0.006 -16.510 -17.806 257 HA PRO 41 HA PRO 41 -1.809 -12.482 -19.139 258 HB2 PRO 41 HB2 PRO 41 -4.329 -12.015 -17.696 259 HB3 PRO 41 HB3 PRO 41 -3.792 -11.336 -19.235 260 HG2 PRO 41 HG2 PRO 41 -5.791 -13.147 -19.078 261 HG3 PRO 41 HG3 PRO 41 -4.688 -13.064 -20.463 262 HD2 PRO 41 HD2 PRO 41 -4.691 -14.968 -18.153 263 HD3 PRO 41 HD3 PRO 41 -4.380 -15.271 -19.877 264 H CYS 42 H CYS 42 -1.967 -10.822 -17.102 265 HA CYS 42 HA CYS 42 -0.776 -12.282 -14.932 266 HB2 CYS 42 HB2 CYS 42 -0.229 -10.098 -13.991 267 HB3 CYS 42 HB3 CYS 42 0.170 -10.129 -15.704 268 HA PRO 43 HA PRO 43 -4.138 -12.810 -12.155 269 HB2 PRO 43 HB2 PRO 43 -2.729 -11.342 -10.004 270 HB3 PRO 43 HB3 PRO 43 -3.296 -13.015 -10.048 271 HG2 PRO 43 HG2 PRO 43 -0.703 -12.447 -10.254 272 HG3 PRO 43 HG3 PRO 43 -1.428 -13.758 -11.206 273 HD2 PRO 43 HD2 PRO 43 -0.664 -10.989 -12.051 274 HD3 PRO 43 HD3 PRO 43 -0.455 -12.529 -12.913 275 H ALA 44 H ALA 44 -3.540 -9.706 -13.151 276 HA ALA 44 HA ALA 44 -5.501 -8.424 -11.386 277 HB1 ALA 44 HB1 ALA 44 -3.814 -7.292 -13.619 278 HB2 ALA 44 HB2 ALA 44 -3.464 -7.183 -11.893 279 HB3 ALA 44 HB3 ALA 44 -4.871 -6.357 -12.564 280 HA PRO 45 HA PRO 45 -8.541 -9.499 -14.558 281 HB2 PRO 45 HB2 PRO 45 -10.528 -8.305 -12.779 282 HB3 PRO 45 HB3 PRO 45 -10.362 -9.989 -13.282 283 HG2 PRO 45 HG2 PRO 45 -9.870 -9.175 -10.752 284 HG3 PRO 45 HG3 PRO 45 -8.995 -10.519 -11.510 285 HD2 PRO 45 HD2 PRO 45 -8.143 -7.678 -11.128 286 HD3 PRO 45 HD3 PRO 45 -7.217 -9.178 -10.892 287 H ASP 46 H ASP 46 -7.933 -6.443 -13.092 288 HA ASP 46 HA ASP 46 -9.709 -5.008 -14.901 289 HB2 ASP 46 HB2 ASP 46 -9.551 -4.351 -12.514 290 HB3 ASP 46 HB3 ASP 46 -7.861 -3.943 -12.764 291 H CYS 47 H CYS 47 -6.628 -6.225 -15.079 292 HA CYS 47 HA CYS 47 -5.453 -3.942 -16.390 293 HB2 CYS 47 HB2 CYS 47 -4.222 -5.681 -14.943 294 HB3 CYS 47 HB3 CYS 47 -4.258 -6.688 -16.390 295 H HIS 48 H HIS 48 -4.558 -4.063 -18.569 296 HA HIS 48 HA HIS 48 -6.193 -5.754 -20.351 297 HB2 HIS 48 HB2 HIS 48 -5.602 -2.804 -20.647 298 HB3 HIS 48 HB3 HIS 48 -6.260 -3.797 -21.937 299 HD1 HIS 48 HD1 HIS 48 -8.706 -3.635 -22.128 300 HD2 HIS 48 HD2 HIS 48 -7.436 -2.927 -18.242 301 HE1 HIS 48 HE1 HIS 48 -10.778 -3.041 -20.839 302 HE2 HIS 48 HE2 HIS 48 -9.926 -2.361 -18.576 303 H CYS 49 H CYS 49 -3.228 -5.742 -19.403 304 HA CYS 49 HA CYS 49 -1.748 -4.960 -21.684 305 HB2 CYS 49 HB2 CYS 49 0.179 -5.989 -20.643 306 HB3 CYS 49 HB3 CYS 49 -0.756 -5.125 -19.432 307 H GLU 50 H GLU 50 -1.322 -5.900 -23.496 308 HA GLU 50 HA GLU 50 -1.257 -7.327 -25.226 309 HB2 GLU 50 HB2 GLU 50 0.121 -8.661 -23.538 310 HB3 GLU 50 HB3 GLU 50 -1.316 -9.646 -23.309 311 HG2 GLU 50 HG2 GLU 50 -1.304 -10.247 -25.666 312 HG3 GLU 50 HG3 GLU 50 0.102 -9.221 -25.935 313 H ARG 51 H ARG 51 -3.887 -6.879 -23.483 314 HA ARG 51 HA ARG 51 -5.510 -8.939 -24.761 315 HB2 ARG 51 HB2 ARG 51 -6.245 -6.748 -22.810 316 HB3 ARG 51 HB3 ARG 51 -7.408 -7.860 -23.514 317 HG2 ARG 51 HG2 ARG 51 -5.120 -8.545 -21.677 318 HG3 ARG 51 HG3 ARG 51 -6.845 -8.615 -21.311 319 HD2 ARG 51 HD2 ARG 51 -5.324 -10.341 -23.266 320 HD3 ARG 51 HD3 ARG 51 -6.037 -10.847 -21.740 321 HE ARG 51 HE ARG 51 -8.227 -10.110 -22.902 322 HH11 ARG 51 HH11 ARG 51 -5.492 -11.622 -24.517 323 HH12 ARG 51 HH12 ARG 51 -6.466 -12.397 -25.713 324 HH21 ARG 51 HH21 ARG 51 -9.512 -11.153 -24.504 325 HH22 ARG 51 HH22 ARG 51 -8.745 -12.127 -25.712 326 H SER 52 H SER 52 -4.119 -6.394 -25.883 327 HA SER 52 HA SER 52 -6.231 -5.830 -27.797 328 HB2 SER 52 HB2 SER 52 -6.371 -4.063 -26.026 329 HB3 SER 52 HB3 SER 52 -4.706 -3.620 -26.394 330 HG SER 52 HG SER 52 -6.342 -2.346 -27.471 Start of MODEL 6 1 HA ASN 1 HA ASN 1 8.684 5.815 -7.036 2 HB2 ASN 1 HB2 ASN 1 11.602 5.225 -6.500 3 HB3 ASN 1 HB3 ASN 1 10.872 5.074 -8.092 4 HD21 ASN 1 HD21 ASN 1 9.947 7.578 -5.821 5 HD22 ASN 1 HD22 ASN 1 10.631 8.893 -6.711 6 H GLU 2 H GLU 2 7.432 4.178 -7.461 7 HA GLU 2 HA GLU 2 7.911 1.574 -6.337 8 HB2 GLU 2 HB2 GLU 2 5.700 2.832 -7.912 9 HB3 GLU 2 HB3 GLU 2 5.771 1.086 -7.747 10 HG2 GLU 2 HG2 GLU 2 4.295 2.208 -6.097 11 HG3 GLU 2 HG3 GLU 2 5.562 1.222 -5.378 12 H LEU 3 H LEU 3 8.074 -0.353 -7.514 13 HA LEU 3 HA LEU 3 9.778 -0.149 -9.812 14 HB2 LEU 3 HB2 LEU 3 10.034 -1.844 -7.968 15 HB3 LEU 3 HB3 LEU 3 8.568 -2.612 -8.533 16 HG LEU 3 HG LEU 3 10.923 -2.307 -10.380 17 HD11 LEU 3 HD11 LEU 3 11.695 -4.518 -9.662 18 HD12 LEU 3 HD12 LEU 3 10.489 -4.517 -8.374 19 HD13 LEU 3 HD13 LEU 3 11.799 -3.337 -8.358 20 HD21 LEU 3 HD21 LEU 3 9.972 -4.318 -11.392 21 HD22 LEU 3 HD22 LEU 3 8.777 -3.025 -11.322 22 HD23 LEU 3 HD23 LEU 3 8.712 -4.350 -10.160 23 H ARG 4 H ARG 4 9.281 -0.423 -11.864 24 HA ARG 4 HA ARG 4 6.447 -0.713 -12.513 25 HB2 ARG 4 HB2 ARG 4 7.108 0.267 -14.707 26 HB3 ARG 4 HB3 ARG 4 7.385 1.315 -13.324 27 HG2 ARG 4 HG2 ARG 4 9.771 0.539 -13.348 28 HG3 ARG 4 HG3 ARG 4 9.418 -0.231 -14.896 29 HD2 ARG 4 HD2 ARG 4 10.425 1.973 -15.171 30 HD3 ARG 4 HD3 ARG 4 8.793 1.912 -15.840 31 HE ARG 4 HE ARG 4 8.093 3.018 -13.705 32 HH11 ARG 4 HH11 ARG 4 11.367 3.419 -14.932 33 HH12 ARG 4 HH12 ARG 4 11.601 4.945 -14.156 34 HH21 ARG 4 HH21 ARG 4 8.426 5.041 -12.673 35 HH22 ARG 4 HH22 ARG 4 9.928 5.871 -12.874 36 H CYS 5 H CYS 5 5.690 -2.234 -13.852 37 HA CYS 5 HA CYS 5 7.263 -4.584 -14.240 38 HB2 CYS 5 HB2 CYS 5 4.793 -4.526 -13.695 39 HB3 CYS 5 HB3 CYS 5 4.509 -3.959 -15.335 40 H GLY 6 H GLY 6 8.144 -5.351 -16.141 41 HA2 GLY 6 HA2 GLY 6 8.964 -3.584 -18.115 42 HA3 GLY 6 HA3 GLY 6 8.991 -5.329 -18.261 43 H CYS 7 H CYS 7 5.959 -5.392 -17.990 44 HA CYS 7 HA CYS 7 5.335 -5.358 -20.734 45 HB2 CYS 7 HB2 CYS 7 4.058 -6.160 -18.345 46 HB3 CYS 7 HB3 CYS 7 2.971 -5.015 -19.123 47 HA PRO 8 HA PRO 8 4.839 -1.109 -21.695 48 HB2 PRO 8 HB2 PRO 8 2.432 -1.849 -23.257 49 HB3 PRO 8 HB3 PRO 8 3.893 -1.003 -23.777 50 HG2 PRO 8 HG2 PRO 8 3.490 -3.526 -24.481 51 HG3 PRO 8 HG3 PRO 8 5.106 -2.976 -23.995 52 HD2 PRO 8 HD2 PRO 8 3.086 -4.534 -22.435 53 HD3 PRO 8 HD3 PRO 8 4.848 -4.751 -22.539 54 H ASP 9 H ASP 9 1.547 -2.496 -21.374 55 HA ASP 9 HA ASP 9 0.737 0.028 -20.145 56 HB2 ASP 9 HB2 ASP 9 -0.562 -0.902 -22.073 57 HB3 ASP 9 HB3 ASP 9 -1.050 -2.237 -21.036 58 H CYS 10 H CYS 10 1.627 -3.071 -19.151 59 HA CYS 10 HA CYS 10 -0.159 -3.397 -16.978 60 HB2 CYS 10 HB2 CYS 10 1.185 -5.262 -17.896 61 HB3 CYS 10 HB3 CYS 10 2.640 -4.495 -17.267 62 H HIS 11 H HIS 11 -0.224 -2.371 -15.115 63 HA HIS 11 HA HIS 11 2.148 -1.311 -13.863 64 HB2 HIS 11 HB2 HIS 11 1.508 0.516 -15.421 65 HB3 HIS 11 HB3 HIS 11 -0.084 0.570 -14.678 66 HD2 HIS 11 HD2 HIS 11 -0.065 1.586 -11.971 67 HE1 HIS 11 HE1 HIS 11 3.733 3.413 -12.392 68 HE2 HIS 11 HE2 HIS 11 1.685 3.196 -10.955 69 H CYS 12 H CYS 12 1.667 -2.670 -12.176 70 HA CYS 12 HA CYS 12 -0.353 -1.675 -10.390 71 HB2 CYS 12 HB2 CYS 12 -1.241 -3.982 -10.008 72 HB3 CYS 12 HB3 CYS 12 -1.626 -3.293 -11.577 73 H LYS 13 H LYS 13 -0.222 -3.674 -8.484 74 HA LYS 13 HA LYS 13 2.291 -3.053 -7.302 75 HB2 LYS 13 HB2 LYS 13 -0.035 -4.752 -6.435 76 HB3 LYS 13 HB3 LYS 13 1.449 -4.704 -5.508 77 HG2 LYS 13 HG2 LYS 13 -0.041 -3.176 -4.487 78 HG3 LYS 13 HG3 LYS 13 1.153 -2.206 -5.346 79 HD2 LYS 13 HD2 LYS 13 -0.420 -1.804 -7.147 80 HD3 LYS 13 HD3 LYS 13 -1.597 -2.889 -6.406 81 HE2 LYS 13 HE2 LYS 13 -1.636 -1.382 -4.422 82 HE3 LYS 13 HE3 LYS 13 -0.593 -0.267 -5.304 83 HZ1 LYS 13 HZ1 LYS 13 -2.314 -0.062 -6.992 84 HZ2 LYS 13 HZ2 LYS 13 -2.908 0.376 -5.476 85 HZ3 LYS 13 HZ3 LYS 13 -3.312 -1.122 -6.138 86 H VAL 14 H VAL 14 4.117 -4.090 -7.434 87 HA VAL 14 HA VAL 14 4.265 -6.687 -8.770 88 HB VAL 14 HB VAL 14 6.426 -4.697 -7.993 89 HG11 VAL 14 HG11 VAL 14 7.243 -7.041 -8.061 90 HG12 VAL 14 HG12 VAL 14 7.984 -5.999 -9.271 91 HG13 VAL 14 HG13 VAL 14 6.729 -7.133 -9.746 92 HG21 VAL 14 HG21 VAL 14 6.569 -4.229 -10.394 93 HG22 VAL 14 HG22 VAL 14 4.966 -3.868 -9.755 94 HG23 VAL 14 HG23 VAL 14 5.233 -5.340 -10.687 95 H ASP 15 H ASP 15 5.203 -8.518 -7.772 96 HA ASP 15 HA ASP 15 5.470 -8.325 -4.859 97 HB2 ASP 15 HB2 ASP 15 5.064 -10.717 -6.656 98 HB3 ASP 15 HB3 ASP 15 5.476 -10.855 -4.960 99 HA PRO 16 HA PRO 16 9.903 -8.274 -5.887 100 HB2 PRO 16 HB2 PRO 16 10.056 -7.487 -3.048 101 HB3 PRO 16 HB3 PRO 16 10.678 -6.658 -4.479 102 HG2 PRO 16 HG2 PRO 16 8.556 -5.721 -3.151 103 HG3 PRO 16 HG3 PRO 16 8.662 -5.618 -4.919 104 HD2 PRO 16 HD2 PRO 16 7.139 -7.562 -3.224 105 HD3 PRO 16 HD3 PRO 16 6.633 -6.714 -4.700 106 H GLU 17 H GLU 17 8.253 -9.808 -3.182 107 HA GLU 17 HA GLU 17 10.394 -11.315 -2.143 108 HB2 GLU 17 HB2 GLU 17 8.225 -11.043 -0.981 109 HB3 GLU 17 HB3 GLU 17 7.447 -12.035 -2.205 110 HG2 GLU 17 HG2 GLU 17 8.990 -13.908 -1.503 111 HG3 GLU 17 HG3 GLU 17 9.475 -12.892 -0.149 112 H ARG 18 H ARG 18 8.704 -11.591 -5.092 113 HA ARG 18 HA ARG 18 10.078 -14.082 -5.736 114 HB2 ARG 18 HB2 ARG 18 7.985 -15.106 -6.509 115 HB3 ARG 18 HB3 ARG 18 7.961 -14.789 -4.776 116 HG2 ARG 18 HG2 ARG 18 6.901 -12.505 -5.679 117 HG3 ARG 18 HG3 ARG 18 6.363 -13.616 -6.937 118 HD2 ARG 18 HD2 ARG 18 5.492 -15.095 -5.135 119 HD3 ARG 18 HD3 ARG 18 5.878 -13.818 -3.981 120 HE ARG 18 HE ARG 18 4.293 -12.405 -5.107 121 HH11 ARG 18 HH11 ARG 18 4.095 -15.826 -5.844 122 HH12 ARG 18 HH12 ARG 18 2.520 -15.708 -6.545 123 HH21 ARG 18 HH21 ARG 18 2.241 -12.230 -6.076 124 HH22 ARG 18 HH22 ARG 18 1.455 -13.657 -6.685 125 H VAL 19 H VAL 19 10.314 -11.330 -6.594 126 HA VAL 19 HA VAL 19 8.940 -10.854 -9.000 127 HB VAL 19 HB VAL 19 9.948 -9.043 -7.700 128 HG11 VAL 19 HG11 VAL 19 11.964 -10.140 -6.928 129 HG12 VAL 19 HG12 VAL 19 12.364 -8.631 -7.750 130 HG13 VAL 19 HG13 VAL 19 12.600 -10.174 -8.572 131 HG21 VAL 19 HG21 VAL 19 9.496 -8.645 -10.049 132 HG22 VAL 19 HG22 VAL 19 11.090 -9.263 -10.480 133 HG23 VAL 19 HG23 VAL 19 10.944 -7.774 -9.546 134 H PHE 20 H PHE 20 9.436 -11.234 -11.085 135 HA PHE 20 HA PHE 20 11.637 -13.099 -11.589 136 HB2 PHE 20 HB2 PHE 20 9.029 -12.605 -12.997 137 HB3 PHE 20 HB3 PHE 20 10.349 -13.461 -13.783 138 HD1 PHE 20 HD1 PHE 20 8.301 -13.518 -10.672 139 HD2 PHE 20 HD2 PHE 20 10.528 -15.745 -13.536 140 HE1 PHE 20 HE1 PHE 20 7.568 -15.609 -9.615 141 HE2 PHE 20 HE2 PHE 20 9.804 -17.843 -12.476 142 HZ PHE 20 HZ PHE 20 8.320 -17.777 -10.512 143 H ASN 21 H ASN 21 13.372 -12.325 -12.394 144 HA ASN 21 HA ASN 21 13.307 -9.854 -13.926 145 HB2 ASN 21 HB2 ASN 21 15.032 -10.023 -12.209 146 HB3 ASN 21 HB3 ASN 21 15.622 -11.524 -12.915 147 HD21 ASN 21 HD21 ASN 21 16.758 -11.453 -14.876 148 HD22 ASN 21 HD22 ASN 21 17.485 -9.993 -15.446 149 H HIS 22 H HIS 22 13.149 -9.938 -16.013 150 HA HIS 22 HA HIS 22 14.434 -12.144 -17.450 151 HB2 HIS 22 HB2 HIS 22 11.870 -12.403 -17.116 152 HB3 HIS 22 HB3 HIS 22 11.730 -11.100 -18.286 153 HD2 HIS 22 HD2 HIS 22 11.520 -12.017 -20.805 154 HE1 HIS 22 HE1 HIS 22 13.293 -15.820 -20.244 155 HE2 HIS 22 HE2 HIS 22 12.028 -14.337 -21.826 156 H ASP 23 H ASP 23 15.716 -11.397 -19.027 157 HA ASP 23 HA ASP 23 16.765 -10.010 -20.493 158 HB2 ASP 23 HB2 ASP 23 14.005 -8.789 -20.630 159 HB3 ASP 23 HB3 ASP 23 15.353 -8.129 -21.547 160 H GLY 24 H GLY 24 16.516 -9.433 -17.559 161 HA2 GLY 24 HA2 GLY 24 17.712 -7.927 -16.240 162 HA3 GLY 24 HA3 GLY 24 17.871 -6.869 -17.634 163 H GLU 25 H GLU 25 14.708 -7.812 -17.351 164 HA GLU 25 HA GLU 25 14.035 -5.367 -15.872 165 HB2 GLU 25 HB2 GLU 25 12.811 -6.625 -18.298 166 HB3 GLU 25 HB3 GLU 25 11.882 -5.527 -17.286 167 HG2 GLU 25 HG2 GLU 25 13.276 -3.732 -17.747 168 HG3 GLU 25 HG3 GLU 25 14.564 -4.762 -18.381 169 H ALA 26 H ALA 26 12.220 -5.411 -14.530 170 HA ALA 26 HA ALA 26 11.652 -8.091 -13.514 171 HB1 ALA 26 HB1 ALA 26 10.915 -6.916 -11.471 172 HB2 ALA 26 HB2 ALA 26 11.361 -5.385 -12.229 173 HB3 ALA 26 HB3 ALA 26 12.597 -6.593 -11.888 174 H TYR 27 H TYR 27 9.572 -8.747 -13.075 175 HA TYR 27 HA TYR 27 7.403 -7.133 -14.209 176 HB2 TYR 27 HB2 TYR 27 7.867 -10.094 -14.666 177 HB3 TYR 27 HB3 TYR 27 6.442 -9.202 -15.188 178 HD1 TYR 27 HD1 TYR 27 10.065 -9.682 -15.761 179 HD2 TYR 27 HD2 TYR 27 6.508 -7.799 -17.143 180 HE1 TYR 27 HE1 TYR 27 11.193 -9.102 -17.868 181 HE2 TYR 27 HE2 TYR 27 7.625 -7.229 -19.251 182 HH TYR 27 HH TYR 27 10.602 -8.567 -20.189 183 H CYS 28 H CYS 28 5.252 -7.741 -13.358 184 HA CYS 28 HA CYS 28 5.384 -8.079 -10.535 185 HB2 CYS 28 HB2 CYS 28 2.959 -7.869 -10.563 186 HB3 CYS 28 HB3 CYS 28 3.688 -6.658 -11.609 187 H SER 29 H SER 29 4.708 -10.238 -13.166 188 HA SER 29 HA SER 29 4.597 -12.439 -11.262 189 HB2 SER 29 HB2 SER 29 2.256 -11.894 -11.676 190 HB3 SER 29 HB3 SER 29 2.526 -11.937 -13.417 191 HG SER 29 HG SER 29 2.571 -14.084 -11.568 192 H GLN 30 H GLN 30 4.859 -14.549 -12.332 193 HA GLN 30 HA GLN 30 7.032 -14.573 -14.124 194 HB2 GLN 30 HB2 GLN 30 6.648 -17.021 -14.224 195 HB3 GLN 30 HB3 GLN 30 6.678 -16.407 -12.578 196 HG2 GLN 30 HG2 GLN 30 4.206 -16.445 -12.557 197 HG3 GLN 30 HG3 GLN 30 4.229 -17.138 -14.173 198 HE21 GLN 30 HE21 GLN 30 6.600 -18.772 -13.567 199 HE22 GLN 30 HE22 GLN 30 6.030 -20.075 -12.588 200 H ALA 31 H ALA 31 3.661 -14.360 -14.622 201 HA ALA 31 HA ALA 31 3.527 -15.466 -17.233 202 HB1 ALA 31 HB1 ALA 31 1.558 -15.242 -15.790 203 HB2 ALA 31 HB2 ALA 31 1.321 -14.445 -17.344 204 HB3 ALA 31 HB3 ALA 31 1.677 -13.486 -15.908 205 H CYS 32 H CYS 32 3.939 -12.169 -16.024 206 HA CYS 32 HA CYS 32 3.784 -10.925 -18.590 207 HB2 CYS 32 HB2 CYS 32 4.584 -9.980 -15.859 208 HB3 CYS 32 HB3 CYS 32 5.036 -9.009 -17.249 209 H ALA 33 H ALA 33 6.384 -12.197 -16.630 210 HA ALA 33 HA ALA 33 8.577 -11.035 -17.892 211 HB1 ALA 33 HB1 ALA 33 9.882 -12.890 -17.009 212 HB2 ALA 33 HB2 ALA 33 8.398 -13.778 -16.655 213 HB3 ALA 33 HB3 ALA 33 8.752 -12.274 -15.801 214 H GLU 34 H GLU 34 6.797 -13.965 -18.708 215 HA GLU 34 HA GLU 34 8.476 -14.321 -21.075 216 HB2 GLU 34 HB2 GLU 34 6.644 -16.050 -19.511 217 HB3 GLU 34 HB3 GLU 34 6.970 -16.471 -21.199 218 HG2 GLU 34 HG2 GLU 34 9.451 -16.339 -20.561 219 HG3 GLU 34 HG3 GLU 34 8.894 -16.347 -18.890 220 H GLN 35 H GLN 35 6.271 -12.282 -20.667 221 HA GLN 35 HA GLN 35 4.589 -11.313 -21.825 222 HB2 GLN 35 HB2 GLN 35 5.956 -12.783 -24.078 223 HB3 GLN 35 HB3 GLN 35 4.663 -11.620 -24.334 224 HG2 GLN 35 HG2 GLN 35 6.631 -10.410 -24.676 225 HG3 GLN 35 HG3 GLN 35 6.109 -9.965 -23.054 226 HE21 GLN 35 HE21 GLN 35 8.105 -9.387 -22.331 227 HE22 GLN 35 HE22 GLN 35 9.392 -10.511 -22.066 228 H HIS 36 H HIS 36 3.891 -13.615 -20.485 229 HA HIS 36 HA HIS 36 2.144 -15.010 -20.147 230 HB2 HIS 36 HB2 HIS 36 0.723 -13.558 -22.385 231 HB3 HIS 36 HB3 HIS 36 0.005 -14.374 -21.002 232 HD1 HIS 36 HD1 HIS 36 -0.215 -13.036 -18.844 233 HD2 HIS 36 HD2 HIS 36 1.892 -11.036 -21.806 234 HE1 HIS 36 HE1 HIS 36 0.057 -10.668 -18.013 235 HA PRO 37 HA PRO 37 3.330 -17.553 -23.866 236 HB2 PRO 37 HB2 PRO 37 4.529 -19.570 -22.540 237 HB3 PRO 37 HB3 PRO 37 5.384 -18.074 -22.942 238 HG2 PRO 37 HG2 PRO 37 4.120 -18.893 -20.355 239 HG3 PRO 37 HG3 PRO 37 5.695 -18.128 -20.636 240 HD2 PRO 37 HD2 PRO 37 3.496 -16.736 -19.847 241 HD3 PRO 37 HD3 PRO 37 4.772 -16.026 -20.857 242 H ASN 38 H ASN 38 1.871 -18.373 -20.796 243 HA ASN 38 HA ASN 38 0.527 -20.685 -21.957 244 HB2 ASN 38 HB2 ASN 38 0.511 -19.614 -19.128 245 HB3 ASN 38 HB3 ASN 38 -0.300 -21.083 -19.652 246 HD21 ASN 38 HD21 ASN 38 1.898 -21.792 -21.487 247 HD22 ASN 38 HD22 ASN 38 3.177 -22.359 -20.478 248 H GLY 39 H GLY 39 0.015 -17.591 -22.260 249 HA2 GLY 39 HA2 GLY 39 -1.831 -16.387 -22.899 250 HA3 GLY 39 HA3 GLY 39 -2.761 -17.872 -22.786 251 H GLU 40 H GLU 40 -1.064 -17.040 -19.951 252 HA GLU 40 HA GLU 40 -3.584 -16.204 -18.749 253 HB2 GLU 40 HB2 GLU 40 -2.467 -16.757 -16.557 254 HB3 GLU 40 HB3 GLU 40 -2.711 -18.121 -17.629 255 HG2 GLU 40 HG2 GLU 40 -0.336 -17.953 -18.316 256 HG3 GLU 40 HG3 GLU 40 -0.123 -16.664 -17.133 257 HA PRO 41 HA PRO 41 -1.846 -12.064 -18.559 258 HB2 PRO 41 HB2 PRO 41 -4.020 -10.935 -17.353 259 HB3 PRO 41 HB3 PRO 41 -3.939 -11.257 -19.090 260 HG2 PRO 41 HG2 PRO 41 -5.250 -12.858 -16.926 261 HG3 PRO 41 HG3 PRO 41 -5.854 -12.458 -18.545 262 HD2 PRO 41 HD2 PRO 41 -4.790 -14.862 -17.961 263 HD3 PRO 41 HD3 PRO 41 -4.597 -14.111 -19.559 264 H CYS 42 H CYS 42 -1.916 -10.363 -16.594 265 HA CYS 42 HA CYS 42 -0.766 -11.815 -14.399 266 HB2 CYS 42 HB2 CYS 42 0.032 -9.708 -13.604 267 HB3 CYS 42 HB3 CYS 42 0.175 -9.661 -15.355 268 HA PRO 43 HA PRO 43 -3.953 -12.179 -11.400 269 HB2 PRO 43 HB2 PRO 43 -2.528 -10.127 -9.758 270 HB3 PRO 43 HB3 PRO 43 -3.169 -11.703 -9.278 271 HG2 PRO 43 HG2 PRO 43 -0.569 -11.395 -9.711 272 HG3 PRO 43 HG3 PRO 43 -1.406 -12.863 -10.245 273 HD2 PRO 43 HD2 PRO 43 -0.400 -10.573 -11.847 274 HD3 PRO 43 HD3 PRO 43 -0.551 -12.283 -12.292 275 H ALA 44 H ALA 44 -3.031 -8.797 -11.963 276 HA ALA 44 HA ALA 44 -5.238 -7.512 -10.813 277 HB1 ALA 44 HB1 ALA 44 -4.609 -5.601 -12.234 278 HB2 ALA 44 HB2 ALA 44 -3.539 -6.656 -13.155 279 HB3 ALA 44 HB3 ALA 44 -3.211 -6.336 -11.451 280 HA PRO 45 HA PRO 45 -8.300 -8.842 -13.912 281 HB2 PRO 45 HB2 PRO 45 -10.259 -7.526 -12.175 282 HB3 PRO 45 HB3 PRO 45 -10.133 -9.232 -12.610 283 HG2 PRO 45 HG2 PRO 45 -9.597 -8.371 -10.119 284 HG3 PRO 45 HG3 PRO 45 -8.698 -9.708 -10.858 285 HD2 PRO 45 HD2 PRO 45 -7.925 -6.826 -10.597 286 HD3 PRO 45 HD3 PRO 45 -6.963 -8.285 -10.258 287 H ASP 46 H ASP 46 -7.437 -5.750 -12.805 288 HA ASP 46 HA ASP 46 -9.251 -4.397 -14.653 289 HB2 ASP 46 HB2 ASP 46 -7.347 -3.221 -12.619 290 HB3 ASP 46 HB3 ASP 46 -8.458 -2.302 -13.622 291 H CYS 47 H CYS 47 -6.245 -5.764 -14.759 292 HA CYS 47 HA CYS 47 -5.067 -3.748 -16.496 293 HB2 CYS 47 HB2 CYS 47 -3.959 -5.578 -14.748 294 HB3 CYS 47 HB3 CYS 47 -3.674 -6.324 -16.316 295 H HIS 48 H HIS 48 -4.443 -4.229 -18.677 296 HA HIS 48 HA HIS 48 -5.962 -6.417 -19.931 297 HB2 HIS 48 HB2 HIS 48 -5.883 -3.545 -20.899 298 HB3 HIS 48 HB3 HIS 48 -6.615 -4.884 -21.767 299 HD1 HIS 48 HD1 HIS 48 -8.948 -5.591 -21.070 300 HD2 HIS 48 HD2 HIS 48 -7.317 -2.683 -18.599 301 HE1 HIS 48 HE1 HIS 48 -10.839 -4.808 -19.618 302 HE2 HIS 48 HE2 HIS 48 -9.743 -3.273 -17.951 303 H CYS 49 H CYS 49 -3.093 -5.992 -19.282 304 HA CYS 49 HA CYS 49 -1.792 -5.327 -21.712 305 HB2 CYS 49 HB2 CYS 49 0.268 -6.165 -20.576 306 HB3 CYS 49 HB3 CYS 49 -0.631 -4.978 -19.647 307 H GLU 50 H GLU 50 -0.955 -6.549 -23.292 308 HA GLU 50 HA GLU 50 -0.650 -8.260 -24.733 309 HB2 GLU 50 HB2 GLU 50 0.183 -9.264 -22.357 310 HB3 GLU 50 HB3 GLU 50 -1.076 -10.417 -22.773 311 HG2 GLU 50 HG2 GLU 50 1.039 -11.227 -23.572 312 HG3 GLU 50 HG3 GLU 50 0.028 -10.790 -24.946 313 H ARG 51 H ARG 51 -3.285 -7.231 -24.370 314 HA ARG 51 HA ARG 51 -5.126 -9.450 -24.407 315 HB2 ARG 51 HB2 ARG 51 -6.851 -7.803 -24.941 316 HB3 ARG 51 HB3 ARG 51 -5.878 -7.269 -23.579 317 HG2 ARG 51 HG2 ARG 51 -5.001 -5.513 -24.710 318 HG3 ARG 51 HG3 ARG 51 -5.056 -6.340 -26.269 319 HD2 ARG 51 HD2 ARG 51 -7.451 -5.980 -26.415 320 HD3 ARG 51 HD3 ARG 51 -7.476 -5.280 -24.798 321 HE ARG 51 HE ARG 51 -5.967 -3.517 -25.781 322 HH11 ARG 51 HH11 ARG 51 -8.288 -5.254 -27.761 323 HH12 ARG 51 HH12 ARG 51 -8.491 -3.956 -28.881 324 HH21 ARG 51 HH21 ARG 51 -6.223 -1.809 -27.252 325 HH22 ARG 51 HH22 ARG 51 -7.304 -1.973 -28.594 326 H SER 52 H SER 52 -2.980 -8.287 -26.633 327 HA SER 52 HA SER 52 -4.686 -8.880 -28.942 328 HB2 SER 52 HB2 SER 52 -1.884 -7.760 -28.992 329 HB3 SER 52 HB3 SER 52 -3.093 -7.717 -30.275 330 HG SER 52 HG SER 52 -2.777 -6.081 -28.087 Start of MODEL 7 1 HA ASN 1 HA ASN 1 10.636 5.251 -10.433 2 HB2 ASN 1 HB2 ASN 1 9.507 6.879 -8.140 3 HB3 ASN 1 HB3 ASN 1 11.213 6.535 -8.410 4 HD21 ASN 1 HD21 ASN 1 12.273 7.523 -10.163 5 HD22 ASN 1 HD22 ASN 1 11.619 8.933 -10.919 6 H GLU 2 H GLU 2 7.912 3.996 -9.230 7 HA GLU 2 HA GLU 2 9.058 2.456 -7.051 8 HB2 GLU 2 HB2 GLU 2 6.805 1.426 -6.970 9 HB3 GLU 2 HB3 GLU 2 6.730 3.182 -6.884 10 HG2 GLU 2 HG2 GLU 2 6.109 3.308 -9.215 11 HG3 GLU 2 HG3 GLU 2 6.286 1.563 -9.381 12 H LEU 3 H LEU 3 8.385 -0.039 -7.272 13 HA LEU 3 HA LEU 3 9.867 -1.041 -9.472 14 HB2 LEU 3 HB2 LEU 3 9.741 -2.206 -7.293 15 HB3 LEU 3 HB3 LEU 3 8.044 -2.541 -7.588 16 HG LEU 3 HG LEU 3 8.585 -3.985 -9.438 17 HD11 LEU 3 HD11 LEU 3 10.427 -2.811 -10.391 18 HD12 LEU 3 HD12 LEU 3 10.940 -4.458 -10.016 19 HD13 LEU 3 HD13 LEU 3 11.427 -3.122 -8.971 20 HD21 LEU 3 HD21 LEU 3 8.655 -4.972 -7.212 21 HD22 LEU 3 HD22 LEU 3 10.365 -4.558 -7.075 22 HD23 LEU 3 HD23 LEU 3 9.834 -5.732 -8.280 23 H ARG 4 H ARG 4 9.198 -1.385 -11.455 24 HA ARG 4 HA ARG 4 6.314 -1.463 -11.907 25 HB2 ARG 4 HB2 ARG 4 6.833 -0.262 -14.084 26 HB3 ARG 4 HB3 ARG 4 7.006 0.676 -12.608 27 HG2 ARG 4 HG2 ARG 4 9.483 0.060 -12.713 28 HG3 ARG 4 HG3 ARG 4 9.157 -0.458 -14.367 29 HD2 ARG 4 HD2 ARG 4 8.302 1.789 -14.881 30 HD3 ARG 4 HD3 ARG 4 8.679 2.301 -13.235 31 HE ARG 4 HE ARG 4 10.986 1.228 -14.399 32 HH11 ARG 4 HH11 ARG 4 8.897 4.020 -14.762 33 HH12 ARG 4 HH12 ARG 4 10.165 5.053 -15.329 34 HH21 ARG 4 HH21 ARG 4 12.662 2.583 -15.174 35 HH22 ARG 4 HH22 ARG 4 12.311 4.227 -15.573 36 H CYS 5 H CYS 5 5.499 -2.743 -13.520 37 HA CYS 5 HA CYS 5 7.001 -5.108 -14.115 38 HB2 CYS 5 HB2 CYS 5 4.526 -5.031 -13.592 39 HB3 CYS 5 HB3 CYS 5 4.275 -4.284 -15.162 40 H GLY 6 H GLY 6 7.870 -5.725 -16.088 41 HA2 GLY 6 HA2 GLY 6 8.613 -3.673 -17.902 42 HA3 GLY 6 HA3 GLY 6 8.942 -5.384 -18.087 43 H CYS 7 H CYS 7 5.709 -5.387 -17.809 44 HA CYS 7 HA CYS 7 5.274 -5.701 -20.608 45 HB2 CYS 7 HB2 CYS 7 3.882 -6.306 -18.219 46 HB3 CYS 7 HB3 CYS 7 2.819 -5.293 -19.192 47 HA PRO 8 HA PRO 8 4.568 -1.547 -21.906 48 HB2 PRO 8 HB2 PRO 8 2.260 -2.494 -23.510 49 HB3 PRO 8 HB3 PRO 8 3.727 -1.665 -24.035 50 HG2 PRO 8 HG2 PRO 8 3.383 -4.249 -24.544 51 HG3 PRO 8 HG3 PRO 8 4.976 -3.619 -24.080 52 HD2 PRO 8 HD2 PRO 8 2.965 -5.094 -22.424 53 HD3 PRO 8 HD3 PRO 8 4.732 -5.279 -22.485 54 H ASP 9 H ASP 9 1.396 -3.140 -21.633 55 HA ASP 9 HA ASP 9 0.314 -0.656 -20.525 56 HB2 ASP 9 HB2 ASP 9 -0.905 -3.007 -21.907 57 HB3 ASP 9 HB3 ASP 9 -1.908 -1.986 -20.883 58 H CYS 10 H CYS 10 1.872 -2.828 -19.037 59 HA CYS 10 HA CYS 10 -0.188 -3.340 -17.003 60 HB2 CYS 10 HB2 CYS 10 0.823 -5.371 -18.092 61 HB3 CYS 10 HB3 CYS 10 2.361 -4.889 -17.387 62 H HIS 11 H HIS 11 0.724 -3.567 -14.802 63 HA HIS 11 HA HIS 11 3.169 -2.289 -14.140 64 HB2 HIS 11 HB2 HIS 11 1.744 -0.295 -14.668 65 HB3 HIS 11 HB3 HIS 11 0.640 -0.801 -13.394 66 HD2 HIS 11 HD2 HIS 11 1.732 -0.583 -10.756 67 HE1 HIS 11 HE1 HIS 11 4.865 2.002 -11.937 68 HE2 HIS 11 HE2 HIS 11 3.700 0.893 -9.997 69 H CYS 12 H CYS 12 -0.103 -2.814 -12.823 70 HA CYS 12 HA CYS 12 -0.850 -3.745 -10.902 71 HB2 CYS 12 HB2 CYS 12 1.142 -5.616 -12.021 72 HB3 CYS 12 HB3 CYS 12 0.613 -5.950 -10.378 73 H LYS 13 H LYS 13 0.530 -5.232 -8.934 74 HA LYS 13 HA LYS 13 2.275 -3.209 -7.723 75 HB2 LYS 13 HB2 LYS 13 0.251 -4.937 -6.295 76 HB3 LYS 13 HB3 LYS 13 1.249 -3.680 -5.576 77 HG2 LYS 13 HG2 LYS 13 0.035 -1.965 -6.622 78 HG3 LYS 13 HG3 LYS 13 -0.719 -3.083 -7.761 79 HD2 LYS 13 HD2 LYS 13 -1.878 -4.153 -5.847 80 HD3 LYS 13 HD3 LYS 13 -1.207 -2.906 -4.797 81 HE2 LYS 13 HE2 LYS 13 -2.383 -1.189 -6.014 82 HE3 LYS 13 HE3 LYS 13 -2.951 -2.368 -7.193 83 HZ1 LYS 13 HZ1 LYS 13 -4.664 -1.841 -5.584 84 HZ2 LYS 13 HZ2 LYS 13 -3.667 -2.324 -4.309 85 HZ3 LYS 13 HZ3 LYS 13 -4.206 -3.459 -5.437 86 H VAL 14 H VAL 14 4.161 -4.230 -8.147 87 HA VAL 14 HA VAL 14 4.388 -7.058 -7.441 88 HB VAL 14 HB VAL 14 4.960 -6.682 -9.726 89 HG11 VAL 14 HG11 VAL 14 6.795 -4.508 -8.762 90 HG12 VAL 14 HG12 VAL 14 5.345 -4.328 -9.749 91 HG13 VAL 14 HG13 VAL 14 6.768 -5.132 -10.411 92 HG21 VAL 14 HG21 VAL 14 6.403 -8.273 -8.587 93 HG22 VAL 14 HG22 VAL 14 7.502 -6.972 -8.125 94 HG23 VAL 14 HG23 VAL 14 7.305 -7.400 -9.826 95 H ASP 15 H ASP 15 5.505 -7.647 -5.718 96 HA ASP 15 HA ASP 15 6.936 -5.643 -4.198 97 HB2 ASP 15 HB2 ASP 15 6.109 -8.477 -3.621 98 HB3 ASP 15 HB3 ASP 15 7.260 -7.643 -2.587 99 HA PRO 16 HA PRO 16 10.898 -6.637 -5.881 100 HB2 PRO 16 HB2 PRO 16 12.406 -5.555 -3.865 101 HB3 PRO 16 HB3 PRO 16 11.635 -4.603 -5.139 102 HG2 PRO 16 HG2 PRO 16 10.711 -5.128 -2.345 103 HG3 PRO 16 HG3 PRO 16 10.675 -3.616 -3.270 104 HD2 PRO 16 HD2 PRO 16 8.483 -5.132 -2.957 105 HD3 PRO 16 HD3 PRO 16 8.791 -4.241 -4.460 106 H GLU 17 H GLU 17 9.745 -7.819 -2.858 107 HA GLU 17 HA GLU 17 12.096 -9.395 -2.314 108 HB2 GLU 17 HB2 GLU 17 10.504 -8.468 -0.564 109 HB3 GLU 17 HB3 GLU 17 9.390 -9.740 -1.041 110 HG2 GLU 17 HG2 GLU 17 11.039 -11.424 -0.432 111 HG3 GLU 17 HG3 GLU 17 12.172 -10.155 0.027 112 H ARG 18 H ARG 18 9.587 -9.671 -4.467 113 HA ARG 18 HA ARG 18 10.184 -12.521 -4.873 114 HB2 ARG 18 HB2 ARG 18 7.917 -13.115 -5.207 115 HB3 ARG 18 HB3 ARG 18 7.935 -12.191 -3.713 116 HG2 ARG 18 HG2 ARG 18 7.018 -10.281 -4.781 117 HG3 ARG 18 HG3 ARG 18 7.256 -10.984 -6.382 118 HD2 ARG 18 HD2 ARG 18 5.686 -12.809 -5.708 119 HD3 ARG 18 HD3 ARG 18 5.344 -11.888 -4.245 120 HE ARG 18 HE ARG 18 4.477 -11.289 -6.950 121 HH11 ARG 18 HH11 ARG 18 4.798 -10.165 -3.654 122 HH12 ARG 18 HH12 ARG 18 3.626 -8.909 -3.816 123 HH21 ARG 18 HH21 ARG 18 2.889 -9.627 -7.179 124 HH22 ARG 18 HH22 ARG 18 2.524 -8.605 -5.830 125 H VAL 19 H VAL 19 10.959 -9.894 -6.050 126 HA VAL 19 HA VAL 19 9.589 -9.401 -8.424 127 HB VAL 19 HB VAL 19 11.061 -7.717 -7.518 128 HG11 VAL 19 HG11 VAL 19 12.782 -9.088 -6.529 129 HG12 VAL 19 HG12 VAL 19 13.515 -7.933 -7.644 130 HG13 VAL 19 HG13 VAL 19 13.316 -9.617 -8.125 131 HG21 VAL 19 HG21 VAL 19 12.066 -8.685 -10.184 132 HG22 VAL 19 HG22 VAL 19 12.273 -7.060 -9.532 133 HG23 VAL 19 HG23 VAL 19 10.659 -7.660 -9.911 134 H PHE 20 H PHE 20 9.342 -10.623 -10.107 135 HA PHE 20 HA PHE 20 11.104 -12.803 -10.684 136 HB2 PHE 20 HB2 PHE 20 8.711 -11.656 -12.143 137 HB3 PHE 20 HB3 PHE 20 9.623 -13.038 -12.735 138 HD1 PHE 20 HD1 PHE 20 7.989 -11.919 -9.557 139 HD2 PHE 20 HD2 PHE 20 8.765 -15.111 -12.266 140 HE1 PHE 20 HE1 PHE 20 6.609 -13.414 -8.183 141 HE2 PHE 20 HE2 PHE 20 7.383 -16.614 -10.892 142 HZ PHE 20 HZ PHE 20 6.301 -15.765 -8.850 143 H ASN 21 H ASN 21 13.040 -12.354 -11.455 144 HA ASN 21 HA ASN 21 13.405 -10.058 -13.198 145 HB2 ASN 21 HB2 ASN 21 15.018 -10.410 -11.362 146 HB3 ASN 21 HB3 ASN 21 15.457 -11.967 -12.059 147 HD21 ASN 21 HD21 ASN 21 16.536 -11.993 -14.099 148 HD22 ASN 21 HD22 ASN 21 17.459 -10.623 -14.614 149 H HIS 22 H HIS 22 12.774 -10.500 -15.167 150 HA HIS 22 HA HIS 22 13.985 -12.848 -16.439 151 HB2 HIS 22 HB2 HIS 22 11.476 -13.009 -16.006 152 HB3 HIS 22 HB3 HIS 22 11.284 -11.707 -17.173 153 HD2 HIS 22 HD2 HIS 22 11.790 -12.453 -19.852 154 HE1 HIS 22 HE1 HIS 22 11.846 -16.610 -19.047 155 HE2 HIS 22 HE2 HIS 22 11.744 -14.849 -20.831 156 H ASP 23 H ASP 23 15.308 -12.285 -18.016 157 HA ASP 23 HA ASP 23 16.402 -11.097 -19.600 158 HB2 ASP 23 HB2 ASP 23 13.591 -10.185 -20.026 159 HB3 ASP 23 HB3 ASP 23 14.880 -9.290 -20.826 160 H GLY 24 H GLY 24 16.189 -10.190 -16.823 161 HA2 GLY 24 HA2 GLY 24 17.272 -8.525 -15.637 162 HA3 GLY 24 HA3 GLY 24 17.575 -7.696 -17.156 163 H GLU 25 H GLU 25 14.345 -8.625 -16.286 164 HA GLU 25 HA GLU 25 13.760 -5.866 -15.485 165 HB2 GLU 25 HB2 GLU 25 12.369 -7.504 -17.565 166 HB3 GLU 25 HB3 GLU 25 11.562 -6.178 -16.742 167 HG2 GLU 25 HG2 GLU 25 13.252 -4.653 -17.506 168 HG3 GLU 25 HG3 GLU 25 14.093 -5.972 -18.329 169 H ALA 26 H ALA 26 11.537 -5.672 -14.598 170 HA ALA 26 HA ALA 26 11.056 -7.910 -12.767 171 HB1 ALA 26 HB1 ALA 26 11.706 -5.831 -11.689 172 HB2 ALA 26 HB2 ALA 26 10.029 -6.228 -11.309 173 HB3 ALA 26 HB3 ALA 26 10.392 -4.983 -12.502 174 H TYR 27 H TYR 27 9.092 -8.830 -12.696 175 HA TYR 27 HA TYR 27 6.880 -7.550 -14.132 176 HB2 TYR 27 HB2 TYR 27 7.756 -10.429 -14.408 177 HB3 TYR 27 HB3 TYR 27 6.205 -9.818 -14.971 178 HD1 TYR 27 HD1 TYR 27 9.799 -9.961 -15.612 179 HD2 TYR 27 HD2 TYR 27 6.101 -8.292 -16.902 180 HE1 TYR 27 HE1 TYR 27 10.824 -9.359 -17.765 181 HE2 TYR 27 HE2 TYR 27 7.115 -7.691 -19.053 182 HH TYR 27 HH TYR 27 9.490 -7.209 -19.903 183 H CYS 28 H CYS 28 4.768 -8.197 -13.373 184 HA CYS 28 HA CYS 28 4.750 -8.496 -10.558 185 HB2 CYS 28 HB2 CYS 28 2.282 -8.511 -10.752 186 HB3 CYS 28 HB3 CYS 28 3.024 -7.179 -11.623 187 H SER 29 H SER 29 4.213 -10.765 -13.173 188 HA SER 29 HA SER 29 4.525 -12.930 -11.276 189 HB2 SER 29 HB2 SER 29 2.076 -12.706 -13.042 190 HB3 SER 29 HB3 SER 29 2.517 -14.130 -12.100 191 HG SER 29 HG SER 29 2.618 -12.183 -10.397 192 H GLN 30 H GLN 30 4.532 -15.115 -12.526 193 HA GLN 30 HA GLN 30 6.656 -14.909 -14.359 194 HB2 GLN 30 HB2 GLN 30 6.472 -17.370 -14.597 195 HB3 GLN 30 HB3 GLN 30 6.539 -16.834 -12.929 196 HG2 GLN 30 HG2 GLN 30 4.898 -18.400 -12.764 197 HG3 GLN 30 HG3 GLN 30 3.910 -16.993 -13.142 198 HE21 GLN 30 HE21 GLN 30 2.268 -18.191 -14.036 199 HE22 GLN 30 HE22 GLN 30 2.413 -19.010 -15.553 200 H ALA 31 H ALA 31 3.198 -15.372 -14.901 201 HA ALA 31 HA ALA 31 3.398 -16.095 -17.612 202 HB1 ALA 31 HB1 ALA 31 1.328 -16.365 -16.301 203 HB2 ALA 31 HB2 ALA 31 1.052 -15.512 -17.813 204 HB3 ALA 31 HB3 ALA 31 1.119 -14.612 -16.294 205 H CYS 32 H CYS 32 3.563 -12.997 -16.034 206 HA CYS 32 HA CYS 32 3.366 -11.462 -18.460 207 HB2 CYS 32 HB2 CYS 32 3.570 -10.920 -15.618 208 HB3 CYS 32 HB3 CYS 32 4.677 -9.906 -16.533 209 H ALA 33 H ALA 33 5.934 -12.560 -16.312 210 HA ALA 33 HA ALA 33 8.094 -11.246 -17.468 211 HB1 ALA 33 HB1 ALA 33 8.217 -12.366 -15.310 212 HB2 ALA 33 HB2 ALA 33 9.486 -12.934 -16.397 213 HB3 ALA 33 HB3 ALA 33 8.063 -13.932 -16.107 214 H GLU 34 H GLU 34 6.630 -14.325 -18.276 215 HA GLU 34 HA GLU 34 8.681 -14.883 -20.240 216 HB2 GLU 34 HB2 GLU 34 6.222 -16.411 -19.480 217 HB3 GLU 34 HB3 GLU 34 7.551 -16.999 -20.479 218 HG2 GLU 34 HG2 GLU 34 9.053 -16.936 -18.672 219 HG3 GLU 34 HG3 GLU 34 7.915 -16.034 -17.673 220 H GLN 35 H GLN 35 6.341 -12.792 -20.404 221 HA GLN 35 HA GLN 35 5.328 -11.719 -22.126 222 HB2 GLN 35 HB2 GLN 35 6.728 -13.694 -23.926 223 HB3 GLN 35 HB3 GLN 35 6.032 -12.153 -24.401 224 HG2 GLN 35 HG2 GLN 35 8.470 -12.662 -22.737 225 HG3 GLN 35 HG3 GLN 35 8.345 -11.802 -24.273 226 HE21 GLN 35 HE21 GLN 35 8.050 -11.592 -20.853 227 HE22 GLN 35 HE22 GLN 35 7.713 -9.900 -20.782 228 H HIS 36 H HIS 36 4.108 -13.989 -20.810 229 HA HIS 36 HA HIS 36 2.311 -15.373 -20.928 230 HB2 HIS 36 HB2 HIS 36 1.406 -13.592 -23.207 231 HB3 HIS 36 HB3 HIS 36 0.388 -14.548 -22.137 232 HD1 HIS 36 HD1 HIS 36 0.086 -13.635 -19.676 233 HD2 HIS 36 HD2 HIS 36 2.145 -11.109 -22.246 234 HE1 HIS 36 HE1 HIS 36 0.181 -11.419 -18.509 235 HA PRO 37 HA PRO 37 4.250 -17.531 -24.589 236 HB2 PRO 37 HB2 PRO 37 4.889 -19.816 -23.250 237 HB3 PRO 37 HB3 PRO 37 5.951 -18.406 -23.319 238 HG2 PRO 37 HG2 PRO 37 4.084 -19.267 -21.149 239 HG3 PRO 37 HG3 PRO 37 5.732 -18.625 -21.020 240 HD2 PRO 37 HD2 PRO 37 3.538 -17.111 -20.580 241 HD3 PRO 37 HD3 PRO 37 5.032 -16.439 -21.270 242 H ASN 38 H ASN 38 1.881 -18.495 -22.226 243 HA ASN 38 HA ASN 38 0.765 -20.409 -24.160 244 HB2 ASN 38 HB2 ASN 38 0.279 -20.240 -21.182 245 HB3 ASN 38 HB3 ASN 38 -0.391 -21.452 -22.265 246 HD21 ASN 38 HD21 ASN 38 2.092 -21.675 -23.795 247 HD22 ASN 38 HD22 ASN 38 3.182 -22.571 -22.794 248 H GLY 39 H GLY 39 0.380 -17.323 -23.197 249 HA2 GLY 39 HA2 GLY 39 -1.351 -15.864 -23.762 250 HA3 GLY 39 HA3 GLY 39 -2.379 -17.254 -24.084 251 H GLU 40 H GLU 40 -0.657 -17.132 -21.102 252 HA GLU 40 HA GLU 40 -3.163 -16.923 -19.653 253 HB2 GLU 40 HB2 GLU 40 -0.396 -17.292 -18.514 254 HB3 GLU 40 HB3 GLU 40 -1.929 -17.601 -17.715 255 HG2 GLU 40 HG2 GLU 40 -0.691 -19.127 -19.966 256 HG3 GLU 40 HG3 GLU 40 -0.945 -19.669 -18.311 257 HA PRO 41 HA PRO 41 -2.272 -12.532 -19.120 258 HB2 PRO 41 HB2 PRO 41 -4.758 -12.532 -17.560 259 HB3 PRO 41 HB3 PRO 41 -4.388 -11.676 -19.060 260 HG2 PRO 41 HG2 PRO 41 -6.113 -13.756 -18.970 261 HG3 PRO 41 HG3 PRO 41 -5.102 -13.417 -20.385 262 HD2 PRO 41 HD2 PRO 41 -4.724 -15.464 -18.235 263 HD3 PRO 41 HD3 PRO 41 -4.461 -15.593 -19.988 264 H CYS 42 H CYS 42 -2.061 -11.085 -17.195 265 HA CYS 42 HA CYS 42 -0.905 -12.521 -15.010 266 HB2 CYS 42 HB2 CYS 42 -0.247 -10.359 -14.164 267 HB3 CYS 42 HB3 CYS 42 -0.038 -10.327 -15.908 268 HA PRO 43 HA PRO 43 -4.396 -12.769 -12.337 269 HB2 PRO 43 HB2 PRO 43 -3.350 -12.378 -9.874 270 HB3 PRO 43 HB3 PRO 43 -3.019 -13.825 -10.832 271 HG2 PRO 43 HG2 PRO 43 -1.340 -11.387 -10.444 272 HG3 PRO 43 HG3 PRO 43 -0.851 -13.089 -10.461 273 HD2 PRO 43 HD2 PRO 43 -0.531 -11.429 -12.591 274 HD3 PRO 43 HD3 PRO 43 -0.782 -13.176 -12.755 275 H ALA 44 H ALA 44 -4.492 -10.303 -13.514 276 HA ALA 44 HA ALA 44 -5.588 -8.647 -11.343 277 HB1 ALA 44 HB1 ALA 44 -3.453 -7.665 -11.978 278 HB2 ALA 44 HB2 ALA 44 -4.784 -6.628 -12.494 279 HB3 ALA 44 HB3 ALA 44 -3.950 -7.644 -13.669 280 HA PRO 45 HA PRO 45 -9.017 -9.331 -14.219 281 HB2 PRO 45 HB2 PRO 45 -10.556 -7.946 -12.120 282 HB3 PRO 45 HB3 PRO 45 -10.781 -9.566 -12.788 283 HG2 PRO 45 HG2 PRO 45 -9.841 -9.193 -10.303 284 HG3 PRO 45 HG3 PRO 45 -9.272 -10.524 -11.325 285 HD2 PRO 45 HD2 PRO 45 -7.956 -7.904 -10.719 286 HD3 PRO 45 HD3 PRO 45 -7.246 -9.532 -10.814 287 H ASP 46 H ASP 46 -8.039 -6.374 -12.660 288 HA ASP 46 HA ASP 46 -9.763 -4.703 -14.288 289 HB2 ASP 46 HB2 ASP 46 -9.257 -4.041 -11.982 290 HB3 ASP 46 HB3 ASP 46 -7.544 -3.968 -12.367 291 H CYS 47 H CYS 47 -6.587 -5.988 -14.439 292 HA CYS 47 HA CYS 47 -5.556 -3.966 -16.202 293 HB2 CYS 47 HB2 CYS 47 -4.194 -5.281 -14.528 294 HB3 CYS 47 HB3 CYS 47 -4.352 -6.659 -15.612 295 H HIS 48 H HIS 48 -4.884 -4.320 -18.366 296 HA HIS 48 HA HIS 48 -6.126 -6.585 -19.782 297 HB2 HIS 48 HB2 HIS 48 -6.376 -3.692 -20.658 298 HB3 HIS 48 HB3 HIS 48 -7.020 -5.091 -21.502 299 HD1 HIS 48 HD1 HIS 48 -7.962 -2.501 -19.190 300 HD2 HIS 48 HD2 HIS 48 -9.124 -6.430 -19.868 301 HE1 HIS 48 HE1 HIS 48 -10.204 -2.739 -18.092 302 HE2 HIS 48 HE2 HIS 48 -10.982 -5.037 -18.736 303 H CYS 49 H CYS 49 -3.358 -5.999 -19.057 304 HA CYS 49 HA CYS 49 -1.952 -4.685 -21.069 305 HB2 CYS 49 HB2 CYS 49 0.048 -5.689 -20.180 306 HB3 CYS 49 HB3 CYS 49 -1.012 -5.211 -18.861 307 H GLU 50 H GLU 50 -0.968 -5.238 -22.873 308 HA GLU 50 HA GLU 50 -0.374 -6.279 -24.740 309 HB2 GLU 50 HB2 GLU 50 0.478 -8.012 -22.996 310 HB3 GLU 50 HB3 GLU 50 -0.868 -8.995 -23.556 311 HG2 GLU 50 HG2 GLU 50 0.005 -9.136 -25.738 312 HG3 GLU 50 HG3 GLU 50 1.156 -7.837 -25.449 313 H ARG 51 H ARG 51 -3.478 -6.754 -23.415 314 HA ARG 51 HA ARG 51 -4.628 -8.044 -25.711 315 HB2 ARG 51 HB2 ARG 51 -5.869 -6.510 -23.416 316 HB3 ARG 51 HB3 ARG 51 -6.831 -7.102 -24.758 317 HG2 ARG 51 HG2 ARG 51 -5.967 -9.404 -24.218 318 HG3 ARG 51 HG3 ARG 51 -5.286 -8.712 -22.746 319 HD2 ARG 51 HD2 ARG 51 -7.572 -7.959 -22.091 320 HD3 ARG 51 HD3 ARG 51 -8.215 -8.767 -23.524 321 HE ARG 51 HE ARG 51 -6.901 -10.767 -22.362 322 HH11 ARG 51 HH11 ARG 51 -9.156 -8.457 -20.985 323 HH12 ARG 51 HH12 ARG 51 -9.683 -9.523 -19.732 324 HH21 ARG 51 HH21 ARG 51 -7.604 -12.182 -20.706 325 HH22 ARG 51 HH22 ARG 51 -8.800 -11.658 -19.574 326 H SER 52 H SER 52 -4.187 -4.737 -24.637 327 HA SER 52 HA SER 52 -4.519 -3.827 -27.380 328 HB2 SER 52 HB2 SER 52 -6.087 -2.621 -25.088 329 HB3 SER 52 HB3 SER 52 -6.055 -2.022 -26.746 330 HG SER 52 HG SER 52 -6.660 -4.641 -26.742 Start of MODEL 8 1 HA ASN 1 HA ASN 1 13.107 -0.711 -4.690 2 HB2 ASN 1 HB2 ASN 1 12.234 -2.711 -6.768 3 HB3 ASN 1 HB3 ASN 1 13.662 -1.708 -6.982 4 HD21 ASN 1 HD21 ASN 1 15.009 -3.470 -7.014 5 HD22 ASN 1 HD22 ASN 1 15.389 -4.381 -5.593 6 H GLU 2 H GLU 2 10.109 0.052 -5.468 7 HA GLU 2 HA GLU 2 9.103 1.769 -6.585 8 HB2 GLU 2 HB2 GLU 2 11.406 2.808 -5.645 9 HB3 GLU 2 HB3 GLU 2 11.735 2.969 -7.357 10 HG2 GLU 2 HG2 GLU 2 9.146 4.017 -6.337 11 HG3 GLU 2 HG3 GLU 2 10.614 4.900 -5.934 12 H LEU 3 H LEU 3 9.928 -0.681 -7.918 13 HA LEU 3 HA LEU 3 10.584 0.167 -10.626 14 HB2 LEU 3 HB2 LEU 3 10.758 -2.324 -11.073 15 HB3 LEU 3 HB3 LEU 3 11.966 -1.618 -10.020 16 HG LEU 3 HG LEU 3 10.592 -2.508 -8.078 17 HD11 LEU 3 HD11 LEU 3 8.509 -2.849 -9.268 18 HD12 LEU 3 HD12 LEU 3 9.087 -4.350 -8.540 19 HD13 LEU 3 HD13 LEU 3 9.277 -4.076 -10.273 20 HD21 LEU 3 HD21 LEU 3 12.667 -3.542 -8.812 21 HD22 LEU 3 HD22 LEU 3 11.782 -4.479 -10.016 22 HD23 LEU 3 HD23 LEU 3 11.500 -4.761 -8.298 23 H ARG 4 H ARG 4 9.457 -0.812 -12.442 24 HA ARG 4 HA ARG 4 6.565 -1.058 -11.912 25 HB2 ARG 4 HB2 ARG 4 7.821 0.189 -14.352 26 HB3 ARG 4 HB3 ARG 4 6.134 0.257 -13.857 27 HG2 ARG 4 HG2 ARG 4 6.564 1.782 -12.152 28 HG3 ARG 4 HG3 ARG 4 8.288 1.417 -12.133 29 HD2 ARG 4 HD2 ARG 4 7.993 3.547 -13.147 30 HD3 ARG 4 HD3 ARG 4 8.447 2.401 -14.404 31 HE ARG 4 HE ARG 4 5.661 3.248 -13.942 32 HH11 ARG 4 HH11 ARG 4 8.324 2.518 -16.121 33 HH12 ARG 4 HH12 ARG 4 7.415 2.896 -17.544 34 HH21 ARG 4 HH21 ARG 4 4.476 3.753 -15.827 35 HH22 ARG 4 HH22 ARG 4 5.238 3.612 -17.378 36 H CYS 5 H CYS 5 5.412 -2.193 -13.770 37 HA CYS 5 HA CYS 5 6.809 -4.612 -14.394 38 HB2 CYS 5 HB2 CYS 5 4.323 -4.456 -13.922 39 HB3 CYS 5 HB3 CYS 5 4.137 -3.721 -15.509 40 H GLY 6 H GLY 6 7.261 -5.423 -16.504 41 HA2 GLY 6 HA2 GLY 6 8.363 -3.387 -18.224 42 HA3 GLY 6 HA3 GLY 6 8.558 -5.119 -18.401 43 H CYS 7 H CYS 7 5.417 -5.144 -18.209 44 HA CYS 7 HA CYS 7 4.995 -5.349 -20.985 45 HB2 CYS 7 HB2 CYS 7 3.473 -5.797 -18.588 46 HB3 CYS 7 HB3 CYS 7 2.485 -4.960 -19.784 47 HA PRO 8 HA PRO 8 4.239 -1.260 -22.378 48 HB2 PRO 8 HB2 PRO 8 1.832 -2.185 -23.835 49 HB3 PRO 8 HB3 PRO 8 3.312 -1.449 -24.461 50 HG2 PRO 8 HG2 PRO 8 2.823 -4.042 -24.825 51 HG3 PRO 8 HG3 PRO 8 4.463 -3.461 -24.479 52 HD2 PRO 8 HD2 PRO 8 2.486 -4.755 -22.637 53 HD3 PRO 8 HD3 PRO 8 4.235 -5.032 -22.790 54 H ASP 9 H ASP 9 0.988 -2.706 -21.937 55 HA ASP 9 HA ASP 9 0.149 -0.160 -20.766 56 HB2 ASP 9 HB2 ASP 9 -2.156 -0.903 -21.237 57 HB3 ASP 9 HB3 ASP 9 -1.159 -0.877 -22.684 58 H CYS 10 H CYS 10 1.364 -2.869 -19.562 59 HA CYS 10 HA CYS 10 -0.566 -3.126 -17.380 60 HB2 CYS 10 HB2 CYS 10 0.273 -5.215 -18.373 61 HB3 CYS 10 HB3 CYS 10 1.914 -4.738 -17.957 62 H HIS 11 H HIS 11 -0.204 -2.383 -15.401 63 HA HIS 11 HA HIS 11 2.471 -1.582 -14.579 64 HB2 HIS 11 HB2 HIS 11 0.132 0.349 -14.577 65 HB3 HIS 11 HB3 HIS 11 1.697 0.654 -13.840 66 HD2 HIS 11 HD2 HIS 11 3.844 0.887 -15.799 67 HE1 HIS 11 HE1 HIS 11 1.162 1.844 -18.940 68 HE2 HIS 11 HE2 HIS 11 3.567 1.538 -18.282 69 H CYS 12 H CYS 12 1.506 -3.702 -13.526 70 HA CYS 12 HA CYS 12 -0.298 -3.190 -11.353 71 HB2 CYS 12 HB2 CYS 12 1.083 -5.608 -12.394 72 HB3 CYS 12 HB3 CYS 12 0.432 -5.626 -10.759 73 H LYS 13 H LYS 13 0.225 -4.112 -9.233 74 HA LYS 13 HA LYS 13 2.445 -2.711 -8.113 75 HB2 LYS 13 HB2 LYS 13 1.519 -3.688 -5.977 76 HB3 LYS 13 HB3 LYS 13 0.390 -2.701 -6.897 77 HG2 LYS 13 HG2 LYS 13 -0.342 -5.001 -7.914 78 HG3 LYS 13 HG3 LYS 13 0.412 -5.653 -6.463 79 HD2 LYS 13 HD2 LYS 13 -1.029 -4.183 -5.099 80 HD3 LYS 13 HD3 LYS 13 -1.821 -3.632 -6.576 81 HE2 LYS 13 HE2 LYS 13 -2.545 -5.913 -7.050 82 HE3 LYS 13 HE3 LYS 13 -1.725 -6.485 -5.600 83 HZ1 LYS 13 HZ1 LYS 13 -4.052 -6.218 -5.171 84 HZ2 LYS 13 HZ2 LYS 13 -4.022 -4.611 -5.699 85 HZ3 LYS 13 HZ3 LYS 13 -3.201 -5.051 -4.292 86 H VAL 14 H VAL 14 4.430 -3.521 -7.972 87 HA VAL 14 HA VAL 14 4.769 -6.443 -8.037 88 HB VAL 14 HB VAL 14 6.897 -4.402 -8.676 89 HG11 VAL 14 HG11 VAL 14 7.930 -6.266 -9.886 90 HG12 VAL 14 HG12 VAL 14 6.625 -7.325 -9.346 91 HG13 VAL 14 HG13 VAL 14 7.727 -6.611 -8.167 92 HG21 VAL 14 HG21 VAL 14 6.420 -4.754 -11.055 93 HG22 VAL 14 HG22 VAL 14 5.052 -4.020 -10.219 94 HG23 VAL 14 HG23 VAL 14 5.017 -5.734 -10.627 95 H ASP 15 H ASP 15 5.730 -7.437 -6.362 96 HA ASP 15 HA ASP 15 6.790 -5.778 -4.175 97 HB2 ASP 15 HB2 ASP 15 5.684 -8.594 -4.188 98 HB3 ASP 15 HB3 ASP 15 6.493 -7.882 -2.797 99 HA PRO 16 HA PRO 16 10.843 -7.222 -5.258 100 HB2 PRO 16 HB2 PRO 16 12.141 -6.617 -2.950 101 HB3 PRO 16 HB3 PRO 16 11.663 -5.391 -4.129 102 HG2 PRO 16 HG2 PRO 16 10.306 -6.206 -1.588 103 HG3 PRO 16 HG3 PRO 16 10.594 -4.578 -2.230 104 HD2 PRO 16 HD2 PRO 16 8.204 -5.813 -2.453 105 HD3 PRO 16 HD3 PRO 16 8.816 -4.705 -3.699 106 H GLU 17 H GLU 17 9.105 -8.357 -2.486 107 HA GLU 17 HA GLU 17 10.933 -10.379 -1.694 108 HB2 GLU 17 HB2 GLU 17 7.977 -10.056 -1.151 109 HB3 GLU 17 HB3 GLU 17 8.997 -11.268 -0.393 110 HG2 GLU 17 HG2 GLU 17 10.357 -9.503 0.612 111 HG3 GLU 17 HG3 GLU 17 9.343 -8.285 -0.157 112 H ARG 18 H ARG 18 8.828 -10.113 -4.332 113 HA ARG 18 HA ARG 18 9.384 -12.853 -5.101 114 HB2 ARG 18 HB2 ARG 18 7.047 -13.370 -5.626 115 HB3 ARG 18 HB3 ARG 18 7.271 -13.092 -3.906 116 HG2 ARG 18 HG2 ARG 18 6.246 -10.961 -4.027 117 HG3 ARG 18 HG3 ARG 18 6.275 -10.977 -5.792 118 HD2 ARG 18 HD2 ARG 18 4.055 -11.475 -5.100 119 HD3 ARG 18 HD3 ARG 18 4.776 -12.957 -5.722 120 HE ARG 18 HE ARG 18 5.085 -12.741 -2.906 121 HH11 ARG 18 HH11 ARG 18 2.830 -13.603 -5.452 122 HH12 ARG 18 HH12 ARG 18 1.834 -14.569 -4.426 123 HH21 ARG 18 HH21 ARG 18 3.772 -14.029 -1.542 124 HH22 ARG 18 HH22 ARG 18 2.374 -14.813 -2.189 125 H VAL 19 H VAL 19 10.220 -10.271 -6.033 126 HA VAL 19 HA VAL 19 8.716 -9.579 -8.354 127 HB VAL 19 HB VAL 19 9.976 -7.828 -7.239 128 HG11 VAL 19 HG11 VAL 19 12.448 -9.402 -7.939 129 HG12 VAL 19 HG12 VAL 19 11.804 -9.121 -6.322 130 HG13 VAL 19 HG13 VAL 19 12.433 -7.772 -7.267 131 HG21 VAL 19 HG21 VAL 19 11.141 -8.433 -9.957 132 HG22 VAL 19 HG22 VAL 19 11.173 -6.864 -9.151 133 HG23 VAL 19 HG23 VAL 19 9.633 -7.576 -9.635 134 H PHE 20 H PHE 20 8.844 -10.384 -10.316 135 HA PHE 20 HA PHE 20 10.886 -12.388 -10.843 136 HB2 PHE 20 HB2 PHE 20 8.303 -11.699 -12.242 137 HB3 PHE 20 HB3 PHE 20 9.467 -12.851 -12.888 138 HD1 PHE 20 HD1 PHE 20 7.412 -12.152 -9.858 139 HD2 PHE 20 HD2 PHE 20 9.369 -15.077 -12.254 140 HE1 PHE 20 HE1 PHE 20 6.384 -13.937 -8.516 141 HE2 PHE 20 HE2 PHE 20 8.350 -16.866 -10.906 142 HZ PHE 20 HZ PHE 20 6.854 -16.296 -9.036 143 H ASN 21 H ASN 21 12.676 -11.638 -11.597 144 HA ASN 21 HA ASN 21 12.661 -9.356 -13.415 145 HB2 ASN 21 HB2 ASN 21 14.212 -9.222 -11.534 146 HB3 ASN 21 HB3 ASN 21 14.939 -10.756 -11.999 147 HD21 ASN 21 HD21 ASN 21 16.228 -10.846 -13.871 148 HD22 ASN 21 HD22 ASN 21 16.936 -9.415 -14.537 149 H HIS 22 H HIS 22 12.531 -9.827 -15.472 150 HA HIS 22 HA HIS 22 14.152 -12.050 -16.468 151 HB2 HIS 22 HB2 HIS 22 11.657 -12.633 -16.222 152 HB3 HIS 22 HB3 HIS 22 11.390 -11.514 -17.550 153 HD2 HIS 22 HD2 HIS 22 11.716 -12.616 -20.029 154 HE1 HIS 22 HE1 HIS 22 13.563 -16.222 -18.790 155 HE2 HIS 22 HE2 HIS 22 12.264 -15.074 -20.597 156 H ASP 23 H ASP 23 15.256 -11.586 -18.279 157 HA ASP 23 HA ASP 23 16.175 -10.398 -19.984 158 HB2 ASP 23 HB2 ASP 23 13.761 -10.497 -20.834 159 HB3 ASP 23 HB3 ASP 23 13.560 -8.877 -20.180 160 H GLY 24 H GLY 24 16.041 -9.465 -17.134 161 HA2 GLY 24 HA2 GLY 24 17.186 -7.766 -16.038 162 HA3 GLY 24 HA3 GLY 24 17.291 -6.892 -17.560 163 H GLU 25 H GLU 25 14.163 -7.805 -17.242 164 HA GLU 25 HA GLU 25 13.446 -5.180 -16.164 165 HB2 GLU 25 HB2 GLU 25 12.493 -6.764 -18.399 166 HB3 GLU 25 HB3 GLU 25 11.183 -6.234 -17.352 167 HG2 GLU 25 HG2 GLU 25 13.246 -4.486 -18.643 168 HG3 GLU 25 HG3 GLU 25 11.552 -4.646 -19.118 169 H ALA 26 H ALA 26 11.609 -4.977 -14.856 170 HA ALA 26 HA ALA 26 11.169 -7.318 -13.152 171 HB1 ALA 26 HB1 ALA 26 10.352 -5.740 -11.481 172 HB2 ALA 26 HB2 ALA 26 10.506 -4.416 -12.630 173 HB3 ALA 26 HB3 ALA 26 11.946 -5.251 -12.052 174 H TYR 27 H TYR 27 9.204 -8.253 -12.992 175 HA TYR 27 HA TYR 27 6.960 -6.937 -14.362 176 HB2 TYR 27 HB2 TYR 27 7.695 -9.867 -14.479 177 HB3 TYR 27 HB3 TYR 27 6.223 -9.172 -15.141 178 HD1 TYR 27 HD1 TYR 27 9.803 -9.658 -15.626 179 HD2 TYR 27 HD2 TYR 27 6.332 -7.696 -17.119 180 HE1 TYR 27 HE1 TYR 27 10.962 -9.227 -17.746 181 HE2 TYR 27 HE2 TYR 27 7.484 -7.265 -19.246 182 HH TYR 27 HH TYR 27 10.424 -8.776 -20.075 183 H CYS 28 H CYS 28 4.840 -7.535 -13.583 184 HA CYS 28 HA CYS 28 4.792 -7.778 -10.731 185 HB2 CYS 28 HB2 CYS 28 2.392 -7.546 -10.917 186 HB3 CYS 28 HB3 CYS 28 3.156 -6.404 -12.015 187 H SER 29 H SER 29 4.355 -9.922 -13.405 188 HA SER 29 HA SER 29 4.060 -12.142 -11.541 189 HB2 SER 29 HB2 SER 29 2.347 -13.130 -13.058 190 HB3 SER 29 HB3 SER 29 1.805 -11.650 -12.263 191 HG SER 29 HG SER 29 2.041 -10.537 -14.147 192 H GLN 30 H GLN 30 4.592 -14.199 -12.520 193 HA GLN 30 HA GLN 30 6.880 -14.078 -14.167 194 HB2 GLN 30 HB2 GLN 30 6.672 -16.573 -14.217 195 HB3 GLN 30 HB3 GLN 30 6.685 -15.875 -12.606 196 HG2 GLN 30 HG2 GLN 30 4.180 -16.042 -12.621 197 HG3 GLN 30 HG3 GLN 30 4.325 -16.958 -14.118 198 HE21 GLN 30 HE21 GLN 30 5.271 -18.996 -14.072 199 HE22 GLN 30 HE22 GLN 30 5.413 -19.898 -12.604 200 H ALA 31 H ALA 31 3.514 -14.301 -14.841 201 HA ALA 31 HA ALA 31 3.603 -15.420 -17.420 202 HB1 ALA 31 HB1 ALA 31 1.601 -13.480 -16.263 203 HB2 ALA 31 HB2 ALA 31 1.536 -15.237 -16.123 204 HB3 ALA 31 HB3 ALA 31 1.368 -14.473 -17.702 205 H CYS 32 H CYS 32 3.648 -12.047 -16.321 206 HA CYS 32 HA CYS 32 3.793 -10.895 -18.916 207 HB2 CYS 32 HB2 CYS 32 4.480 -9.813 -16.174 208 HB3 CYS 32 HB3 CYS 32 4.739 -8.865 -17.630 209 H ALA 33 H ALA 33 6.140 -12.080 -16.633 210 HA ALA 33 HA ALA 33 8.477 -10.940 -17.619 211 HB1 ALA 33 HB1 ALA 33 8.129 -13.648 -16.342 212 HB2 ALA 33 HB2 ALA 33 8.354 -12.120 -15.490 213 HB3 ALA 33 HB3 ALA 33 9.647 -12.767 -16.500 214 H GLU 34 H GLU 34 6.850 -13.902 -18.587 215 HA GLU 34 HA GLU 34 8.869 -14.381 -20.647 216 HB2 GLU 34 HB2 GLU 34 6.896 -15.978 -19.170 217 HB3 GLU 34 HB3 GLU 34 7.172 -16.460 -20.846 218 HG2 GLU 34 HG2 GLU 34 9.406 -16.116 -18.864 219 HG3 GLU 34 HG3 GLU 34 8.567 -17.646 -19.116 220 H GLN 35 H GLN 35 6.538 -12.329 -20.669 221 HA GLN 35 HA GLN 35 5.161 -11.382 -22.213 222 HB2 GLN 35 HB2 GLN 35 6.659 -13.218 -24.091 223 HB3 GLN 35 HB3 GLN 35 5.541 -11.969 -24.621 224 HG2 GLN 35 HG2 GLN 35 8.084 -11.533 -23.072 225 HG3 GLN 35 HG3 GLN 35 7.841 -11.219 -24.790 226 HE21 GLN 35 HE21 GLN 35 8.614 -9.397 -22.659 227 HE22 GLN 35 HE22 GLN 35 7.425 -8.139 -22.651 228 H HIS 36 H HIS 36 4.274 -13.645 -20.732 229 HA HIS 36 HA HIS 36 2.547 -15.095 -20.536 230 HB2 HIS 36 HB2 HIS 36 1.347 -13.638 -22.904 231 HB3 HIS 36 HB3 HIS 36 0.482 -14.576 -21.695 232 HD1 HIS 36 HD1 HIS 36 0.094 -13.450 -19.379 233 HD2 HIS 36 HD2 HIS 36 2.047 -11.054 -22.153 234 HE1 HIS 36 HE1 HIS 36 0.024 -11.110 -18.432 235 HA PRO 37 HA PRO 37 4.395 -17.582 -24.039 236 HB2 PRO 37 HB2 PRO 37 5.052 -19.709 -22.421 237 HB3 PRO 37 HB3 PRO 37 6.135 -18.360 -22.774 238 HG2 PRO 37 HG2 PRO 37 4.404 -18.829 -20.385 239 HG3 PRO 37 HG3 PRO 37 6.060 -18.204 -20.458 240 HD2 PRO 37 HD2 PRO 37 3.944 -16.580 -20.099 241 HD3 PRO 37 HD3 PRO 37 5.353 -16.063 -21.044 242 H ASN 38 H ASN 38 2.396 -18.740 -21.332 243 HA ASN 38 HA ASN 38 1.115 -20.717 -23.057 244 HB2 ASN 38 HB2 ASN 38 0.871 -20.076 -20.120 245 HB3 ASN 38 HB3 ASN 38 -0.239 -21.174 -20.924 246 HD21 ASN 38 HD21 ASN 38 3.135 -20.988 -21.799 247 HD22 ASN 38 HD22 ASN 38 3.591 -22.513 -21.140 248 H GLY 39 H GLY 39 0.790 -17.533 -22.773 249 HA2 GLY 39 HA2 GLY 39 -0.913 -16.162 -23.561 250 HA3 GLY 39 HA3 GLY 39 -1.980 -17.560 -23.606 251 H GLU 40 H GLU 40 -0.726 -17.795 -20.680 252 HA GLU 40 HA GLU 40 -3.044 -16.910 -19.349 253 HB2 GLU 40 HB2 GLU 40 -1.733 -17.478 -17.260 254 HB3 GLU 40 HB3 GLU 40 -1.877 -18.777 -18.427 255 HG2 GLU 40 HG2 GLU 40 0.430 -18.154 -19.243 256 HG3 GLU 40 HG3 GLU 40 0.541 -17.075 -17.856 257 HA PRO 41 HA PRO 41 -1.819 -12.605 -18.949 258 HB2 PRO 41 HB2 PRO 41 -4.065 -11.739 -17.731 259 HB3 PRO 41 HB3 PRO 41 -4.021 -12.128 -19.454 260 HG2 PRO 41 HG2 PRO 41 -5.019 -13.786 -17.167 261 HG3 PRO 41 HG3 PRO 41 -5.754 -13.521 -18.758 262 HD2 PRO 41 HD2 PRO 41 -4.330 -15.751 -18.137 263 HD3 PRO 41 HD3 PRO 41 -4.402 -15.080 -19.780 264 H CYS 42 H CYS 42 -2.106 -10.944 -16.967 265 HA CYS 42 HA CYS 42 -0.735 -12.230 -14.787 266 HB2 CYS 42 HB2 CYS 42 -0.218 -9.989 -14.001 267 HB3 CYS 42 HB3 CYS 42 0.070 -10.081 -15.735 268 HA PRO 43 HA PRO 43 -4.035 -12.673 -11.898 269 HB2 PRO 43 HB2 PRO 43 -2.565 -11.451 -9.702 270 HB3 PRO 43 HB3 PRO 43 -2.991 -13.141 -9.960 271 HG2 PRO 43 HG2 PRO 43 -0.467 -12.136 -10.158 272 HG3 PRO 43 HG3 PRO 43 -1.005 -13.607 -10.988 273 HD2 PRO 43 HD2 PRO 43 -0.519 -10.871 -12.021 274 HD3 PRO 43 HD3 PRO 43 -0.338 -12.436 -12.833 275 H ALA 44 H ALA 44 -3.966 -9.968 -13.197 276 HA ALA 44 HA ALA 44 -5.531 -8.503 -11.168 277 HB1 ALA 44 HB1 ALA 44 -3.979 -7.358 -13.491 278 HB2 ALA 44 HB2 ALA 44 -3.488 -7.301 -11.798 279 HB3 ALA 44 HB3 ALA 44 -4.932 -6.438 -12.327 280 HA PRO 45 HA PRO 45 -8.727 -9.645 -14.097 281 HB2 PRO 45 HB2 PRO 45 -10.821 -8.751 -12.615 282 HB3 PRO 45 HB3 PRO 45 -10.006 -10.288 -12.298 283 HG2 PRO 45 HG2 PRO 45 -9.643 -7.643 -10.946 284 HG3 PRO 45 HG3 PRO 45 -9.751 -9.262 -10.228 285 HD2 PRO 45 HD2 PRO 45 -7.421 -7.976 -10.594 286 HD3 PRO 45 HD3 PRO 45 -7.564 -9.741 -10.694 287 H ASP 46 H ASP 46 -8.146 -6.502 -12.721 288 HA ASP 46 HA ASP 46 -9.988 -5.215 -14.570 289 HB2 ASP 46 HB2 ASP 46 -8.201 -4.124 -12.411 290 HB3 ASP 46 HB3 ASP 46 -9.076 -3.081 -13.525 291 H CYS 47 H CYS 47 -6.803 -6.228 -14.622 292 HA CYS 47 HA CYS 47 -5.924 -4.141 -16.428 293 HB2 CYS 47 HB2 CYS 47 -4.434 -5.212 -14.673 294 HB3 CYS 47 HB3 CYS 47 -4.438 -6.655 -15.682 295 H HIS 48 H HIS 48 -5.249 -4.587 -18.597 296 HA HIS 48 HA HIS 48 -6.311 -7.060 -19.757 297 HB2 HIS 48 HB2 HIS 48 -7.043 -4.274 -20.692 298 HB3 HIS 48 HB3 HIS 48 -7.419 -5.753 -21.567 299 HD1 HIS 48 HD1 HIS 48 -8.644 -3.557 -18.893 300 HD2 HIS 48 HD2 HIS 48 -9.328 -7.445 -20.188 301 HE1 HIS 48 HE1 HIS 48 -10.795 -4.260 -17.807 302 HE2 HIS 48 HE2 HIS 48 -11.298 -6.515 -18.799 303 H CYS 49 H CYS 49 -3.613 -6.354 -19.318 304 HA CYS 49 HA CYS 49 -2.494 -5.251 -21.707 305 HB2 CYS 49 HB2 CYS 49 -0.349 -5.816 -20.749 306 HB3 CYS 49 HB3 CYS 49 -1.376 -5.108 -19.505 307 H GLU 50 H GLU 50 -1.293 -6.349 -23.286 308 HA GLU 50 HA GLU 50 -0.800 -7.983 -24.786 309 HB2 GLU 50 HB2 GLU 50 0.047 -9.015 -22.513 310 HB3 GLU 50 HB3 GLU 50 -1.305 -10.114 -22.734 311 HG2 GLU 50 HG2 GLU 50 0.579 -11.208 -23.616 312 HG3 GLU 50 HG3 GLU 50 -0.348 -10.646 -25.004 313 H ARG 51 H ARG 51 -3.728 -7.448 -23.623 314 HA ARG 51 HA ARG 51 -5.151 -9.674 -24.873 315 HB2 ARG 51 HB2 ARG 51 -6.073 -7.282 -23.268 316 HB3 ARG 51 HB3 ARG 51 -7.183 -8.411 -24.026 317 HG2 ARG 51 HG2 ARG 51 -5.100 -9.475 -22.185 318 HG3 ARG 51 HG3 ARG 51 -6.502 -8.647 -21.505 319 HD2 ARG 51 HD2 ARG 51 -6.650 -10.960 -23.438 320 HD3 ARG 51 HD3 ARG 51 -6.780 -11.117 -21.686 321 HE ARG 51 HE ARG 51 -8.646 -9.282 -22.937 322 HH11 ARG 51 HH11 ARG 51 -8.090 -12.557 -21.816 323 HH12 ARG 51 HH12 ARG 51 -9.765 -12.910 -21.579 324 HH21 ARG 51 HH21 ARG 51 -10.888 -9.755 -22.662 325 HH22 ARG 51 HH22 ARG 51 -11.364 -11.311 -22.081 326 H SER 52 H SER 52 -4.540 -6.249 -25.239 327 HA SER 52 HA SER 52 -6.003 -6.281 -27.783 328 HB2 SER 52 HB2 SER 52 -5.217 -3.896 -26.099 329 HB3 SER 52 HB3 SER 52 -6.229 -3.878 -27.543 330 HG SER 52 HG SER 52 -7.576 -5.443 -26.243 Start of MODEL 9 1 HA ASN 1 HA ASN 1 10.221 7.058 -10.692 2 HB2 ASN 1 HB2 ASN 1 12.234 4.798 -10.596 3 HB3 ASN 1 HB3 ASN 1 11.420 5.331 -12.061 4 HD21 ASN 1 HD21 ASN 1 12.032 7.242 -13.023 5 HD22 ASN 1 HD22 ASN 1 13.459 8.101 -12.557 6 H GLU 2 H GLU 2 9.833 4.758 -8.316 7 HA GLU 2 HA GLU 2 8.249 3.215 -7.852 8 HB2 GLU 2 HB2 GLU 2 7.023 4.553 -10.198 9 HB3 GLU 2 HB3 GLU 2 6.393 2.969 -9.767 10 HG2 GLU 2 HG2 GLU 2 6.554 5.369 -7.968 11 HG3 GLU 2 HG3 GLU 2 5.099 4.726 -8.735 12 H LEU 3 H LEU 3 7.888 1.049 -8.155 13 HA LEU 3 HA LEU 3 9.597 -0.187 -10.128 14 HB2 LEU 3 HB2 LEU 3 9.091 -0.908 -7.627 15 HB3 LEU 3 HB3 LEU 3 7.712 -1.705 -8.354 16 HG LEU 3 HG LEU 3 10.603 -2.242 -9.062 17 HD11 LEU 3 HD11 LEU 3 10.093 -3.003 -6.824 18 HD12 LEU 3 HD12 LEU 3 10.264 -4.378 -7.915 19 HD13 LEU 3 HD13 LEU 3 8.661 -3.845 -7.412 20 HD21 LEU 3 HD21 LEU 3 8.063 -3.622 -9.930 21 HD22 LEU 3 HD22 LEU 3 9.697 -4.195 -10.260 22 HD23 LEU 3 HD23 LEU 3 9.141 -2.669 -10.950 23 H ARG 4 H ARG 4 8.864 -0.468 -12.101 24 HA ARG 4 HA ARG 4 5.978 -0.819 -12.467 25 HB2 ARG 4 HB2 ARG 4 6.256 0.220 -14.686 26 HB3 ARG 4 HB3 ARG 4 6.707 1.301 -13.376 27 HG2 ARG 4 HG2 ARG 4 9.080 0.769 -13.800 28 HG3 ARG 4 HG3 ARG 4 8.585 -0.226 -15.172 29 HD2 ARG 4 HD2 ARG 4 8.232 2.746 -14.822 30 HD3 ARG 4 HD3 ARG 4 9.242 1.918 -16.008 31 HE ARG 4 HE ARG 4 6.361 2.289 -16.097 32 HH11 ARG 4 HH11 ARG 4 9.166 0.673 -17.474 33 HH12 ARG 4 HH12 ARG 4 8.361 0.261 -18.946 34 HH21 ARG 4 HH21 ARG 4 5.301 1.737 -18.075 35 HH22 ARG 4 HH22 ARG 4 6.175 0.870 -19.291 36 H CYS 5 H CYS 5 5.264 -2.281 -13.977 37 HA CYS 5 HA CYS 5 6.862 -4.620 -14.255 38 HB2 CYS 5 HB2 CYS 5 4.350 -4.537 -13.922 39 HB3 CYS 5 HB3 CYS 5 4.214 -3.977 -15.581 40 H GLY 6 H GLY 6 7.855 -5.428 -16.116 41 HA2 GLY 6 HA2 GLY 6 8.826 -3.661 -18.036 42 HA3 GLY 6 HA3 GLY 6 8.841 -5.408 -18.180 43 H CYS 7 H CYS 7 5.730 -5.164 -17.953 44 HA CYS 7 HA CYS 7 5.214 -5.236 -20.734 45 HB2 CYS 7 HB2 CYS 7 3.783 -5.757 -18.307 46 HB3 CYS 7 HB3 CYS 7 2.797 -4.720 -19.333 47 HA PRO 8 HA PRO 8 4.760 -0.967 -21.683 48 HB2 PRO 8 HB2 PRO 8 2.847 -0.936 -23.598 49 HB3 PRO 8 HB3 PRO 8 4.468 -1.586 -23.871 50 HG2 PRO 8 HG2 PRO 8 1.922 -3.032 -23.265 51 HG3 PRO 8 HG3 PRO 8 3.190 -3.442 -24.435 52 HD2 PRO 8 HD2 PRO 8 2.976 -4.638 -22.004 53 HD3 PRO 8 HD3 PRO 8 4.528 -4.407 -22.832 54 H ASP 9 H ASP 9 1.677 -2.554 -20.964 55 HA ASP 9 HA ASP 9 0.717 0.008 -19.853 56 HB2 ASP 9 HB2 ASP 9 -0.819 -2.005 -21.485 57 HB3 ASP 9 HB3 ASP 9 -1.606 -0.786 -20.494 58 H CYS 10 H CYS 10 2.054 -2.117 -18.504 59 HA CYS 10 HA CYS 10 -0.137 -3.057 -16.805 60 HB2 CYS 10 HB2 CYS 10 0.915 -4.849 -18.161 61 HB3 CYS 10 HB3 CYS 10 2.443 -4.497 -17.360 62 H HIS 11 H HIS 11 0.128 -2.799 -14.628 63 HA HIS 11 HA HIS 11 2.657 -2.213 -13.428 64 HB2 HIS 11 HB2 HIS 11 2.036 -0.001 -14.440 65 HB3 HIS 11 HB3 HIS 11 0.592 0.003 -13.436 66 HD2 HIS 11 HD2 HIS 11 1.113 0.363 -10.641 67 HE1 HIS 11 HE1 HIS 11 5.082 1.722 -11.233 68 HE2 HIS 11 HE2 HIS 11 3.233 1.376 -9.566 69 H CYS 12 H CYS 12 1.975 -4.065 -12.266 70 HA CYS 12 HA CYS 12 -0.127 -3.546 -10.272 71 HB2 CYS 12 HB2 CYS 12 1.095 -6.198 -11.101 72 HB3 CYS 12 HB3 CYS 12 -0.263 -5.978 -10.007 73 H LYS 13 H LYS 13 0.434 -4.686 -8.051 74 HA LYS 13 HA LYS 13 2.868 -3.532 -7.131 75 HB2 LYS 13 HB2 LYS 13 0.683 -5.066 -5.866 76 HB3 LYS 13 HB3 LYS 13 2.252 -5.253 -5.103 77 HG2 LYS 13 HG2 LYS 13 2.180 -2.572 -5.316 78 HG3 LYS 13 HG3 LYS 13 0.452 -2.912 -5.199 79 HD2 LYS 13 HD2 LYS 13 0.933 -4.275 -3.146 80 HD3 LYS 13 HD3 LYS 13 2.608 -3.733 -3.237 81 HE2 LYS 13 HE2 LYS 13 1.441 -2.368 -1.654 82 HE3 LYS 13 HE3 LYS 13 1.795 -1.396 -3.081 83 HZ1 LYS 13 HZ1 LYS 13 -0.473 -1.088 -2.231 84 HZ2 LYS 13 HZ2 LYS 13 -0.813 -2.712 -2.555 85 HZ3 LYS 13 HZ3 LYS 13 -0.451 -1.654 -3.821 86 H VAL 14 H VAL 14 4.742 -4.277 -7.800 87 HA VAL 14 HA VAL 14 5.203 -7.151 -7.953 88 HB VAL 14 HB VAL 14 7.143 -4.929 -8.625 89 HG11 VAL 14 HG11 VAL 14 8.163 -7.105 -8.314 90 HG12 VAL 14 HG12 VAL 14 8.212 -6.638 -10.015 91 HG13 VAL 14 HG13 VAL 14 7.027 -7.819 -9.460 92 HG21 VAL 14 HG21 VAL 14 5.139 -4.623 -9.979 93 HG22 VAL 14 HG22 VAL 14 5.203 -6.312 -10.479 94 HG23 VAL 14 HG23 VAL 14 6.475 -5.198 -10.976 95 H ASP 15 H ASP 15 5.829 -8.096 -6.113 96 HA ASP 15 HA ASP 15 7.004 -6.533 -3.968 97 HB2 ASP 15 HB2 ASP 15 5.240 -8.438 -3.709 98 HB3 ASP 15 HB3 ASP 15 6.604 -9.494 -3.955 99 HA PRO 16 HA PRO 16 11.200 -7.558 -5.072 100 HB2 PRO 16 HB2 PRO 16 12.333 -7.156 -2.601 101 HB3 PRO 16 HB3 PRO 16 11.931 -5.859 -3.729 102 HG2 PRO 16 HG2 PRO 16 10.375 -6.863 -1.379 103 HG3 PRO 16 HG3 PRO 16 10.685 -5.192 -1.884 104 HD2 PRO 16 HD2 PRO 16 8.350 -6.387 -2.390 105 HD3 PRO 16 HD3 PRO 16 9.086 -5.272 -3.562 106 H GLU 17 H GLU 17 9.465 -9.167 -2.468 107 HA GLU 17 HA GLU 17 11.469 -11.197 -2.044 108 HB2 GLU 17 HB2 GLU 17 10.012 -10.646 -0.213 109 HB3 GLU 17 HB3 GLU 17 8.585 -10.937 -1.194 110 HG2 GLU 17 HG2 GLU 17 9.378 -13.347 -1.349 111 HG3 GLU 17 HG3 GLU 17 10.511 -12.933 -0.061 112 H ARG 18 H ARG 18 8.554 -10.813 -3.923 113 HA ARG 18 HA ARG 18 8.974 -13.492 -5.072 114 HB2 ARG 18 HB2 ARG 18 6.435 -13.328 -5.528 115 HB3 ARG 18 HB3 ARG 18 6.973 -13.699 -3.895 116 HG2 ARG 18 HG2 ARG 18 6.737 -11.286 -3.367 117 HG3 ARG 18 HG3 ARG 18 5.978 -11.083 -4.952 118 HD2 ARG 18 HD2 ARG 18 5.030 -12.978 -2.822 119 HD3 ARG 18 HD3 ARG 18 4.369 -11.367 -3.082 120 HE ARG 18 HE ARG 18 4.043 -12.392 -5.492 121 HH11 ARG 18 HH11 ARG 18 3.477 -13.913 -2.383 122 HH12 ARG 18 HH12 ARG 18 2.153 -14.873 -2.949 123 HH21 ARG 18 HH21 ARG 18 2.305 -13.672 -6.249 124 HH22 ARG 18 HH22 ARG 18 1.483 -14.740 -5.164 125 H VAL 19 H VAL 19 10.155 -11.095 -5.952 126 HA VAL 19 HA VAL 19 8.717 -10.132 -8.223 127 HB VAL 19 HB VAL 19 10.233 -8.624 -7.024 128 HG11 VAL 19 HG11 VAL 19 12.667 -8.885 -7.162 129 HG12 VAL 19 HG12 VAL 19 12.448 -10.452 -7.942 130 HG13 VAL 19 HG13 VAL 19 11.909 -10.211 -6.279 131 HG21 VAL 19 HG21 VAL 19 9.817 -8.191 -9.377 132 HG22 VAL 19 HG22 VAL 19 11.179 -9.218 -9.823 133 HG23 VAL 19 HG23 VAL 19 11.458 -7.716 -8.941 134 H PHE 20 H PHE 20 8.819 -10.849 -10.230 135 HA PHE 20 HA PHE 20 10.523 -13.135 -10.752 136 HB2 PHE 20 HB2 PHE 20 8.243 -11.899 -12.305 137 HB3 PHE 20 HB3 PHE 20 9.195 -13.258 -12.892 138 HD1 PHE 20 HD1 PHE 20 7.205 -12.226 -9.899 139 HD2 PHE 20 HD2 PHE 20 8.459 -15.392 -12.455 140 HE1 PHE 20 HE1 PHE 20 5.732 -13.782 -8.694 141 HE2 PHE 20 HE2 PHE 20 6.992 -16.952 -11.245 142 HZ PHE 20 HZ PHE 20 5.627 -16.147 -9.364 143 H ASN 21 H ASN 21 12.487 -12.655 -11.343 144 HA ASN 21 HA ASN 21 13.020 -10.214 -12.849 145 HB2 ASN 21 HB2 ASN 21 14.382 -10.835 -10.819 146 HB3 ASN 21 HB3 ASN 21 14.997 -12.209 -11.730 147 HD21 ASN 21 HD21 ASN 21 16.251 -11.775 -13.643 148 HD22 ASN 21 HD22 ASN 21 17.144 -10.295 -13.751 149 H HIS 22 H HIS 22 12.626 -10.536 -14.937 150 HA HIS 22 HA HIS 22 13.985 -12.803 -16.198 151 HB2 HIS 22 HB2 HIS 22 11.469 -13.156 -15.881 152 HB3 HIS 22 HB3 HIS 22 11.242 -11.850 -17.029 153 HD2 HIS 22 HD2 HIS 22 11.888 -12.468 -19.686 154 HE1 HIS 22 HE1 HIS 22 12.271 -16.637 -19.032 155 HE2 HIS 22 HE2 HIS 22 12.182 -14.808 -20.753 156 H ASP 23 H ASP 23 15.130 -12.252 -17.953 157 HA ASP 23 HA ASP 23 16.153 -10.981 -19.537 158 HB2 ASP 23 HB2 ASP 23 13.881 -10.925 -20.563 159 HB3 ASP 23 HB3 ASP 23 13.505 -9.485 -19.628 160 H GLY 24 H GLY 24 15.988 -10.233 -16.629 161 HA2 GLY 24 HA2 GLY 24 17.233 -8.699 -15.413 162 HA3 GLY 24 HA3 GLY 24 17.407 -7.725 -16.865 163 H GLU 25 H GLU 25 14.207 -8.423 -16.666 164 HA GLU 25 HA GLU 25 13.696 -5.863 -15.339 165 HB2 GLU 25 HB2 GLU 25 12.092 -7.352 -17.400 166 HB3 GLU 25 HB3 GLU 25 11.516 -5.915 -16.567 167 HG2 GLU 25 HG2 GLU 25 13.566 -4.766 -17.414 168 HG3 GLU 25 HG3 GLU 25 13.815 -6.168 -18.459 169 H ALA 26 H ALA 26 11.652 -5.639 -14.242 170 HA ALA 26 HA ALA 26 11.037 -8.040 -12.679 171 HB1 ALA 26 HB1 ALA 26 10.242 -6.494 -10.957 172 HB2 ALA 26 HB2 ALA 26 10.617 -5.128 -12.008 173 HB3 ALA 26 HB3 ALA 26 11.915 -6.152 -11.396 174 H TYR 27 H TYR 27 9.090 -8.914 -12.877 175 HA TYR 27 HA TYR 27 6.950 -7.311 -14.109 176 HB2 TYR 27 HB2 TYR 27 7.508 -10.260 -14.501 177 HB3 TYR 27 HB3 TYR 27 6.127 -9.393 -15.161 178 HD1 TYR 27 HD1 TYR 27 9.723 -10.028 -15.480 179 HD2 TYR 27 HD2 TYR 27 6.421 -7.815 -17.017 180 HE1 TYR 27 HE1 TYR 27 11.027 -9.480 -17.484 181 HE2 TYR 27 HE2 TYR 27 7.718 -7.267 -19.032 182 HH TYR 27 HH TYR 27 10.382 -7.089 -19.531 183 H CYS 28 H CYS 28 4.750 -7.949 -13.468 184 HA CYS 28 HA CYS 28 4.611 -8.288 -10.661 185 HB2 CYS 28 HB2 CYS 28 2.159 -8.273 -10.952 186 HB3 CYS 28 HB3 CYS 28 2.944 -6.958 -11.815 187 H SER 29 H SER 29 4.420 -10.534 -13.293 188 HA SER 29 HA SER 29 4.582 -12.705 -11.434 189 HB2 SER 29 HB2 SER 29 2.124 -12.254 -11.592 190 HB3 SER 29 HB3 SER 29 2.215 -12.641 -13.311 191 HG SER 29 HG SER 29 2.316 -14.304 -11.102 192 H GLN 30 H GLN 30 4.335 -14.854 -12.847 193 HA GLN 30 HA GLN 30 6.565 -14.745 -14.596 194 HB2 GLN 30 HB2 GLN 30 6.091 -17.203 -14.934 195 HB3 GLN 30 HB3 GLN 30 6.372 -16.696 -13.278 196 HG2 GLN 30 HG2 GLN 30 3.910 -16.677 -12.926 197 HG3 GLN 30 HG3 GLN 30 3.719 -17.334 -14.551 198 HE21 GLN 30 HE21 GLN 30 4.693 -17.989 -11.293 199 HE22 GLN 30 HE22 GLN 30 4.828 -19.707 -11.463 200 H ALA 31 H ALA 31 3.098 -14.807 -15.143 201 HA ALA 31 HA ALA 31 3.123 -15.551 -17.846 202 HB1 ALA 31 HB1 ALA 31 1.192 -13.705 -16.437 203 HB2 ALA 31 HB2 ALA 31 1.044 -15.459 -16.596 204 HB3 ALA 31 HB3 ALA 31 0.934 -14.434 -18.021 205 H CYS 32 H CYS 32 3.570 -12.389 -16.343 206 HA CYS 32 HA CYS 32 3.767 -11.040 -18.883 207 HB2 CYS 32 HB2 CYS 32 4.127 -10.184 -16.031 208 HB3 CYS 32 HB3 CYS 32 4.759 -9.172 -17.322 209 H ALA 33 H ALA 33 5.954 -12.276 -16.438 210 HA ALA 33 HA ALA 33 8.336 -11.169 -17.337 211 HB1 ALA 33 HB1 ALA 33 8.147 -12.321 -15.201 212 HB2 ALA 33 HB2 ALA 33 9.460 -12.986 -16.181 213 HB3 ALA 33 HB3 ALA 33 7.932 -13.858 -16.046 214 H GLU 34 H GLU 34 6.722 -14.130 -18.344 215 HA GLU 34 HA GLU 34 8.897 -14.648 -20.197 216 HB2 GLU 34 HB2 GLU 34 6.531 -16.232 -19.321 217 HB3 GLU 34 HB3 GLU 34 7.618 -16.765 -20.613 218 HG2 GLU 34 HG2 GLU 34 9.492 -16.546 -18.971 219 HG3 GLU 34 HG3 GLU 34 8.269 -16.291 -17.726 220 H GLN 35 H GLN 35 6.654 -12.550 -20.460 221 HA GLN 35 HA GLN 35 5.714 -11.455 -22.215 222 HB2 GLN 35 HB2 GLN 35 6.985 -13.475 -24.059 223 HB3 GLN 35 HB3 GLN 35 6.529 -11.819 -24.423 224 HG2 GLN 35 HG2 GLN 35 8.827 -12.779 -22.743 225 HG3 GLN 35 HG3 GLN 35 8.886 -11.866 -24.249 226 HE21 GLN 35 HE21 GLN 35 8.575 -11.697 -20.829 227 HE22 GLN 35 HE22 GLN 35 8.516 -9.976 -20.718 228 H HIS 36 H HIS 36 4.379 -13.647 -20.914 229 HA HIS 36 HA HIS 36 2.511 -14.915 -21.010 230 HB2 HIS 36 HB2 HIS 36 1.818 -13.330 -23.497 231 HB3 HIS 36 HB3 HIS 36 0.697 -14.192 -22.451 232 HD1 HIS 36 HD1 HIS 36 -0.077 -12.994 -20.311 233 HD2 HIS 36 HD2 HIS 36 2.791 -10.903 -22.469 234 HE1 HIS 36 HE1 HIS 36 0.006 -10.695 -19.280 235 HA PRO 37 HA PRO 37 4.407 -17.544 -24.373 236 HB2 PRO 37 HB2 PRO 37 5.407 -19.484 -22.823 237 HB3 PRO 37 HB3 PRO 37 6.264 -17.953 -23.033 238 HG2 PRO 37 HG2 PRO 37 4.484 -18.822 -20.782 239 HG3 PRO 37 HG3 PRO 37 6.084 -18.061 -20.701 240 HD2 PRO 37 HD2 PRO 37 3.782 -16.655 -20.408 241 HD3 PRO 37 HD3 PRO 37 5.242 -15.954 -21.138 242 H ASN 38 H ASN 38 2.312 -18.097 -21.697 243 HA ASN 38 HA ASN 38 1.210 -20.541 -22.862 244 HB2 ASN 38 HB2 ASN 38 0.871 -19.162 -20.206 245 HB3 ASN 38 HB3 ASN 38 -0.244 -20.415 -20.728 246 HD21 ASN 38 HD21 ASN 38 3.104 -20.613 -21.638 247 HD22 ASN 38 HD22 ASN 38 3.525 -21.888 -20.555 248 H GLY 39 H GLY 39 0.856 -17.327 -23.252 249 HA2 GLY 39 HA2 GLY 39 -0.736 -16.113 -24.382 250 HA3 GLY 39 HA3 GLY 39 -1.693 -17.581 -24.519 251 H GLU 40 H GLU 40 -0.889 -17.086 -21.318 252 HA GLU 40 HA GLU 40 -3.582 -16.185 -20.797 253 HB2 GLU 40 HB2 GLU 40 -3.092 -16.773 -18.427 254 HB3 GLU 40 HB3 GLU 40 -2.923 -18.112 -19.545 255 HG2 GLU 40 HG2 GLU 40 -0.499 -17.821 -19.510 256 HG3 GLU 40 HG3 GLU 40 -0.686 -16.496 -18.362 257 HA PRO 41 HA PRO 41 -2.462 -12.014 -19.753 258 HB2 PRO 41 HB2 PRO 41 -4.712 -11.952 -17.879 259 HB3 PRO 41 HB3 PRO 41 -4.522 -11.098 -19.412 260 HG2 PRO 41 HG2 PRO 41 -6.292 -13.123 -19.076 261 HG3 PRO 41 HG3 PRO 41 -5.500 -12.786 -20.625 262 HD2 PRO 41 HD2 PRO 41 -4.876 -14.890 -18.590 263 HD3 PRO 41 HD3 PRO 41 -4.889 -14.993 -20.363 264 H CYS 42 H CYS 42 -2.564 -10.598 -17.513 265 HA CYS 42 HA CYS 42 -0.871 -12.119 -15.735 266 HB2 CYS 42 HB2 CYS 42 -0.099 -10.057 -14.839 267 HB3 CYS 42 HB3 CYS 42 -0.274 -9.785 -16.569 268 HA PRO 43 HA PRO 43 -3.676 -13.017 -12.489 269 HB2 PRO 43 HB2 PRO 43 -1.875 -11.694 -10.541 270 HB3 PRO 43 HB3 PRO 43 -2.460 -13.361 -10.592 271 HG2 PRO 43 HG2 PRO 43 0.039 -12.813 -11.271 272 HG3 PRO 43 HG3 PRO 43 -0.903 -13.996 -12.198 273 HD2 PRO 43 HD2 PRO 43 -0.264 -11.144 -12.867 274 HD3 PRO 43 HD3 PRO 43 -0.231 -12.580 -13.912 275 H ALA 44 H ALA 44 -3.164 -9.711 -13.098 276 HA ALA 44 HA ALA 44 -4.783 -8.771 -10.872 277 HB1 ALA 44 HB1 ALA 44 -3.640 -7.251 -13.208 278 HB2 ALA 44 HB2 ALA 44 -2.880 -7.435 -11.627 279 HB3 ALA 44 HB3 ALA 44 -4.397 -6.547 -11.778 280 HA PRO 45 HA PRO 45 -8.495 -9.148 -13.382 281 HB2 PRO 45 HB2 PRO 45 -9.982 -7.963 -11.182 282 HB3 PRO 45 HB3 PRO 45 -9.996 -9.639 -11.737 283 HG2 PRO 45 HG2 PRO 45 -8.946 -8.896 -9.337 284 HG3 PRO 45 HG3 PRO 45 -8.341 -10.279 -10.269 285 HD2 PRO 45 HD2 PRO 45 -7.244 -7.496 -10.090 286 HD3 PRO 45 HD3 PRO 45 -6.394 -9.058 -10.008 287 H ASP 46 H ASP 46 -7.118 -6.360 -12.049 288 HA ASP 46 HA ASP 46 -9.054 -4.489 -13.149 289 HB2 ASP 46 HB2 ASP 46 -6.431 -4.061 -11.710 290 HB3 ASP 46 HB3 ASP 46 -7.480 -2.763 -12.261 291 H CYS 47 H CYS 47 -6.077 -5.966 -14.024 292 HA CYS 47 HA CYS 47 -5.397 -3.880 -15.904 293 HB2 CYS 47 HB2 CYS 47 -3.730 -5.168 -14.470 294 HB3 CYS 47 HB3 CYS 47 -3.978 -6.504 -15.591 295 H HIS 48 H HIS 48 -4.950 -4.357 -18.150 296 HA HIS 48 HA HIS 48 -6.434 -6.622 -19.274 297 HB2 HIS 48 HB2 HIS 48 -6.882 -3.721 -20.020 298 HB3 HIS 48 HB3 HIS 48 -7.491 -5.088 -20.944 299 HD1 HIS 48 HD1 HIS 48 -8.296 -2.901 -18.123 300 HD2 HIS 48 HD2 HIS 48 -9.466 -6.638 -19.502 301 HE1 HIS 48 HE1 HIS 48 -10.441 -3.420 -16.926 302 HE2 HIS 48 HE2 HIS 48 -11.253 -5.546 -18.001 303 H CYS 49 H CYS 49 -3.596 -6.061 -19.027 304 HA CYS 49 HA CYS 49 -2.636 -5.011 -21.493 305 HB2 CYS 49 HB2 CYS 49 -0.447 -5.530 -20.680 306 HB3 CYS 49 HB3 CYS 49 -1.393 -5.053 -19.285 307 H GLU 50 H GLU 50 -1.563 -6.134 -23.174 308 HA GLU 50 HA GLU 50 -1.255 -7.696 -24.762 309 HB2 GLU 50 HB2 GLU 50 -0.469 -9.031 -22.588 310 HB3 GLU 50 HB3 GLU 50 -1.902 -9.979 -22.923 311 HG2 GLU 50 HG2 GLU 50 -0.194 -11.175 -23.976 312 HG3 GLU 50 HG3 GLU 50 -0.939 -10.278 -25.292 313 H ARG 51 H ARG 51 -4.122 -6.793 -23.763 314 HA ARG 51 HA ARG 51 -5.879 -8.830 -24.781 315 HB2 ARG 51 HB2 ARG 51 -6.256 -5.956 -24.014 316 HB3 ARG 51 HB3 ARG 51 -7.417 -6.632 -25.139 317 HG2 ARG 51 HG2 ARG 51 -7.613 -8.524 -23.317 318 HG3 ARG 51 HG3 ARG 51 -6.961 -7.274 -22.257 319 HD2 ARG 51 HD2 ARG 51 -9.359 -7.124 -22.099 320 HD3 ARG 51 HD3 ARG 51 -8.833 -5.754 -23.070 321 HE ARG 51 HE ARG 51 -9.629 -6.891 -25.024 322 HH11 ARG 51 HH11 ARG 51 -10.550 -8.382 -21.978 323 HH12 ARG 51 HH12 ARG 51 -11.902 -9.232 -22.638 324 HH21 ARG 51 HH21 ARG 51 -11.434 -8.041 -25.914 325 HH22 ARG 51 HH22 ARG 51 -12.403 -9.034 -24.881 326 H SER 52 H SER 52 -4.014 -6.279 -26.140 327 HA SER 52 HA SER 52 -5.298 -6.538 -28.748 328 HB2 SER 52 HB2 SER 52 -4.705 -4.285 -27.777 329 HB3 SER 52 HB3 SER 52 -3.009 -4.727 -27.957 330 HG SER 52 HG SER 52 -4.921 -4.098 -29.885 Start of MODEL 10 1 HA ASN 1 HA ASN 1 11.196 2.989 -4.728 2 HB2 ASN 1 HB2 ASN 1 12.507 0.916 -6.477 3 HB3 ASN 1 HB3 ASN 1 12.091 2.504 -7.104 4 HD21 ASN 1 HD21 ASN 1 14.221 3.026 -7.481 5 HD22 ASN 1 HD22 ASN 1 15.321 3.405 -6.206 6 H GLU 2 H GLU 2 10.300 3.598 -6.994 7 HA GLU 2 HA GLU 2 7.646 2.530 -7.192 8 HB2 GLU 2 HB2 GLU 2 8.151 4.932 -7.561 9 HB3 GLU 2 HB3 GLU 2 9.099 4.501 -8.974 10 HG2 GLU 2 HG2 GLU 2 7.071 3.592 -10.028 11 HG3 GLU 2 HG3 GLU 2 6.136 4.106 -8.623 12 H LEU 3 H LEU 3 7.916 0.396 -7.772 13 HA LEU 3 HA LEU 3 9.566 -0.315 -9.996 14 HB2 LEU 3 HB2 LEU 3 8.351 -1.675 -7.815 15 HB3 LEU 3 HB3 LEU 3 7.826 -2.444 -9.300 16 HG LEU 3 HG LEU 3 10.687 -2.045 -8.421 17 HD11 LEU 3 HD11 LEU 3 9.046 -4.549 -8.728 18 HD12 LEU 3 HD12 LEU 3 9.507 -3.799 -7.201 19 HD13 LEU 3 HD13 LEU 3 10.745 -4.463 -8.267 20 HD21 LEU 3 HD21 LEU 3 10.566 -1.827 -10.809 21 HD22 LEU 3 HD22 LEU 3 9.539 -3.253 -10.925 22 HD23 LEU 3 HD23 LEU 3 11.220 -3.417 -10.413 23 H ARG 4 H ARG 4 8.952 -1.063 -11.953 24 HA ARG 4 HA ARG 4 6.148 -0.737 -12.673 25 HB2 ARG 4 HB2 ARG 4 6.867 0.324 -14.803 26 HB3 ARG 4 HB3 ARG 4 7.262 1.289 -13.390 27 HG2 ARG 4 HG2 ARG 4 9.579 0.189 -13.537 28 HG3 ARG 4 HG3 ARG 4 9.094 -0.277 -15.169 29 HD2 ARG 4 HD2 ARG 4 10.352 1.821 -15.168 30 HD3 ARG 4 HD3 ARG 4 8.696 2.066 -15.726 31 HE ARG 4 HE ARG 4 8.202 3.189 -13.726 32 HH11 ARG 4 HH11 ARG 4 11.569 2.174 -13.860 33 HH12 ARG 4 HH12 ARG 4 12.056 3.203 -12.560 34 HH21 ARG 4 HH21 ARG 4 8.871 4.562 -11.998 35 HH22 ARG 4 HH22 ARG 4 10.532 4.552 -11.507 36 H CYS 5 H CYS 5 5.364 -2.304 -13.955 37 HA CYS 5 HA CYS 5 6.968 -4.620 -14.371 38 HB2 CYS 5 HB2 CYS 5 4.490 -4.633 -13.865 39 HB3 CYS 5 HB3 CYS 5 4.216 -4.053 -15.504 40 H GLY 6 H GLY 6 7.831 -5.375 -16.286 41 HA2 GLY 6 HA2 GLY 6 8.633 -3.489 -18.213 42 HA3 GLY 6 HA3 GLY 6 8.818 -5.227 -18.355 43 H CYS 7 H CYS 7 5.653 -5.140 -18.030 44 HA CYS 7 HA CYS 7 5.130 -5.409 -20.801 45 HB2 CYS 7 HB2 CYS 7 3.731 -5.917 -18.360 46 HB3 CYS 7 HB3 CYS 7 2.686 -5.003 -19.444 47 HA PRO 8 HA PRO 8 4.453 -1.302 -22.123 48 HB2 PRO 8 HB2 PRO 8 2.430 -1.715 -23.954 49 HB3 PRO 8 HB3 PRO 8 4.144 -1.988 -24.267 50 HG2 PRO 8 HG2 PRO 8 2.013 -3.951 -23.553 51 HG3 PRO 8 HG3 PRO 8 3.356 -4.122 -24.694 52 HD2 PRO 8 HD2 PRO 8 3.394 -5.246 -22.249 53 HD3 PRO 8 HD3 PRO 8 4.868 -4.628 -23.023 54 H ASP 9 H ASP 9 1.489 -3.101 -21.313 55 HA ASP 9 HA ASP 9 0.309 -0.552 -20.384 56 HB2 ASP 9 HB2 ASP 9 -1.131 -2.851 -21.733 57 HB3 ASP 9 HB3 ASP 9 -1.914 -1.439 -21.042 58 H CYS 10 H CYS 10 1.728 -2.032 -18.590 59 HA CYS 10 HA CYS 10 -0.412 -3.149 -16.942 60 HB2 CYS 10 HB2 CYS 10 0.578 -5.049 -18.043 61 HB3 CYS 10 HB3 CYS 10 2.186 -4.523 -17.560 62 H HIS 11 H HIS 11 -0.092 -3.034 -14.720 63 HA HIS 11 HA HIS 11 2.384 -2.446 -13.495 64 HB2 HIS 11 HB2 HIS 11 1.937 -0.169 -14.386 65 HB3 HIS 11 HB3 HIS 11 0.428 -0.136 -13.475 66 HD2 HIS 11 HD2 HIS 11 4.289 -0.242 -12.694 67 HE1 HIS 11 HE1 HIS 11 2.239 1.222 -9.289 68 HE2 HIS 11 HE2 HIS 11 4.456 0.490 -10.228 69 H CYS 12 H CYS 12 1.939 -4.040 -12.074 70 HA CYS 12 HA CYS 12 -0.296 -3.563 -10.221 71 HB2 CYS 12 HB2 CYS 12 0.938 -6.229 -10.991 72 HB3 CYS 12 HB3 CYS 12 -0.407 -5.998 -9.880 73 H LYS 13 H LYS 13 0.163 -4.321 -7.935 74 HA LYS 13 HA LYS 13 2.580 -3.285 -6.920 75 HB2 LYS 13 HB2 LYS 13 0.208 -4.553 -5.824 76 HB3 LYS 13 HB3 LYS 13 1.638 -5.126 -4.993 77 HG2 LYS 13 HG2 LYS 13 0.933 -2.198 -5.313 78 HG3 LYS 13 HG3 LYS 13 0.478 -3.170 -3.919 79 HD2 LYS 13 HD2 LYS 13 3.273 -2.408 -4.809 80 HD3 LYS 13 HD3 LYS 13 2.449 -1.915 -3.333 81 HE2 LYS 13 HE2 LYS 13 2.488 -4.229 -2.537 82 HE3 LYS 13 HE3 LYS 13 3.284 -4.733 -4.025 83 HZ1 LYS 13 HZ1 LYS 13 4.392 -2.946 -1.933 84 HZ2 LYS 13 HZ2 LYS 13 5.124 -3.210 -3.429 85 HZ3 LYS 13 HZ3 LYS 13 4.931 -4.496 -2.352 86 H VAL 14 H VAL 14 4.359 -4.180 -7.861 87 HA VAL 14 HA VAL 14 4.796 -7.042 -7.498 88 HB VAL 14 HB VAL 14 5.070 -6.410 -9.786 89 HG11 VAL 14 HG11 VAL 14 5.356 -4.020 -9.544 90 HG12 VAL 14 HG12 VAL 14 6.636 -4.687 -10.557 91 HG13 VAL 14 HG13 VAL 14 6.971 -4.260 -8.876 92 HG21 VAL 14 HG21 VAL 14 7.417 -6.977 -10.232 93 HG22 VAL 14 HG22 VAL 14 6.710 -8.013 -8.989 94 HG23 VAL 14 HG23 VAL 14 7.796 -6.700 -8.531 95 H ASP 15 H ASP 15 6.099 -7.728 -5.968 96 HA ASP 15 HA ASP 15 7.748 -5.780 -4.527 97 HB2 ASP 15 HB2 ASP 15 6.841 -8.552 -3.733 98 HB3 ASP 15 HB3 ASP 15 7.859 -7.512 -2.747 99 HA PRO 16 HA PRO 16 11.473 -7.489 -6.281 100 HB2 PRO 16 HB2 PRO 16 13.184 -6.564 -4.342 101 HB3 PRO 16 HB3 PRO 16 12.570 -5.573 -5.669 102 HG2 PRO 16 HG2 PRO 16 11.610 -5.760 -2.845 103 HG3 PRO 16 HG3 PRO 16 11.827 -4.323 -3.863 104 HD2 PRO 16 HD2 PRO 16 9.406 -5.393 -3.454 105 HD3 PRO 16 HD3 PRO 16 9.855 -4.690 -5.020 106 H GLU 17 H GLU 17 10.231 -8.197 -3.144 107 HA GLU 17 HA GLU 17 12.174 -10.120 -2.365 108 HB2 GLU 17 HB2 GLU 17 9.520 -9.244 -1.383 109 HB3 GLU 17 HB3 GLU 17 9.965 -10.893 -0.984 110 HG2 GLU 17 HG2 GLU 17 10.580 -9.465 0.845 111 HG3 GLU 17 HG3 GLU 17 12.048 -10.037 0.069 112 H ARG 18 H ARG 18 9.557 -10.206 -4.607 113 HA ARG 18 HA ARG 18 10.077 -13.047 -5.181 114 HB2 ARG 18 HB2 ARG 18 7.702 -13.587 -5.337 115 HB3 ARG 18 HB3 ARG 18 8.103 -13.075 -3.704 116 HG2 ARG 18 HG2 ARG 18 7.008 -11.038 -3.946 117 HG3 ARG 18 HG3 ARG 18 7.003 -11.146 -5.706 118 HD2 ARG 18 HD2 ARG 18 5.362 -12.901 -5.649 119 HD3 ARG 18 HD3 ARG 18 5.461 -12.995 -3.888 120 HE ARG 18 HE ARG 18 4.792 -10.378 -4.540 121 HH11 ARG 18 HH11 ARG 18 3.325 -13.555 -4.820 122 HH12 ARG 18 HH12 ARG 18 1.708 -12.950 -4.706 123 HH21 ARG 18 HH21 ARG 18 2.643 -9.582 -4.398 124 HH22 ARG 18 HH22 ARG 18 1.327 -10.697 -4.464 125 H VAL 19 H VAL 19 10.684 -10.478 -6.412 126 HA VAL 19 HA VAL 19 8.892 -10.043 -8.572 127 HB VAL 19 HB VAL 19 10.283 -8.230 -7.676 128 HG11 VAL 19 HG11 VAL 19 12.676 -8.102 -8.230 129 HG12 VAL 19 HG12 VAL 19 12.601 -9.741 -8.876 130 HG13 VAL 19 HG13 VAL 19 12.311 -9.456 -7.161 131 HG21 VAL 19 HG21 VAL 19 10.836 -8.868 -10.566 132 HG22 VAL 19 HG22 VAL 19 11.024 -7.284 -9.815 133 HG23 VAL 19 HG23 VAL 19 9.426 -8.022 -9.928 134 H PHE 20 H PHE 20 8.925 -10.782 -10.604 135 HA PHE 20 HA PHE 20 10.823 -12.876 -11.219 136 HB2 PHE 20 HB2 PHE 20 8.356 -11.869 -12.635 137 HB3 PHE 20 HB3 PHE 20 9.427 -13.090 -13.327 138 HD1 PHE 20 HD1 PHE 20 7.849 -12.460 -9.984 139 HD2 PHE 20 HD2 PHE 20 8.617 -15.240 -13.116 140 HE1 PHE 20 HE1 PHE 20 6.667 -14.191 -8.717 141 HE2 PHE 20 HE2 PHE 20 7.423 -16.986 -11.855 142 HZ PHE 20 HZ PHE 20 6.442 -16.465 -9.656 143 H ASN 21 H ASN 21 12.690 -12.229 -11.847 144 HA ASN 21 HA ASN 21 12.908 -9.775 -13.379 145 HB2 ASN 21 HB2 ASN 21 14.401 -10.124 -11.431 146 HB3 ASN 21 HB3 ASN 21 15.098 -11.520 -12.249 147 HD21 ASN 21 HD21 ASN 21 16.381 -11.197 -14.088 148 HD22 ASN 21 HD22 ASN 21 17.094 -9.657 -14.423 149 H HIS 22 H HIS 22 12.858 -9.887 -15.445 150 HA HIS 22 HA HIS 22 14.250 -12.100 -16.747 151 HB2 HIS 22 HB2 HIS 22 11.749 -12.489 -16.753 152 HB3 HIS 22 HB3 HIS 22 11.566 -11.031 -17.702 153 HD2 HIS 22 HD2 HIS 22 10.979 -14.210 -18.692 154 HE1 HIS 22 HE1 HIS 22 13.950 -13.204 -21.546 155 HE2 HIS 22 HE2 HIS 22 11.981 -14.683 -21.041 156 H ASP 23 H ASP 23 15.733 -11.388 -18.082 157 HA ASP 23 HA ASP 23 16.964 -10.098 -19.483 158 HB2 ASP 23 HB2 ASP 23 14.738 -10.074 -20.754 159 HB3 ASP 23 HB3 ASP 23 14.471 -8.481 -20.055 160 H GLY 24 H GLY 24 16.309 -9.335 -16.647 161 HA2 GLY 24 HA2 GLY 24 17.357 -7.756 -15.285 162 HA3 GLY 24 HA3 GLY 24 17.660 -6.760 -16.702 163 H GLU 25 H GLU 25 14.493 -7.731 -16.745 164 HA GLU 25 HA GLU 25 13.640 -5.188 -15.564 165 HB2 GLU 25 HB2 GLU 25 12.460 -6.917 -17.709 166 HB3 GLU 25 HB3 GLU 25 11.538 -5.645 -16.917 167 HG2 GLU 25 HG2 GLU 25 12.939 -3.973 -17.738 168 HG3 GLU 25 HG3 GLU 25 14.174 -5.134 -18.228 169 H ALA 26 H ALA 26 11.571 -5.144 -14.522 170 HA ALA 26 HA ALA 26 11.165 -7.547 -12.904 171 HB1 ALA 26 HB1 ALA 26 10.122 -6.030 -11.284 172 HB2 ALA 26 HB2 ALA 26 10.410 -4.676 -12.376 173 HB3 ALA 26 HB3 ALA 26 11.771 -5.541 -11.665 174 H TYR 27 H TYR 27 9.241 -8.548 -12.862 175 HA TYR 27 HA TYR 27 6.982 -7.286 -14.246 176 HB2 TYR 27 HB2 TYR 27 7.877 -10.164 -14.530 177 HB3 TYR 27 HB3 TYR 27 6.386 -9.504 -15.191 178 HD1 TYR 27 HD1 TYR 27 10.014 -9.708 -15.572 179 HD2 TYR 27 HD2 TYR 27 6.453 -7.938 -17.089 180 HE1 TYR 27 HE1 TYR 27 11.216 -9.044 -17.611 181 HE2 TYR 27 HE2 TYR 27 7.647 -7.277 -19.131 182 HH TYR 27 HH TYR 27 10.084 -6.792 -19.753 183 H CYS 28 H CYS 28 4.910 -7.886 -13.458 184 HA CYS 28 HA CYS 28 4.916 -8.320 -10.637 185 HB2 CYS 28 HB2 CYS 28 2.506 -8.053 -10.765 186 HB3 CYS 28 HB3 CYS 28 3.296 -6.824 -11.744 187 H SER 29 H SER 29 4.328 -10.339 -13.408 188 HA SER 29 HA SER 29 4.072 -12.625 -11.619 189 HB2 SER 29 HB2 SER 29 2.191 -13.499 -13.018 190 HB3 SER 29 HB3 SER 29 1.778 -12.048 -12.105 191 HG SER 29 HG SER 29 1.951 -10.836 -13.962 192 H GLN 30 H GLN 30 4.168 -14.701 -12.891 193 HA GLN 30 HA GLN 30 6.481 -14.774 -14.494 194 HB2 GLN 30 HB2 GLN 30 5.752 -16.695 -13.167 195 HB3 GLN 30 HB3 GLN 30 4.283 -16.825 -14.120 196 HG2 GLN 30 HG2 GLN 30 5.568 -17.420 -16.079 197 HG3 GLN 30 HG3 GLN 30 7.070 -17.203 -15.184 198 HE21 GLN 30 HE21 GLN 30 4.242 -19.199 -15.599 199 HE22 GLN 30 HE22 GLN 30 4.860 -20.587 -14.776 200 H ALA 31 H ALA 31 3.070 -14.622 -15.195 201 HA ALA 31 HA ALA 31 2.968 -15.266 -17.864 202 HB1 ALA 31 HB1 ALA 31 0.989 -14.845 -16.514 203 HB2 ALA 31 HB2 ALA 31 0.967 -13.860 -17.975 204 HB3 ALA 31 HB3 ALA 31 1.398 -13.132 -16.427 205 H CYS 32 H CYS 32 3.318 -11.953 -16.566 206 HA CYS 32 HA CYS 32 3.744 -10.738 -19.064 207 HB2 CYS 32 HB2 CYS 32 4.586 -9.827 -16.317 208 HB3 CYS 32 HB3 CYS 32 4.645 -8.827 -17.765 209 H ALA 33 H ALA 33 6.013 -11.999 -16.677 210 HA ALA 33 HA ALA 33 8.377 -11.054 -17.810 211 HB1 ALA 33 HB1 ALA 33 9.493 -12.840 -16.580 212 HB2 ALA 33 HB2 ALA 33 7.945 -13.645 -16.324 213 HB3 ALA 33 HB3 ALA 33 8.254 -12.074 -15.586 214 H GLU 34 H GLU 34 6.471 -13.903 -18.525 215 HA GLU 34 HA GLU 34 8.418 -14.760 -20.515 216 HB2 GLU 34 HB2 GLU 34 6.008 -16.068 -19.324 217 HB3 GLU 34 HB3 GLU 34 6.971 -16.791 -20.613 218 HG2 GLU 34 HG2 GLU 34 8.952 -16.525 -19.050 219 HG3 GLU 34 HG3 GLU 34 7.764 -16.199 -17.788 220 H GLN 35 H GLN 35 6.165 -12.551 -20.691 221 HA GLN 35 HA GLN 35 4.984 -11.591 -22.392 222 HB2 GLN 35 HB2 GLN 35 6.235 -13.698 -24.166 223 HB3 GLN 35 HB3 GLN 35 5.466 -12.212 -24.699 224 HG2 GLN 35 HG2 GLN 35 8.067 -12.541 -23.240 225 HG3 GLN 35 HG3 GLN 35 7.786 -11.853 -24.838 226 HE21 GLN 35 HE21 GLN 35 7.829 -11.286 -21.457 227 HE22 GLN 35 HE22 GLN 35 7.490 -9.595 -21.517 228 H HIS 36 H HIS 36 3.893 -13.761 -20.829 229 HA HIS 36 HA HIS 36 2.085 -15.117 -20.647 230 HB2 HIS 36 HB2 HIS 36 0.957 -13.515 -22.951 231 HB3 HIS 36 HB3 HIS 36 0.048 -14.398 -21.732 232 HD1 HIS 36 HD1 HIS 36 -0.332 -13.225 -19.475 233 HD2 HIS 36 HD2 HIS 36 2.037 -11.066 -22.101 234 HE1 HIS 36 HE1 HIS 36 -0.118 -10.926 -18.459 235 HA PRO 37 HA PRO 37 3.495 -17.689 -24.280 236 HB2 PRO 37 HB2 PRO 37 4.388 -19.789 -22.814 237 HB3 PRO 37 HB3 PRO 37 5.394 -18.382 -23.177 238 HG2 PRO 37 HG2 PRO 37 3.862 -19.024 -20.690 239 HG3 PRO 37 HG3 PRO 37 5.503 -18.374 -20.854 240 HD2 PRO 37 HD2 PRO 37 3.369 -16.814 -20.278 241 HD3 PRO 37 HD3 PRO 37 4.749 -16.228 -21.227 242 H ASN 38 H ASN 38 1.813 -18.634 -21.327 243 HA ASN 38 HA ASN 38 0.402 -20.783 -22.677 244 HB2 ASN 38 HB2 ASN 38 0.108 -19.743 -19.847 245 HB3 ASN 38 HB3 ASN 38 -0.626 -21.207 -20.485 246 HD21 ASN 38 HD21 ASN 38 1.779 -21.915 -22.030 247 HD22 ASN 38 HD22 ASN 38 2.921 -22.478 -20.867 248 H GLY 39 H GLY 39 0.083 -17.617 -22.864 249 HA2 GLY 39 HA2 GLY 39 -1.643 -16.272 -23.556 250 HA3 GLY 39 HA3 GLY 39 -2.664 -17.703 -23.604 251 H GLU 40 H GLU 40 -1.083 -17.149 -20.622 252 HA GLU 40 HA GLU 40 -3.635 -16.370 -19.474 253 HB2 GLU 40 HB2 GLU 40 -2.765 -17.030 -17.320 254 HB3 GLU 40 HB3 GLU 40 -2.477 -18.318 -18.476 255 HG2 GLU 40 HG2 GLU 40 -0.196 -17.965 -18.499 256 HG3 GLU 40 HG3 GLU 40 -0.346 -16.312 -17.907 257 HA PRO 41 HA PRO 41 -2.063 -12.185 -19.060 258 HB2 PRO 41 HB2 PRO 41 -4.606 -11.762 -17.648 259 HB3 PRO 41 HB3 PRO 41 -4.022 -11.008 -19.133 260 HG2 PRO 41 HG2 PRO 41 -6.041 -12.799 -19.125 261 HG3 PRO 41 HG3 PRO 41 -4.902 -12.656 -20.475 262 HD2 PRO 41 HD2 PRO 41 -4.989 -14.678 -18.272 263 HD3 PRO 41 HD3 PRO 41 -4.629 -14.891 -19.999 264 H CYS 42 H CYS 42 -1.890 -10.678 -17.109 265 HA CYS 42 HA CYS 42 -0.907 -12.183 -14.907 266 HB2 CYS 42 HB2 CYS 42 -0.274 -10.031 -13.971 267 HB3 CYS 42 HB3 CYS 42 0.064 -10.027 -15.698 268 HA PRO 43 HA PRO 43 -4.483 -12.537 -12.388 269 HB2 PRO 43 HB2 PRO 43 -3.595 -12.121 -9.867 270 HB3 PRO 43 HB3 PRO 43 -3.156 -13.547 -10.814 271 HG2 PRO 43 HG2 PRO 43 -1.601 -11.028 -10.359 272 HG3 PRO 43 HG3 PRO 43 -1.044 -12.711 -10.298 273 HD2 PRO 43 HD2 PRO 43 -0.633 -11.128 -12.443 274 HD3 PRO 43 HD3 PRO 43 -0.893 -12.875 -12.593 275 H ALA 44 H ALA 44 -4.330 -9.865 -13.489 276 HA ALA 44 HA ALA 44 -5.669 -8.379 -11.343 277 HB1 ALA 44 HB1 ALA 44 -3.926 -7.226 -13.522 278 HB2 ALA 44 HB2 ALA 44 -3.488 -7.369 -11.819 279 HB3 ALA 44 HB3 ALA 44 -4.806 -6.301 -12.305 280 HA PRO 45 HA PRO 45 -8.870 -8.837 -14.479 281 HB2 PRO 45 HB2 PRO 45 -10.912 -7.951 -12.919 282 HB3 PRO 45 HB3 PRO 45 -10.258 -9.588 -12.803 283 HG2 PRO 45 HG2 PRO 45 -9.736 -7.215 -11.064 284 HG3 PRO 45 HG3 PRO 45 -9.944 -8.915 -10.611 285 HD2 PRO 45 HD2 PRO 45 -7.531 -7.673 -10.784 286 HD3 PRO 45 HD3 PRO 45 -7.761 -9.414 -11.033 287 H ASP 46 H ASP 46 -7.916 -6.053 -12.724 288 HA ASP 46 HA ASP 46 -9.525 -4.151 -14.168 289 HB2 ASP 46 HB2 ASP 46 -8.923 -3.591 -11.922 290 HB3 ASP 46 HB3 ASP 46 -7.219 -3.891 -12.235 291 H CYS 47 H CYS 47 -6.495 -5.695 -14.561 292 HA CYS 47 HA CYS 47 -5.342 -3.624 -16.171 293 HB2 CYS 47 HB2 CYS 47 -4.122 -5.253 -14.611 294 HB3 CYS 47 HB3 CYS 47 -4.272 -6.406 -15.936 295 H HIS 48 H HIS 48 -4.529 -4.035 -18.352 296 HA HIS 48 HA HIS 48 -6.117 -5.941 -19.900 297 HB2 HIS 48 HB2 HIS 48 -6.749 -4.168 -21.540 298 HB3 HIS 48 HB3 HIS 48 -7.503 -3.972 -19.964 299 HD1 HIS 48 HD1 HIS 48 -5.166 -2.323 -22.353 300 HD2 HIS 48 HD2 HIS 48 -6.596 -1.714 -18.494 301 HE1 HIS 48 HE1 HIS 48 -4.563 0.047 -21.773 302 HE2 HIS 48 HE2 HIS 48 -5.298 0.341 -19.384 303 H CYS 49 H CYS 49 -3.309 -5.933 -19.298 304 HA CYS 49 HA CYS 49 -1.941 -4.925 -21.627 305 HB2 CYS 49 HB2 CYS 49 0.079 -5.805 -20.596 306 HB3 CYS 49 HB3 CYS 49 -0.868 -4.923 -19.408 307 H GLU 50 H GLU 50 -0.907 -6.150 -23.204 308 HA GLU 50 HA GLU 50 -0.781 -7.747 -24.806 309 HB2 GLU 50 HB2 GLU 50 -0.666 -9.397 -22.295 310 HB3 GLU 50 HB3 GLU 50 -0.448 -10.100 -23.891 311 HG2 GLU 50 HG2 GLU 50 1.216 -7.747 -23.373 312 HG3 GLU 50 HG3 GLU 50 1.547 -9.121 -22.321 313 H ARG 51 H ARG 51 -3.333 -6.866 -24.594 314 HA ARG 51 HA ARG 51 -5.137 -9.117 -24.417 315 HB2 ARG 51 HB2 ARG 51 -6.875 -7.492 -25.158 316 HB3 ARG 51 HB3 ARG 51 -6.015 -7.002 -23.707 317 HG2 ARG 51 HG2 ARG 51 -4.822 -5.337 -24.842 318 HG3 ARG 51 HG3 ARG 51 -5.241 -5.996 -26.427 319 HD2 ARG 51 HD2 ARG 51 -7.545 -5.346 -26.138 320 HD3 ARG 51 HD3 ARG 51 -7.236 -4.842 -24.478 321 HE ARG 51 HE ARG 51 -5.548 -3.398 -26.176 322 HH11 ARG 51 HH11 ARG 51 -8.970 -3.694 -25.485 323 HH12 ARG 51 HH12 ARG 51 -9.319 -2.040 -25.848 324 HH21 ARG 51 HH21 ARG 51 -6.006 -1.199 -26.654 325 HH22 ARG 51 HH22 ARG 51 -7.632 -0.619 -26.516 326 H SER 52 H SER 52 -2.973 -8.282 -26.655 327 HA SER 52 HA SER 52 -4.582 -8.693 -29.030 328 HB2 SER 52 HB2 SER 52 -1.580 -8.467 -28.799 329 HB3 SER 52 HB3 SER 52 -2.555 -8.255 -30.249 330 HG SER 52 HG SER 52 -1.940 -6.255 -29.246 Start of MODEL 11 1 HA ASN 1 HA ASN 1 11.021 5.562 -8.127 2 HB2 ASN 1 HB2 ASN 1 13.419 5.101 -8.218 3 HB3 ASN 1 HB3 ASN 1 13.183 3.597 -7.335 4 HD21 ASN 1 HD21 ASN 1 12.747 5.234 -10.375 5 HD22 ASN 1 HD22 ASN 1 12.452 3.815 -11.319 6 H GLU 2 H GLU 2 9.059 4.747 -8.293 7 HA GLU 2 HA GLU 2 8.237 2.435 -6.811 8 HB2 GLU 2 HB2 GLU 2 6.802 3.979 -8.981 9 HB3 GLU 2 HB3 GLU 2 6.079 2.737 -7.969 10 HG2 GLU 2 HG2 GLU 2 6.499 4.112 -5.990 11 HG3 GLU 2 HG3 GLU 2 7.202 5.362 -7.014 12 H LEU 3 H LEU 3 8.422 0.419 -7.420 13 HA LEU 3 HA LEU 3 9.770 -0.351 -9.769 14 HB2 LEU 3 HB2 LEU 3 9.397 -1.519 -7.411 15 HB3 LEU 3 HB3 LEU 3 8.057 -2.271 -8.247 16 HG LEU 3 HG LEU 3 10.945 -2.453 -9.121 17 HD11 LEU 3 HD11 LEU 3 10.836 -4.758 -8.301 18 HD12 LEU 3 HD12 LEU 3 9.224 -4.445 -7.657 19 HD13 LEU 3 HD13 LEU 3 10.617 -3.585 -7.004 20 HD21 LEU 3 HD21 LEU 3 8.480 -3.914 -10.066 21 HD22 LEU 3 HD22 LEU 3 10.134 -4.262 -10.565 22 HD23 LEU 3 HD23 LEU 3 9.398 -2.713 -10.975 23 H ARG 4 H ARG 4 9.019 -0.655 -11.758 24 HA ARG 4 HA ARG 4 6.109 -0.881 -12.136 25 HB2 ARG 4 HB2 ARG 4 6.408 0.229 -14.300 26 HB3 ARG 4 HB3 ARG 4 7.018 1.231 -12.994 27 HG2 ARG 4 HG2 ARG 4 9.283 -0.050 -13.698 28 HG3 ARG 4 HG3 ARG 4 8.443 -0.027 -15.247 29 HD2 ARG 4 HD2 ARG 4 9.850 1.948 -15.021 30 HD3 ARG 4 HD3 ARG 4 8.146 2.411 -15.034 31 HE ARG 4 HE ARG 4 8.882 2.068 -12.376 32 HH11 ARG 4 HH11 ARG 4 9.732 4.194 -15.027 33 HH12 ARG 4 HH12 ARG 4 10.153 5.518 -13.997 34 HH21 ARG 4 HH21 ARG 4 9.426 3.811 -11.017 35 HH22 ARG 4 HH22 ARG 4 9.969 5.305 -11.708 36 H CYS 5 H CYS 5 5.359 -2.255 -13.821 37 HA CYS 5 HA CYS 5 6.928 -4.644 -14.086 38 HB2 CYS 5 HB2 CYS 5 4.408 -4.588 -13.765 39 HB3 CYS 5 HB3 CYS 5 4.279 -4.009 -15.420 40 H GLY 6 H GLY 6 7.542 -5.591 -16.103 41 HA2 GLY 6 HA2 GLY 6 8.741 -3.716 -17.880 42 HA3 GLY 6 HA3 GLY 6 8.739 -5.462 -18.067 43 H CYS 7 H CYS 7 5.654 -5.219 -17.881 44 HA CYS 7 HA CYS 7 5.199 -5.277 -20.668 45 HB2 CYS 7 HB2 CYS 7 3.696 -5.797 -18.272 46 HB3 CYS 7 HB3 CYS 7 2.727 -4.864 -19.408 47 HA PRO 8 HA PRO 8 4.627 -1.046 -21.599 48 HB2 PRO 8 HB2 PRO 8 3.149 -1.167 -23.830 49 HB3 PRO 8 HB3 PRO 8 4.804 -1.786 -23.779 50 HG2 PRO 8 HG2 PRO 8 2.217 -3.286 -23.607 51 HG3 PRO 8 HG3 PRO 8 3.686 -3.692 -24.512 52 HD2 PRO 8 HD2 PRO 8 3.034 -4.791 -22.083 53 HD3 PRO 8 HD3 PRO 8 4.696 -4.632 -22.683 54 H ASP 9 H ASP 9 1.852 -2.936 -20.842 55 HA ASP 9 HA ASP 9 0.300 -0.467 -20.405 56 HB2 ASP 9 HB2 ASP 9 -0.437 -1.767 -22.461 57 HB3 ASP 9 HB3 ASP 9 -0.901 -3.071 -21.378 58 H CYS 10 H CYS 10 1.940 -2.414 -18.750 59 HA CYS 10 HA CYS 10 -0.174 -3.200 -16.868 60 HB2 CYS 10 HB2 CYS 10 1.137 -5.042 -17.997 61 HB3 CYS 10 HB3 CYS 10 2.545 -4.464 -17.114 62 H HIS 11 H HIS 11 0.015 -2.564 -14.778 63 HA HIS 11 HA HIS 11 2.446 -1.179 -13.904 64 HB2 HIS 11 HB2 HIS 11 -0.286 0.037 -14.153 65 HB3 HIS 11 HB3 HIS 11 0.810 0.595 -12.898 66 HD2 HIS 11 HD2 HIS 11 0.737 0.473 -16.852 67 HE1 HIS 11 HE1 HIS 11 3.326 3.570 -15.563 68 HE2 HIS 11 HE2 HIS 11 2.306 2.411 -17.544 69 H CYS 12 H CYS 12 1.380 -3.731 -13.125 70 HA CYS 12 HA CYS 12 -0.105 -3.472 -10.720 71 HB2 CYS 12 HB2 CYS 12 1.389 -5.729 -11.982 72 HB3 CYS 12 HB3 CYS 12 0.727 -5.882 -10.357 73 H LYS 13 H LYS 13 0.642 -4.425 -8.672 74 HA LYS 13 HA LYS 13 2.961 -2.991 -7.742 75 HB2 LYS 13 HB2 LYS 13 1.076 -4.838 -6.263 76 HB3 LYS 13 HB3 LYS 13 2.197 -3.690 -5.540 77 HG2 LYS 13 HG2 LYS 13 0.920 -1.852 -6.158 78 HG3 LYS 13 HG3 LYS 13 0.066 -2.747 -7.416 79 HD2 LYS 13 HD2 LYS 13 -1.044 -4.082 -5.659 80 HD3 LYS 13 HD3 LYS 13 -0.240 -3.096 -4.437 81 HE2 LYS 13 HE2 LYS 13 -1.380 -1.127 -5.199 82 HE3 LYS 13 HE3 LYS 13 -2.064 -2.001 -6.569 83 HZ1 LYS 13 HZ1 LYS 13 -3.339 -3.345 -5.063 84 HZ2 LYS 13 HZ2 LYS 13 -3.648 -1.715 -4.742 85 HZ3 LYS 13 HZ3 LYS 13 -2.633 -2.603 -3.721 86 H VAL 14 H VAL 14 4.932 -3.867 -7.629 87 HA VAL 14 HA VAL 14 5.146 -6.787 -7.896 88 HB VAL 14 HB VAL 14 7.250 -4.731 -8.580 89 HG11 VAL 14 HG11 VAL 14 7.032 -7.664 -9.230 90 HG12 VAL 14 HG12 VAL 14 8.157 -6.925 -8.089 91 HG13 VAL 14 HG13 VAL 14 8.290 -6.575 -9.813 92 HG21 VAL 14 HG21 VAL 14 6.665 -5.132 -10.934 93 HG22 VAL 14 HG22 VAL 14 5.323 -4.424 -10.034 94 HG23 VAL 14 HG23 VAL 14 5.316 -6.145 -10.417 95 H ASP 15 H ASP 15 5.878 -7.880 -6.212 96 HA ASP 15 HA ASP 15 7.198 -6.478 -4.020 97 HB2 ASP 15 HB2 ASP 15 6.036 -9.255 -4.253 98 HB3 ASP 15 HB3 ASP 15 6.970 -8.737 -2.855 99 HA PRO 16 HA PRO 16 11.129 -7.965 -5.477 100 HB2 PRO 16 HB2 PRO 16 12.326 -7.355 -2.910 101 HB3 PRO 16 HB3 PRO 16 12.469 -6.464 -4.425 102 HG2 PRO 16 HG2 PRO 16 11.155 -5.505 -2.232 103 HG3 PRO 16 HG3 PRO 16 10.763 -5.035 -3.895 104 HD2 PRO 16 HD2 PRO 16 9.410 -7.024 -2.113 105 HD3 PRO 16 HD3 PRO 16 8.702 -5.820 -3.212 106 H GLU 17 H GLU 17 9.461 -9.217 -2.838 107 HA GLU 17 HA GLU 17 11.376 -11.250 -2.100 108 HB2 GLU 17 HB2 GLU 17 8.469 -10.980 -1.336 109 HB3 GLU 17 HB3 GLU 17 9.694 -11.940 -0.517 110 HG2 GLU 17 HG2 GLU 17 10.831 -9.991 0.232 111 HG3 GLU 17 HG3 GLU 17 9.823 -8.952 -0.771 112 H ARG 18 H ARG 18 8.903 -10.807 -4.380 113 HA ARG 18 HA ARG 18 9.083 -13.583 -5.247 114 HB2 ARG 18 HB2 ARG 18 6.600 -13.688 -5.510 115 HB3 ARG 18 HB3 ARG 18 7.117 -13.610 -3.831 116 HG2 ARG 18 HG2 ARG 18 6.622 -11.196 -3.827 117 HG3 ARG 18 HG3 ARG 18 6.022 -11.342 -5.479 118 HD2 ARG 18 HD2 ARG 18 4.371 -13.021 -4.645 119 HD3 ARG 18 HD3 ARG 18 4.910 -12.657 -3.006 120 HE ARG 18 HE ARG 18 4.212 -10.289 -3.529 121 HH11 ARG 18 HH11 ARG 18 2.669 -13.032 -5.111 122 HH12 ARG 18 HH12 ARG 18 1.194 -12.182 -5.387 123 HH21 ARG 18 HH21 ARG 18 2.294 -9.181 -3.928 124 HH22 ARG 18 HH22 ARG 18 0.971 -9.966 -4.730 125 H VAL 19 H VAL 19 10.217 -11.229 -6.234 126 HA VAL 19 HA VAL 19 8.629 -10.196 -8.400 127 HB VAL 19 HB VAL 19 10.143 -8.681 -7.212 128 HG11 VAL 19 HG11 VAL 19 12.585 -8.890 -7.429 129 HG12 VAL 19 HG12 VAL 19 12.367 -10.449 -8.226 130 HG13 VAL 19 HG13 VAL 19 11.872 -10.239 -6.546 131 HG21 VAL 19 HG21 VAL 19 11.051 -9.166 -10.049 132 HG22 VAL 19 HG22 VAL 19 11.303 -7.684 -9.127 133 HG23 VAL 19 HG23 VAL 19 9.669 -8.192 -9.553 134 H PHE 20 H PHE 20 8.938 -10.589 -10.552 135 HA PHE 20 HA PHE 20 10.699 -12.848 -11.177 136 HB2 PHE 20 HB2 PHE 20 8.235 -11.833 -12.605 137 HB3 PHE 20 HB3 PHE 20 9.256 -13.148 -13.184 138 HD1 PHE 20 HD1 PHE 20 7.193 -12.119 -10.242 139 HD2 PHE 20 HD2 PHE 20 8.792 -15.332 -12.536 140 HE1 PHE 20 HE1 PHE 20 5.862 -13.717 -8.931 141 HE2 PHE 20 HE2 PHE 20 7.470 -16.931 -11.216 142 HZ PHE 20 HZ PHE 20 6.001 -16.124 -9.415 143 H ASN 21 H ASN 21 12.553 -12.139 -11.851 144 HA ASN 21 HA ASN 21 12.691 -9.757 -13.533 145 HB2 ASN 21 HB2 ASN 21 14.249 -9.814 -11.658 146 HB3 ASN 21 HB3 ASN 21 14.856 -11.383 -12.177 147 HD21 ASN 21 HD21 ASN 21 16.172 -11.505 -14.031 148 HD22 ASN 21 HD22 ASN 21 16.983 -10.107 -14.649 149 H HIS 22 H HIS 22 12.627 -10.067 -15.627 150 HA HIS 22 HA HIS 22 14.047 -12.385 -16.671 151 HB2 HIS 22 HB2 HIS 22 11.555 -12.814 -16.528 152 HB3 HIS 22 HB3 HIS 22 11.351 -11.550 -17.731 153 HD2 HIS 22 HD2 HIS 22 11.653 -12.356 -20.308 154 HE1 HIS 22 HE1 HIS 22 13.118 -16.251 -19.509 155 HE2 HIS 22 HE2 HIS 22 12.134 -14.717 -21.241 156 H ASP 23 H ASP 23 15.469 -11.877 -18.062 157 HA ASP 23 HA ASP 23 16.737 -10.797 -19.565 158 HB2 ASP 23 HB2 ASP 23 14.596 -11.156 -20.940 159 HB3 ASP 23 HB3 ASP 23 14.263 -9.451 -20.647 160 H GLY 24 H GLY 24 16.015 -9.551 -16.999 161 HA2 GLY 24 HA2 GLY 24 17.167 -7.738 -16.062 162 HA3 GLY 24 HA3 GLY 24 17.153 -6.927 -17.621 163 H GLU 25 H GLU 25 14.109 -7.907 -17.423 164 HA GLU 25 HA GLU 25 13.335 -5.436 -16.046 165 HB2 GLU 25 HB2 GLU 25 12.064 -6.978 -18.267 166 HB3 GLU 25 HB3 GLU 25 11.064 -5.973 -17.229 167 HG2 GLU 25 HG2 GLU 25 11.574 -4.602 -19.036 168 HG3 GLU 25 HG3 GLU 25 12.690 -4.101 -17.767 169 H ALA 26 H ALA 26 11.785 -5.398 -14.500 170 HA ALA 26 HA ALA 26 11.271 -7.946 -13.190 171 HB1 ALA 26 HB1 ALA 26 12.199 -6.161 -11.820 172 HB2 ALA 26 HB2 ALA 26 10.564 -6.555 -11.286 173 HB3 ALA 26 HB3 ALA 26 10.853 -5.109 -12.255 174 H TYR 27 H TYR 27 9.266 -8.783 -12.982 175 HA TYR 27 HA TYR 27 7.038 -7.246 -14.133 176 HB2 TYR 27 HB2 TYR 27 7.599 -10.194 -14.491 177 HB3 TYR 27 HB3 TYR 27 6.180 -9.344 -15.088 178 HD1 TYR 27 HD1 TYR 27 9.794 -9.870 -15.549 179 HD2 TYR 27 HD2 TYR 27 6.325 -7.903 -17.034 180 HE1 TYR 27 HE1 TYR 27 10.981 -9.355 -17.637 181 HE2 TYR 27 HE2 TYR 27 7.508 -7.394 -19.128 182 HH TYR 27 HH TYR 27 10.488 -8.828 -19.944 183 H CYS 28 H CYS 28 4.893 -7.942 -13.385 184 HA CYS 28 HA CYS 28 4.894 -8.266 -10.546 185 HB2 CYS 28 HB2 CYS 28 2.462 -8.096 -10.714 186 HB3 CYS 28 HB3 CYS 28 3.238 -6.853 -11.686 187 H SER 29 H SER 29 4.414 -10.384 -13.251 188 HA SER 29 HA SER 29 4.195 -12.633 -11.416 189 HB2 SER 29 HB2 SER 29 2.344 -13.573 -12.821 190 HB3 SER 29 HB3 SER 29 1.897 -12.132 -11.908 191 HG SER 29 HG SER 29 1.987 -10.921 -13.748 192 H GLN 30 H GLN 30 4.233 -14.742 -12.770 193 HA GLN 30 HA GLN 30 6.596 -14.659 -14.359 194 HB2 GLN 30 HB2 GLN 30 6.059 -17.165 -14.682 195 HB3 GLN 30 HB3 GLN 30 6.445 -16.605 -13.067 196 HG2 GLN 30 HG2 GLN 30 3.955 -16.478 -12.645 197 HG3 GLN 30 HG3 GLN 30 3.742 -17.317 -14.178 198 HE21 GLN 30 HE21 GLN 30 6.138 -18.959 -13.813 199 HE22 GLN 30 HE22 GLN 30 5.729 -20.146 -12.627 200 H ALA 31 H ALA 31 3.301 -14.304 -15.037 201 HA ALA 31 HA ALA 31 3.204 -15.294 -17.675 202 HB1 ALA 31 HB1 ALA 31 1.214 -13.875 -17.911 203 HB2 ALA 31 HB2 ALA 31 1.595 -13.104 -16.370 204 HB3 ALA 31 HB3 ALA 31 1.187 -14.819 -16.424 205 H CYS 32 H CYS 32 3.424 -11.923 -16.559 206 HA CYS 32 HA CYS 32 3.842 -10.768 -19.072 207 HB2 CYS 32 HB2 CYS 32 4.714 -9.755 -16.359 208 HB3 CYS 32 HB3 CYS 32 4.714 -8.798 -17.833 209 H ALA 33 H ALA 33 6.131 -11.986 -16.694 210 HA ALA 33 HA ALA 33 8.504 -10.996 -17.730 211 HB1 ALA 33 HB1 ALA 33 8.391 -12.104 -15.577 212 HB2 ALA 33 HB2 ALA 33 9.596 -12.878 -16.612 213 HB3 ALA 33 HB3 ALA 33 8.025 -13.640 -16.368 214 H GLU 34 H GLU 34 6.707 -13.853 -18.595 215 HA GLU 34 HA GLU 34 8.702 -14.533 -20.610 216 HB2 GLU 34 HB2 GLU 34 6.458 -16.002 -19.295 217 HB3 GLU 34 HB3 GLU 34 7.349 -16.674 -20.671 218 HG2 GLU 34 HG2 GLU 34 9.390 -16.665 -19.410 219 HG3 GLU 34 HG3 GLU 34 8.620 -15.788 -18.089 220 H GLN 35 H GLN 35 6.497 -12.405 -20.717 221 HA GLN 35 HA GLN 35 5.070 -11.502 -22.215 222 HB2 GLN 35 HB2 GLN 35 6.691 -13.280 -24.020 223 HB3 GLN 35 HB3 GLN 35 5.390 -12.283 -24.655 224 HG2 GLN 35 HG2 GLN 35 7.393 -11.075 -24.969 225 HG3 GLN 35 HG3 GLN 35 6.537 -10.301 -23.638 226 HE21 GLN 35 HE21 GLN 35 8.299 -9.400 -22.703 227 HE22 GLN 35 HE22 GLN 35 9.565 -10.304 -21.955 228 H HIS 36 H HIS 36 4.167 -13.706 -20.705 229 HA HIS 36 HA HIS 36 2.372 -15.052 -20.452 230 HB2 HIS 36 HB2 HIS 36 1.234 -13.610 -22.868 231 HB3 HIS 36 HB3 HIS 36 0.325 -14.453 -21.618 232 HD1 HIS 36 HD1 HIS 36 0.137 -13.249 -19.289 233 HD2 HIS 36 HD2 HIS 36 1.988 -11.007 -22.239 234 HE1 HIS 36 HE1 HIS 36 0.243 -10.910 -18.383 235 HA PRO 37 HA PRO 37 4.118 -17.761 -23.846 236 HB2 PRO 37 HB2 PRO 37 4.766 -19.831 -22.181 237 HB3 PRO 37 HB3 PRO 37 5.851 -18.481 -22.532 238 HG2 PRO 37 HG2 PRO 37 4.064 -18.911 -20.170 239 HG3 PRO 37 HG3 PRO 37 5.734 -18.316 -20.217 240 HD2 PRO 37 HD2 PRO 37 3.641 -16.655 -19.929 241 HD3 PRO 37 HD3 PRO 37 5.088 -16.185 -20.842 242 H ASN 38 H ASN 38 2.098 -18.743 -21.097 243 HA ASN 38 HA ASN 38 0.806 -20.792 -22.723 244 HB2 ASN 38 HB2 ASN 38 0.585 -20.027 -19.812 245 HB3 ASN 38 HB3 ASN 38 -0.539 -21.151 -20.557 246 HD21 ASN 38 HD21 ASN 38 2.828 -21.025 -21.485 247 HD22 ASN 38 HD22 ASN 38 3.278 -22.532 -20.779 248 H GLY 39 H GLY 39 0.542 -17.740 -23.012 249 HA2 GLY 39 HA2 GLY 39 -1.105 -16.315 -23.740 250 HA3 GLY 39 HA3 GLY 39 -2.168 -17.712 -23.831 251 H GLU 40 H GLU 40 -0.687 -17.106 -20.815 252 HA GLU 40 HA GLU 40 -3.286 -16.437 -19.701 253 HB2 GLU 40 HB2 GLU 40 -2.338 -17.028 -17.555 254 HB3 GLU 40 HB3 GLU 40 -2.022 -18.308 -18.718 255 HG2 GLU 40 HG2 GLU 40 0.205 -18.038 -18.610 256 HG3 GLU 40 HG3 GLU 40 0.091 -16.282 -18.500 257 HA PRO 41 HA PRO 41 -1.856 -12.202 -19.140 258 HB2 PRO 41 HB2 PRO 41 -4.154 -11.303 -18.012 259 HB3 PRO 41 HB3 PRO 41 -3.997 -11.561 -19.754 260 HG2 PRO 41 HG2 PRO 41 -5.256 -13.315 -17.685 261 HG3 PRO 41 HG3 PRO 41 -5.821 -12.929 -19.321 262 HD2 PRO 41 HD2 PRO 41 -4.550 -15.251 -18.693 263 HD3 PRO 41 HD3 PRO 41 -4.455 -14.499 -20.298 264 H CYS 42 H CYS 42 -1.783 -10.725 -17.146 265 HA CYS 42 HA CYS 42 -0.773 -12.247 -14.961 266 HB2 CYS 42 HB2 CYS 42 -0.198 -10.106 -13.978 267 HB3 CYS 42 HB3 CYS 42 0.146 -10.044 -15.700 268 HA PRO 43 HA PRO 43 -4.331 -12.622 -12.365 269 HB2 PRO 43 HB2 PRO 43 -3.341 -12.295 -9.878 270 HB3 PRO 43 HB3 PRO 43 -2.949 -13.702 -10.874 271 HG2 PRO 43 HG2 PRO 43 -1.358 -11.210 -10.404 272 HG3 PRO 43 HG3 PRO 43 -0.815 -12.898 -10.399 273 HD2 PRO 43 HD2 PRO 43 -0.462 -11.268 -12.517 274 HD3 PRO 43 HD3 PRO 43 -0.732 -13.010 -12.696 275 H ALA 44 H ALA 44 -4.441 -10.122 -13.469 276 HA ALA 44 HA ALA 44 -5.617 -8.579 -11.283 277 HB1 ALA 44 HB1 ALA 44 -3.428 -7.575 -11.717 278 HB2 ALA 44 HB2 ALA 44 -4.728 -6.490 -12.212 279 HB3 ALA 44 HB3 ALA 44 -3.837 -7.408 -13.424 280 HA PRO 45 HA PRO 45 -8.772 -9.089 -14.482 281 HB2 PRO 45 HB2 PRO 45 -10.856 -8.332 -12.928 282 HB3 PRO 45 HB3 PRO 45 -10.134 -9.942 -12.841 283 HG2 PRO 45 HG2 PRO 45 -9.685 -7.569 -11.071 284 HG3 PRO 45 HG3 PRO 45 -9.914 -9.270 -10.625 285 HD2 PRO 45 HD2 PRO 45 -7.484 -8.109 -10.715 286 HD3 PRO 45 HD3 PRO 45 -7.734 -9.819 -11.109 287 H ASP 46 H ASP 46 -7.932 -6.306 -12.652 288 HA ASP 46 HA ASP 46 -9.626 -4.497 -14.139 289 HB2 ASP 46 HB2 ASP 46 -9.187 -3.974 -11.816 290 HB3 ASP 46 HB3 ASP 46 -7.450 -4.026 -12.091 291 H CYS 47 H CYS 47 -6.518 -5.872 -14.428 292 HA CYS 47 HA CYS 47 -5.437 -3.732 -16.027 293 HB2 CYS 47 HB2 CYS 47 -4.099 -5.195 -14.440 294 HB3 CYS 47 HB3 CYS 47 -4.248 -6.467 -15.651 295 H HIS 48 H HIS 48 -4.602 -4.131 -18.215 296 HA HIS 48 HA HIS 48 -6.102 -6.153 -19.729 297 HB2 HIS 48 HB2 HIS 48 -6.162 -3.187 -20.334 298 HB3 HIS 48 HB3 HIS 48 -6.797 -4.440 -21.388 299 HD1 HIS 48 HD1 HIS 48 -7.744 -2.202 -18.694 300 HD2 HIS 48 HD2 HIS 48 -9.068 -5.856 -20.162 301 HE1 HIS 48 HE1 HIS 48 -10.065 -2.492 -17.783 302 HE2 HIS 48 HE2 HIS 48 -10.931 -4.544 -18.954 303 H CYS 49 H CYS 49 -3.257 -5.995 -19.149 304 HA CYS 49 HA CYS 49 -1.963 -4.868 -21.460 305 HB2 CYS 49 HB2 CYS 49 0.091 -5.792 -20.520 306 HB3 CYS 49 HB3 CYS 49 -0.830 -4.942 -19.283 307 H GLU 50 H GLU 50 -1.051 -5.934 -23.206 308 HA GLU 50 HA GLU 50 -0.889 -7.474 -24.873 309 HB2 GLU 50 HB2 GLU 50 -0.658 -9.290 -22.466 310 HB3 GLU 50 HB3 GLU 50 -0.413 -9.847 -24.112 311 HG2 GLU 50 HG2 GLU 50 1.163 -7.483 -23.407 312 HG3 GLU 50 HG3 GLU 50 1.540 -8.914 -22.454 313 H ARG 51 H ARG 51 -3.526 -6.706 -24.031 314 HA ARG 51 HA ARG 51 -5.209 -9.012 -23.979 315 HB2 ARG 51 HB2 ARG 51 -7.089 -7.425 -24.113 316 HB3 ARG 51 HB3 ARG 51 -5.943 -6.991 -22.860 317 HG2 ARG 51 HG2 ARG 51 -6.443 -4.940 -23.802 318 HG3 ARG 51 HG3 ARG 51 -4.971 -5.379 -24.661 319 HD2 ARG 51 HD2 ARG 51 -6.762 -4.463 -26.134 320 HD3 ARG 51 HD3 ARG 51 -6.231 -6.083 -26.584 321 HE ARG 51 HE ARG 51 -8.617 -5.759 -24.909 322 HH11 ARG 51 HH11 ARG 51 -7.204 -6.648 -27.994 323 HH12 ARG 51 HH12 ARG 51 -8.591 -7.540 -28.515 324 HH21 ARG 51 HH21 ARG 51 -10.457 -6.923 -25.610 325 HH22 ARG 51 HH22 ARG 51 -10.445 -7.699 -27.156 326 H SER 52 H SER 52 -3.664 -7.347 -26.470 327 HA SER 52 HA SER 52 -5.596 -8.188 -28.484 328 HB2 SER 52 HB2 SER 52 -2.962 -6.746 -28.856 329 HB3 SER 52 HB3 SER 52 -4.255 -6.918 -30.047 330 HG SER 52 HG SER 52 -4.052 -5.233 -27.855 Start of MODEL 12 1 HA ASN 1 HA ASN 1 8.930 2.649 -4.505 2 HB2 ASN 1 HB2 ASN 1 9.957 0.494 -3.817 3 HB3 ASN 1 HB3 ASN 1 9.130 -0.309 -5.145 4 HD21 ASN 1 HD21 ASN 1 11.674 1.890 -4.261 5 HD22 ASN 1 HD22 ASN 1 12.488 1.873 -5.788 6 H GLU 2 H GLU 2 9.184 3.342 -6.614 7 HA GLU 2 HA GLU 2 6.859 3.068 -8.291 8 HB2 GLU 2 HB2 GLU 2 9.426 4.616 -8.704 9 HB3 GLU 2 HB3 GLU 2 7.985 4.758 -9.699 10 HG2 GLU 2 HG2 GLU 2 6.730 5.618 -7.807 11 HG3 GLU 2 HG3 GLU 2 8.132 5.410 -6.761 12 H LEU 3 H LEU 3 8.090 0.621 -8.080 13 HA LEU 3 HA LEU 3 9.794 0.103 -10.355 14 HB2 LEU 3 HB2 LEU 3 9.574 -1.107 -7.993 15 HB3 LEU 3 HB3 LEU 3 8.360 -2.040 -8.837 16 HG LEU 3 HG LEU 3 11.284 -1.846 -9.582 17 HD11 LEU 3 HD11 LEU 3 11.367 -4.191 -8.902 18 HD12 LEU 3 HD12 LEU 3 9.682 -4.101 -8.393 19 HD13 LEU 3 HD13 LEU 3 10.905 -3.137 -7.566 20 HD21 LEU 3 HD21 LEU 3 10.802 -3.594 -11.213 21 HD22 LEU 3 HD22 LEU 3 9.873 -2.135 -11.561 22 HD23 LEU 3 HD23 LEU 3 9.090 -3.519 -10.801 23 H ARG 4 H ARG 4 8.967 0.029 -12.337 24 HA ARG 4 HA ARG 4 6.145 -0.608 -12.689 25 HB2 ARG 4 HB2 ARG 4 6.468 0.234 -15.019 26 HB3 ARG 4 HB3 ARG 4 6.836 1.426 -13.785 27 HG2 ARG 4 HG2 ARG 4 8.563 1.726 -15.289 28 HG3 ARG 4 HG3 ARG 4 9.293 0.639 -14.110 29 HD2 ARG 4 HD2 ARG 4 8.590 -1.259 -15.622 30 HD3 ARG 4 HD3 ARG 4 8.201 -0.042 -16.833 31 HE ARG 4 HE ARG 4 10.548 0.608 -16.773 32 HH11 ARG 4 HH11 ARG 4 9.662 -2.452 -15.347 33 HH12 ARG 4 HH12 ARG 4 11.181 -3.207 -15.705 34 HH21 ARG 4 HH21 ARG 4 12.596 -0.348 -17.176 35 HH22 ARG 4 HH22 ARG 4 12.852 -2.004 -16.719 36 H CYS 5 H CYS 5 5.394 -2.264 -13.962 37 HA CYS 5 HA CYS 5 6.975 -4.593 -14.141 38 HB2 CYS 5 HB2 CYS 5 4.483 -4.552 -13.927 39 HB3 CYS 5 HB3 CYS 5 4.394 -3.974 -15.585 40 H GLY 6 H GLY 6 7.524 -5.760 -16.123 41 HA2 GLY 6 HA2 GLY 6 8.943 -4.071 -17.936 42 HA3 GLY 6 HA3 GLY 6 8.842 -5.820 -18.011 43 H CYS 7 H CYS 7 5.748 -5.290 -18.000 44 HA CYS 7 HA CYS 7 5.429 -5.508 -20.813 45 HB2 CYS 7 HB2 CYS 7 3.763 -5.748 -18.459 46 HB3 CYS 7 HB3 CYS 7 2.933 -4.860 -19.729 47 HA PRO 8 HA PRO 8 5.054 -1.371 -22.291 48 HB2 PRO 8 HB2 PRO 8 2.414 -2.068 -23.453 49 HB3 PRO 8 HB3 PRO 8 3.850 -1.415 -24.246 50 HG2 PRO 8 HG2 PRO 8 3.160 -3.960 -24.577 51 HG3 PRO 8 HG3 PRO 8 4.861 -3.493 -24.410 52 HD2 PRO 8 HD2 PRO 8 3.033 -4.741 -22.406 53 HD3 PRO 8 HD3 PRO 8 4.756 -5.048 -22.713 54 H ASP 9 H ASP 9 1.834 -2.574 -21.259 55 HA ASP 9 HA ASP 9 1.683 -0.235 -19.535 56 HB2 ASP 9 HB2 ASP 9 0.460 0.319 -21.633 57 HB3 ASP 9 HB3 ASP 9 -0.631 -1.026 -21.301 58 H CYS 10 H CYS 10 2.146 -1.743 -17.932 59 HA CYS 10 HA CYS 10 -0.163 -3.383 -17.154 60 HB2 CYS 10 HB2 CYS 10 2.310 -4.327 -17.486 61 HB3 CYS 10 HB3 CYS 10 2.518 -3.674 -15.867 62 H HIS 11 H HIS 11 -0.567 -3.357 -14.741 63 HA HIS 11 HA HIS 11 0.268 -0.824 -13.500 64 HB2 HIS 11 HB2 HIS 11 -1.883 -0.548 -14.849 65 HB3 HIS 11 HB3 HIS 11 -2.644 -1.616 -13.680 66 HD2 HIS 11 HD2 HIS 11 -1.012 1.968 -13.737 67 HE1 HIS 11 HE1 HIS 11 -3.619 1.661 -10.412 68 HE2 HIS 11 HE2 HIS 11 -2.313 3.218 -11.891 69 H CYS 12 H CYS 12 1.197 -3.257 -12.684 70 HA CYS 12 HA CYS 12 -0.440 -3.825 -10.313 71 HB2 CYS 12 HB2 CYS 12 1.251 -5.752 -11.869 72 HB3 CYS 12 HB3 CYS 12 0.334 -6.125 -10.409 73 H LYS 13 H LYS 13 0.498 -4.261 -8.409 74 HA LYS 13 HA LYS 13 2.976 -2.977 -7.852 75 HB2 LYS 13 HB2 LYS 13 2.541 -3.751 -5.530 76 HB3 LYS 13 HB3 LYS 13 1.183 -2.887 -6.235 77 HG2 LYS 13 HG2 LYS 13 -0.011 -4.929 -6.611 78 HG3 LYS 13 HG3 LYS 13 1.392 -5.889 -6.146 79 HD2 LYS 13 HD2 LYS 13 1.246 -4.969 -3.878 80 HD3 LYS 13 HD3 LYS 13 -0.184 -4.049 -4.355 81 HE2 LYS 13 HE2 LYS 13 -1.355 -6.126 -4.864 82 HE3 LYS 13 HE3 LYS 13 0.075 -7.052 -4.417 83 HZ1 LYS 13 HZ1 LYS 13 -1.551 -6.976 -2.635 84 HZ2 LYS 13 HZ2 LYS 13 -1.468 -5.291 -2.598 85 HZ3 LYS 13 HZ3 LYS 13 -0.118 -6.212 -2.175 86 H VAL 14 H VAL 14 4.894 -3.891 -8.206 87 HA VAL 14 HA VAL 14 5.131 -6.771 -7.803 88 HB VAL 14 HB VAL 14 5.653 -6.229 -10.071 89 HG11 VAL 14 HG11 VAL 14 7.398 -4.667 -10.731 90 HG12 VAL 14 HG12 VAL 14 7.619 -4.203 -9.042 91 HG13 VAL 14 HG13 VAL 14 6.091 -3.867 -9.858 92 HG21 VAL 14 HG21 VAL 14 7.986 -6.988 -10.249 93 HG22 VAL 14 HG22 VAL 14 7.059 -7.927 -9.079 94 HG23 VAL 14 HG23 VAL 14 8.196 -6.698 -8.522 95 H ASP 15 H ASP 15 6.109 -7.379 -6.020 96 HA ASP 15 HA ASP 15 7.554 -5.457 -4.388 97 HB2 ASP 15 HB2 ASP 15 7.161 -8.387 -3.781 98 HB3 ASP 15 HB3 ASP 15 7.474 -7.083 -2.647 99 HA PRO 16 HA PRO 16 11.585 -6.636 -5.987 100 HB2 PRO 16 HB2 PRO 16 12.390 -5.715 -3.265 101 HB3 PRO 16 HB3 PRO 16 13.062 -5.283 -4.844 102 HG2 PRO 16 HG2 PRO 16 11.494 -3.579 -3.564 103 HG3 PRO 16 HG3 PRO 16 11.335 -3.795 -5.316 104 HD2 PRO 16 HD2 PRO 16 9.605 -4.832 -3.113 105 HD3 PRO 16 HD3 PRO 16 9.150 -4.221 -4.717 106 H GLU 17 H GLU 17 10.415 -7.600 -2.763 107 HA GLU 17 HA GLU 17 12.390 -9.577 -2.305 108 HB2 GLU 17 HB2 GLU 17 9.639 -9.196 -1.126 109 HB3 GLU 17 HB3 GLU 17 10.711 -10.495 -0.630 110 HG2 GLU 17 HG2 GLU 17 12.399 -8.793 0.009 111 HG3 GLU 17 HG3 GLU 17 11.224 -7.540 -0.380 112 H ARG 18 H ARG 18 9.314 -9.660 -3.981 113 HA ARG 18 HA ARG 18 9.848 -12.468 -4.705 114 HB2 ARG 18 HB2 ARG 18 7.362 -12.721 -4.957 115 HB3 ARG 18 HB3 ARG 18 7.930 -12.533 -3.305 116 HG2 ARG 18 HG2 ARG 18 7.084 -10.380 -3.130 117 HG3 ARG 18 HG3 ARG 18 6.965 -10.186 -4.881 118 HD2 ARG 18 HD2 ARG 18 5.357 -12.199 -3.348 119 HD3 ARG 18 HD3 ARG 18 4.792 -10.553 -3.636 120 HE ARG 18 HE ARG 18 5.074 -12.692 -5.598 121 HH11 ARG 18 HH11 ARG 18 4.365 -9.286 -4.973 122 HH12 ARG 18 HH12 ARG 18 3.608 -9.052 -6.513 123 HH21 ARG 18 HH21 ARG 18 4.069 -12.338 -7.640 124 HH22 ARG 18 HH22 ARG 18 3.455 -10.768 -8.038 125 H VAL 19 H VAL 19 10.768 -10.169 -6.053 126 HA VAL 19 HA VAL 19 9.097 -9.551 -8.263 127 HB VAL 19 HB VAL 19 10.870 -8.025 -7.417 128 HG11 VAL 19 HG11 VAL 19 12.767 -10.027 -8.631 129 HG12 VAL 19 HG12 VAL 19 12.612 -9.626 -6.920 130 HG13 VAL 19 HG13 VAL 19 13.211 -8.420 -8.059 131 HG21 VAL 19 HG21 VAL 19 11.170 -8.835 -10.303 132 HG22 VAL 19 HG22 VAL 19 11.705 -7.305 -9.607 133 HG23 VAL 19 HG23 VAL 19 9.987 -7.702 -9.651 134 H PHE 20 H PHE 20 9.147 -10.332 -10.334 135 HA PHE 20 HA PHE 20 10.655 -12.807 -10.722 136 HB2 PHE 20 HB2 PHE 20 8.220 -11.687 -12.110 137 HB3 PHE 20 HB3 PHE 20 9.118 -13.075 -12.728 138 HD1 PHE 20 HD1 PHE 20 7.605 -11.897 -9.513 139 HD2 PHE 20 HD2 PHE 20 8.342 -15.159 -12.145 140 HE1 PHE 20 HE1 PHE 20 6.330 -13.377 -8.029 141 HE2 PHE 20 HE2 PHE 20 7.061 -16.646 -10.662 142 HZ PHE 20 HZ PHE 20 6.054 -15.757 -8.604 143 H ASN 21 H ASN 21 12.524 -12.507 -11.566 144 HA ASN 21 HA ASN 21 12.917 -10.290 -13.415 145 HB2 ASN 21 HB2 ASN 21 14.480 -10.401 -11.549 146 HB3 ASN 21 HB3 ASN 21 14.921 -12.047 -11.991 147 HD21 ASN 21 HD21 ASN 21 16.170 -12.391 -13.841 148 HD22 ASN 21 HD22 ASN 21 17.104 -11.126 -14.559 149 H HIS 22 H HIS 22 12.711 -10.718 -15.438 150 HA HIS 22 HA HIS 22 13.996 -13.097 -16.510 151 HB2 HIS 22 HB2 HIS 22 11.437 -13.405 -16.109 152 HB3 HIS 22 HB3 HIS 22 11.260 -12.342 -17.499 153 HD2 HIS 22 HD2 HIS 22 11.603 -13.548 -19.955 154 HE1 HIS 22 HE1 HIS 22 12.801 -17.349 -18.502 155 HE2 HIS 22 HE2 HIS 22 11.928 -16.066 -20.476 156 H ASP 23 H ASP 23 15.030 -12.683 -18.392 157 HA ASP 23 HA ASP 23 15.961 -11.511 -20.099 158 HB2 ASP 23 HB2 ASP 23 13.299 -10.059 -20.104 159 HB3 ASP 23 HB3 ASP 23 14.548 -9.827 -21.321 160 H GLY 24 H GLY 24 16.120 -10.658 -17.276 161 HA2 GLY 24 HA2 GLY 24 17.347 -9.059 -16.168 162 HA3 GLY 24 HA3 GLY 24 17.559 -8.225 -17.701 163 H GLU 25 H GLU 25 14.336 -8.966 -16.887 164 HA GLU 25 HA GLU 25 13.939 -6.202 -15.998 165 HB2 GLU 25 HB2 GLU 25 12.798 -7.613 -18.229 166 HB3 GLU 25 HB3 GLU 25 11.538 -7.082 -17.121 167 HG2 GLU 25 HG2 GLU 25 13.582 -5.415 -18.535 168 HG3 GLU 25 HG3 GLU 25 11.824 -5.354 -18.685 169 H ALA 26 H ALA 26 11.822 -5.878 -14.926 170 HA ALA 26 HA ALA 26 11.352 -8.056 -13.000 171 HB1 ALA 26 HB1 ALA 26 11.074 -5.072 -12.654 172 HB2 ALA 26 HB2 ALA 26 12.361 -6.082 -11.992 173 HB3 ALA 26 HB3 ALA 26 10.702 -6.283 -11.427 174 H TYR 27 H TYR 27 9.433 -8.981 -13.174 175 HA TYR 27 HA TYR 27 7.218 -7.411 -14.317 176 HB2 TYR 27 HB2 TYR 27 7.724 -10.377 -14.573 177 HB3 TYR 27 HB3 TYR 27 6.337 -9.515 -15.225 178 HD1 TYR 27 HD1 TYR 27 9.914 -10.204 -15.621 179 HD2 TYR 27 HD2 TYR 27 6.576 -8.069 -17.174 180 HE1 TYR 27 HE1 TYR 27 11.153 -9.782 -17.694 181 HE2 TYR 27 HE2 TYR 27 7.800 -7.644 -19.254 182 HH TYR 27 HH TYR 27 10.782 -9.237 -19.975 183 H CYS 28 H CYS 28 5.064 -7.979 -13.555 184 HA CYS 28 HA CYS 28 5.046 -8.306 -10.709 185 HB2 CYS 28 HB2 CYS 28 2.676 -7.890 -10.850 186 HB3 CYS 28 HB3 CYS 28 3.501 -6.783 -11.937 187 H SER 29 H SER 29 4.475 -10.349 -13.437 188 HA SER 29 HA SER 29 3.950 -12.597 -11.645 189 HB2 SER 29 HB2 SER 29 1.763 -11.916 -12.416 190 HB3 SER 29 HB3 SER 29 2.324 -11.842 -14.083 191 HG SER 29 HG SER 29 1.902 -14.114 -12.451 192 H GLN 30 H GLN 30 4.393 -14.676 -12.616 193 HA GLN 30 HA GLN 30 6.724 -14.681 -14.211 194 HB2 GLN 30 HB2 GLN 30 6.402 -17.177 -14.262 195 HB3 GLN 30 HB3 GLN 30 6.446 -16.475 -12.655 196 HG2 GLN 30 HG2 GLN 30 3.961 -16.577 -12.611 197 HG3 GLN 30 HG3 GLN 30 4.013 -17.417 -14.160 198 HE21 GLN 30 HE21 GLN 30 2.991 -18.342 -11.596 199 HE22 GLN 30 HE22 GLN 30 3.864 -19.780 -11.207 200 H ALA 31 H ALA 31 3.409 -14.545 -14.973 201 HA ALA 31 HA ALA 31 3.534 -15.672 -17.584 202 HB1 ALA 31 HB1 ALA 31 1.553 -13.699 -16.437 203 HB2 ALA 31 HB2 ALA 31 1.417 -15.457 -16.374 204 HB3 ALA 31 HB3 ALA 31 1.348 -14.628 -17.924 205 H CYS 32 H CYS 32 3.543 -12.322 -16.387 206 HA CYS 32 HA CYS 32 3.886 -11.034 -18.879 207 HB2 CYS 32 HB2 CYS 32 4.502 -10.195 -16.043 208 HB3 CYS 32 HB3 CYS 32 4.988 -9.185 -17.392 209 H ALA 33 H ALA 33 6.110 -12.349 -16.534 210 HA ALA 33 HA ALA 33 8.529 -11.361 -17.408 211 HB1 ALA 33 HB1 ALA 33 8.276 -12.611 -15.348 212 HB2 ALA 33 HB2 ALA 33 9.527 -13.337 -16.359 213 HB3 ALA 33 HB3 ALA 33 7.933 -14.079 -16.260 214 H GLU 34 H GLU 34 6.680 -14.055 -18.646 215 HA GLU 34 HA GLU 34 8.764 -14.524 -20.645 216 HB2 GLU 34 HB2 GLU 34 6.674 -16.246 -19.410 217 HB3 GLU 34 HB3 GLU 34 7.466 -16.729 -20.922 218 HG2 GLU 34 HG2 GLU 34 9.662 -16.425 -19.692 219 HG3 GLU 34 HG3 GLU 34 8.712 -16.283 -18.221 220 H GLN 35 H GLN 35 6.573 -12.473 -20.670 221 HA GLN 35 HA GLN 35 5.107 -11.530 -22.116 222 HB2 GLN 35 HB2 GLN 35 6.705 -13.201 -24.063 223 HB3 GLN 35 HB3 GLN 35 5.472 -12.061 -24.575 224 HG2 GLN 35 HG2 GLN 35 7.483 -10.897 -24.804 225 HG3 GLN 35 HG3 GLN 35 6.802 -10.300 -23.295 226 HE21 GLN 35 HE21 GLN 35 8.789 -9.654 -22.517 227 HE22 GLN 35 HE22 GLN 35 9.992 -10.779 -21.987 228 H HIS 36 H HIS 36 4.204 -13.800 -20.738 229 HA HIS 36 HA HIS 36 2.452 -15.227 -20.603 230 HB2 HIS 36 HB2 HIS 36 1.272 -13.703 -22.939 231 HB3 HIS 36 HB3 HIS 36 0.404 -14.558 -21.667 232 HD1 HIS 36 HD1 HIS 36 0.263 -13.379 -19.336 233 HD2 HIS 36 HD2 HIS 36 2.093 -11.110 -22.300 234 HE1 HIS 36 HE1 HIS 36 0.462 -11.049 -18.387 235 HA PRO 37 HA PRO 37 4.213 -17.769 -24.102 236 HB2 PRO 37 HB2 PRO 37 4.713 -19.959 -22.536 237 HB3 PRO 37 HB3 PRO 37 5.862 -18.638 -22.772 238 HG2 PRO 37 HG2 PRO 37 3.974 -19.123 -20.501 239 HG3 PRO 37 HG3 PRO 37 5.665 -18.590 -20.456 240 HD2 PRO 37 HD2 PRO 37 3.626 -16.867 -20.149 241 HD3 PRO 37 HD3 PRO 37 5.120 -16.404 -20.989 242 H ASN 38 H ASN 38 1.892 -18.637 -21.590 243 HA ASN 38 HA ASN 38 0.670 -20.576 -23.417 244 HB2 ASN 38 HB2 ASN 38 0.671 -20.270 -20.465 245 HB3 ASN 38 HB3 ASN 38 -0.753 -20.987 -21.215 246 HD21 ASN 38 HD21 ASN 38 2.662 -21.320 -20.660 247 HD22 ASN 38 HD22 ASN 38 2.754 -22.984 -21.103 248 H GLY 39 H GLY 39 0.448 -17.466 -23.157 249 HA2 GLY 39 HA2 GLY 39 -1.194 -15.994 -23.830 250 HA3 GLY 39 HA3 GLY 39 -2.308 -17.349 -23.943 251 H GLU 40 H GLU 40 -0.965 -17.524 -20.961 252 HA GLU 40 HA GLU 40 -3.340 -16.519 -19.735 253 HB2 GLU 40 HB2 GLU 40 -2.092 -17.225 -17.575 254 HB3 GLU 40 HB3 GLU 40 -2.633 -18.467 -18.679 255 HG2 GLU 40 HG2 GLU 40 -0.315 -18.540 -19.616 256 HG3 GLU 40 HG3 GLU 40 0.170 -17.429 -18.337 257 HA PRO 41 HA PRO 41 -1.697 -12.393 -19.177 258 HB2 PRO 41 HB2 PRO 41 -3.902 -11.393 -17.947 259 HB3 PRO 41 HB3 PRO 41 -3.828 -11.661 -19.693 260 HG2 PRO 41 HG2 PRO 41 -5.020 -13.397 -17.566 261 HG3 PRO 41 HG3 PRO 41 -5.702 -12.926 -19.134 262 HD2 PRO 41 HD2 PRO 41 -4.549 -15.312 -18.758 263 HD3 PRO 41 HD3 PRO 41 -4.398 -14.441 -20.297 264 H CYS 42 H CYS 42 -1.876 -10.808 -17.153 265 HA CYS 42 HA CYS 42 -0.707 -12.281 -14.967 266 HB2 CYS 42 HB2 CYS 42 -0.115 -10.106 -14.053 267 HB3 CYS 42 HB3 CYS 42 0.236 -10.109 -15.772 268 HA PRO 43 HA PRO 43 -4.246 -12.528 -12.328 269 HB2 PRO 43 HB2 PRO 43 -3.225 -12.042 -9.867 270 HB3 PRO 43 HB3 PRO 43 -2.882 -13.524 -10.769 271 HG2 PRO 43 HG2 PRO 43 -1.220 -11.051 -10.485 272 HG3 PRO 43 HG3 PRO 43 -0.721 -12.750 -10.389 273 HD2 PRO 43 HD2 PRO 43 -0.356 -11.259 -12.604 274 HD3 PRO 43 HD3 PRO 43 -0.685 -12.999 -12.679 275 H ALA 44 H ALA 44 -4.382 -10.099 -13.579 276 HA ALA 44 HA ALA 44 -5.537 -8.447 -11.457 277 HB1 ALA 44 HB1 ALA 44 -4.668 -6.407 -12.479 278 HB2 ALA 44 HB2 ALA 44 -3.797 -7.370 -13.673 279 HB3 ALA 44 HB3 ALA 44 -3.357 -7.470 -11.968 280 HA PRO 45 HA PRO 45 -8.784 -9.070 -14.569 281 HB2 PRO 45 HB2 PRO 45 -10.454 -7.791 -12.505 282 HB3 PRO 45 HB3 PRO 45 -10.628 -9.379 -13.257 283 HG2 PRO 45 HG2 PRO 45 -9.838 -9.102 -10.705 284 HG3 PRO 45 HG3 PRO 45 -9.218 -10.399 -11.740 285 HD2 PRO 45 HD2 PRO 45 -7.922 -7.825 -10.939 286 HD3 PRO 45 HD3 PRO 45 -7.215 -9.448 -11.091 287 H ASP 46 H ASP 46 -7.853 -6.222 -12.846 288 HA ASP 46 HA ASP 46 -9.467 -4.421 -14.423 289 HB2 ASP 46 HB2 ASP 46 -7.331 -3.960 -12.350 290 HB3 ASP 46 HB3 ASP 46 -8.137 -2.652 -13.209 291 H CYS 47 H CYS 47 -6.506 -5.977 -14.805 292 HA CYS 47 HA CYS 47 -5.358 -3.811 -16.350 293 HB2 CYS 47 HB2 CYS 47 -4.044 -5.207 -14.704 294 HB3 CYS 47 HB3 CYS 47 -4.162 -6.523 -15.870 295 H HIS 48 H HIS 48 -4.509 -4.216 -18.521 296 HA HIS 48 HA HIS 48 -5.968 -6.293 -20.000 297 HB2 HIS 48 HB2 HIS 48 -5.976 -3.360 -20.754 298 HB3 HIS 48 HB3 HIS 48 -6.634 -4.661 -21.734 299 HD1 HIS 48 HD1 HIS 48 -8.931 -5.638 -21.014 300 HD2 HIS 48 HD2 HIS 48 -7.559 -2.560 -18.584 301 HE1 HIS 48 HE1 HIS 48 -10.898 -4.949 -19.627 302 HE2 HIS 48 HE2 HIS 48 -10.088 -2.992 -18.269 303 H CYS 49 H CYS 49 -3.068 -5.784 -19.287 304 HA CYS 49 HA CYS 49 -1.714 -4.918 -21.609 305 HB2 CYS 49 HB2 CYS 49 0.282 -5.923 -20.625 306 HB3 CYS 49 HB3 CYS 49 -0.637 -5.054 -19.400 307 H GLU 50 H GLU 50 -1.093 -5.935 -23.430 308 HA GLU 50 HA GLU 50 -1.019 -7.417 -25.126 309 HB2 GLU 50 HB2 GLU 50 0.417 -8.653 -23.415 310 HB3 GLU 50 HB3 GLU 50 -0.993 -9.647 -23.081 311 HG2 GLU 50 HG2 GLU 50 -1.026 -10.419 -25.386 312 HG3 GLU 50 HG3 GLU 50 0.332 -9.369 -25.773 313 H ARG 51 H ARG 51 -3.651 -6.990 -23.376 314 HA ARG 51 HA ARG 51 -5.315 -9.095 -24.556 315 HB2 ARG 51 HB2 ARG 51 -5.869 -6.886 -22.577 316 HB3 ARG 51 HB3 ARG 51 -7.147 -7.864 -23.274 317 HG2 ARG 51 HG2 ARG 51 -4.842 -9.046 -21.756 318 HG3 ARG 51 HG3 ARG 51 -6.333 -8.514 -20.979 319 HD2 ARG 51 HD2 ARG 51 -7.456 -10.036 -22.804 320 HD3 ARG 51 HD3 ARG 51 -5.867 -10.803 -22.840 321 HE ARG 51 HE ARG 51 -6.627 -10.581 -20.177 322 HH11 ARG 51 HH11 ARG 51 -7.616 -12.288 -23.062 323 HH12 ARG 51 HH12 ARG 51 -8.378 -13.583 -22.207 324 HH21 ARG 51 HH21 ARG 51 -7.643 -12.282 -19.024 325 HH22 ARG 51 HH22 ARG 51 -8.395 -13.577 -19.889 326 H SER 52 H SER 52 -3.977 -6.797 -26.010 327 HA SER 52 HA SER 52 -5.865 -4.893 -26.810 328 HB2 SER 52 HB2 SER 52 -3.596 -5.937 -28.497 329 HB3 SER 52 HB3 SER 52 -4.315 -4.324 -28.525 330 HG SER 52 HG SER 52 -3.591 -4.248 -26.219 Start of MODEL 13 1 HA ASN 1 HA ASN 1 10.464 5.270 -6.332 2 HB2 ASN 1 HB2 ASN 1 11.659 3.239 -6.803 3 HB3 ASN 1 HB3 ASN 1 12.153 3.773 -5.200 4 HD21 ASN 1 HD21 ASN 1 11.548 2.569 -3.409 5 HD22 ASN 1 HD22 ASN 1 10.896 0.975 -3.540 6 H GLU 2 H GLU 2 9.840 3.819 -8.200 7 HA GLU 2 HA GLU 2 7.242 2.542 -7.740 8 HB2 GLU 2 HB2 GLU 2 7.959 4.426 -9.988 9 HB3 GLU 2 HB3 GLU 2 6.511 3.433 -9.957 10 HG2 GLU 2 HG2 GLU 2 5.770 4.590 -7.939 11 HG3 GLU 2 HG3 GLU 2 7.221 5.592 -7.990 12 H LEU 3 H LEU 3 7.917 0.480 -7.935 13 HA LEU 3 HA LEU 3 9.733 -0.353 -9.985 14 HB2 LEU 3 HB2 LEU 3 9.251 -1.437 -7.664 15 HB3 LEU 3 HB3 LEU 3 7.862 -2.154 -8.447 16 HG LEU 3 HG LEU 3 10.723 -2.588 -9.327 17 HD11 LEU 3 HD11 LEU 3 10.361 -3.507 -7.107 18 HD12 LEU 3 HD12 LEU 3 10.513 -4.795 -8.301 19 HD13 LEU 3 HD13 LEU 3 8.924 -4.354 -7.677 20 HD21 LEU 3 HD21 LEU 3 9.128 -2.925 -11.130 21 HD22 LEU 3 HD22 LEU 3 8.152 -3.966 -10.096 22 HD23 LEU 3 HD23 LEU 3 9.766 -4.478 -10.588 23 H ARG 4 H ARG 4 9.160 -0.438 -12.029 24 HA ARG 4 HA ARG 4 6.329 -0.806 -12.657 25 HB2 ARG 4 HB2 ARG 4 6.853 0.193 -14.851 26 HB3 ARG 4 HB3 ARG 4 7.219 1.265 -13.511 27 HG2 ARG 4 HG2 ARG 4 9.596 0.672 -13.709 28 HG3 ARG 4 HG3 ARG 4 9.206 -0.350 -15.095 29 HD2 ARG 4 HD2 ARG 4 8.771 2.626 -14.885 30 HD3 ARG 4 HD3 ARG 4 10.030 1.826 -15.825 31 HE ARG 4 HE ARG 4 7.645 0.775 -16.724 32 HH11 ARG 4 HH11 ARG 4 9.122 3.952 -16.585 33 HH12 ARG 4 HH12 ARG 4 8.261 4.554 -17.960 34 HH21 ARG 4 HH21 ARG 4 6.506 1.555 -18.535 35 HH22 ARG 4 HH22 ARG 4 6.750 3.182 -19.073 36 H CYS 5 H CYS 5 5.631 -2.367 -13.958 37 HA CYS 5 HA CYS 5 7.284 -4.655 -14.305 38 HB2 CYS 5 HB2 CYS 5 4.803 -4.682 -13.819 39 HB3 CYS 5 HB3 CYS 5 4.535 -4.124 -15.464 40 H GLY 6 H GLY 6 8.120 -5.470 -16.243 41 HA2 GLY 6 HA2 GLY 6 8.941 -3.648 -18.205 42 HA3 GLY 6 HA3 GLY 6 9.027 -5.395 -18.346 43 H CYS 7 H CYS 7 5.925 -5.284 -17.952 44 HA CYS 7 HA CYS 7 5.310 -5.441 -20.700 45 HB2 CYS 7 HB2 CYS 7 3.981 -5.993 -18.229 46 HB3 CYS 7 HB3 CYS 7 2.914 -5.050 -19.266 47 HA PRO 8 HA PRO 8 4.559 -1.249 -21.743 48 HB2 PRO 8 HB2 PRO 8 2.481 -2.029 -23.640 49 HB3 PRO 8 HB3 PRO 8 4.103 -1.413 -23.959 50 HG2 PRO 8 HG2 PRO 8 3.392 -3.975 -24.479 51 HG3 PRO 8 HG3 PRO 8 5.036 -3.515 -24.005 52 HD2 PRO 8 HD2 PRO 8 2.849 -4.712 -22.344 53 HD3 PRO 8 HD3 PRO 8 4.584 -5.089 -22.374 54 H ASP 9 H ASP 9 1.480 -3.076 -21.542 55 HA ASP 9 HA ASP 9 0.170 -0.592 -20.717 56 HB2 ASP 9 HB2 ASP 9 -0.777 -2.002 -22.589 57 HB3 ASP 9 HB3 ASP 9 -1.168 -3.217 -21.379 58 H CYS 10 H CYS 10 1.692 -3.033 -19.229 59 HA CYS 10 HA CYS 10 -0.232 -3.420 -17.081 60 HB2 CYS 10 HB2 CYS 10 0.996 -5.371 -17.928 61 HB3 CYS 10 HB3 CYS 10 2.511 -4.592 -17.487 62 H HIS 11 H HIS 11 0.065 -2.781 -15.016 63 HA HIS 11 HA HIS 11 2.378 -1.815 -13.867 64 HB2 HIS 11 HB2 HIS 11 1.920 0.626 -13.652 65 HB3 HIS 11 HB3 HIS 11 2.262 0.145 -15.304 66 HD2 HIS 11 HD2 HIS 11 -0.509 -0.432 -16.580 67 HE1 HIS 11 HE1 HIS 11 -1.920 3.121 -14.742 68 HE2 HIS 11 HE2 HIS 11 -2.199 1.530 -16.676 69 H CYS 12 H CYS 12 1.562 -3.205 -12.313 70 HA CYS 12 HA CYS 12 -0.461 -1.972 -10.616 71 HB2 CYS 12 HB2 CYS 12 -1.452 -4.212 -10.211 72 HB3 CYS 12 HB3 CYS 12 -1.627 -3.660 -11.873 73 H LYS 13 H LYS 13 -0.552 -3.825 -8.629 74 HA LYS 13 HA LYS 13 1.749 -3.215 -7.124 75 HB2 LYS 13 HB2 LYS 13 -0.620 -3.569 -6.309 76 HB3 LYS 13 HB3 LYS 13 -0.360 -5.290 -6.520 77 HG2 LYS 13 HG2 LYS 13 1.265 -5.343 -4.806 78 HG3 LYS 13 HG3 LYS 13 1.342 -3.578 -4.740 79 HD2 LYS 13 HD2 LYS 13 -0.944 -3.472 -3.922 80 HD3 LYS 13 HD3 LYS 13 -1.107 -5.222 -4.076 81 HE2 LYS 13 HE2 LYS 13 0.613 -5.543 -2.382 82 HE3 LYS 13 HE3 LYS 13 0.833 -3.799 -2.253 83 HZ1 LYS 13 HZ1 LYS 13 -0.566 -4.650 -0.485 84 HZ2 LYS 13 HZ2 LYS 13 -1.665 -5.274 -1.607 85 HZ3 LYS 13 HZ3 LYS 13 -1.443 -3.604 -1.477 86 H VAL 14 H VAL 14 3.646 -4.056 -7.731 87 HA VAL 14 HA VAL 14 3.967 -6.726 -8.785 88 HB VAL 14 HB VAL 14 6.011 -4.589 -8.086 89 HG11 VAL 14 HG11 VAL 14 7.625 -5.833 -9.375 90 HG12 VAL 14 HG12 VAL 14 6.428 -7.059 -9.760 91 HG13 VAL 14 HG13 VAL 14 6.982 -6.866 -8.098 92 HG21 VAL 14 HG21 VAL 14 4.823 -5.371 -10.747 93 HG22 VAL 14 HG22 VAL 14 6.112 -4.195 -10.512 94 HG23 VAL 14 HG23 VAL 14 4.503 -3.883 -9.858 95 H ASP 15 H ASP 15 5.173 -8.429 -7.812 96 HA ASP 15 HA ASP 15 5.385 -8.254 -4.890 97 HB2 ASP 15 HB2 ASP 15 5.311 -10.711 -6.676 98 HB3 ASP 15 HB3 ASP 15 5.524 -10.741 -4.939 99 HA PRO 16 HA PRO 16 9.816 -7.952 -5.945 100 HB2 PRO 16 HB2 PRO 16 9.980 -6.950 -3.190 101 HB3 PRO 16 HB3 PRO 16 10.461 -6.163 -4.697 102 HG2 PRO 16 HG2 PRO 16 8.317 -5.350 -3.309 103 HG3 PRO 16 HG3 PRO 16 8.349 -5.317 -5.083 104 HD2 PRO 16 HD2 PRO 16 7.089 -7.330 -3.251 105 HD3 PRO 16 HD3 PRO 16 6.431 -6.572 -4.717 106 H GLU 17 H GLU 17 8.198 -9.482 -3.238 107 HA GLU 17 HA GLU 17 10.463 -10.730 -2.094 108 HB2 GLU 17 HB2 GLU 17 7.532 -11.451 -1.993 109 HB3 GLU 17 HB3 GLU 17 8.763 -12.347 -1.120 110 HG2 GLU 17 HG2 GLU 17 9.383 -10.250 0.053 111 HG3 GLU 17 HG3 GLU 17 8.033 -9.452 -0.747 112 H ARG 18 H ARG 18 8.743 -11.338 -4.963 113 HA ARG 18 HA ARG 18 10.444 -13.620 -5.533 114 HB2 ARG 18 HB2 ARG 18 8.625 -15.057 -6.219 115 HB3 ARG 18 HB3 ARG 18 8.418 -14.609 -4.534 116 HG2 ARG 18 HG2 ARG 18 6.709 -13.030 -5.124 117 HG3 ARG 18 HG3 ARG 18 6.977 -13.343 -6.841 118 HD2 ARG 18 HD2 ARG 18 6.438 -15.766 -6.333 119 HD3 ARG 18 HD3 ARG 18 5.859 -15.205 -4.764 120 HE ARG 18 HE ARG 18 4.522 -13.607 -6.452 121 HH11 ARG 18 HH11 ARG 18 4.939 -17.094 -6.434 122 HH12 ARG 18 HH12 ARG 18 3.420 -17.403 -7.200 123 HH21 ARG 18 HH21 ARG 18 2.533 -14.020 -7.481 124 HH22 ARG 18 HH22 ARG 18 2.035 -15.648 -7.795 125 H VAL 19 H VAL 19 10.303 -10.906 -6.452 126 HA VAL 19 HA VAL 19 8.870 -10.596 -8.823 127 HB VAL 19 HB VAL 19 9.766 -8.666 -7.689 128 HG11 VAL 19 HG11 VAL 19 12.155 -8.121 -7.686 129 HG12 VAL 19 HG12 VAL 19 12.505 -9.684 -8.424 130 HG13 VAL 19 HG13 VAL 19 11.821 -9.610 -6.801 131 HG21 VAL 19 HG21 VAL 19 9.368 -8.426 -10.068 132 HG22 VAL 19 HG22 VAL 19 11.004 -8.984 -10.418 133 HG23 VAL 19 HG23 VAL 19 10.755 -7.453 -9.580 134 H PHE 20 H PHE 20 9.110 -11.290 -10.790 135 HA PHE 20 HA PHE 20 11.344 -13.018 -11.399 136 HB2 PHE 20 HB2 PHE 20 8.764 -12.413 -12.849 137 HB3 PHE 20 HB3 PHE 20 10.021 -13.450 -13.517 138 HD1 PHE 20 HD1 PHE 20 8.057 -13.063 -10.359 139 HD2 PHE 20 HD2 PHE 20 9.812 -15.713 -13.186 140 HE1 PHE 20 HE1 PHE 20 7.130 -14.973 -9.130 141 HE2 PHE 20 HE2 PHE 20 8.878 -17.634 -11.964 142 HZ PHE 20 HZ PHE 20 7.533 -17.268 -9.937 143 H ASN 21 H ASN 21 13.101 -12.094 -12.043 144 HA ASN 21 HA ASN 21 13.005 -9.672 -13.646 145 HB2 ASN 21 HB2 ASN 21 14.595 -9.776 -11.765 146 HB3 ASN 21 HB3 ASN 21 15.359 -11.186 -12.492 147 HD21 ASN 21 HD21 ASN 21 16.525 -10.923 -14.449 148 HD22 ASN 21 HD22 ASN 21 17.186 -9.383 -14.869 149 H HIS 22 H HIS 22 12.840 -9.913 -15.731 150 HA HIS 22 HA HIS 22 14.305 -12.120 -16.983 151 HB2 HIS 22 HB2 HIS 22 11.889 -12.639 -16.916 152 HB3 HIS 22 HB3 HIS 22 11.542 -11.133 -17.739 153 HD2 HIS 22 HD2 HIS 22 11.638 -11.249 -20.461 154 HE1 HIS 22 HE1 HIS 22 13.162 -15.191 -20.784 155 HE2 HIS 22 HE2 HIS 22 12.076 -13.278 -22.001 156 H ASP 23 H ASP 23 15.676 -11.484 -18.481 157 HA ASP 23 HA ASP 23 16.803 -10.251 -20.015 158 HB2 ASP 23 HB2 ASP 23 14.478 -10.212 -21.109 159 HB3 ASP 23 HB3 ASP 23 14.304 -8.596 -20.436 160 H GLY 24 H GLY 24 16.400 -9.428 -17.150 161 HA2 GLY 24 HA2 GLY 24 17.559 -7.823 -15.903 162 HA3 GLY 24 HA3 GLY 24 17.779 -6.880 -17.368 163 H GLU 25 H GLU 25 14.597 -7.732 -17.226 164 HA GLU 25 HA GLU 25 13.889 -5.213 -15.893 165 HB2 GLU 25 HB2 GLU 25 12.688 -6.642 -18.243 166 HB3 GLU 25 HB3 GLU 25 11.741 -5.485 -17.316 167 HG2 GLU 25 HG2 GLU 25 13.218 -3.725 -17.835 168 HG3 GLU 25 HG3 GLU 25 14.413 -4.825 -18.525 169 H ALA 26 H ALA 26 12.111 -5.158 -14.525 170 HA ALA 26 HA ALA 26 11.606 -7.702 -13.221 171 HB1 ALA 26 HB1 ALA 26 10.660 -6.343 -11.419 172 HB2 ALA 26 HB2 ALA 26 10.912 -4.891 -12.390 173 HB3 ALA 26 HB3 ALA 26 12.294 -5.836 -11.837 174 H TYR 27 H TYR 27 9.600 -8.562 -12.877 175 HA TYR 27 HA TYR 27 7.310 -7.300 -14.203 176 HB2 TYR 27 HB2 TYR 27 8.144 -10.201 -14.479 177 HB3 TYR 27 HB3 TYR 27 6.630 -9.531 -15.070 178 HD1 TYR 27 HD1 TYR 27 10.260 -9.720 -15.611 179 HD2 TYR 27 HD2 TYR 27 6.590 -8.114 -17.049 180 HE1 TYR 27 HE1 TYR 27 11.348 -9.130 -17.732 181 HE2 TYR 27 HE2 TYR 27 7.676 -7.534 -19.175 182 HH TYR 27 HH TYR 27 9.847 -7.135 -20.084 183 H CYS 28 H CYS 28 5.246 -7.956 -13.325 184 HA CYS 28 HA CYS 28 5.372 -8.362 -10.503 185 HB2 CYS 28 HB2 CYS 28 2.897 -8.282 -10.597 186 HB3 CYS 28 HB3 CYS 28 3.654 -6.923 -11.415 187 H SER 29 H SER 29 4.996 -10.463 -13.190 188 HA SER 29 HA SER 29 4.961 -12.731 -11.406 189 HB2 SER 29 HB2 SER 29 2.566 -12.232 -11.654 190 HB3 SER 29 HB3 SER 29 2.729 -12.293 -13.408 191 HG SER 29 HG SER 29 2.150 -14.276 -11.844 192 H GLN 30 H GLN 30 4.977 -14.806 -12.742 193 HA GLN 30 HA GLN 30 7.130 -14.749 -14.578 194 HB2 GLN 30 HB2 GLN 30 6.518 -16.685 -13.095 195 HB3 GLN 30 HB3 GLN 30 5.110 -16.963 -14.104 196 HG2 GLN 30 HG2 GLN 30 6.571 -17.441 -16.013 197 HG3 GLN 30 HG3 GLN 30 7.984 -17.155 -14.999 198 HE21 GLN 30 HE21 GLN 30 8.550 -18.689 -13.446 199 HE22 GLN 30 HE22 GLN 30 7.886 -20.284 -13.434 200 H ALA 31 H ALA 31 3.691 -14.541 -14.862 201 HA ALA 31 HA ALA 31 3.244 -15.327 -17.486 202 HB1 ALA 31 HB1 ALA 31 1.457 -14.852 -15.879 203 HB2 ALA 31 HB2 ALA 31 1.221 -13.981 -17.393 204 HB3 ALA 31 HB3 ALA 31 1.834 -13.131 -15.973 205 H CYS 32 H CYS 32 3.658 -11.932 -16.384 206 HA CYS 32 HA CYS 32 3.838 -10.853 -18.966 207 HB2 CYS 32 HB2 CYS 32 4.933 -9.767 -16.363 208 HB3 CYS 32 HB3 CYS 32 4.816 -8.850 -17.859 209 H ALA 33 H ALA 33 6.339 -12.060 -16.784 210 HA ALA 33 HA ALA 33 8.589 -11.145 -18.191 211 HB1 ALA 33 HB1 ALA 33 9.846 -12.830 -16.982 212 HB2 ALA 33 HB2 ALA 33 8.348 -13.637 -16.511 213 HB3 ALA 33 HB3 ALA 33 8.705 -12.019 -15.907 214 H GLU 34 H GLU 34 6.861 -14.224 -18.380 215 HA GLU 34 HA GLU 34 8.499 -15.239 -20.501 216 HB2 GLU 34 HB2 GLU 34 6.001 -16.142 -19.118 217 HB3 GLU 34 HB3 GLU 34 6.544 -16.923 -20.593 218 HG2 GLU 34 HG2 GLU 34 8.377 -16.638 -18.256 219 HG3 GLU 34 HG3 GLU 34 7.192 -17.942 -18.332 220 H GLN 35 H GLN 35 6.386 -12.775 -20.589 221 HA GLN 35 HA GLN 35 5.203 -11.693 -22.200 222 HB2 GLN 35 HB2 GLN 35 6.565 -13.708 -23.996 223 HB3 GLN 35 HB3 GLN 35 5.553 -12.407 -24.603 224 HG2 GLN 35 HG2 GLN 35 8.033 -12.006 -22.939 225 HG3 GLN 35 HG3 GLN 35 7.982 -11.924 -24.699 226 HE21 GLN 35 HE21 GLN 35 7.031 -10.381 -21.724 227 HE22 GLN 35 HE22 GLN 35 6.602 -8.858 -22.419 228 H HIS 36 H HIS 36 4.015 -13.767 -20.691 229 HA HIS 36 HA HIS 36 2.135 -15.019 -20.482 230 HB2 HIS 36 HB2 HIS 36 1.128 -13.351 -22.798 231 HB3 HIS 36 HB3 HIS 36 0.138 -14.259 -21.664 232 HD1 HIS 36 HD1 HIS 36 -0.417 -13.135 -19.440 233 HD2 HIS 36 HD2 HIS 36 2.329 -11.026 -21.717 234 HE1 HIS 36 HE1 HIS 36 -0.216 -10.876 -18.325 235 HA PRO 37 HA PRO 37 3.317 -17.744 -24.112 236 HB2 PRO 37 HB2 PRO 37 4.353 -19.773 -22.681 237 HB3 PRO 37 HB3 PRO 37 5.308 -18.338 -23.082 238 HG2 PRO 37 HG2 PRO 37 3.826 -18.970 -20.553 239 HG3 PRO 37 HG3 PRO 37 5.492 -18.404 -20.743 240 HD2 PRO 37 HD2 PRO 37 3.485 -16.710 -20.135 241 HD3 PRO 37 HD3 PRO 37 4.820 -16.208 -21.192 242 H ASN 38 H ASN 38 1.921 -18.572 -20.988 243 HA ASN 38 HA ASN 38 0.431 -20.804 -22.063 244 HB2 ASN 38 HB2 ASN 38 0.363 -19.527 -19.318 245 HB3 ASN 38 HB3 ASN 38 -0.446 -21.021 -19.762 246 HD21 ASN 38 HD21 ASN 38 1.784 -21.929 -21.440 247 HD22 ASN 38 HD22 ASN 38 3.024 -22.429 -20.347 248 H GLY 39 H GLY 39 0.064 -17.583 -22.275 249 HA2 GLY 39 HA2 GLY 39 -1.731 -16.390 -23.109 250 HA3 GLY 39 HA3 GLY 39 -2.744 -17.806 -22.875 251 H GLU 40 H GLU 40 -1.163 -17.382 -20.042 252 HA GLU 40 HA GLU 40 -3.521 -16.319 -18.809 253 HB2 GLU 40 HB2 GLU 40 -2.460 -16.806 -16.688 254 HB3 GLU 40 HB3 GLU 40 -2.298 -18.184 -17.763 255 HG2 GLU 40 HG2 GLU 40 -0.003 -17.760 -18.121 256 HG3 GLU 40 HG3 GLU 40 -0.114 -16.154 -17.403 257 HA PRO 41 HA PRO 41 -1.984 -12.090 -18.676 258 HB2 PRO 41 HB2 PRO 41 -4.377 -11.721 -16.994 259 HB3 PRO 41 HB3 PRO 41 -3.954 -10.928 -18.514 260 HG2 PRO 41 HG2 PRO 41 -5.930 -12.741 -18.366 261 HG3 PRO 41 HG3 PRO 41 -4.895 -12.596 -19.798 262 HD2 PRO 41 HD2 PRO 41 -4.791 -14.600 -17.580 263 HD3 PRO 41 HD3 PRO 41 -4.576 -14.829 -19.330 264 H CYS 42 H CYS 42 -2.115 -10.497 -16.563 265 HA CYS 42 HA CYS 42 -0.717 -12.027 -14.545 266 HB2 CYS 42 HB2 CYS 42 0.153 -9.929 -13.755 267 HB3 CYS 42 HB3 CYS 42 0.211 -9.912 -15.518 268 HA PRO 43 HA PRO 43 -3.710 -12.426 -11.319 269 HB2 PRO 43 HB2 PRO 43 -2.196 -10.377 -9.753 270 HB3 PRO 43 HB3 PRO 43 -2.826 -11.945 -9.237 271 HG2 PRO 43 HG2 PRO 43 -0.254 -11.666 -9.803 272 HG3 PRO 43 HG3 PRO 43 -1.131 -13.125 -10.293 273 HD2 PRO 43 HD2 PRO 43 -0.178 -10.845 -11.942 274 HD3 PRO 43 HD3 PRO 43 -0.384 -12.551 -12.384 275 H ALA 44 H ALA 44 -2.855 -9.036 -11.934 276 HA ALA 44 HA ALA 44 -5.037 -7.847 -10.612 277 HB1 ALA 44 HB1 ALA 44 -3.005 -6.638 -11.241 278 HB2 ALA 44 HB2 ALA 44 -4.456 -5.836 -11.849 279 HB3 ALA 44 HB3 ALA 44 -3.449 -6.787 -12.942 280 HA PRO 45 HA PRO 45 -8.149 -8.902 -13.747 281 HB2 PRO 45 HB2 PRO 45 -10.125 -7.889 -11.869 282 HB3 PRO 45 HB3 PRO 45 -9.863 -9.553 -12.394 283 HG2 PRO 45 HG2 PRO 45 -9.345 -8.709 -9.863 284 HG3 PRO 45 HG3 PRO 45 -8.447 -10.022 -10.643 285 HD2 PRO 45 HD2 PRO 45 -7.685 -7.143 -10.307 286 HD3 PRO 45 HD3 PRO 45 -6.701 -8.607 -10.071 287 H ASP 46 H ASP 46 -7.380 -5.952 -12.241 288 HA ASP 46 HA ASP 46 -9.237 -4.348 -13.805 289 HB2 ASP 46 HB2 ASP 46 -7.005 -3.524 -11.929 290 HB3 ASP 46 HB3 ASP 46 -8.135 -2.418 -12.699 291 H CYS 47 H CYS 47 -6.081 -5.591 -13.987 292 HA CYS 47 HA CYS 47 -5.186 -3.642 -15.945 293 HB2 CYS 47 HB2 CYS 47 -3.713 -4.560 -14.088 294 HB3 CYS 47 HB3 CYS 47 -3.740 -6.096 -14.946 295 H HIS 48 H HIS 48 -4.751 -4.195 -18.100 296 HA HIS 48 HA HIS 48 -5.542 -6.871 -18.991 297 HB2 HIS 48 HB2 HIS 48 -6.655 -4.343 -20.238 298 HB3 HIS 48 HB3 HIS 48 -6.956 -5.984 -20.783 299 HD1 HIS 48 HD1 HIS 48 -8.467 -3.391 -18.889 300 HD2 HIS 48 HD2 HIS 48 -8.328 -7.529 -18.555 301 HE1 HIS 48 HE1 HIS 48 -10.395 -4.012 -17.403 302 HE2 HIS 48 HE2 HIS 48 -10.312 -6.520 -17.230 303 H CYS 49 H CYS 49 -3.025 -6.524 -18.981 304 HA CYS 49 HA CYS 49 -2.061 -5.102 -21.297 305 HB2 CYS 49 HB2 CYS 49 0.163 -6.181 -20.595 306 HB3 CYS 49 HB3 CYS 49 -0.562 -5.020 -19.493 307 H GLU 50 H GLU 50 -0.966 -6.021 -23.096 308 HA GLU 50 HA GLU 50 -0.507 -7.489 -24.754 309 HB2 GLU 50 HB2 GLU 50 -1.124 -9.529 -22.633 310 HB3 GLU 50 HB3 GLU 50 -0.642 -9.966 -24.265 311 HG2 GLU 50 HG2 GLU 50 1.036 -8.122 -22.625 312 HG3 GLU 50 HG3 GLU 50 1.118 -9.863 -22.400 313 H ARG 51 H ARG 51 -3.316 -6.506 -24.113 314 HA ARG 51 HA ARG 51 -4.971 -8.542 -25.293 315 HB2 ARG 51 HB2 ARG 51 -6.747 -6.760 -25.327 316 HB3 ARG 51 HB3 ARG 51 -6.101 -7.140 -23.739 317 HG2 ARG 51 HG2 ARG 51 -4.860 -5.143 -23.658 318 HG3 ARG 51 HG3 ARG 51 -5.116 -4.832 -25.375 319 HD2 ARG 51 HD2 ARG 51 -7.220 -4.051 -25.061 320 HD3 ARG 51 HD3 ARG 51 -7.516 -5.093 -23.666 321 HE ARG 51 HE ARG 51 -5.793 -3.512 -22.554 322 HH11 ARG 51 HH11 ARG 51 -8.267 -2.516 -24.839 323 HH12 ARG 51 HH12 ARG 51 -8.385 -0.915 -24.200 324 HH21 ARG 51 HH21 ARG 51 -5.957 -1.388 -21.711 325 HH22 ARG 51 HH22 ARG 51 -7.066 -0.271 -22.426 326 H SER 52 H SER 52 -3.671 -8.816 -27.119 327 HA SER 52 HA SER 52 -3.532 -6.782 -29.132 328 HB2 SER 52 HB2 SER 52 -2.897 -9.734 -29.244 329 HB3 SER 52 HB3 SER 52 -2.581 -8.595 -30.553 330 HG SER 52 HG SER 52 -1.329 -8.859 -28.064 Start of MODEL 14 1 HA ASN 1 HA ASN 1 7.405 5.294 -9.796 2 HB2 ASN 1 HB2 ASN 1 4.423 5.368 -9.317 3 HB3 ASN 1 HB3 ASN 1 5.610 5.685 -8.057 4 HD21 ASN 1 HD21 ASN 1 4.203 6.832 -11.018 5 HD22 ASN 1 HD22 ASN 1 4.796 8.450 -10.904 6 H GLU 2 H GLU 2 7.955 4.151 -7.961 7 HA GLU 2 HA GLU 2 8.396 2.336 -6.701 8 HB2 GLU 2 HB2 GLU 2 5.597 1.479 -7.474 9 HB3 GLU 2 HB3 GLU 2 6.561 0.754 -6.195 10 HG2 GLU 2 HG2 GLU 2 5.396 3.519 -6.300 11 HG3 GLU 2 HG3 GLU 2 5.059 2.232 -5.140 12 H LEU 3 H LEU 3 7.830 -0.378 -6.990 13 HA LEU 3 HA LEU 3 9.715 -1.138 -8.904 14 HB2 LEU 3 HB2 LEU 3 8.583 -2.392 -6.838 15 HB3 LEU 3 HB3 LEU 3 7.595 -3.078 -8.109 16 HG LEU 3 HG LEU 3 10.611 -3.250 -8.003 17 HD11 LEU 3 HD11 LEU 3 8.532 -5.309 -7.294 18 HD12 LEU 3 HD12 LEU 3 9.624 -4.493 -6.175 19 HD13 LEU 3 HD13 LEU 3 10.269 -5.591 -7.396 20 HD21 LEU 3 HD21 LEU 3 9.725 -3.373 -10.269 21 HD22 LEU 3 HD22 LEU 3 8.603 -4.638 -9.773 22 HD23 LEU 3 HD23 LEU 3 10.339 -4.941 -9.748 23 H ARG 4 H ARG 4 9.569 -1.039 -11.012 24 HA ARG 4 HA ARG 4 6.963 -0.876 -12.297 25 HB2 ARG 4 HB2 ARG 4 8.247 -0.046 -14.253 26 HB3 ARG 4 HB3 ARG 4 8.493 0.911 -12.802 27 HG2 ARG 4 HG2 ARG 4 10.640 -0.319 -12.436 28 HG3 ARG 4 HG3 ARG 4 10.398 -1.096 -13.999 29 HD2 ARG 4 HD2 ARG 4 10.748 1.862 -13.472 30 HD3 ARG 4 HD3 ARG 4 11.880 0.788 -14.295 31 HE ARG 4 HE ARG 4 9.329 1.784 -15.348 32 HH11 ARG 4 HH11 ARG 4 12.334 0.037 -15.892 33 HH12 ARG 4 HH12 ARG 4 12.130 -0.034 -17.607 34 HH21 ARG 4 HH21 ARG 4 9.073 1.693 -17.627 35 HH22 ARG 4 HH22 ARG 4 10.275 0.915 -18.593 36 H CYS 5 H CYS 5 6.143 -2.374 -13.646 37 HA CYS 5 HA CYS 5 7.572 -4.858 -14.016 38 HB2 CYS 5 HB2 CYS 5 5.085 -4.769 -13.531 39 HB3 CYS 5 HB3 CYS 5 4.855 -4.080 -15.132 40 H GLY 6 H GLY 6 7.989 -5.772 -16.096 41 HA2 GLY 6 HA2 GLY 6 9.120 -3.843 -17.891 42 HA3 GLY 6 HA3 GLY 6 9.163 -5.587 -18.071 43 H CYS 7 H CYS 7 6.060 -5.346 -17.736 44 HA CYS 7 HA CYS 7 5.579 -5.499 -20.505 45 HB2 CYS 7 HB2 CYS 7 4.113 -6.016 -18.104 46 HB3 CYS 7 HB3 CYS 7 3.111 -5.117 -19.245 47 HA PRO 8 HA PRO 8 5.083 -1.403 -21.851 48 HB2 PRO 8 HB2 PRO 8 2.703 -2.324 -23.368 49 HB3 PRO 8 HB3 PRO 8 4.177 -1.544 -23.949 50 HG2 PRO 8 HG2 PRO 8 3.769 -4.140 -24.358 51 HG3 PRO 8 HG3 PRO 8 5.383 -3.525 -23.950 52 HD2 PRO 8 HD2 PRO 8 3.394 -4.934 -22.216 53 HD3 PRO 8 HD3 PRO 8 5.161 -5.108 -22.289 54 H ASP 9 H ASP 9 1.815 -2.802 -21.381 55 HA ASP 9 HA ASP 9 0.946 -0.161 -20.422 56 HB2 ASP 9 HB2 ASP 9 -0.233 -1.321 -22.356 57 HB3 ASP 9 HB3 ASP 9 -0.838 -2.476 -21.175 58 H CYS 10 H CYS 10 2.114 -2.839 -19.082 59 HA CYS 10 HA CYS 10 0.136 -3.192 -16.994 60 HB2 CYS 10 HB2 CYS 10 1.302 -5.139 -17.922 61 HB3 CYS 10 HB3 CYS 10 2.838 -4.465 -17.388 62 H HIS 11 H HIS 11 0.398 -2.612 -14.861 63 HA HIS 11 HA HIS 11 2.768 -1.684 -13.679 64 HB2 HIS 11 HB2 HIS 11 2.292 0.227 -15.308 65 HB3 HIS 11 HB3 HIS 11 0.886 0.594 -14.318 66 HD2 HIS 11 HD2 HIS 11 4.801 0.407 -13.769 67 HE1 HIS 11 HE1 HIS 11 3.138 3.287 -11.142 68 HE2 HIS 11 HE2 HIS 11 5.245 2.384 -12.175 69 H CYS 12 H CYS 12 1.830 -3.159 -12.172 70 HA CYS 12 HA CYS 12 -0.038 -1.859 -10.335 71 HB2 CYS 12 HB2 CYS 12 -1.161 -4.097 -10.052 72 HB3 CYS 12 HB3 CYS 12 -1.434 -3.311 -11.604 73 H LYS 13 H LYS 13 -0.194 -4.018 -8.508 74 HA LYS 13 HA LYS 13 2.255 -3.669 -7.125 75 HB2 LYS 13 HB2 LYS 13 -0.113 -5.443 -6.586 76 HB3 LYS 13 HB3 LYS 13 1.324 -5.488 -5.579 77 HG2 LYS 13 HG2 LYS 13 0.966 -2.973 -5.278 78 HG3 LYS 13 HG3 LYS 13 -0.645 -3.261 -5.941 79 HD2 LYS 13 HD2 LYS 13 -1.034 -4.956 -4.171 80 HD3 LYS 13 HD3 LYS 13 0.546 -4.568 -3.487 81 HE2 LYS 13 HE2 LYS 13 -1.765 -2.654 -3.798 82 HE3 LYS 13 HE3 LYS 13 -1.258 -3.418 -2.295 83 HZ1 LYS 13 HZ1 LYS 13 0.404 -1.564 -3.915 84 HZ2 LYS 13 HZ2 LYS 13 0.847 -2.270 -2.449 85 HZ3 LYS 13 HZ3 LYS 13 -0.418 -1.156 -2.497 86 H VAL 14 H VAL 14 4.067 -4.615 -7.459 87 HA VAL 14 HA VAL 14 4.244 -7.218 -8.770 88 HB VAL 14 HB VAL 14 6.425 -5.281 -7.904 89 HG11 VAL 14 HG11 VAL 14 7.138 -7.660 -8.144 90 HG12 VAL 14 HG12 VAL 14 7.950 -6.542 -9.235 91 HG13 VAL 14 HG13 VAL 14 6.664 -7.576 -9.842 92 HG21 VAL 14 HG21 VAL 14 4.983 -4.294 -9.609 93 HG22 VAL 14 HG22 VAL 14 5.232 -5.701 -10.643 94 HG23 VAL 14 HG23 VAL 14 6.585 -4.640 -10.258 95 H ASP 15 H ASP 15 5.435 -8.978 -7.702 96 HA ASP 15 HA ASP 15 5.368 -8.749 -4.771 97 HB2 ASP 15 HB2 ASP 15 5.482 -11.178 -6.571 98 HB3 ASP 15 HB3 ASP 15 5.677 -11.266 -4.827 99 HA PRO 16 HA PRO 16 9.888 -8.102 -5.388 100 HB2 PRO 16 HB2 PRO 16 9.454 -7.680 -2.459 101 HB3 PRO 16 HB3 PRO 16 10.463 -6.768 -3.589 102 HG2 PRO 16 HG2 PRO 16 8.134 -5.779 -2.831 103 HG3 PRO 16 HG3 PRO 16 8.638 -5.662 -4.526 104 HD2 PRO 16 HD2 PRO 16 6.649 -7.498 -3.265 105 HD3 PRO 16 HD3 PRO 16 6.606 -6.706 -4.853 106 H GLU 17 H GLU 17 8.221 -10.055 -2.882 107 HA GLU 17 HA GLU 17 10.466 -11.473 -1.970 108 HB2 GLU 17 HB2 GLU 17 7.539 -12.176 -1.979 109 HB3 GLU 17 HB3 GLU 17 8.740 -13.293 -1.362 110 HG2 GLU 17 HG2 GLU 17 9.475 -11.441 0.198 111 HG3 GLU 17 HG3 GLU 17 8.027 -10.571 -0.304 112 H ARG 18 H ARG 18 8.730 -11.812 -4.930 113 HA ARG 18 HA ARG 18 10.447 -14.059 -5.699 114 HB2 ARG 18 HB2 ARG 18 8.509 -15.317 -6.595 115 HB3 ARG 18 HB3 ARG 18 8.448 -15.152 -4.844 116 HG2 ARG 18 HG2 ARG 18 6.844 -13.359 -5.038 117 HG3 ARG 18 HG3 ARG 18 6.945 -13.432 -6.794 118 HD2 ARG 18 HD2 ARG 18 6.084 -15.753 -6.699 119 HD3 ARG 18 HD3 ARG 18 5.888 -15.572 -4.951 120 HE ARG 18 HE ARG 18 4.555 -13.438 -5.908 121 HH11 ARG 18 HH11 ARG 18 4.305 -16.857 -6.641 122 HH12 ARG 18 HH12 ARG 18 2.653 -16.742 -7.146 123 HH21 ARG 18 HH21 ARG 18 2.418 -13.278 -6.566 124 HH22 ARG 18 HH22 ARG 18 1.567 -14.698 -7.105 125 H VAL 19 H VAL 19 10.330 -11.258 -6.435 126 HA VAL 19 HA VAL 19 8.918 -10.777 -8.794 127 HB VAL 19 HB VAL 19 9.853 -8.958 -7.470 128 HG11 VAL 19 HG11 VAL 19 11.929 -9.977 -6.751 129 HG12 VAL 19 HG12 VAL 19 12.243 -8.421 -7.520 130 HG13 VAL 19 HG13 VAL 19 12.553 -9.919 -8.399 131 HG21 VAL 19 HG21 VAL 19 10.763 -7.575 -9.274 132 HG22 VAL 19 HG22 VAL 19 9.365 -8.511 -9.806 133 HG23 VAL 19 HG23 VAL 19 10.992 -9.019 -10.262 134 H PHE 20 H PHE 20 9.199 -11.304 -10.848 135 HA PHE 20 HA PHE 20 11.513 -12.931 -11.576 136 HB2 PHE 20 HB2 PHE 20 8.842 -12.448 -12.899 137 HB3 PHE 20 HB3 PHE 20 10.153 -13.302 -13.704 138 HD1 PHE 20 HD1 PHE 20 8.262 -13.378 -10.478 139 HD2 PHE 20 HD2 PHE 20 10.187 -15.592 -13.562 140 HE1 PHE 20 HE1 PHE 20 7.532 -15.474 -9.423 141 HE2 PHE 20 HE2 PHE 20 9.459 -17.694 -12.509 142 HZ PHE 20 HZ PHE 20 8.129 -17.638 -10.439 143 H ASN 21 H ASN 21 13.199 -11.867 -12.279 144 HA ASN 21 HA ASN 21 12.791 -9.453 -13.874 145 HB2 ASN 21 HB2 ASN 21 14.378 -9.250 -12.027 146 HB3 ASN 21 HB3 ASN 21 15.311 -10.602 -12.658 147 HD21 ASN 21 HD21 ASN 21 16.499 -10.319 -14.582 148 HD22 ASN 21 HD22 ASN 21 16.950 -8.742 -15.127 149 H HIS 22 H HIS 22 12.743 -9.672 -15.957 150 HA HIS 22 HA HIS 22 14.545 -11.607 -17.209 151 HB2 HIS 22 HB2 HIS 22 12.240 -12.580 -17.051 152 HB3 HIS 22 HB3 HIS 22 11.656 -11.247 -18.028 153 HD2 HIS 22 HD2 HIS 22 11.407 -12.008 -20.572 154 HE1 HIS 22 HE1 HIS 22 14.587 -14.798 -20.729 155 HE2 HIS 22 HE2 HIS 22 12.588 -13.866 -21.923 156 H ASP 23 H ASP 23 15.604 -10.854 -18.915 157 HA ASP 23 HA ASP 23 16.424 -9.451 -20.502 158 HB2 ASP 23 HB2 ASP 23 13.522 -8.647 -20.659 159 HB3 ASP 23 HB3 ASP 23 14.747 -7.876 -21.657 160 H GLY 24 H GLY 24 16.108 -8.607 -17.600 161 HA2 GLY 24 HA2 GLY 24 17.170 -6.796 -16.541 162 HA3 GLY 24 HA3 GLY 24 17.039 -5.871 -18.030 163 H GLU 25 H GLU 25 14.113 -7.224 -17.569 164 HA GLU 25 HA GLU 25 13.141 -4.866 -16.126 165 HB2 GLU 25 HB2 GLU 25 11.993 -6.475 -18.369 166 HB3 GLU 25 HB3 GLU 25 10.922 -5.610 -17.281 167 HG2 GLU 25 HG2 GLU 25 11.245 -4.176 -19.110 168 HG3 GLU 25 HG3 GLU 25 12.264 -3.544 -17.819 169 H ALA 26 H ALA 26 11.739 -5.113 -14.442 170 HA ALA 26 HA ALA 26 11.573 -7.776 -13.287 171 HB1 ALA 26 HB1 ALA 26 12.241 -5.924 -11.843 172 HB2 ALA 26 HB2 ALA 26 10.709 -6.611 -11.304 173 HB3 ALA 26 HB3 ALA 26 10.728 -5.090 -12.196 174 H TYR 27 H TYR 27 9.594 -8.787 -12.781 175 HA TYR 27 HA TYR 27 7.225 -7.582 -14.030 176 HB2 TYR 27 HB2 TYR 27 8.141 -10.447 -14.326 177 HB3 TYR 27 HB3 TYR 27 6.593 -9.824 -14.885 178 HD1 TYR 27 HD1 TYR 27 10.153 -10.082 -15.589 179 HD2 TYR 27 HD2 TYR 27 6.533 -8.179 -16.746 180 HE1 TYR 27 HE1 TYR 27 11.175 -9.429 -17.724 181 HE2 TYR 27 HE2 TYR 27 7.549 -7.540 -18.889 182 HH TYR 27 HH TYR 27 10.362 -8.876 -20.047 183 H CYS 28 H CYS 28 5.205 -8.173 -13.153 184 HA CYS 28 HA CYS 28 5.297 -8.715 -10.333 185 HB2 CYS 28 HB2 CYS 28 2.823 -8.402 -10.460 186 HB3 CYS 28 HB3 CYS 28 3.744 -7.052 -11.110 187 H SER 29 H SER 29 4.798 -10.599 -13.137 188 HA SER 29 HA SER 29 4.248 -12.923 -11.469 189 HB2 SER 29 HB2 SER 29 2.029 -12.221 -12.110 190 HB3 SER 29 HB3 SER 29 2.524 -12.023 -13.789 191 HG SER 29 HG SER 29 1.942 -14.339 -12.348 192 H GLN 30 H GLN 30 4.648 -14.959 -12.585 193 HA GLN 30 HA GLN 30 6.918 -14.897 -14.264 194 HB2 GLN 30 HB2 GLN 30 6.632 -17.350 -14.448 195 HB3 GLN 30 HB3 GLN 30 6.488 -16.815 -12.785 196 HG2 GLN 30 HG2 GLN 30 4.002 -16.949 -13.033 197 HG3 GLN 30 HG3 GLN 30 4.252 -17.648 -14.631 198 HE21 GLN 30 HE21 GLN 30 5.108 -19.749 -14.783 199 HE22 GLN 30 HE22 GLN 30 5.115 -20.839 -13.443 200 H ALA 31 H ALA 31 3.609 -14.570 -14.853 201 HA ALA 31 HA ALA 31 3.416 -15.522 -17.499 202 HB1 ALA 31 HB1 ALA 31 1.474 -15.098 -16.072 203 HB2 ALA 31 HB2 ALA 31 1.358 -14.234 -17.605 204 HB3 ALA 31 HB3 ALA 31 1.808 -13.369 -16.136 205 H CYS 32 H CYS 32 3.665 -12.142 -16.330 206 HA CYS 32 HA CYS 32 3.908 -10.918 -18.827 207 HB2 CYS 32 HB2 CYS 32 4.966 -10.018 -16.131 208 HB3 CYS 32 HB3 CYS 32 5.051 -9.028 -17.577 209 H ALA 33 H ALA 33 6.408 -12.224 -16.699 210 HA ALA 33 HA ALA 33 8.685 -11.275 -17.994 211 HB1 ALA 33 HB1 ALA 33 8.352 -13.900 -16.547 212 HB2 ALA 33 HB2 ALA 33 8.725 -12.347 -15.796 213 HB3 ALA 33 HB3 ALA 33 9.880 -13.094 -16.900 214 H GLU 34 H GLU 34 6.869 -14.242 -18.548 215 HA GLU 34 HA GLU 34 8.598 -14.988 -20.758 216 HB2 GLU 34 HB2 GLU 34 6.357 -16.277 -19.264 217 HB3 GLU 34 HB3 GLU 34 6.901 -16.946 -20.805 218 HG2 GLU 34 HG2 GLU 34 8.747 -16.467 -18.477 219 HG3 GLU 34 HG3 GLU 34 7.877 -17.980 -18.718 220 H GLN 35 H GLN 35 6.512 -12.672 -20.725 221 HA GLN 35 HA GLN 35 5.077 -11.655 -22.171 222 HB2 GLN 35 HB2 GLN 35 6.371 -13.601 -24.083 223 HB3 GLN 35 HB3 GLN 35 5.203 -12.399 -24.606 224 HG2 GLN 35 HG2 GLN 35 7.790 -11.754 -23.203 225 HG3 GLN 35 HG3 GLN 35 7.573 -11.744 -24.951 226 HE21 GLN 35 HE21 GLN 35 6.836 -10.145 -21.954 227 HE22 GLN 35 HE22 GLN 35 6.210 -8.693 -22.641 228 H HIS 36 H HIS 36 4.111 -13.795 -20.580 229 HA HIS 36 HA HIS 36 2.278 -15.080 -20.215 230 HB2 HIS 36 HB2 HIS 36 1.012 -13.539 -22.495 231 HB3 HIS 36 HB3 HIS 36 0.178 -14.373 -21.192 232 HD1 HIS 36 HD1 HIS 36 -0.355 -12.998 -19.157 233 HD2 HIS 36 HD2 HIS 36 2.486 -11.218 -21.579 234 HE1 HIS 36 HE1 HIS 36 -0.037 -10.680 -18.208 235 HA PRO 37 HA PRO 37 3.377 -17.806 -23.841 236 HB2 PRO 37 HB2 PRO 37 4.387 -19.855 -22.408 237 HB3 PRO 37 HB3 PRO 37 5.354 -18.433 -22.823 238 HG2 PRO 37 HG2 PRO 37 3.929 -19.073 -20.266 239 HG3 PRO 37 HG3 PRO 37 5.568 -18.438 -20.500 240 HD2 PRO 37 HD2 PRO 37 3.467 -16.852 -19.852 241 HD3 PRO 37 HD3 PRO 37 4.815 -16.281 -20.857 242 H ASN 38 H ASN 38 1.855 -18.617 -20.762 243 HA ASN 38 HA ASN 38 0.339 -20.790 -21.972 244 HB2 ASN 38 HB2 ASN 38 0.609 -19.762 -19.155 245 HB3 ASN 38 HB3 ASN 38 -0.679 -20.877 -19.588 246 HD21 ASN 38 HD21 ASN 38 2.479 -21.030 -21.079 247 HD22 ASN 38 HD22 ASN 38 2.978 -22.493 -20.311 248 H GLY 39 H GLY 39 0.067 -17.656 -22.240 249 HA2 GLY 39 HA2 GLY 39 -1.657 -16.280 -22.844 250 HA3 GLY 39 HA3 GLY 39 -2.694 -17.699 -22.854 251 H GLU 40 H GLU 40 -0.951 -16.854 -19.968 252 HA GLU 40 HA GLU 40 -3.505 -16.115 -18.761 253 HB2 GLU 40 HB2 GLU 40 -2.509 -16.651 -16.593 254 HB3 GLU 40 HB3 GLU 40 -2.397 -18.016 -17.691 255 HG2 GLU 40 HG2 GLU 40 -0.094 -17.793 -17.931 256 HG3 GLU 40 HG3 GLU 40 -0.102 -16.124 -17.365 257 HA PRO 41 HA PRO 41 -1.857 -11.951 -18.544 258 HB2 PRO 41 HB2 PRO 41 -4.067 -10.874 -17.368 259 HB3 PRO 41 HB3 PRO 41 -3.964 -11.195 -19.103 260 HG2 PRO 41 HG2 PRO 41 -5.283 -12.795 -16.954 261 HG3 PRO 41 HG3 PRO 41 -5.843 -12.453 -18.600 262 HD2 PRO 41 HD2 PRO 41 -4.706 -14.808 -17.876 263 HD3 PRO 41 HD3 PRO 41 -4.573 -14.136 -19.512 264 H CYS 42 H CYS 42 -1.667 -10.347 -16.664 265 HA CYS 42 HA CYS 42 -0.635 -11.788 -14.431 266 HB2 CYS 42 HB2 CYS 42 0.224 -9.678 -13.696 267 HB3 CYS 42 HB3 CYS 42 0.345 -9.705 -15.456 268 HA PRO 43 HA PRO 43 -4.122 -11.646 -11.663 269 HB2 PRO 43 HB2 PRO 43 -2.995 -11.147 -9.246 270 HB3 PRO 43 HB3 PRO 43 -2.805 -12.686 -10.095 271 HG2 PRO 43 HG2 PRO 43 -0.931 -10.351 -9.976 272 HG3 PRO 43 HG3 PRO 43 -0.573 -12.079 -9.794 273 HD2 PRO 43 HD2 PRO 43 -0.134 -10.764 -12.102 274 HD3 PRO 43 HD3 PRO 43 -0.648 -12.462 -12.072 275 H ALA 44 H ALA 44 -4.143 -9.277 -13.001 276 HA ALA 44 HA ALA 44 -5.077 -7.410 -10.941 277 HB1 ALA 44 HB1 ALA 44 -4.107 -5.521 -12.180 278 HB2 ALA 44 HB2 ALA 44 -3.341 -6.653 -13.293 279 HB3 ALA 44 HB3 ALA 44 -2.862 -6.624 -11.597 280 HA PRO 45 HA PRO 45 -8.501 -8.165 -13.815 281 HB2 PRO 45 HB2 PRO 45 -10.352 -6.852 -12.265 282 HB3 PRO 45 HB3 PRO 45 -9.896 -8.544 -12.051 283 HG2 PRO 45 HG2 PRO 45 -8.939 -6.125 -10.578 284 HG3 PRO 45 HG3 PRO 45 -9.370 -7.723 -9.944 285 HD2 PRO 45 HD2 PRO 45 -6.828 -6.986 -10.274 286 HD3 PRO 45 HD3 PRO 45 -7.352 -8.655 -10.583 287 H ASP 46 H ASP 46 -7.378 -5.107 -12.550 288 HA ASP 46 HA ASP 46 -9.016 -3.643 -14.484 289 HB2 ASP 46 HB2 ASP 46 -7.303 -2.741 -12.186 290 HB3 ASP 46 HB3 ASP 46 -7.867 -1.606 -13.405 291 H CYS 47 H CYS 47 -6.064 -5.113 -14.438 292 HA CYS 47 HA CYS 47 -4.794 -3.152 -16.171 293 HB2 CYS 47 HB2 CYS 47 -3.551 -4.373 -14.319 294 HB3 CYS 47 HB3 CYS 47 -3.686 -5.822 -15.310 295 H HIS 48 H HIS 48 -4.166 -3.645 -18.316 296 HA HIS 48 HA HIS 48 -5.377 -6.046 -19.491 297 HB2 HIS 48 HB2 HIS 48 -5.881 -3.216 -20.424 298 HB3 HIS 48 HB3 HIS 48 -6.223 -4.631 -21.407 299 HD1 HIS 48 HD1 HIS 48 -8.311 -5.979 -20.834 300 HD2 HIS 48 HD2 HIS 48 -7.628 -2.814 -18.242 301 HE1 HIS 48 HE1 HIS 48 -10.414 -5.753 -19.484 302 HE2 HIS 48 HE2 HIS 48 -10.043 -3.713 -18.065 303 H CYS 49 H CYS 49 -2.809 -6.174 -19.183 304 HA CYS 49 HA CYS 49 -1.482 -5.034 -21.504 305 HB2 CYS 49 HB2 CYS 49 0.584 -6.010 -20.504 306 HB3 CYS 49 HB3 CYS 49 -0.251 -4.901 -19.430 307 H GLU 50 H GLU 50 -0.489 -6.269 -23.125 308 HA GLU 50 HA GLU 50 -0.332 -7.928 -24.652 309 HB2 GLU 50 HB2 GLU 50 -0.475 -9.562 -22.134 310 HB3 GLU 50 HB3 GLU 50 -0.193 -10.275 -23.718 311 HG2 GLU 50 HG2 GLU 50 1.518 -8.058 -22.682 312 HG3 GLU 50 HG3 GLU 50 1.828 -9.730 -22.248 313 H ARG 51 H ARG 51 -2.921 -6.858 -24.193 314 HA ARG 51 HA ARG 51 -4.835 -8.978 -24.178 315 HB2 ARG 51 HB2 ARG 51 -6.478 -7.260 -24.795 316 HB3 ARG 51 HB3 ARG 51 -5.498 -6.770 -23.424 317 HG2 ARG 51 HG2 ARG 51 -4.313 -5.195 -24.688 318 HG3 ARG 51 HG3 ARG 51 -4.861 -5.886 -26.223 319 HD2 ARG 51 HD2 ARG 51 -7.171 -5.217 -25.655 320 HD3 ARG 51 HD3 ARG 51 -6.569 -4.472 -24.177 321 HE ARG 51 HE ARG 51 -5.643 -2.746 -25.430 322 HH11 ARG 51 HH11 ARG 51 -7.117 -5.151 -27.518 323 HH12 ARG 51 HH12 ARG 51 -7.212 -4.096 -28.881 324 HH21 ARG 51 HH21 ARG 51 -5.802 -1.337 -27.241 325 HH22 ARG 51 HH22 ARG 51 -6.461 -1.930 -28.726 326 H SER 52 H SER 52 -2.911 -7.462 -26.583 327 HA SER 52 HA SER 52 -4.287 -9.051 -28.641 328 HB2 SER 52 HB2 SER 52 -2.955 -6.365 -29.042 329 HB3 SER 52 HB3 SER 52 -3.802 -7.309 -30.268 330 HG SER 52 HG SER 52 -5.684 -7.116 -28.817 Start of MODEL 15 1 HA ASN 1 HA ASN 1 9.633 1.694 -3.888 2 HB2 ASN 1 HB2 ASN 1 6.920 1.518 -2.565 3 HB3 ASN 1 HB3 ASN 1 8.258 0.435 -2.206 4 HD21 ASN 1 HD21 ASN 1 10.056 1.233 -1.120 5 HD22 ASN 1 HD22 ASN 1 9.998 2.715 -0.232 6 H GLU 2 H GLU 2 6.810 1.630 -5.756 7 HA GLU 2 HA GLU 2 6.871 -1.251 -6.116 8 HB2 GLU 2 HB2 GLU 2 5.110 0.806 -7.450 9 HB3 GLU 2 HB3 GLU 2 4.905 -0.940 -7.513 10 HG2 GLU 2 HG2 GLU 2 4.575 -0.943 -5.064 11 HG3 GLU 2 HG3 GLU 2 4.656 0.816 -5.086 12 H LEU 3 H LEU 3 7.836 -2.248 -7.723 13 HA LEU 3 HA LEU 3 9.502 -0.763 -9.518 14 HB2 LEU 3 HB2 LEU 3 9.504 -3.313 -8.422 15 HB3 LEU 3 HB3 LEU 3 9.148 -3.596 -10.113 16 HG LEU 3 HG LEU 3 11.543 -2.041 -9.141 17 HD11 LEU 3 HD11 LEU 3 11.363 -4.905 -10.035 18 HD12 LEU 3 HD12 LEU 3 11.664 -4.351 -8.388 19 HD13 LEU 3 HD13 LEU 3 12.845 -4.026 -9.658 20 HD21 LEU 3 HD21 LEU 3 10.905 -3.227 -11.831 21 HD22 LEU 3 HD22 LEU 3 12.347 -2.303 -11.404 22 HD23 LEU 3 HD23 LEU 3 10.764 -1.524 -11.415 23 H ARG 4 H ARG 4 9.308 -0.622 -11.768 24 HA ARG 4 HA ARG 4 6.608 -0.667 -12.744 25 HB2 ARG 4 HB2 ARG 4 9.154 -0.061 -14.256 26 HB3 ARG 4 HB3 ARG 4 7.520 0.341 -14.757 27 HG2 ARG 4 HG2 ARG 4 8.937 1.470 -12.348 28 HG3 ARG 4 HG3 ARG 4 8.746 2.287 -13.899 29 HD2 ARG 4 HD2 ARG 4 6.277 2.135 -13.598 30 HD3 ARG 4 HD3 ARG 4 6.556 1.453 -11.998 31 HE ARG 4 HE ARG 4 7.588 4.111 -12.697 32 HH11 ARG 4 HH11 ARG 4 5.585 2.048 -10.672 33 HH12 ARG 4 HH12 ARG 4 5.176 3.310 -9.565 34 HH21 ARG 4 HH21 ARG 4 7.023 5.788 -11.232 35 HH22 ARG 4 HH22 ARG 4 5.990 5.445 -9.886 36 H CYS 5 H CYS 5 5.679 -2.171 -14.061 37 HA CYS 5 HA CYS 5 7.024 -4.671 -14.453 38 HB2 CYS 5 HB2 CYS 5 4.547 -4.430 -13.999 39 HB3 CYS 5 HB3 CYS 5 4.369 -3.798 -15.630 40 H GLY 6 H GLY 6 7.232 -5.715 -16.581 41 HA2 GLY 6 HA2 GLY 6 8.522 -3.871 -18.398 42 HA3 GLY 6 HA3 GLY 6 8.555 -5.621 -18.494 43 H CYS 7 H CYS 7 5.405 -5.225 -18.230 44 HA CYS 7 HA CYS 7 4.974 -5.490 -21.026 45 HB2 CYS 7 HB2 CYS 7 3.412 -5.842 -18.618 46 HB3 CYS 7 HB3 CYS 7 2.477 -5.040 -19.878 47 HA PRO 8 HA PRO 8 4.457 -1.492 -22.645 48 HB2 PRO 8 HB2 PRO 8 1.919 -1.632 -23.814 49 HB3 PRO 8 HB3 PRO 8 3.441 -2.109 -24.571 50 HG2 PRO 8 HG2 PRO 8 1.395 -3.794 -23.194 51 HG3 PRO 8 HG3 PRO 8 2.360 -4.155 -24.637 52 HD2 PRO 8 HD2 PRO 8 2.967 -5.233 -22.281 53 HD3 PRO 8 HD3 PRO 8 4.248 -4.689 -23.386 54 H ASP 9 H ASP 9 1.292 -2.474 -21.264 55 HA ASP 9 HA ASP 9 1.184 0.204 -20.041 56 HB2 ASP 9 HB2 ASP 9 -0.318 -0.153 -22.108 57 HB3 ASP 9 HB3 ASP 9 -1.288 -1.184 -21.065 58 H CYS 10 H CYS 10 1.968 -2.434 -18.944 59 HA CYS 10 HA CYS 10 -0.187 -3.052 -17.101 60 HB2 CYS 10 HB2 CYS 10 1.585 -4.715 -18.088 61 HB3 CYS 10 HB3 CYS 10 2.622 -4.096 -16.810 62 H HIS 11 H HIS 11 0.045 -2.762 -14.779 63 HA HIS 11 HA HIS 11 2.016 -0.800 -13.928 64 HB2 HIS 11 HB2 HIS 11 0.249 0.805 -13.151 65 HB3 HIS 11 HB3 HIS 11 0.423 0.689 -14.898 66 HD2 HIS 11 HD2 HIS 11 -1.648 -0.861 -16.141 67 HE1 HIS 11 HE1 HIS 11 -4.365 -0.288 -12.932 68 HE2 HIS 11 HE2 HIS 11 -4.132 -0.755 -15.391 69 H CYS 12 H CYS 12 1.287 -3.493 -13.098 70 HA CYS 12 HA CYS 12 -0.251 -3.245 -10.704 71 HB2 CYS 12 HB2 CYS 12 1.264 -5.527 -11.907 72 HB3 CYS 12 HB3 CYS 12 0.388 -5.643 -10.381 73 H LYS 13 H LYS 13 0.663 -4.551 -8.797 74 HA LYS 13 HA LYS 13 2.819 -2.976 -7.736 75 HB2 LYS 13 HB2 LYS 13 2.263 -4.372 -5.656 76 HB3 LYS 13 HB3 LYS 13 1.042 -3.249 -6.233 77 HG2 LYS 13 HG2 LYS 13 0.660 -5.804 -7.486 78 HG3 LYS 13 HG3 LYS 13 0.762 -6.008 -5.739 79 HD2 LYS 13 HD2 LYS 13 -0.936 -3.787 -6.754 80 HD3 LYS 13 HD3 LYS 13 -1.530 -5.431 -6.989 81 HE2 LYS 13 HE2 LYS 13 -2.352 -4.425 -4.893 82 HE3 LYS 13 HE3 LYS 13 -1.384 -5.867 -4.611 83 HZ1 LYS 13 HZ1 LYS 13 0.460 -4.509 -3.949 84 HZ2 LYS 13 HZ2 LYS 13 -0.897 -4.009 -3.075 85 HZ3 LYS 13 HZ3 LYS 13 -0.355 -3.094 -4.382 86 H VAL 14 H VAL 14 4.847 -3.572 -8.052 87 HA VAL 14 HA VAL 14 5.478 -6.437 -8.163 88 HB VAL 14 HB VAL 14 7.154 -4.137 -9.199 89 HG11 VAL 14 HG11 VAL 14 7.432 -7.119 -9.562 90 HG12 VAL 14 HG12 VAL 14 8.466 -6.088 -8.573 91 HG13 VAL 14 HG13 VAL 14 8.442 -5.892 -10.325 92 HG21 VAL 14 HG21 VAL 14 5.105 -4.340 -10.503 93 HG22 VAL 14 HG22 VAL 14 5.400 -6.063 -10.726 94 HG23 VAL 14 HG23 VAL 14 6.494 -4.882 -11.444 95 H ASP 15 H ASP 15 6.327 -7.203 -6.365 96 HA ASP 15 HA ASP 15 7.647 -5.381 -4.494 97 HB2 ASP 15 HB2 ASP 15 6.575 -8.179 -4.145 98 HB3 ASP 15 HB3 ASP 15 7.502 -7.344 -2.906 99 HA PRO 16 HA PRO 16 11.614 -6.808 -5.727 100 HB2 PRO 16 HB2 PRO 16 13.061 -5.969 -3.608 101 HB3 PRO 16 HB3 PRO 16 12.362 -4.843 -4.779 102 HG2 PRO 16 HG2 PRO 16 11.336 -5.639 -2.080 103 HG3 PRO 16 HG3 PRO 16 11.433 -4.024 -2.806 104 HD2 PRO 16 HD2 PRO 16 9.140 -5.469 -2.748 105 HD3 PRO 16 HD3 PRO 16 9.525 -4.331 -4.055 106 H GLU 17 H GLU 17 10.095 -7.902 -2.834 107 HA GLU 17 HA GLU 17 12.122 -9.850 -2.171 108 HB2 GLU 17 HB2 GLU 17 9.318 -9.466 -1.105 109 HB3 GLU 17 HB3 GLU 17 10.506 -10.577 -0.446 110 HG2 GLU 17 HG2 GLU 17 11.949 -8.699 0.135 111 HG3 GLU 17 HG3 GLU 17 10.772 -7.580 -0.548 112 H ARG 18 H ARG 18 9.912 -9.641 -4.560 113 HA ARG 18 HA ARG 18 9.917 -12.466 -5.109 114 HB2 ARG 18 HB2 ARG 18 7.420 -12.582 -5.238 115 HB3 ARG 18 HB3 ARG 18 8.056 -12.441 -3.604 116 HG2 ARG 18 HG2 ARG 18 7.644 -9.949 -3.826 117 HG3 ARG 18 HG3 ARG 18 6.697 -10.349 -5.261 118 HD2 ARG 18 HD2 ARG 18 5.309 -11.836 -3.905 119 HD3 ARG 18 HD3 ARG 18 6.247 -11.395 -2.479 120 HE ARG 18 HE ARG 18 5.170 -9.103 -3.776 121 HH11 ARG 18 HH11 ARG 18 4.319 -11.743 -1.637 122 HH12 ARG 18 HH12 ARG 18 3.025 -10.882 -0.884 123 HH21 ARG 18 HH21 ARG 18 3.516 -7.947 -2.778 124 HH22 ARG 18 HH22 ARG 18 2.565 -8.693 -1.526 125 H VAL 19 H VAL 19 10.928 -10.151 -6.357 126 HA VAL 19 HA VAL 19 9.156 -9.446 -8.515 127 HB VAL 19 HB VAL 19 10.596 -7.698 -7.630 128 HG11 VAL 19 HG11 VAL 19 12.439 -9.034 -6.814 129 HG12 VAL 19 HG12 VAL 19 13.033 -7.769 -7.890 130 HG13 VAL 19 HG13 VAL 19 12.911 -9.430 -8.467 131 HG21 VAL 19 HG21 VAL 19 11.438 -8.525 -10.403 132 HG22 VAL 19 HG22 VAL 19 11.671 -6.926 -9.699 133 HG23 VAL 19 HG23 VAL 19 10.040 -7.537 -9.979 134 H PHE 20 H PHE 20 9.245 -10.177 -10.552 135 HA PHE 20 HA PHE 20 10.961 -12.490 -11.005 136 HB2 PHE 20 HB2 PHE 20 8.509 -11.481 -12.456 137 HB3 PHE 20 HB3 PHE 20 9.450 -12.873 -12.975 138 HD1 PHE 20 HD1 PHE 20 7.698 -11.577 -9.936 139 HD2 PHE 20 HD2 PHE 20 8.785 -14.960 -12.281 140 HE1 PHE 20 HE1 PHE 20 6.359 -13.023 -8.466 141 HE2 PHE 20 HE2 PHE 20 7.450 -16.410 -10.809 142 HZ PHE 20 HZ PHE 20 6.235 -15.443 -8.903 143 H ASN 21 H ASN 21 12.865 -11.976 -11.814 144 HA ASN 21 HA ASN 21 13.084 -9.812 -13.756 145 HB2 ASN 21 HB2 ASN 21 14.744 -9.976 -11.902 146 HB3 ASN 21 HB3 ASN 21 15.261 -11.532 -12.542 147 HD21 ASN 21 HD21 ASN 21 16.326 -11.583 -14.585 148 HD22 ASN 21 HD22 ASN 21 17.142 -10.180 -15.177 149 H HIS 22 H HIS 22 12.673 -10.341 -15.768 150 HA HIS 22 HA HIS 22 13.870 -12.785 -16.849 151 HB2 HIS 22 HB2 HIS 22 11.369 -13.005 -16.155 152 HB3 HIS 22 HB3 HIS 22 11.057 -12.025 -17.580 153 HD2 HIS 22 HD2 HIS 22 11.450 -13.355 -20.039 154 HE1 HIS 22 HE1 HIS 22 11.965 -17.183 -18.294 155 HE2 HIS 22 HE2 HIS 22 11.268 -15.924 -20.343 156 H ASP 23 H ASP 23 14.769 -12.443 -18.809 157 HA ASP 23 HA ASP 23 15.490 -11.399 -20.692 158 HB2 ASP 23 HB2 ASP 23 13.041 -11.456 -21.305 159 HB3 ASP 23 HB3 ASP 23 12.876 -9.847 -20.616 160 H GLY 24 H GLY 24 15.776 -10.313 -17.925 161 HA2 GLY 24 HA2 GLY 24 17.090 -8.631 -17.051 162 HA3 GLY 24 HA3 GLY 24 17.141 -7.891 -18.644 163 H GLU 25 H GLU 25 14.034 -8.654 -17.325 164 HA GLU 25 HA GLU 25 13.712 -5.876 -16.457 165 HB2 GLU 25 HB2 GLU 25 12.524 -7.065 -18.772 166 HB3 GLU 25 HB3 GLU 25 11.265 -6.640 -17.620 167 HG2 GLU 25 HG2 GLU 25 13.377 -4.790 -18.698 168 HG3 GLU 25 HG3 GLU 25 11.681 -4.833 -19.176 169 H ALA 26 H ALA 26 11.798 -5.478 -15.183 170 HA ALA 26 HA ALA 26 11.252 -7.718 -13.374 171 HB1 ALA 26 HB1 ALA 26 10.740 -4.761 -13.041 172 HB2 ALA 26 HB2 ALA 26 12.115 -5.645 -12.381 173 HB3 ALA 26 HB3 ALA 26 10.483 -5.996 -11.810 174 H TYR 27 H TYR 27 9.185 -8.413 -12.939 175 HA TYR 27 HA TYR 27 6.962 -7.118 -14.343 176 HB2 TYR 27 HB2 TYR 27 7.578 -10.077 -14.476 177 HB3 TYR 27 HB3 TYR 27 6.131 -9.311 -15.114 178 HD1 TYR 27 HD1 TYR 27 9.699 -9.915 -15.630 179 HD2 TYR 27 HD2 TYR 27 6.248 -7.939 -17.146 180 HE1 TYR 27 HE1 TYR 27 10.838 -9.585 -17.777 181 HE2 TYR 27 HE2 TYR 27 7.375 -7.604 -19.302 182 HH TYR 27 HH TYR 27 10.293 -9.215 -20.089 183 H CYS 28 H CYS 28 4.827 -7.791 -13.511 184 HA CYS 28 HA CYS 28 4.883 -8.042 -10.651 185 HB2 CYS 28 HB2 CYS 28 2.423 -7.869 -10.800 186 HB3 CYS 28 HB3 CYS 28 3.217 -6.604 -11.726 187 H SER 29 H SER 29 4.273 -10.125 -13.338 188 HA SER 29 HA SER 29 4.120 -12.416 -11.534 189 HB2 SER 29 HB2 SER 29 1.805 -11.914 -12.077 190 HB3 SER 29 HB3 SER 29 2.195 -11.787 -13.790 191 HG SER 29 HG SER 29 1.854 -14.031 -12.187 192 H GLN 30 H GLN 30 4.622 -14.456 -12.663 193 HA GLN 30 HA GLN 30 6.775 -14.141 -14.492 194 HB2 GLN 30 HB2 GLN 30 6.797 -16.616 -14.597 195 HB3 GLN 30 HB3 GLN 30 6.776 -16.018 -12.948 196 HG2 GLN 30 HG2 GLN 30 5.139 -17.479 -12.607 197 HG3 GLN 30 HG3 GLN 30 4.114 -16.362 -13.506 198 HE21 GLN 30 HE21 GLN 30 2.807 -17.969 -14.291 199 HE22 GLN 30 HE22 GLN 30 3.324 -19.106 -15.483 200 H ALA 31 H ALA 31 3.420 -14.309 -14.811 201 HA ALA 31 HA ALA 31 3.091 -15.372 -17.369 202 HB1 ALA 31 HB1 ALA 31 1.231 -14.908 -15.850 203 HB2 ALA 31 HB2 ALA 31 0.989 -14.126 -17.413 204 HB3 ALA 31 HB3 ALA 31 1.518 -13.177 -16.024 205 H CYS 32 H CYS 32 3.564 -11.992 -16.356 206 HA CYS 32 HA CYS 32 3.696 -10.974 -19.024 207 HB2 CYS 32 HB2 CYS 32 4.619 -9.760 -16.403 208 HB3 CYS 32 HB3 CYS 32 4.621 -8.907 -17.938 209 H ALA 33 H ALA 33 5.976 -12.096 -16.647 210 HA ALA 33 HA ALA 33 8.377 -11.174 -17.651 211 HB1 ALA 33 HB1 ALA 33 8.145 -12.279 -15.491 212 HB2 ALA 33 HB2 ALA 33 9.413 -13.031 -16.460 213 HB3 ALA 33 HB3 ALA 33 7.842 -13.814 -16.304 214 H GLU 34 H GLU 34 6.711 -14.181 -18.419 215 HA GLU 34 HA GLU 34 8.687 -14.834 -20.446 216 HB2 GLU 34 HB2 GLU 34 6.555 -16.205 -18.968 217 HB3 GLU 34 HB3 GLU 34 6.837 -16.761 -20.619 218 HG2 GLU 34 HG2 GLU 34 9.127 -16.491 -18.724 219 HG3 GLU 34 HG3 GLU 34 8.080 -17.909 -18.663 220 H GLN 35 H GLN 35 6.438 -12.643 -20.606 221 HA GLN 35 HA GLN 35 5.164 -11.685 -22.228 222 HB2 GLN 35 HB2 GLN 35 6.631 -13.651 -23.994 223 HB3 GLN 35 HB3 GLN 35 5.573 -12.385 -24.605 224 HG2 GLN 35 HG2 GLN 35 8.112 -12.018 -23.040 225 HG3 GLN 35 HG3 GLN 35 7.853 -11.665 -24.750 226 HE21 GLN 35 HE21 GLN 35 8.690 -9.914 -22.579 227 HE22 GLN 35 HE22 GLN 35 7.535 -8.626 -22.530 228 H HIS 36 H HIS 36 4.126 -13.803 -20.694 229 HA HIS 36 HA HIS 36 2.334 -15.144 -20.468 230 HB2 HIS 36 HB2 HIS 36 1.277 -13.654 -22.887 231 HB3 HIS 36 HB3 HIS 36 0.316 -14.578 -21.739 232 HD1 HIS 36 HD1 HIS 36 0.002 -13.514 -19.338 233 HD2 HIS 36 HD2 HIS 36 1.928 -11.077 -22.098 234 HE1 HIS 36 HE1 HIS 36 -0.029 -11.198 -18.339 235 HA PRO 37 HA PRO 37 3.839 -17.967 -23.866 236 HB2 PRO 37 HB2 PRO 37 5.007 -19.813 -22.316 237 HB3 PRO 37 HB3 PRO 37 5.835 -18.297 -22.704 238 HG2 PRO 37 HG2 PRO 37 4.272 -19.012 -20.242 239 HG3 PRO 37 HG3 PRO 37 5.888 -18.296 -20.347 240 HD2 PRO 37 HD2 PRO 37 3.675 -16.798 -19.917 241 HD3 PRO 37 HD3 PRO 37 5.039 -16.178 -20.868 242 H ASN 38 H ASN 38 2.391 -18.694 -20.747 243 HA ASN 38 HA ASN 38 1.134 -21.120 -21.673 244 HB2 ASN 38 HB2 ASN 38 0.811 -19.598 -19.077 245 HB3 ASN 38 HB3 ASN 38 0.185 -21.207 -19.401 246 HD21 ASN 38 HD21 ASN 38 2.482 -22.195 -20.791 247 HD22 ASN 38 HD22 ASN 38 3.736 -22.387 -19.620 248 H GLY 39 H GLY 39 0.533 -17.949 -22.154 249 HA2 GLY 39 HA2 GLY 39 -1.311 -16.970 -23.173 250 HA3 GLY 39 HA3 GLY 39 -2.234 -18.428 -22.834 251 H GLU 40 H GLU 40 -0.901 -17.815 -19.986 252 HA GLU 40 HA GLU 40 -3.325 -16.726 -18.944 253 HB2 GLU 40 HB2 GLU 40 -2.336 -17.043 -16.747 254 HB3 GLU 40 HB3 GLU 40 -2.141 -18.486 -17.728 255 HG2 GLU 40 HG2 GLU 40 0.164 -18.087 -18.025 256 HG3 GLU 40 HG3 GLU 40 0.031 -16.434 -17.433 257 HA PRO 41 HA PRO 41 -1.894 -12.456 -18.907 258 HB2 PRO 41 HB2 PRO 41 -4.415 -12.043 -17.441 259 HB3 PRO 41 HB3 PRO 41 -3.899 -11.344 -18.979 260 HG2 PRO 41 HG2 PRO 41 -5.847 -13.191 -18.842 261 HG3 PRO 41 HG3 PRO 41 -4.718 -13.117 -20.208 262 HD2 PRO 41 HD2 PRO 41 -4.720 -14.960 -17.847 263 HD3 PRO 41 HD3 PRO 41 -4.402 -15.311 -19.560 264 H CYS 42 H CYS 42 -2.116 -10.757 -16.917 265 HA CYS 42 HA CYS 42 -0.835 -12.112 -14.711 266 HB2 CYS 42 HB2 CYS 42 -0.206 -9.895 -13.949 267 HB3 CYS 42 HB3 CYS 42 0.037 -9.985 -15.689 268 HA PRO 43 HA PRO 43 -4.011 -12.621 -11.732 269 HB2 PRO 43 HB2 PRO 43 -3.202 -10.868 -9.681 270 HB3 PRO 43 HB3 PRO 43 -2.776 -12.572 -9.854 271 HG2 PRO 43 HG2 PRO 43 -1.244 -10.144 -10.665 272 HG3 PRO 43 HG3 PRO 43 -0.648 -11.681 -10.014 273 HD2 PRO 43 HD2 PRO 43 -0.385 -11.135 -12.588 274 HD3 PRO 43 HD3 PRO 43 -0.857 -12.765 -12.071 275 H ALA 44 H ALA 44 -3.293 -9.215 -12.368 276 HA ALA 44 HA ALA 44 -5.595 -8.136 -11.114 277 HB1 ALA 44 HB1 ALA 44 -3.927 -6.982 -13.342 278 HB2 ALA 44 HB2 ALA 44 -3.601 -6.808 -11.616 279 HB3 ALA 44 HB3 ALA 44 -5.052 -6.088 -12.319 280 HA PRO 45 HA PRO 45 -8.405 -9.371 -14.451 281 HB2 PRO 45 HB2 PRO 45 -10.604 -8.537 -12.759 282 HB3 PRO 45 HB3 PRO 45 -10.133 -10.178 -13.204 283 HG2 PRO 45 HG2 PRO 45 -9.927 -9.191 -10.662 284 HG3 PRO 45 HG3 PRO 45 -8.885 -10.473 -11.302 285 HD2 PRO 45 HD2 PRO 45 -8.325 -7.545 -11.008 286 HD3 PRO 45 HD3 PRO 45 -7.275 -8.939 -10.662 287 H ASP 46 H ASP 46 -7.919 -6.402 -12.919 288 HA ASP 46 HA ASP 46 -9.798 -4.925 -14.602 289 HB2 ASP 46 HB2 ASP 46 -7.964 -3.935 -12.406 290 HB3 ASP 46 HB3 ASP 46 -9.196 -2.986 -13.227 291 H CYS 47 H CYS 47 -6.844 -6.153 -15.023 292 HA CYS 47 HA CYS 47 -5.640 -3.773 -16.178 293 HB2 CYS 47 HB2 CYS 47 -4.304 -5.332 -14.729 294 HB3 CYS 47 HB3 CYS 47 -4.433 -6.529 -16.017 295 H HIS 48 H HIS 48 -4.651 -3.932 -18.334 296 HA HIS 48 HA HIS 48 -6.143 -5.700 -20.138 297 HB2 HIS 48 HB2 HIS 48 -6.752 -3.874 -21.623 298 HB3 HIS 48 HB3 HIS 48 -7.359 -3.534 -20.010 299 HD1 HIS 48 HD1 HIS 48 -6.168 -1.695 -22.641 300 HD2 HIS 48 HD2 HIS 48 -4.950 -1.908 -18.677 301 HE1 HIS 48 HE1 HIS 48 -4.927 0.438 -22.202 302 HE2 HIS 48 HE2 HIS 48 -3.918 0.107 -19.928 303 H CYS 49 H CYS 49 -3.356 -5.768 -19.272 304 HA CYS 49 HA CYS 49 -1.776 -4.669 -21.404 305 HB2 CYS 49 HB2 CYS 49 0.112 -5.726 -20.347 306 HB3 CYS 49 HB3 CYS 49 -0.896 -5.019 -19.090 307 H GLU 50 H GLU 50 -0.648 -5.806 -23.009 308 HA GLU 50 HA GLU 50 -0.336 -7.310 -24.674 309 HB2 GLU 50 HB2 GLU 50 0.307 -8.627 -22.527 310 HB3 GLU 50 HB3 GLU 50 -1.197 -9.493 -22.796 311 HG2 GLU 50 HG2 GLU 50 0.586 -10.766 -23.734 312 HG3 GLU 50 HG3 GLU 50 -0.374 -10.106 -25.055 313 H ARG 51 H ARG 51 -2.976 -6.118 -24.400 314 HA ARG 51 HA ARG 51 -4.842 -8.233 -25.113 315 HB2 ARG 51 HB2 ARG 51 -6.584 -6.588 -24.984 316 HB3 ARG 51 HB3 ARG 51 -5.532 -6.375 -23.597 317 HG2 ARG 51 HG2 ARG 51 -5.788 -4.194 -24.179 318 HG3 ARG 51 HG3 ARG 51 -4.412 -4.576 -25.212 319 HD2 ARG 51 HD2 ARG 51 -5.977 -5.030 -27.078 320 HD3 ARG 51 HD3 ARG 51 -7.323 -4.569 -26.037 321 HE ARG 51 HE ARG 51 -5.476 -2.476 -26.065 322 HH11 ARG 51 HH11 ARG 51 -7.712 -4.071 -28.245 323 HH12 ARG 51 HH12 ARG 51 -7.965 -2.665 -29.220 324 HH21 ARG 51 HH21 ARG 51 -5.802 -0.609 -27.369 325 HH22 ARG 51 HH22 ARG 51 -6.865 -0.699 -28.731 326 H SER 52 H SER 52 -2.598 -6.529 -26.755 327 HA SER 52 HA SER 52 -4.011 -5.761 -29.096 328 HB2 SER 52 HB2 SER 52 -1.067 -6.384 -28.896 329 HB3 SER 52 HB3 SER 52 -1.867 -5.328 -30.060 330 HG SER 52 HG SER 52 -0.869 -4.684 -27.708 Start of MODEL 16 1 HA ASN 1 HA ASN 1 6.236 -0.095 -5.893 2 HB2 ASN 1 HB2 ASN 1 4.745 2.270 -4.737 3 HB3 ASN 1 HB3 ASN 1 4.175 1.290 -6.084 4 HD21 ASN 1 HD21 ASN 1 4.698 1.447 -2.677 5 HD22 ASN 1 HD22 ASN 1 3.819 0.015 -2.271 6 H GLU 2 H GLU 2 8.588 1.541 -5.977 7 HA GLU 2 HA GLU 2 8.006 3.654 -7.881 8 HB2 GLU 2 HB2 GLU 2 10.653 2.607 -6.863 9 HB3 GLU 2 HB3 GLU 2 10.431 4.045 -7.846 10 HG2 GLU 2 HG2 GLU 2 9.125 5.064 -6.036 11 HG3 GLU 2 HG3 GLU 2 9.397 3.627 -5.052 12 H LEU 3 H LEU 3 8.831 0.352 -7.841 13 HA LEU 3 HA LEU 3 10.106 0.242 -10.404 14 HB2 LEU 3 HB2 LEU 3 10.675 -1.362 -8.696 15 HB3 LEU 3 HB3 LEU 3 9.010 -1.892 -8.584 16 HG LEU 3 HG LEU 3 9.152 -2.823 -10.849 17 HD11 LEU 3 HD11 LEU 3 12.029 -1.938 -10.719 18 HD12 LEU 3 HD12 LEU 3 10.785 -1.336 -11.817 19 HD13 LEU 3 HD13 LEU 3 11.343 -3.003 -11.946 20 HD21 LEU 3 HD21 LEU 3 10.680 -4.669 -10.310 21 HD22 LEU 3 HD22 LEU 3 9.631 -4.247 -8.958 22 HD23 LEU 3 HD23 LEU 3 11.317 -3.728 -8.961 23 H ARG 4 H ARG 4 9.269 -0.259 -12.337 24 HA ARG 4 HA ARG 4 6.367 -0.608 -12.484 25 HB2 ARG 4 HB2 ARG 4 6.481 0.406 -14.732 26 HB3 ARG 4 HB3 ARG 4 7.088 1.492 -13.495 27 HG2 ARG 4 HG2 ARG 4 9.397 0.908 -14.137 28 HG3 ARG 4 HG3 ARG 4 8.760 -0.137 -15.407 29 HD2 ARG 4 HD2 ARG 4 8.411 2.856 -15.182 30 HD3 ARG 4 HD3 ARG 4 9.403 2.002 -16.360 31 HE ARG 4 HE ARG 4 6.476 2.103 -16.280 32 HH11 ARG 4 HH11 ARG 4 9.425 1.213 -17.974 33 HH12 ARG 4 HH12 ARG 4 8.618 0.872 -19.463 34 HH21 ARG 4 HH21 ARG 4 5.407 1.661 -18.256 35 HH22 ARG 4 HH22 ARG 4 6.324 1.146 -19.630 36 H CYS 5 H CYS 5 5.518 -2.232 -13.755 37 HA CYS 5 HA CYS 5 7.106 -4.534 -14.190 38 HB2 CYS 5 HB2 CYS 5 4.642 -4.564 -13.714 39 HB3 CYS 5 HB3 CYS 5 4.355 -3.911 -15.319 40 H GLY 6 H GLY 6 8.026 -5.345 -16.083 41 HA2 GLY 6 HA2 GLY 6 8.917 -3.608 -18.041 42 HA3 GLY 6 HA3 GLY 6 8.912 -5.353 -18.183 43 H CYS 7 H CYS 7 5.818 -5.234 -17.973 44 HA CYS 7 HA CYS 7 5.300 -5.342 -20.727 45 HB2 CYS 7 HB2 CYS 7 3.782 -5.689 -18.301 46 HB3 CYS 7 HB3 CYS 7 2.851 -4.754 -19.459 47 HA PRO 8 HA PRO 8 4.885 -1.209 -22.136 48 HB2 PRO 8 HB2 PRO 8 2.366 -1.950 -23.511 49 HB3 PRO 8 HB3 PRO 8 3.871 -1.316 -24.187 50 HG2 PRO 8 HG2 PRO 8 3.195 -3.868 -24.528 51 HG3 PRO 8 HG3 PRO 8 4.880 -3.399 -24.241 52 HD2 PRO 8 HD2 PRO 8 2.894 -4.581 -22.337 53 HD3 PRO 8 HD3 PRO 8 4.620 -4.946 -22.539 54 H ASP 9 H ASP 9 1.699 -2.569 -21.267 55 HA ASP 9 HA ASP 9 1.274 -0.155 -19.684 56 HB2 ASP 9 HB2 ASP 9 0.080 0.055 -21.887 57 HB3 ASP 9 HB3 ASP 9 -0.908 -1.323 -21.407 58 H CYS 10 H CYS 10 1.975 -1.698 -18.082 59 HA CYS 10 HA CYS 10 -0.342 -3.099 -16.976 60 HB2 CYS 10 HB2 CYS 10 1.155 -4.788 -17.946 61 HB3 CYS 10 HB3 CYS 10 2.508 -4.122 -17.040 62 H HIS 11 H HIS 11 -0.672 -2.634 -14.863 63 HA HIS 11 HA HIS 11 1.506 -1.344 -13.395 64 HB2 HIS 11 HB2 HIS 11 0.065 0.439 -14.376 65 HB3 HIS 11 HB3 HIS 11 -1.296 -0.213 -13.472 66 HD2 HIS 11 HD2 HIS 11 -1.169 0.223 -10.672 67 HE1 HIS 11 HE1 HIS 11 2.001 3.024 -10.884 68 HE2 HIS 11 HE2 HIS 11 0.107 2.142 -9.493 69 H CYS 12 H CYS 12 1.754 -3.156 -12.180 70 HA CYS 12 HA CYS 12 -0.360 -3.566 -10.198 71 HB2 CYS 12 HB2 CYS 12 1.321 -5.682 -11.543 72 HB3 CYS 12 HB3 CYS 12 0.346 -5.973 -10.107 73 H LYS 13 H LYS 13 0.460 -4.489 -8.170 74 HA LYS 13 HA LYS 13 2.863 -3.082 -7.435 75 HB2 LYS 13 HB2 LYS 13 0.743 -4.519 -5.869 76 HB3 LYS 13 HB3 LYS 13 2.224 -3.944 -5.112 77 HG2 LYS 13 HG2 LYS 13 1.723 -1.677 -5.766 78 HG3 LYS 13 HG3 LYS 13 0.287 -2.219 -6.633 79 HD2 LYS 13 HD2 LYS 13 -0.805 -2.826 -4.625 80 HD3 LYS 13 HD3 LYS 13 0.685 -2.674 -3.688 81 HE2 LYS 13 HE2 LYS 13 -0.863 -0.765 -3.373 82 HE3 LYS 13 HE3 LYS 13 0.709 -0.293 -4.013 83 HZ1 LYS 13 HZ1 LYS 13 -1.784 -0.621 -5.593 84 HZ2 LYS 13 HZ2 LYS 13 -0.277 -0.199 -6.227 85 HZ3 LYS 13 HZ3 LYS 13 -1.063 0.844 -5.158 86 H VAL 14 H VAL 14 4.627 -4.049 -8.054 87 HA VAL 14 HA VAL 14 4.977 -6.897 -7.541 88 HB VAL 14 HB VAL 14 5.476 -6.277 -9.816 89 HG11 VAL 14 HG11 VAL 14 7.176 -4.634 -10.429 90 HG12 VAL 14 HG12 VAL 14 7.391 -4.222 -8.726 91 HG13 VAL 14 HG13 VAL 14 5.852 -3.900 -9.525 92 HG21 VAL 14 HG21 VAL 14 7.817 -6.956 -10.034 93 HG22 VAL 14 HG22 VAL 14 6.949 -7.956 -8.867 94 HG23 VAL 14 HG23 VAL 14 8.050 -6.696 -8.303 95 H ASP 15 H ASP 15 6.359 -7.621 -6.026 96 HA ASP 15 HA ASP 15 7.799 -5.610 -4.434 97 HB2 ASP 15 HB2 ASP 15 6.845 -8.385 -3.676 98 HB3 ASP 15 HB3 ASP 15 7.780 -7.330 -2.623 99 HA PRO 16 HA PRO 16 11.647 -7.160 -6.077 100 HB2 PRO 16 HB2 PRO 16 13.203 -6.401 -3.892 101 HB3 PRO 16 HB3 PRO 16 12.811 -5.383 -5.280 102 HG2 PRO 16 HG2 PRO 16 11.526 -5.498 -2.586 103 HG3 PRO 16 HG3 PRO 16 11.872 -4.089 -3.606 104 HD2 PRO 16 HD2 PRO 16 9.406 -5.071 -3.413 105 HD3 PRO 16 HD3 PRO 16 10.025 -4.467 -4.965 106 H GLU 17 H GLU 17 10.347 -8.171 -2.993 107 HA GLU 17 HA GLU 17 12.375 -10.154 -2.523 108 HB2 GLU 17 HB2 GLU 17 9.729 -9.615 -1.208 109 HB3 GLU 17 HB3 GLU 17 10.741 -10.978 -0.761 110 HG2 GLU 17 HG2 GLU 17 12.566 -9.349 -0.269 111 HG3 GLU 17 HG3 GLU 17 11.397 -8.057 -0.531 112 H ARG 18 H ARG 18 9.788 -10.039 -4.635 113 HA ARG 18 HA ARG 18 10.035 -12.912 -5.115 114 HB2 ARG 18 HB2 ARG 18 7.701 -13.359 -5.094 115 HB3 ARG 18 HB3 ARG 18 8.083 -12.576 -3.569 116 HG2 ARG 18 HG2 ARG 18 7.251 -10.449 -4.494 117 HG3 ARG 18 HG3 ARG 18 6.792 -11.303 -5.968 118 HD2 ARG 18 HD2 ARG 18 4.835 -11.195 -4.682 119 HD3 ARG 18 HD3 ARG 18 5.445 -12.838 -4.476 120 HE ARG 18 HE ARG 18 6.529 -11.659 -2.369 121 HH11 ARG 18 HH11 ARG 18 3.252 -11.493 -3.601 122 HH12 ARG 18 HH12 ARG 18 2.553 -11.124 -2.063 123 HH21 ARG 18 HH21 ARG 18 5.607 -11.187 -0.326 124 HH22 ARG 18 HH22 ARG 18 3.897 -10.962 -0.187 125 H VAL 19 H VAL 19 10.621 -10.201 -6.300 126 HA VAL 19 HA VAL 19 9.005 -9.779 -8.542 127 HB VAL 19 HB VAL 19 10.504 -8.053 -7.672 128 HG11 VAL 19 HG11 VAL 19 12.921 -8.145 -8.101 129 HG12 VAL 19 HG12 VAL 19 12.742 -9.798 -8.687 130 HG13 VAL 19 HG13 VAL 19 12.390 -9.416 -7.002 131 HG21 VAL 19 HG21 VAL 19 11.152 -8.852 -10.502 132 HG22 VAL 19 HG22 VAL 19 11.423 -7.258 -9.799 133 HG23 VAL 19 HG23 VAL 19 9.781 -7.876 -9.975 134 H PHE 20 H PHE 20 8.978 -10.634 -10.518 135 HA PHE 20 HA PHE 20 10.674 -12.922 -11.004 136 HB2 PHE 20 HB2 PHE 20 8.283 -11.787 -12.457 137 HB3 PHE 20 HB3 PHE 20 9.214 -13.152 -13.071 138 HD1 PHE 20 HD1 PHE 20 7.638 -12.084 -9.846 139 HD2 PHE 20 HD2 PHE 20 8.373 -15.243 -12.604 140 HE1 PHE 20 HE1 PHE 20 6.334 -13.608 -8.434 141 HE2 PHE 20 HE2 PHE 20 7.060 -16.776 -11.195 142 HZ PHE 20 HZ PHE 20 6.037 -15.959 -9.109 143 H ASN 21 H ASN 21 12.582 -12.558 -11.729 144 HA ASN 21 HA ASN 21 13.129 -10.231 -13.383 145 HB2 ASN 21 HB2 ASN 21 14.584 -10.812 -11.429 146 HB3 ASN 21 HB3 ASN 21 15.059 -12.278 -12.282 147 HD21 ASN 21 HD21 ASN 21 16.285 -12.084 -14.203 148 HD22 ASN 21 HD22 ASN 21 17.223 -10.662 -14.503 149 H HIS 22 H HIS 22 12.865 -10.476 -15.472 150 HA HIS 22 HA HIS 22 13.937 -12.901 -16.710 151 HB2 HIS 22 HB2 HIS 22 11.448 -13.080 -16.409 152 HB3 HIS 22 HB3 HIS 22 11.271 -11.685 -17.464 153 HD2 HIS 22 HD2 HIS 22 11.744 -12.203 -20.193 154 HE1 HIS 22 HE1 HIS 22 11.869 -16.414 -19.757 155 HE2 HIS 22 HE2 HIS 22 11.870 -14.501 -21.379 156 H ASP 23 H ASP 23 15.283 -12.427 -18.286 157 HA ASP 23 HA ASP 23 16.474 -11.333 -19.860 158 HB2 ASP 23 HB2 ASP 23 14.206 -11.291 -21.002 159 HB3 ASP 23 HB3 ASP 23 14.005 -9.658 -20.380 160 H GLY 24 H GLY 24 16.280 -10.380 -17.100 161 HA2 GLY 24 HA2 GLY 24 17.548 -8.794 -15.968 162 HA3 GLY 24 HA3 GLY 24 17.752 -7.917 -17.477 163 H GLU 25 H GLU 25 14.523 -8.598 -17.074 164 HA GLU 25 HA GLU 25 14.072 -5.942 -15.912 165 HB2 GLU 25 HB2 GLU 25 12.568 -7.479 -17.991 166 HB3 GLU 25 HB3 GLU 25 11.808 -6.172 -17.093 167 HG2 GLU 25 HG2 GLU 25 13.411 -4.620 -17.872 168 HG3 GLU 25 HG3 GLU 25 14.339 -5.892 -18.678 169 H ALA 26 H ALA 26 11.911 -5.693 -14.919 170 HA ALA 26 HA ALA 26 11.401 -7.971 -13.148 171 HB1 ALA 26 HB1 ALA 26 12.297 -6.008 -12.021 172 HB2 ALA 26 HB2 ALA 26 10.628 -6.313 -11.531 173 HB3 ALA 26 HB3 ALA 26 10.989 -5.024 -12.679 174 H TYR 27 H TYR 27 9.352 -8.703 -12.918 175 HA TYR 27 HA TYR 27 7.175 -7.232 -14.221 176 HB2 TYR 27 HB2 TYR 27 7.708 -10.191 -14.556 177 HB3 TYR 27 HB3 TYR 27 6.316 -9.321 -15.186 178 HD1 TYR 27 HD1 TYR 27 9.866 -10.046 -15.628 179 HD2 TYR 27 HD2 TYR 27 6.568 -7.795 -17.099 180 HE1 TYR 27 HE1 TYR 27 11.096 -9.613 -17.707 181 HE2 TYR 27 HE2 TYR 27 7.789 -7.356 -19.186 182 HH TYR 27 HH TYR 27 10.486 -7.306 -19.789 183 H CYS 28 H CYS 28 5.025 -7.925 -13.458 184 HA CYS 28 HA CYS 28 5.085 -8.354 -10.617 185 HB2 CYS 28 HB2 CYS 28 2.685 -8.005 -10.694 186 HB3 CYS 28 HB3 CYS 28 3.485 -6.789 -11.684 187 H SER 29 H SER 29 4.381 -10.248 -13.439 188 HA SER 29 HA SER 29 3.983 -12.593 -11.739 189 HB2 SER 29 HB2 SER 29 1.758 -11.855 -12.370 190 HB3 SER 29 HB3 SER 29 2.234 -11.748 -14.062 191 HG SER 29 HG SER 29 1.439 -13.909 -12.598 192 H GLN 30 H GLN 30 4.359 -14.623 -12.853 193 HA GLN 30 HA GLN 30 6.662 -14.681 -14.465 194 HB2 GLN 30 HB2 GLN 30 5.833 -16.571 -13.042 195 HB3 GLN 30 HB3 GLN 30 4.531 -16.819 -14.194 196 HG2 GLN 30 HG2 GLN 30 6.258 -17.252 -15.940 197 HG3 GLN 30 HG3 GLN 30 7.477 -17.183 -14.671 198 HE21 GLN 30 HE21 GLN 30 6.738 -19.362 -16.428 199 HE22 GLN 30 HE22 GLN 30 6.285 -20.693 -15.414 200 H ALA 31 H ALA 31 3.254 -14.628 -15.160 201 HA ALA 31 HA ALA 31 3.229 -15.358 -17.836 202 HB1 ALA 31 HB1 ALA 31 1.110 -14.137 -17.967 203 HB2 ALA 31 HB2 ALA 31 1.460 -13.367 -16.418 204 HB3 ALA 31 HB3 ALA 31 1.207 -15.112 -16.502 205 H CYS 32 H CYS 32 3.450 -12.077 -16.457 206 HA CYS 32 HA CYS 32 3.729 -10.728 -18.913 207 HB2 CYS 32 HB2 CYS 32 4.529 -9.974 -16.109 208 HB3 CYS 32 HB3 CYS 32 4.823 -8.911 -17.478 209 H ALA 33 H ALA 33 6.082 -12.065 -16.679 210 HA ALA 33 HA ALA 33 8.415 -11.061 -17.771 211 HB1 ALA 33 HB1 ALA 33 7.950 -13.755 -16.504 212 HB2 ALA 33 HB2 ALA 33 8.359 -12.258 -15.662 213 HB3 ALA 33 HB3 ALA 33 9.520 -12.999 -16.765 214 H GLU 34 H GLU 34 6.695 -14.027 -18.560 215 HA GLU 34 HA GLU 34 8.561 -14.590 -20.702 216 HB2 GLU 34 HB2 GLU 34 6.257 -16.058 -19.517 217 HB3 GLU 34 HB3 GLU 34 7.164 -16.648 -20.917 218 HG2 GLU 34 HG2 GLU 34 9.216 -16.552 -19.516 219 HG3 GLU 34 HG3 GLU 34 8.183 -16.171 -18.137 220 H GLN 35 H GLN 35 6.286 -12.445 -20.686 221 HA GLN 35 HA GLN 35 5.062 -11.399 -22.302 222 HB2 GLN 35 HB2 GLN 35 6.233 -13.432 -24.207 223 HB3 GLN 35 HB3 GLN 35 5.486 -11.900 -24.639 224 HG2 GLN 35 HG2 GLN 35 8.071 -12.317 -23.165 225 HG3 GLN 35 HG3 GLN 35 7.853 -11.665 -24.788 226 HE21 GLN 35 HE21 GLN 35 7.729 -11.016 -21.406 227 HE22 GLN 35 HE22 GLN 35 7.455 -9.318 -21.533 228 H HIS 36 H HIS 36 4.036 -13.686 -20.821 229 HA HIS 36 HA HIS 36 2.183 -14.974 -20.635 230 HB2 HIS 36 HB2 HIS 36 1.080 -13.343 -22.933 231 HB3 HIS 36 HB3 HIS 36 0.158 -14.247 -21.739 232 HD1 HIS 36 HD1 HIS 36 -0.220 -13.135 -19.451 233 HD2 HIS 36 HD2 HIS 36 2.130 -10.890 -22.038 234 HE1 HIS 36 HE1 HIS 36 -0.032 -10.843 -18.393 235 HA PRO 37 HA PRO 37 3.446 -17.508 -24.333 236 HB2 PRO 37 HB2 PRO 37 4.857 -19.391 -23.100 237 HB3 PRO 37 HB3 PRO 37 5.559 -17.794 -23.389 238 HG2 PRO 37 HG2 PRO 37 4.318 -18.885 -20.887 239 HG3 PRO 37 HG3 PRO 37 5.844 -18.005 -21.074 240 HD2 PRO 37 HD2 PRO 37 3.509 -16.824 -20.287 241 HD3 PRO 37 HD3 PRO 37 4.789 -15.956 -21.162 242 H ASN 38 H ASN 38 1.906 -18.162 -21.332 243 HA ASN 38 HA ASN 38 0.903 -20.752 -22.237 244 HB2 ASN 38 HB2 ASN 38 0.380 -19.445 -19.579 245 HB3 ASN 38 HB3 ASN 38 0.240 -21.146 -19.997 246 HD21 ASN 38 HD21 ASN 38 2.190 -22.235 -20.561 247 HD22 ASN 38 HD22 ASN 38 3.674 -21.795 -19.794 248 H GLY 39 H GLY 39 0.129 -17.674 -22.624 249 HA2 GLY 39 HA2 GLY 39 -1.798 -16.675 -23.432 250 HA3 GLY 39 HA3 GLY 39 -2.617 -18.221 -23.257 251 H GLU 40 H GLU 40 -1.027 -17.172 -20.444 252 HA GLU 40 HA GLU 40 -3.600 -16.359 -19.331 253 HB2 GLU 40 HB2 GLU 40 -2.669 -16.985 -17.108 254 HB3 GLU 40 HB3 GLU 40 -2.769 -18.329 -18.224 255 HG2 GLU 40 HG2 GLU 40 -0.319 -17.978 -18.691 256 HG3 GLU 40 HG3 GLU 40 -0.312 -16.840 -17.350 257 HA PRO 41 HA PRO 41 -1.822 -12.242 -18.980 258 HB2 PRO 41 HB2 PRO 41 -4.364 -11.685 -17.597 259 HB3 PRO 41 HB3 PRO 41 -3.703 -10.943 -19.056 260 HG2 PRO 41 HG2 PRO 41 -5.811 -12.606 -19.141 261 HG3 PRO 41 HG3 PRO 41 -4.609 -12.545 -20.442 262 HD2 PRO 41 HD2 PRO 41 -4.917 -14.546 -18.237 263 HD3 PRO 41 HD3 PRO 41 -4.504 -14.796 -19.947 264 H CYS 42 H CYS 42 -1.852 -10.630 -16.998 265 HA CYS 42 HA CYS 42 -0.790 -12.111 -14.800 266 HB2 CYS 42 HB2 CYS 42 -0.140 -9.958 -13.903 267 HB3 CYS 42 HB3 CYS 42 0.152 -9.945 -15.638 268 HA PRO 43 HA PRO 43 -4.357 -12.407 -12.207 269 HB2 PRO 43 HB2 PRO 43 -3.381 -11.909 -9.725 270 HB3 PRO 43 HB3 PRO 43 -3.014 -13.385 -10.624 271 HG2 PRO 43 HG2 PRO 43 -1.377 -10.897 -10.326 272 HG3 PRO 43 HG3 PRO 43 -0.865 -12.593 -10.216 273 HD2 PRO 43 HD2 PRO 43 -0.472 -11.121 -12.429 274 HD3 PRO 43 HD3 PRO 43 -0.816 -12.859 -12.504 275 H ALA 44 H ALA 44 -4.406 -9.937 -13.443 276 HA ALA 44 HA ALA 44 -5.562 -8.254 -11.340 277 HB1 ALA 44 HB1 ALA 44 -4.767 -6.264 -12.564 278 HB2 ALA 44 HB2 ALA 44 -3.907 -7.319 -13.687 279 HB3 ALA 44 HB3 ALA 44 -3.435 -7.265 -11.989 280 HA PRO 45 HA PRO 45 -8.871 -9.112 -14.278 281 HB2 PRO 45 HB2 PRO 45 -10.902 -8.303 -12.689 282 HB3 PRO 45 HB3 PRO 45 -10.089 -9.857 -12.475 283 HG2 PRO 45 HG2 PRO 45 -9.685 -7.293 -10.986 284 HG3 PRO 45 HG3 PRO 45 -9.788 -8.949 -10.357 285 HD2 PRO 45 HD2 PRO 45 -7.441 -7.646 -10.724 286 HD3 PRO 45 HD3 PRO 45 -7.601 -9.406 -10.869 287 H ASP 46 H ASP 46 -7.745 -6.154 -13.115 288 HA ASP 46 HA ASP 46 -9.675 -4.657 -14.766 289 HB2 ASP 46 HB2 ASP 46 -9.519 -4.028 -12.354 290 HB3 ASP 46 HB3 ASP 46 -7.837 -3.585 -12.616 291 H CYS 47 H CYS 47 -6.624 -5.925 -14.884 292 HA CYS 47 HA CYS 47 -5.395 -3.677 -16.244 293 HB2 CYS 47 HB2 CYS 47 -4.212 -5.299 -14.628 294 HB3 CYS 47 HB3 CYS 47 -4.190 -6.415 -15.991 295 H HIS 48 H HIS 48 -4.588 -3.800 -18.418 296 HA HIS 48 HA HIS 48 -6.042 -5.742 -20.104 297 HB2 HIS 48 HB2 HIS 48 -5.799 -2.760 -20.576 298 HB3 HIS 48 HB3 HIS 48 -6.443 -3.902 -21.745 299 HD1 HIS 48 HD1 HIS 48 -8.905 -4.321 -21.628 300 HD2 HIS 48 HD2 HIS 48 -7.438 -2.585 -18.149 301 HE1 HIS 48 HE1 HIS 48 -10.922 -3.812 -20.224 302 HE2 HIS 48 HE2 HIS 48 -9.997 -2.917 -18.064 303 H CYS 49 H CYS 49 -3.207 -5.763 -19.290 304 HA CYS 49 HA CYS 49 -1.731 -4.849 -21.584 305 HB2 CYS 49 HB2 CYS 49 0.226 -5.797 -20.487 306 HB3 CYS 49 HB3 CYS 49 -0.708 -4.842 -19.342 307 H GLU 50 H GLU 50 -0.835 -6.034 -23.199 308 HA GLU 50 HA GLU 50 -0.538 -7.670 -24.733 309 HB2 GLU 50 HB2 GLU 50 0.279 -8.754 -22.399 310 HB3 GLU 50 HB3 GLU 50 -0.990 -9.891 -22.821 311 HG2 GLU 50 HG2 GLU 50 1.002 -10.807 -23.683 312 HG3 GLU 50 HG3 GLU 50 0.150 -10.136 -25.068 313 H ARG 51 H ARG 51 -3.334 -6.782 -23.982 314 HA ARG 51 HA ARG 51 -5.120 -8.965 -24.389 315 HB2 ARG 51 HB2 ARG 51 -5.356 -5.989 -24.506 316 HB3 ARG 51 HB3 ARG 51 -6.606 -6.930 -25.297 317 HG2 ARG 51 HG2 ARG 51 -5.865 -7.455 -22.439 318 HG3 ARG 51 HG3 ARG 51 -6.967 -6.151 -22.867 319 HD2 ARG 51 HD2 ARG 51 -8.322 -8.043 -22.343 320 HD3 ARG 51 HD3 ARG 51 -8.356 -7.877 -24.095 321 HE ARG 51 HE ARG 51 -6.953 -9.781 -24.275 322 HH11 ARG 51 HH11 ARG 51 -7.906 -9.089 -20.964 323 HH12 ARG 51 HH12 ARG 51 -7.654 -10.703 -20.412 324 HH21 ARG 51 HH21 ARG 51 -6.570 -11.921 -23.532 325 HH22 ARG 51 HH22 ARG 51 -6.872 -12.330 -21.881 326 H SER 52 H SER 52 -3.412 -6.782 -26.514 327 HA SER 52 HA SER 52 -3.070 -6.716 -28.754 328 HB2 SER 52 HB2 SER 52 -3.987 -9.598 -28.678 329 HB3 SER 52 HB3 SER 52 -3.104 -8.827 -29.995 330 HG SER 52 HG SER 52 -1.671 -8.352 -27.879 Start of MODEL 17 1 HA ASN 1 HA ASN 1 12.063 3.991 -6.606 2 HB2 ASN 1 HB2 ASN 1 12.348 2.044 -5.186 3 HB3 ASN 1 HB3 ASN 1 10.721 1.486 -5.550 4 HD21 ASN 1 HD21 ASN 1 13.967 1.860 -6.777 5 HD22 ASN 1 HD22 ASN 1 13.802 0.769 -8.106 6 H GLU 2 H GLU 2 8.640 3.468 -6.324 7 HA GLU 2 HA GLU 2 6.960 3.218 -7.825 8 HB2 GLU 2 HB2 GLU 2 8.945 4.831 -9.418 9 HB3 GLU 2 HB3 GLU 2 7.454 4.282 -10.161 10 HG2 GLU 2 HG2 GLU 2 7.150 6.534 -9.428 11 HG3 GLU 2 HG3 GLU 2 6.186 5.486 -8.395 12 H LEU 3 H LEU 3 7.923 0.890 -7.499 13 HA LEU 3 HA LEU 3 9.390 -0.384 -9.503 14 HB2 LEU 3 HB2 LEU 3 8.396 -1.153 -7.105 15 HB3 LEU 3 HB3 LEU 3 7.287 -1.989 -8.170 16 HG LEU 3 HG LEU 3 10.294 -2.312 -8.159 17 HD11 LEU 3 HD11 LEU 3 9.825 -4.550 -7.304 18 HD12 LEU 3 HD12 LEU 3 8.110 -4.149 -7.208 19 HD13 LEU 3 HD13 LEU 3 9.275 -3.290 -6.199 20 HD21 LEU 3 HD21 LEU 3 9.895 -4.174 -9.698 21 HD22 LEU 3 HD22 LEU 3 9.391 -2.633 -10.390 22 HD23 LEU 3 HD23 LEU 3 8.185 -3.752 -9.759 23 H ARG 4 H ARG 4 8.944 -1.038 -11.468 24 HA ARG 4 HA ARG 4 6.154 -0.955 -12.400 25 HB2 ARG 4 HB2 ARG 4 7.061 -0.047 -14.526 26 HB3 ARG 4 HB3 ARG 4 7.280 1.028 -13.150 27 HG2 ARG 4 HG2 ARG 4 9.612 0.067 -12.940 28 HG3 ARG 4 HG3 ARG 4 9.342 -0.673 -14.518 29 HD2 ARG 4 HD2 ARG 4 8.885 1.548 -15.451 30 HD3 ARG 4 HD3 ARG 4 9.227 2.265 -13.878 31 HE ARG 4 HE ARG 4 11.373 0.635 -14.843 32 HH11 ARG 4 HH11 ARG 4 9.965 3.852 -15.042 33 HH12 ARG 4 HH12 ARG 4 11.447 4.603 -15.522 34 HH21 ARG 4 HH21 ARG 4 13.325 1.643 -15.479 35 HH22 ARG 4 HH22 ARG 4 13.355 3.355 -15.768 36 H CYS 5 H CYS 5 5.569 -2.444 -13.963 37 HA CYS 5 HA CYS 5 7.213 -4.809 -14.153 38 HB2 CYS 5 HB2 CYS 5 4.722 -4.890 -13.794 39 HB3 CYS 5 HB3 CYS 5 4.517 -4.264 -15.424 40 H GLY 6 H GLY 6 7.922 -5.731 -16.145 41 HA2 GLY 6 HA2 GLY 6 8.944 -3.837 -17.999 42 HA3 GLY 6 HA3 GLY 6 9.075 -5.580 -18.125 43 H CYS 7 H CYS 7 5.941 -5.519 -17.935 44 HA CYS 7 HA CYS 7 5.468 -5.733 -20.718 45 HB2 CYS 7 HB2 CYS 7 4.008 -6.192 -18.294 46 HB3 CYS 7 HB3 CYS 7 3.005 -5.269 -19.406 47 HA PRO 8 HA PRO 8 4.792 -1.554 -21.876 48 HB2 PRO 8 HB2 PRO 8 3.111 -1.781 -23.976 49 HB3 PRO 8 HB3 PRO 8 4.795 -2.313 -24.046 50 HG2 PRO 8 HG2 PRO 8 2.309 -3.931 -23.645 51 HG3 PRO 8 HG3 PRO 8 3.734 -4.295 -24.635 52 HD2 PRO 8 HD2 PRO 8 3.301 -5.363 -22.157 53 HD3 PRO 8 HD3 PRO 8 4.916 -5.112 -22.848 54 H ASP 9 H ASP 9 1.732 -3.362 -21.654 55 HA ASP 9 HA ASP 9 0.321 -0.858 -21.079 56 HB2 ASP 9 HB2 ASP 9 -0.585 -2.288 -22.852 57 HB3 ASP 9 HB3 ASP 9 -0.752 -3.611 -21.710 58 H CYS 10 H CYS 10 1.678 -3.448 -19.452 59 HA CYS 10 HA CYS 10 -0.194 -3.749 -17.319 60 HB2 CYS 10 HB2 CYS 10 1.570 -5.410 -18.074 61 HB3 CYS 10 HB3 CYS 10 2.755 -4.389 -17.269 62 H HIS 11 H HIS 11 -0.076 -2.868 -15.193 63 HA HIS 11 HA HIS 11 1.921 -0.890 -14.573 64 HB2 HIS 11 HB2 HIS 11 0.345 1.037 -14.399 65 HB3 HIS 11 HB3 HIS 11 0.633 0.494 -16.046 66 HD2 HIS 11 HD2 HIS 11 -1.553 -1.197 -17.010 67 HE1 HIS 11 HE1 HIS 11 -4.381 0.775 -14.538 68 HE2 HIS 11 HE2 HIS 11 -4.038 -0.519 -16.667 69 H CYS 12 H CYS 12 0.571 -3.275 -13.285 70 HA CYS 12 HA CYS 12 -0.685 -1.973 -10.980 71 HB2 CYS 12 HB2 CYS 12 -1.396 -4.217 -10.325 72 HB3 CYS 12 HB3 CYS 12 -1.873 -3.861 -11.981 73 H LYS 13 H LYS 13 -0.114 -3.910 -9.032 74 HA LYS 13 HA LYS 13 2.465 -3.012 -8.198 75 HB2 LYS 13 HB2 LYS 13 0.764 -3.196 -6.519 76 HB3 LYS 13 HB3 LYS 13 0.456 -4.878 -6.937 77 HG2 LYS 13 HG2 LYS 13 2.872 -5.317 -6.265 78 HG3 LYS 13 HG3 LYS 13 2.842 -3.710 -5.541 79 HD2 LYS 13 HD2 LYS 13 1.059 -4.350 -4.062 80 HD3 LYS 13 HD3 LYS 13 0.878 -5.903 -4.880 81 HE2 LYS 13 HE2 LYS 13 3.333 -4.996 -3.380 82 HE3 LYS 13 HE3 LYS 13 2.096 -6.080 -2.744 83 HZ1 LYS 13 HZ1 LYS 13 3.815 -6.611 -5.107 84 HZ2 LYS 13 HZ2 LYS 13 2.619 -7.649 -4.513 85 HZ3 LYS 13 HZ3 LYS 13 3.983 -7.308 -3.572 86 H VAL 14 H VAL 14 4.323 -4.044 -8.294 87 HA VAL 14 HA VAL 14 4.427 -6.752 -9.376 88 HB VAL 14 HB VAL 14 6.646 -4.770 -8.757 89 HG11 VAL 14 HG11 VAL 14 8.114 -6.234 -10.036 90 HG12 VAL 14 HG12 VAL 14 6.794 -7.374 -10.276 91 HG13 VAL 14 HG13 VAL 14 7.429 -7.092 -8.655 92 HG21 VAL 14 HG21 VAL 14 5.396 -5.542 -11.393 93 HG22 VAL 14 HG22 VAL 14 6.802 -4.496 -11.199 94 HG23 VAL 14 HG23 VAL 14 5.233 -3.991 -10.570 95 H ASP 15 H ASP 15 5.442 -8.463 -8.190 96 HA ASP 15 HA ASP 15 5.379 -8.051 -5.303 97 HB2 ASP 15 HB2 ASP 15 5.396 -10.531 -7.013 98 HB3 ASP 15 HB3 ASP 15 5.789 -10.605 -5.304 99 HA PRO 16 HA PRO 16 9.862 -7.643 -5.667 100 HB2 PRO 16 HB2 PRO 16 9.685 -6.718 -2.891 101 HB3 PRO 16 HB3 PRO 16 10.262 -5.854 -4.318 102 HG2 PRO 16 HG2 PRO 16 7.948 -5.209 -3.092 103 HG3 PRO 16 HG3 PRO 16 8.168 -5.049 -4.844 104 HD2 PRO 16 HD2 PRO 16 6.792 -7.217 -3.300 105 HD3 PRO 16 HD3 PRO 16 6.285 -6.401 -4.798 106 H GLU 17 H GLU 17 7.924 -9.331 -3.321 107 HA GLU 17 HA GLU 17 10.119 -10.526 -1.925 108 HB2 GLU 17 HB2 GLU 17 7.737 -10.143 -1.044 109 HB3 GLU 17 HB3 GLU 17 7.289 -11.569 -1.966 110 HG2 GLU 17 HG2 GLU 17 8.884 -12.904 -0.671 111 HG3 GLU 17 HG3 GLU 17 9.324 -11.471 0.256 112 H ARG 18 H ARG 18 8.600 -11.144 -4.913 113 HA ARG 18 HA ARG 18 10.266 -13.502 -5.307 114 HB2 ARG 18 HB2 ARG 18 8.525 -14.941 -6.071 115 HB3 ARG 18 HB3 ARG 18 8.036 -14.342 -4.497 116 HG2 ARG 18 HG2 ARG 18 6.520 -12.763 -5.557 117 HG3 ARG 18 HG3 ARG 18 7.037 -13.327 -7.149 118 HD2 ARG 18 HD2 ARG 18 4.994 -14.433 -6.653 119 HD3 ARG 18 HD3 ARG 18 6.284 -15.622 -6.462 120 HE ARG 18 HE ARG 18 6.106 -14.958 -3.988 121 HH11 ARG 18 HH11 ARG 18 3.411 -15.116 -6.224 122 HH12 ARG 18 HH12 ARG 18 2.243 -15.447 -4.997 123 HH21 ARG 18 HH21 ARG 18 4.558 -15.397 -2.350 124 HH22 ARG 18 HH22 ARG 18 2.895 -15.602 -2.780 125 H VAL 19 H VAL 19 10.372 -10.836 -6.261 126 HA VAL 19 HA VAL 19 9.107 -10.421 -8.706 127 HB VAL 19 HB VAL 19 10.040 -8.549 -7.519 128 HG11 VAL 19 HG11 VAL 19 11.954 -9.572 -6.470 129 HG12 VAL 19 HG12 VAL 19 12.469 -8.154 -7.383 130 HG13 VAL 19 HG13 VAL 19 12.746 -9.770 -8.034 131 HG21 VAL 19 HG21 VAL 19 9.830 -8.291 -9.920 132 HG22 VAL 19 HG22 VAL 19 11.447 -8.955 -10.154 133 HG23 VAL 19 HG23 VAL 19 11.239 -7.406 -9.335 134 H PHE 20 H PHE 20 9.329 -11.262 -10.599 135 HA PHE 20 HA PHE 20 11.618 -12.934 -11.215 136 HB2 PHE 20 HB2 PHE 20 9.009 -12.406 -12.653 137 HB3 PHE 20 HB3 PHE 20 10.290 -13.410 -13.321 138 HD1 PHE 20 HD1 PHE 20 8.209 -13.071 -10.243 139 HD2 PHE 20 HD2 PHE 20 10.246 -15.675 -12.922 140 HE1 PHE 20 HE1 PHE 20 7.317 -15.011 -9.028 141 HE2 PHE 20 HE2 PHE 20 9.358 -17.621 -11.709 142 HZ PHE 20 HZ PHE 20 7.892 -17.289 -9.760 143 H ASN 21 H ASN 21 13.351 -11.895 -11.876 144 HA ASN 21 HA ASN 21 13.045 -9.524 -13.526 145 HB2 ASN 21 HB2 ASN 21 14.700 -9.453 -11.705 146 HB3 ASN 21 HB3 ASN 21 15.557 -10.809 -12.433 147 HD21 ASN 21 HD21 ASN 21 16.655 -10.491 -14.409 148 HD22 ASN 21 HD22 ASN 21 17.137 -8.909 -14.913 149 H HIS 22 H HIS 22 12.896 -9.742 -15.586 150 HA HIS 22 HA HIS 22 14.539 -11.768 -16.912 151 HB2 HIS 22 HB2 HIS 22 12.137 -12.523 -16.726 152 HB3 HIS 22 HB3 HIS 22 11.684 -11.132 -17.696 153 HD2 HIS 22 HD2 HIS 22 11.767 -11.567 -20.392 154 HE1 HIS 22 HE1 HIS 22 13.888 -15.235 -20.292 155 HE2 HIS 22 HE2 HIS 22 12.474 -13.698 -21.679 156 H ASP 23 H ASP 23 15.630 -11.004 -18.638 157 HA ASP 23 HA ASP 23 16.482 -9.545 -20.161 158 HB2 ASP 23 HB2 ASP 23 14.137 -9.822 -21.100 159 HB3 ASP 23 HB3 ASP 23 13.709 -8.326 -20.281 160 H GLY 24 H GLY 24 16.449 -8.906 -17.307 161 HA2 GLY 24 HA2 GLY 24 17.340 -7.217 -16.012 162 HA3 GLY 24 HA3 GLY 24 17.456 -6.229 -17.460 163 H GLU 25 H GLU 25 14.379 -7.573 -16.729 164 HA GLU 25 HA GLU 25 13.511 -4.999 -15.615 165 HB2 GLU 25 HB2 GLU 25 12.158 -6.686 -17.702 166 HB3 GLU 25 HB3 GLU 25 11.353 -5.379 -16.850 167 HG2 GLU 25 HG2 GLU 25 13.090 -3.848 -17.678 168 HG3 GLU 25 HG3 GLU 25 13.752 -5.170 -18.643 169 H ALA 26 H ALA 26 11.668 -5.052 -14.307 170 HA ALA 26 HA ALA 26 11.426 -7.552 -12.811 171 HB1 ALA 26 HB1 ALA 26 11.998 -5.538 -11.536 172 HB2 ALA 26 HB2 ALA 26 10.420 -6.159 -11.055 173 HB3 ALA 26 HB3 ALA 26 10.528 -4.751 -12.109 174 H TYR 27 H TYR 27 9.605 -8.732 -12.862 175 HA TYR 27 HA TYR 27 7.230 -7.517 -14.105 176 HB2 TYR 27 HB2 TYR 27 8.187 -10.379 -14.369 177 HB3 TYR 27 HB3 TYR 27 6.689 -9.742 -15.038 178 HD1 TYR 27 HD1 TYR 27 10.347 -9.775 -15.345 179 HD2 TYR 27 HD2 TYR 27 6.715 -8.325 -17.016 180 HE1 TYR 27 HE1 TYR 27 11.546 -9.114 -17.377 181 HE2 TYR 27 HE2 TYR 27 7.916 -7.680 -19.066 182 HH TYR 27 HH TYR 27 10.513 -7.025 -19.545 183 H CYS 28 H CYS 28 5.205 -8.114 -13.271 184 HA CYS 28 HA CYS 28 5.235 -8.645 -10.460 185 HB2 CYS 28 HB2 CYS 28 2.786 -8.409 -10.626 186 HB3 CYS 28 HB3 CYS 28 3.634 -7.077 -11.406 187 H SER 29 H SER 29 4.701 -10.536 -13.307 188 HA SER 29 HA SER 29 4.236 -12.880 -11.621 189 HB2 SER 29 HB2 SER 29 2.559 -13.668 -13.304 190 HB3 SER 29 HB3 SER 29 2.050 -12.225 -12.428 191 HG SER 29 HG SER 29 2.382 -11.003 -14.204 192 H GLN 30 H GLN 30 4.698 -14.917 -12.736 193 HA GLN 30 HA GLN 30 7.107 -14.838 -14.246 194 HB2 GLN 30 HB2 GLN 30 6.447 -16.711 -12.708 195 HB3 GLN 30 HB3 GLN 30 5.184 -17.157 -13.841 196 HG2 GLN 30 HG2 GLN 30 6.842 -17.742 -15.514 197 HG3 GLN 30 HG3 GLN 30 8.139 -17.186 -14.458 198 HE21 GLN 30 HE21 GLN 30 7.672 -19.829 -15.627 199 HE22 GLN 30 HE22 GLN 30 7.581 -20.939 -14.309 200 H ALA 31 H ALA 31 3.756 -14.816 -14.996 201 HA ALA 31 HA ALA 31 3.843 -15.744 -17.656 202 HB1 ALA 31 HB1 ALA 31 1.848 -13.894 -16.357 203 HB2 ALA 31 HB2 ALA 31 1.770 -15.656 -16.374 204 HB3 ALA 31 HB3 ALA 31 1.623 -14.754 -17.879 205 H CYS 32 H CYS 32 3.730 -12.390 -16.373 206 HA CYS 32 HA CYS 32 3.897 -11.074 -18.834 207 HB2 CYS 32 HB2 CYS 32 4.768 -10.235 -16.069 208 HB3 CYS 32 HB3 CYS 32 5.019 -9.191 -17.459 209 H ALA 33 H ALA 33 6.454 -12.329 -16.765 210 HA ALA 33 HA ALA 33 8.657 -11.217 -18.090 211 HB1 ALA 33 HB1 ALA 33 8.499 -13.830 -16.592 212 HB2 ALA 33 HB2 ALA 33 8.798 -12.247 -15.876 213 HB3 ALA 33 HB3 ALA 33 9.974 -12.949 -16.989 214 H GLU 34 H GLU 34 6.849 -14.170 -18.675 215 HA GLU 34 HA GLU 34 8.613 -14.867 -20.894 216 HB2 GLU 34 HB2 GLU 34 6.641 -16.323 -19.223 217 HB3 GLU 34 HB3 GLU 34 6.955 -16.921 -20.852 218 HG2 GLU 34 HG2 GLU 34 9.114 -16.417 -18.822 219 HG3 GLU 34 HG3 GLU 34 8.323 -17.978 -19.046 220 H GLN 35 H GLN 35 6.396 -12.720 -20.802 221 HA GLN 35 HA GLN 35 4.942 -11.764 -22.267 222 HB2 GLN 35 HB2 GLN 35 6.307 -13.699 -24.129 223 HB3 GLN 35 HB3 GLN 35 5.035 -12.628 -24.689 224 HG2 GLN 35 HG2 GLN 35 7.187 -11.676 -25.200 225 HG3 GLN 35 HG3 GLN 35 6.380 -10.693 -23.984 226 HE21 GLN 35 HE21 GLN 35 7.251 -10.540 -21.938 227 HE22 GLN 35 HE22 GLN 35 8.810 -11.163 -21.533 228 H HIS 36 H HIS 36 4.104 -14.029 -20.662 229 HA HIS 36 HA HIS 36 2.275 -15.314 -20.262 230 HB2 HIS 36 HB2 HIS 36 0.952 -13.830 -22.546 231 HB3 HIS 36 HB3 HIS 36 0.152 -14.665 -21.221 232 HD1 HIS 36 HD1 HIS 36 0.089 -13.448 -18.926 233 HD2 HIS 36 HD2 HIS 36 1.907 -11.289 -21.969 234 HE1 HIS 36 HE1 HIS 36 0.327 -11.098 -18.047 235 HA PRO 37 HA PRO 37 3.656 -18.046 -23.824 236 HB2 PRO 37 HB2 PRO 37 4.031 -20.204 -22.114 237 HB3 PRO 37 HB3 PRO 37 5.292 -19.096 -22.659 238 HG2 PRO 37 HG2 PRO 37 3.752 -19.104 -20.101 239 HG3 PRO 37 HG3 PRO 37 5.465 -18.737 -20.377 240 HD2 PRO 37 HD2 PRO 37 3.672 -16.800 -19.954 241 HD3 PRO 37 HD3 PRO 37 5.007 -16.579 -21.102 242 H ASN 38 H ASN 38 1.758 -19.193 -21.007 243 HA ASN 38 HA ASN 38 0.170 -20.877 -22.752 244 HB2 ASN 38 HB2 ASN 38 0.292 -20.494 -19.780 245 HB3 ASN 38 HB3 ASN 38 -1.076 -21.327 -20.505 246 HD21 ASN 38 HD21 ASN 38 2.153 -21.512 -21.821 247 HD22 ASN 38 HD22 ASN 38 2.441 -23.160 -21.408 248 H GLY 39 H GLY 39 0.078 -17.784 -22.621 249 HA2 GLY 39 HA2 GLY 39 -1.541 -16.265 -23.199 250 HA3 GLY 39 HA3 GLY 39 -2.686 -17.592 -23.285 251 H GLU 40 H GLU 40 -1.051 -17.394 -20.334 252 HA GLU 40 HA GLU 40 -3.485 -16.532 -19.030 253 HB2 GLU 40 HB2 GLU 40 -2.240 -17.209 -16.933 254 HB3 GLU 40 HB3 GLU 40 -2.557 -18.492 -18.085 255 HG2 GLU 40 HG2 GLU 40 -0.211 -18.165 -18.934 256 HG3 GLU 40 HG3 GLU 40 0.051 -17.099 -17.554 257 HA PRO 41 HA PRO 41 -1.803 -12.364 -18.661 258 HB2 PRO 41 HB2 PRO 41 -4.277 -11.803 -17.187 259 HB3 PRO 41 HB3 PRO 41 -3.722 -11.134 -18.723 260 HG2 PRO 41 HG2 PRO 41 -5.801 -12.840 -18.578 261 HG3 PRO 41 HG3 PRO 41 -4.695 -12.819 -19.961 262 HD2 PRO 41 HD2 PRO 41 -4.774 -14.697 -17.627 263 HD3 PRO 41 HD3 PRO 41 -4.536 -15.044 -19.355 264 H CYS 42 H CYS 42 -1.818 -10.704 -16.714 265 HA CYS 42 HA CYS 42 -0.660 -12.120 -14.504 266 HB2 CYS 42 HB2 CYS 42 0.081 -9.959 -13.710 267 HB3 CYS 42 HB3 CYS 42 0.302 -9.991 -15.449 268 HA PRO 43 HA PRO 43 -4.105 -12.299 -11.788 269 HB2 PRO 43 HB2 PRO 43 -3.048 -11.782 -9.353 270 HB3 PRO 43 HB3 PRO 43 -2.683 -13.255 -10.256 271 HG2 PRO 43 HG2 PRO 43 -1.079 -10.742 -10.010 272 HG3 PRO 43 HG3 PRO 43 -0.537 -12.429 -9.920 273 HD2 PRO 43 HD2 PRO 43 -0.257 -10.926 -12.147 274 HD3 PRO 43 HD3 PRO 43 -0.518 -12.677 -12.210 275 H ALA 44 H ALA 44 -3.960 -9.703 -13.029 276 HA ALA 44 HA ALA 44 -5.212 -8.105 -10.918 277 HB1 ALA 44 HB1 ALA 44 -3.025 -7.144 -11.413 278 HB2 ALA 44 HB2 ALA 44 -4.313 -6.081 -11.982 279 HB3 ALA 44 HB3 ALA 44 -3.427 -7.084 -13.129 280 HA PRO 45 HA PRO 45 -8.390 -8.596 -14.056 281 HB2 PRO 45 HB2 PRO 45 -10.460 -7.778 -12.527 282 HB3 PRO 45 HB3 PRO 45 -9.737 -9.382 -12.366 283 HG2 PRO 45 HG2 PRO 45 -9.356 -6.959 -10.669 284 HG3 PRO 45 HG3 PRO 45 -9.468 -8.662 -10.192 285 HD2 PRO 45 HD2 PRO 45 -7.125 -7.250 -10.412 286 HD3 PRO 45 HD3 PRO 45 -7.251 -9.016 -10.529 287 H ASP 46 H ASP 46 -7.379 -5.814 -12.392 288 HA ASP 46 HA ASP 46 -9.028 -3.967 -13.883 289 HB2 ASP 46 HB2 ASP 46 -6.776 -3.600 -11.909 290 HB3 ASP 46 HB3 ASP 46 -7.545 -2.252 -12.735 291 H CYS 47 H CYS 47 -6.104 -5.622 -14.247 292 HA CYS 47 HA CYS 47 -5.055 -3.700 -16.160 293 HB2 CYS 47 HB2 CYS 47 -3.656 -4.922 -14.341 294 HB3 CYS 47 HB3 CYS 47 -3.752 -6.308 -15.422 295 H HIS 48 H HIS 48 -4.396 -4.484 -18.274 296 HA HIS 48 HA HIS 48 -5.674 -6.906 -19.240 297 HB2 HIS 48 HB2 HIS 48 -6.780 -5.625 -21.127 298 HB3 HIS 48 HB3 HIS 48 -7.518 -5.432 -19.541 299 HD1 HIS 48 HD1 HIS 48 -5.245 -3.561 -21.936 300 HD2 HIS 48 HD2 HIS 48 -7.702 -2.865 -18.668 301 HE1 HIS 48 HE1 HIS 48 -5.389 -1.065 -21.725 302 HE2 HIS 48 HE2 HIS 48 -7.000 -0.666 -19.840 303 H CYS 49 H CYS 49 -2.986 -6.178 -18.937 304 HA CYS 49 HA CYS 49 -1.860 -5.079 -21.268 305 HB2 CYS 49 HB2 CYS 49 0.260 -5.924 -20.380 306 HB3 CYS 49 HB3 CYS 49 -0.684 -5.100 -19.141 307 H GLU 50 H GLU 50 -0.932 -5.992 -23.027 308 HA GLU 50 HA GLU 50 -0.369 -7.474 -24.617 309 HB2 GLU 50 HB2 GLU 50 0.736 -8.595 -22.635 310 HB3 GLU 50 HB3 GLU 50 -0.668 -9.636 -22.526 311 HG2 GLU 50 HG2 GLU 50 0.590 -9.561 -25.170 312 HG3 GLU 50 HG3 GLU 50 1.608 -10.207 -23.884 313 H ARG 51 H ARG 51 -3.335 -7.370 -23.187 314 HA ARG 51 HA ARG 51 -4.608 -9.379 -24.898 315 HB2 ARG 51 HB2 ARG 51 -5.747 -7.510 -22.816 316 HB3 ARG 51 HB3 ARG 51 -6.698 -8.659 -23.741 317 HG2 ARG 51 HG2 ARG 51 -5.500 -10.501 -22.742 318 HG3 ARG 51 HG3 ARG 51 -4.452 -9.375 -21.876 319 HD2 ARG 51 HD2 ARG 51 -6.132 -10.126 -20.357 320 HD3 ARG 51 HD3 ARG 51 -6.466 -8.447 -20.774 321 HE ARG 51 HE ARG 51 -7.899 -10.210 -22.468 322 HH11 ARG 51 HH11 ARG 51 -7.882 -8.886 -19.219 323 HH12 ARG 51 HH12 ARG 51 -9.582 -9.102 -18.986 324 HH21 ARG 51 HH21 ARG 51 -10.169 -10.500 -22.142 325 HH22 ARG 51 HH22 ARG 51 -10.880 -10.012 -20.641 326 H SER 52 H SER 52 -3.366 -6.615 -25.543 327 HA SER 52 HA SER 52 -5.481 -5.070 -26.653 328 HB2 SER 52 HB2 SER 52 -2.574 -4.940 -27.429 329 HB3 SER 52 HB3 SER 52 -3.769 -3.641 -27.454 330 HG SER 52 HG SER 52 -3.751 -3.576 -25.241 Start of MODEL 18 1 HA ASN 1 HA ASN 1 8.845 1.433 -3.764 2 HB2 ASN 1 HB2 ASN 1 8.091 3.679 -3.241 3 HB3 ASN 1 HB3 ASN 1 9.746 3.505 -2.672 4 HD21 ASN 1 HD21 ASN 1 7.624 5.138 -4.840 5 HD22 ASN 1 HD22 ASN 1 8.784 6.246 -5.485 6 H GLU 2 H GLU 2 10.146 2.844 -6.635 7 HA GLU 2 HA GLU 2 7.491 2.831 -7.891 8 HB2 GLU 2 HB2 GLU 2 9.008 4.926 -7.928 9 HB3 GLU 2 HB3 GLU 2 9.989 4.034 -9.080 10 HG2 GLU 2 HG2 GLU 2 8.564 5.430 -10.338 11 HG3 GLU 2 HG3 GLU 2 7.924 3.795 -10.492 12 H LEU 3 H LEU 3 7.445 0.575 -8.160 13 HA LEU 3 HA LEU 3 9.533 -0.611 -9.820 14 HB2 LEU 3 HB2 LEU 3 8.310 -1.547 -7.587 15 HB3 LEU 3 HB3 LEU 3 7.301 -2.268 -8.822 16 HG LEU 3 HG LEU 3 8.982 -3.843 -8.153 17 HD11 LEU 3 HD11 LEU 3 8.375 -3.883 -10.499 18 HD12 LEU 3 HD12 LEU 3 10.067 -4.328 -10.281 19 HD13 LEU 3 HD13 LEU 3 9.646 -2.717 -10.862 20 HD21 LEU 3 HD21 LEU 3 10.634 -2.288 -7.270 21 HD22 LEU 3 HD22 LEU 3 11.023 -1.756 -8.907 22 HD23 LEU 3 HD23 LEU 3 11.372 -3.412 -8.411 23 H ARG 4 H ARG 4 9.231 -0.752 -11.900 24 HA ARG 4 HA ARG 4 6.496 -0.672 -12.958 25 HB2 ARG 4 HB2 ARG 4 7.592 0.102 -15.078 26 HB3 ARG 4 HB3 ARG 4 7.734 1.214 -13.726 27 HG2 ARG 4 HG2 ARG 4 10.026 0.449 -13.334 28 HG3 ARG 4 HG3 ARG 4 9.882 -0.672 -14.689 29 HD2 ARG 4 HD2 ARG 4 9.669 2.333 -14.838 30 HD3 ARG 4 HD3 ARG 4 11.059 1.372 -15.335 31 HE ARG 4 HE ARG 4 9.488 0.312 -16.980 32 HH11 ARG 4 HH11 ARG 4 8.954 3.589 -15.809 33 HH12 ARG 4 HH12 ARG 4 8.080 4.080 -17.220 34 HH21 ARG 4 HH21 ARG 4 8.301 0.979 -18.842 35 HH22 ARG 4 HH22 ARG 4 7.719 2.606 -18.942 36 H CYS 5 H CYS 5 5.772 -2.249 -14.283 37 HA CYS 5 HA CYS 5 7.332 -4.674 -14.456 38 HB2 CYS 5 HB2 CYS 5 4.844 -4.629 -13.952 39 HB3 CYS 5 HB3 CYS 5 4.580 -4.118 -15.612 40 H GLY 6 H GLY 6 8.198 -5.533 -16.321 41 HA2 GLY 6 HA2 GLY 6 9.029 -3.807 -18.360 42 HA3 GLY 6 HA3 GLY 6 9.117 -5.557 -18.420 43 H CYS 7 H CYS 7 6.031 -5.499 -18.076 44 HA CYS 7 HA CYS 7 5.405 -5.721 -20.825 45 HB2 CYS 7 HB2 CYS 7 4.100 -6.236 -18.331 46 HB3 CYS 7 HB3 CYS 7 3.022 -5.304 -19.368 47 HA PRO 8 HA PRO 8 4.683 -1.569 -21.949 48 HB2 PRO 8 HB2 PRO 8 2.782 -1.846 -23.886 49 HB3 PRO 8 HB3 PRO 8 4.485 -2.251 -24.122 50 HG2 PRO 8 HG2 PRO 8 2.168 -4.044 -23.552 51 HG3 PRO 8 HG3 PRO 8 3.543 -4.297 -24.641 52 HD2 PRO 8 HD2 PRO 8 3.367 -5.435 -22.174 53 HD3 PRO 8 HD3 PRO 8 4.910 -5.023 -22.946 54 H ASP 9 H ASP 9 1.522 -3.244 -21.850 55 HA ASP 9 HA ASP 9 0.298 -0.771 -20.885 56 HB2 ASP 9 HB2 ASP 9 -0.697 -2.044 -22.811 57 HB3 ASP 9 HB3 ASP 9 -1.068 -3.349 -21.694 58 H CYS 10 H CYS 10 1.932 -2.915 -19.329 59 HA CYS 10 HA CYS 10 -0.037 -3.355 -17.194 60 HB2 CYS 10 HB2 CYS 10 1.030 -5.403 -18.111 61 HB3 CYS 10 HB3 CYS 10 2.596 -4.756 -17.639 62 H HIS 11 H HIS 11 0.269 -2.478 -15.255 63 HA HIS 11 HA HIS 11 2.769 -1.759 -14.163 64 HB2 HIS 11 HB2 HIS 11 2.472 0.107 -15.849 65 HB3 HIS 11 HB3 HIS 11 1.055 0.613 -14.934 66 HD2 HIS 11 HD2 HIS 11 1.591 1.909 -12.537 67 HE1 HIS 11 HE1 HIS 11 5.800 2.010 -12.994 68 HE2 HIS 11 HE2 HIS 11 3.851 2.682 -11.560 69 H CYS 12 H CYS 12 1.203 -3.334 -13.016 70 HA CYS 12 HA CYS 12 -0.449 -1.815 -11.122 71 HB2 CYS 12 HB2 CYS 12 -1.552 -3.957 -10.657 72 HB3 CYS 12 HB3 CYS 12 -1.636 -3.567 -12.370 73 H LYS 13 H LYS 13 -0.466 -3.981 -9.243 74 HA LYS 13 HA LYS 13 1.810 -3.318 -7.708 75 HB2 LYS 13 HB2 LYS 13 1.010 -5.057 -6.156 76 HB3 LYS 13 HB3 LYS 13 -0.269 -3.949 -6.634 77 HG2 LYS 13 HG2 LYS 13 -1.303 -5.534 -7.985 78 HG3 LYS 13 HG3 LYS 13 0.138 -6.547 -8.053 79 HD2 LYS 13 HD2 LYS 13 -0.130 -7.049 -5.668 80 HD3 LYS 13 HD3 LYS 13 -1.606 -6.079 -5.642 81 HE2 LYS 13 HE2 LYS 13 -2.627 -7.553 -7.284 82 HE3 LYS 13 HE3 LYS 13 -1.143 -8.495 -7.390 83 HZ1 LYS 13 HZ1 LYS 13 -2.761 -9.575 -5.991 84 HZ2 LYS 13 HZ2 LYS 13 -2.859 -8.219 -4.985 85 HZ3 LYS 13 HZ3 LYS 13 -1.423 -9.110 -5.070 86 H VAL 14 H VAL 14 3.725 -4.256 -7.550 87 HA VAL 14 HA VAL 14 4.216 -6.751 -9.029 88 HB VAL 14 HB VAL 14 6.147 -4.539 -8.228 89 HG11 VAL 14 HG11 VAL 14 6.717 -7.022 -9.849 90 HG12 VAL 14 HG12 VAL 14 7.214 -6.758 -8.179 91 HG13 VAL 14 HG13 VAL 14 7.858 -5.735 -9.464 92 HG21 VAL 14 HG21 VAL 14 6.341 -4.097 -10.620 93 HG22 VAL 14 HG22 VAL 14 4.669 -3.928 -10.087 94 HG23 VAL 14 HG23 VAL 14 5.174 -5.373 -10.961 95 H ASP 15 H ASP 15 5.335 -8.428 -7.924 96 HA ASP 15 HA ASP 15 5.358 -8.135 -5.006 97 HB2 ASP 15 HB2 ASP 15 5.492 -10.591 -6.773 98 HB3 ASP 15 HB3 ASP 15 5.776 -10.645 -5.041 99 HA PRO 16 HA PRO 16 9.814 -7.477 -5.806 100 HB2 PRO 16 HB2 PRO 16 9.683 -6.507 -3.020 101 HB3 PRO 16 HB3 PRO 16 10.295 -5.693 -4.463 102 HG2 PRO 16 HG2 PRO 16 7.992 -4.948 -3.335 103 HG3 PRO 16 HG3 PRO 16 8.197 -4.950 -5.096 104 HD2 PRO 16 HD2 PRO 16 6.819 -6.956 -3.351 105 HD3 PRO 16 HD3 PRO 16 6.304 -6.279 -4.908 106 H GLU 17 H GLU 17 8.161 -9.019 -3.143 107 HA GLU 17 HA GLU 17 10.395 -10.180 -1.873 108 HB2 GLU 17 HB2 GLU 17 8.163 -9.928 -0.844 109 HB3 GLU 17 HB3 GLU 17 7.536 -11.152 -1.937 110 HG2 GLU 17 HG2 GLU 17 9.041 -12.790 -0.945 111 HG3 GLU 17 HG3 GLU 17 9.655 -11.555 0.152 112 H ARG 18 H ARG 18 8.681 -10.999 -4.727 113 HA ARG 18 HA ARG 18 10.463 -13.254 -5.227 114 HB2 ARG 18 HB2 ARG 18 8.544 -14.641 -6.008 115 HB3 ARG 18 HB3 ARG 18 8.532 -14.357 -4.273 116 HG2 ARG 18 HG2 ARG 18 6.889 -12.557 -4.626 117 HG3 ARG 18 HG3 ARG 18 6.852 -12.973 -6.338 118 HD2 ARG 18 HD2 ARG 18 6.088 -15.230 -5.765 119 HD3 ARG 18 HD3 ARG 18 6.108 -14.799 -4.053 120 HE ARG 18 HE ARG 18 4.541 -13.011 -5.657 121 HH11 ARG 18 HH11 ARG 18 4.463 -16.070 -3.975 122 HH12 ARG 18 HH12 ARG 18 2.759 -16.011 -3.683 123 HH21 ARG 18 HH21 ARG 18 2.293 -12.908 -5.262 124 HH22 ARG 18 HH22 ARG 18 1.521 -14.207 -4.409 125 H VAL 19 H VAL 19 10.606 -10.726 -6.217 126 HA VAL 19 HA VAL 19 9.114 -10.177 -8.505 127 HB VAL 19 HB VAL 19 10.421 -8.471 -7.339 128 HG11 VAL 19 HG11 VAL 19 12.843 -8.282 -7.656 129 HG12 VAL 19 HG12 VAL 19 12.846 -9.840 -8.483 130 HG13 VAL 19 HG13 VAL 19 12.400 -9.748 -6.780 131 HG21 VAL 19 HG21 VAL 19 11.212 -8.803 -10.228 132 HG22 VAL 19 HG22 VAL 19 11.316 -7.303 -9.304 133 HG23 VAL 19 HG23 VAL 19 9.743 -8.036 -9.623 134 H PHE 20 H PHE 20 9.278 -10.670 -10.588 135 HA PHE 20 HA PHE 20 11.210 -12.732 -11.320 136 HB2 PHE 20 HB2 PHE 20 8.613 -11.844 -12.585 137 HB3 PHE 20 HB3 PHE 20 9.706 -13.005 -13.334 138 HD1 PHE 20 HD1 PHE 20 7.993 -12.429 -10.067 139 HD2 PHE 20 HD2 PHE 20 9.282 -15.235 -12.988 140 HE1 PHE 20 HE1 PHE 20 6.953 -14.236 -8.775 141 HE2 PHE 20 HE2 PHE 20 8.230 -17.051 -11.705 142 HZ PHE 20 HZ PHE 20 7.064 -16.554 -9.600 143 H ASN 21 H ASN 21 13.004 -11.968 -12.072 144 HA ASN 21 HA ASN 21 12.957 -9.584 -13.756 145 HB2 ASN 21 HB2 ASN 21 14.590 -9.584 -11.926 146 HB3 ASN 21 HB3 ASN 21 15.299 -11.072 -12.547 147 HD21 ASN 21 HD21 ASN 21 16.470 -11.007 -14.494 148 HD22 ASN 21 HD22 ASN 21 17.143 -9.526 -15.081 149 H HIS 22 H HIS 22 12.869 -9.851 -15.818 150 HA HIS 22 HA HIS 22 14.280 -12.107 -17.029 151 HB2 HIS 22 HB2 HIS 22 11.792 -12.569 -16.700 152 HB3 HIS 22 HB3 HIS 22 11.500 -11.300 -17.878 153 HD2 HIS 22 HD2 HIS 22 11.870 -12.023 -20.518 154 HE1 HIS 22 HE1 HIS 22 12.969 -16.047 -19.755 155 HE2 HIS 22 HE2 HIS 22 12.143 -14.404 -21.475 156 H ASP 23 H ASP 23 15.445 -11.504 -18.747 157 HA ASP 23 HA ASP 23 16.372 -10.258 -20.406 158 HB2 ASP 23 HB2 ASP 23 14.005 -10.371 -21.319 159 HB3 ASP 23 HB3 ASP 23 13.722 -8.796 -20.591 160 H GLY 24 H GLY 24 16.332 -9.418 -17.575 161 HA2 GLY 24 HA2 GLY 24 17.515 -7.762 -16.460 162 HA3 GLY 24 HA3 GLY 24 17.580 -6.843 -17.954 163 H GLU 25 H GLU 25 14.434 -7.836 -17.237 164 HA GLU 25 HA GLU 25 13.871 -5.248 -15.967 165 HB2 GLU 25 HB2 GLU 25 12.382 -6.668 -18.151 166 HB3 GLU 25 HB3 GLU 25 11.632 -5.410 -17.180 167 HG2 GLU 25 HG2 GLU 25 13.386 -3.857 -17.869 168 HG3 GLU 25 HG3 GLU 25 14.090 -5.115 -18.886 169 H ALA 26 H ALA 26 12.102 -5.137 -14.562 170 HA ALA 26 HA ALA 26 11.631 -7.660 -13.171 171 HB1 ALA 26 HB1 ALA 26 11.088 -4.819 -12.311 172 HB2 ALA 26 HB2 ALA 26 12.484 -5.791 -11.849 173 HB3 ALA 26 HB3 ALA 26 10.870 -6.257 -11.315 174 H TYR 27 H TYR 27 9.629 -8.509 -12.869 175 HA TYR 27 HA TYR 27 7.361 -7.114 -14.120 176 HB2 TYR 27 HB2 TYR 27 8.028 -10.058 -14.349 177 HB3 TYR 27 HB3 TYR 27 6.572 -9.294 -14.975 178 HD1 TYR 27 HD1 TYR 27 10.228 -9.603 -15.400 179 HD2 TYR 27 HD2 TYR 27 6.618 -8.045 -17.022 180 HE1 TYR 27 HE1 TYR 27 11.384 -9.122 -17.510 181 HE2 TYR 27 HE2 TYR 27 7.771 -7.574 -19.137 182 HH TYR 27 HH TYR 27 10.945 -8.749 -19.797 183 H CYS 28 H CYS 28 5.257 -7.740 -13.291 184 HA CYS 28 HA CYS 28 5.263 -8.094 -10.454 185 HB2 CYS 28 HB2 CYS 28 2.823 -7.977 -10.645 186 HB3 CYS 28 HB3 CYS 28 3.578 -6.704 -11.597 187 H SER 29 H SER 29 4.507 -10.074 -13.216 188 HA SER 29 HA SER 29 4.538 -12.434 -11.503 189 HB2 SER 29 HB2 SER 29 2.184 -11.882 -11.925 190 HB3 SER 29 HB3 SER 29 2.496 -11.825 -13.658 191 HG SER 29 HG SER 29 2.149 -13.985 -11.980 192 H GLN 30 H GLN 30 4.813 -14.414 -12.828 193 HA GLN 30 HA GLN 30 7.051 -14.253 -14.533 194 HB2 GLN 30 HB2 GLN 30 6.626 -16.615 -14.970 195 HB3 GLN 30 HB3 GLN 30 6.458 -16.260 -13.251 196 HG2 GLN 30 HG2 GLN 30 4.155 -16.457 -13.303 197 HG3 GLN 30 HG3 GLN 30 4.077 -16.227 -15.046 198 HE21 GLN 30 HE21 GLN 30 2.955 -18.291 -13.378 199 HE22 GLN 30 HE22 GLN 30 3.587 -19.784 -13.975 200 H ALA 31 H ALA 31 3.622 -14.236 -15.054 201 HA ALA 31 HA ALA 31 3.390 -15.070 -17.657 202 HB1 ALA 31 HB1 ALA 31 1.305 -13.799 -17.717 203 HB2 ALA 31 HB2 ALA 31 1.788 -12.934 -16.257 204 HB3 ALA 31 HB3 ALA 31 1.486 -14.671 -16.197 205 H CYS 32 H CYS 32 3.840 -11.730 -16.541 206 HA CYS 32 HA CYS 32 3.990 -10.659 -19.157 207 HB2 CYS 32 HB2 CYS 32 5.073 -9.478 -16.613 208 HB3 CYS 32 HB3 CYS 32 4.631 -8.615 -18.085 209 H ALA 33 H ALA 33 6.324 -11.990 -16.958 210 HA ALA 33 HA ALA 33 8.645 -10.965 -18.228 211 HB1 ALA 33 HB1 ALA 33 8.689 -11.790 -15.934 212 HB2 ALA 33 HB2 ALA 33 9.839 -12.672 -16.942 213 HB3 ALA 33 HB3 ALA 33 8.302 -13.415 -16.502 214 H GLU 34 H GLU 34 6.896 -14.010 -18.438 215 HA GLU 34 HA GLU 34 8.655 -15.010 -20.509 216 HB2 GLU 34 HB2 GLU 34 6.272 -16.154 -19.087 217 HB3 GLU 34 HB3 GLU 34 7.179 -17.025 -20.327 218 HG2 GLU 34 HG2 GLU 34 9.192 -16.859 -18.939 219 HG3 GLU 34 HG3 GLU 34 8.257 -16.013 -17.706 220 H GLN 35 H GLN 35 6.441 -12.777 -20.728 221 HA GLN 35 HA GLN 35 5.153 -11.912 -22.386 222 HB2 GLN 35 HB2 GLN 35 6.356 -14.098 -24.094 223 HB3 GLN 35 HB3 GLN 35 5.484 -12.696 -24.692 224 HG2 GLN 35 HG2 GLN 35 8.198 -12.838 -23.447 225 HG3 GLN 35 HG3 GLN 35 7.715 -12.134 -24.990 226 HE21 GLN 35 HE21 GLN 35 8.113 -11.625 -21.632 227 HE22 GLN 35 HE22 GLN 35 7.657 -9.960 -21.600 228 H HIS 36 H HIS 36 4.195 -14.035 -20.671 229 HA HIS 36 HA HIS 36 2.369 -15.293 -20.281 230 HB2 HIS 36 HB2 HIS 36 1.182 -13.796 -22.641 231 HB3 HIS 36 HB3 HIS 36 0.277 -14.663 -21.408 232 HD1 HIS 36 HD1 HIS 36 -0.088 -13.462 -19.149 233 HD2 HIS 36 HD2 HIS 36 2.257 -11.298 -21.806 234 HE1 HIS 36 HE1 HIS 36 0.128 -11.159 -18.142 235 HA PRO 37 HA PRO 37 3.762 -18.247 -23.634 236 HB2 PRO 37 HB2 PRO 37 4.214 -20.298 -21.846 237 HB3 PRO 37 HB3 PRO 37 5.441 -19.138 -22.369 238 HG2 PRO 37 HG2 PRO 37 3.789 -19.167 -19.883 239 HG3 PRO 37 HG3 PRO 37 5.503 -18.763 -20.084 240 HD2 PRO 37 HD2 PRO 37 3.631 -16.871 -19.788 241 HD3 PRO 37 HD3 PRO 37 5.036 -16.632 -20.847 242 H ASN 38 H ASN 38 1.947 -19.300 -20.731 243 HA ASN 38 HA ASN 38 0.291 -21.035 -22.365 244 HB2 ASN 38 HB2 ASN 38 0.569 -20.579 -19.417 245 HB3 ASN 38 HB3 ASN 38 -0.860 -21.392 -20.041 246 HD21 ASN 38 HD21 ASN 38 2.281 -21.713 -21.554 247 HD22 ASN 38 HD22 ASN 38 2.533 -23.358 -21.100 248 H GLY 39 H GLY 39 0.225 -17.945 -22.282 249 HA2 GLY 39 HA2 GLY 39 -1.390 -16.415 -22.828 250 HA3 GLY 39 HA3 GLY 39 -2.535 -17.743 -22.901 251 H GLU 40 H GLU 40 -0.848 -17.405 -19.910 252 HA GLU 40 HA GLU 40 -3.327 -16.540 -18.690 253 HB2 GLU 40 HB2 GLU 40 -2.337 -17.063 -16.541 254 HB3 GLU 40 HB3 GLU 40 -2.063 -18.402 -17.639 255 HG2 GLU 40 HG2 GLU 40 0.211 -17.997 -17.769 256 HG3 GLU 40 HG3 GLU 40 0.044 -16.320 -17.247 257 HA PRO 41 HA PRO 41 -1.819 -12.325 -18.551 258 HB2 PRO 41 HB2 PRO 41 -4.025 -11.292 -17.343 259 HB3 PRO 41 HB3 PRO 41 -3.972 -11.662 -19.070 260 HG2 PRO 41 HG2 PRO 41 -5.149 -13.253 -16.829 261 HG3 PRO 41 HG3 PRO 41 -5.799 -12.951 -18.451 262 HD2 PRO 41 HD2 PRO 41 -4.561 -15.265 -17.765 263 HD3 PRO 41 HD3 PRO 41 -4.507 -14.599 -19.410 264 H CYS 42 H CYS 42 -1.735 -10.665 -16.659 265 HA CYS 42 HA CYS 42 -0.587 -12.047 -14.436 266 HB2 CYS 42 HB2 CYS 42 0.163 -9.872 -13.711 267 HB3 CYS 42 HB3 CYS 42 0.314 -9.939 -15.464 268 HA PRO 43 HA PRO 43 -3.930 -12.287 -11.593 269 HB2 PRO 43 HB2 PRO 43 -2.914 -11.313 -9.247 270 HB3 PRO 43 HB3 PRO 43 -2.525 -12.900 -9.920 271 HG2 PRO 43 HG2 PRO 43 -0.983 -10.337 -10.111 272 HG3 PRO 43 HG3 PRO 43 -0.393 -11.972 -9.754 273 HD2 PRO 43 HD2 PRO 43 -0.122 -10.912 -12.182 274 HD3 PRO 43 HD3 PRO 43 -0.508 -12.632 -11.978 275 H ALA 44 H ALA 44 -3.374 -9.357 -12.819 276 HA ALA 44 HA ALA 44 -5.104 -7.902 -10.931 277 HB1 ALA 44 HB1 ALA 44 -4.425 -5.886 -12.158 278 HB2 ALA 44 HB2 ALA 44 -3.476 -6.882 -13.262 279 HB3 ALA 44 HB3 ALA 44 -3.025 -6.778 -11.560 280 HA PRO 45 HA PRO 45 -8.340 -8.940 -13.942 281 HB2 PRO 45 HB2 PRO 45 -10.125 -7.489 -12.109 282 HB3 PRO 45 HB3 PRO 45 -10.170 -9.183 -12.602 283 HG2 PRO 45 HG2 PRO 45 -9.472 -8.459 -10.112 284 HG3 PRO 45 HG3 PRO 45 -8.735 -9.852 -10.921 285 HD2 PRO 45 HD2 PRO 45 -7.655 -7.082 -10.557 286 HD3 PRO 45 HD3 PRO 45 -6.833 -8.650 -10.368 287 H ASP 46 H ASP 46 -7.436 -5.887 -12.684 288 HA ASP 46 HA ASP 46 -9.154 -4.328 -14.427 289 HB2 ASP 46 HB2 ASP 46 -8.660 -3.543 -12.148 290 HB3 ASP 46 HB3 ASP 46 -6.946 -3.482 -12.536 291 H CYS 47 H CYS 47 -6.224 -5.912 -14.738 292 HA CYS 47 HA CYS 47 -5.047 -3.888 -16.450 293 HB2 CYS 47 HB2 CYS 47 -3.855 -5.409 -14.659 294 HB3 CYS 47 HB3 CYS 47 -3.756 -6.528 -16.018 295 H HIS 48 H HIS 48 -4.415 -4.294 -18.606 296 HA HIS 48 HA HIS 48 -5.838 -6.520 -19.912 297 HB2 HIS 48 HB2 HIS 48 -5.796 -3.647 -20.869 298 HB3 HIS 48 HB3 HIS 48 -6.501 -5.000 -21.738 299 HD1 HIS 48 HD1 HIS 48 -8.821 -5.809 -20.977 300 HD2 HIS 48 HD2 HIS 48 -7.286 -2.722 -18.665 301 HE1 HIS 48 HE1 HIS 48 -10.743 -4.981 -19.602 302 HE2 HIS 48 HE2 HIS 48 -9.840 -2.965 -18.400 303 H CYS 49 H CYS 49 -2.968 -6.138 -19.242 304 HA CYS 49 HA CYS 49 -1.642 -5.398 -21.645 305 HB2 CYS 49 HB2 CYS 49 0.388 -6.294 -20.582 306 HB3 CYS 49 HB3 CYS 49 -0.508 -5.228 -19.507 307 H GLU 50 H GLU 50 -0.628 -6.654 -23.175 308 HA GLU 50 HA GLU 50 -0.439 -8.291 -24.711 309 HB2 GLU 50 HB2 GLU 50 0.187 -9.480 -22.334 310 HB3 GLU 50 HB3 GLU 50 -1.096 -10.529 -22.919 311 HG2 GLU 50 HG2 GLU 50 0.910 -11.475 -23.693 312 HG3 GLU 50 HG3 GLU 50 0.186 -10.681 -25.089 313 H ARG 51 H ARG 51 -3.140 -7.240 -23.788 314 HA ARG 51 HA ARG 51 -4.819 -9.340 -24.985 315 HB2 ARG 51 HB2 ARG 51 -5.618 -7.047 -23.183 316 HB3 ARG 51 HB3 ARG 51 -6.718 -8.233 -23.869 317 HG2 ARG 51 HG2 ARG 51 -4.443 -8.938 -22.039 318 HG3 ARG 51 HG3 ARG 51 -6.085 -8.609 -21.486 319 HD2 ARG 51 HD2 ARG 51 -5.353 -10.727 -23.498 320 HD3 ARG 51 HD3 ARG 51 -5.570 -11.024 -21.775 321 HE ARG 51 HE ARG 51 -7.731 -9.975 -23.497 322 HH11 ARG 51 HH11 ARG 51 -6.597 -12.176 -20.997 323 HH12 ARG 51 HH12 ARG 51 -8.154 -12.864 -20.714 324 HH21 ARG 51 HH21 ARG 51 -9.798 -10.890 -23.117 325 HH22 ARG 51 HH22 ARG 51 -9.980 -12.143 -21.932 326 H SER 52 H SER 52 -4.944 -5.811 -24.610 327 HA SER 52 HA SER 52 -5.492 -4.132 -26.022 328 HB2 SER 52 HB2 SER 52 -4.267 -5.943 -28.121 329 HB3 SER 52 HB3 SER 52 -4.517 -4.202 -28.266 330 HG SER 52 HG SER 52 -3.022 -3.864 -26.647 Start of MODEL 19 1 HA ASN 1 HA ASN 1 7.793 2.206 -4.604 2 HB2 ASN 1 HB2 ASN 1 9.783 0.172 -3.570 3 HB3 ASN 1 HB3 ASN 1 10.043 1.219 -4.958 4 HD21 ASN 1 HD21 ASN 1 11.568 1.015 -2.511 5 HD22 ASN 1 HD22 ASN 1 11.548 2.586 -1.796 6 H GLU 2 H GLU 2 6.744 1.568 -6.372 7 HA GLU 2 HA GLU 2 6.659 -1.310 -6.985 8 HB2 GLU 2 HB2 GLU 2 5.038 0.809 -8.391 9 HB3 GLU 2 HB3 GLU 2 4.785 -0.925 -8.395 10 HG2 GLU 2 HG2 GLU 2 3.084 -0.067 -7.083 11 HG3 GLU 2 HG3 GLU 2 4.265 -0.677 -5.923 12 H LEU 3 H LEU 3 8.223 -1.876 -8.342 13 HA LEU 3 HA LEU 3 9.298 0.043 -10.171 14 HB2 LEU 3 HB2 LEU 3 10.649 -1.849 -11.024 15 HB3 LEU 3 HB3 LEU 3 10.811 -1.620 -9.298 16 HG LEU 3 HG LEU 3 9.064 -3.515 -9.105 17 HD11 LEU 3 HD11 LEU 3 8.322 -3.686 -11.346 18 HD12 LEU 3 HD12 LEU 3 9.273 -5.136 -11.013 19 HD13 LEU 3 HD13 LEU 3 9.969 -3.817 -11.950 20 HD21 LEU 3 HD21 LEU 3 11.386 -3.721 -8.418 21 HD22 LEU 3 HD22 LEU 3 11.864 -4.055 -10.083 22 HD23 LEU 3 HD23 LEU 3 10.840 -5.197 -9.215 23 H ARG 4 H ARG 4 9.071 -0.047 -12.425 24 HA ARG 4 HA ARG 4 6.393 -0.679 -13.164 25 HB2 ARG 4 HB2 ARG 4 7.049 0.214 -15.370 26 HB3 ARG 4 HB3 ARG 4 7.365 1.311 -14.034 27 HG2 ARG 4 HG2 ARG 4 9.719 0.516 -14.049 28 HG3 ARG 4 HG3 ARG 4 9.341 -0.367 -15.530 29 HD2 ARG 4 HD2 ARG 4 8.663 1.718 -16.581 30 HD3 ARG 4 HD3 ARG 4 9.067 2.587 -15.102 31 HE ARG 4 HE ARG 4 11.057 1.086 -16.673 32 HH11 ARG 4 HH11 ARG 4 10.088 3.934 -14.865 33 HH12 ARG 4 HH12 ARG 4 11.623 4.707 -15.013 34 HH21 ARG 4 HH21 ARG 4 13.098 2.102 -16.858 35 HH22 ARG 4 HH22 ARG 4 13.344 3.663 -16.151 36 H CYS 5 H CYS 5 5.650 -2.192 -14.477 37 HA CYS 5 HA CYS 5 7.133 -4.604 -14.686 38 HB2 CYS 5 HB2 CYS 5 4.649 -4.391 -14.294 39 HB3 CYS 5 HB3 CYS 5 4.492 -3.909 -15.977 40 H GLY 6 H GLY 6 7.950 -5.591 -16.554 41 HA2 GLY 6 HA2 GLY 6 8.930 -3.921 -18.588 42 HA3 GLY 6 HA3 GLY 6 8.977 -5.672 -18.590 43 H CYS 7 H CYS 7 5.791 -5.263 -18.349 44 HA CYS 7 HA CYS 7 5.320 -5.639 -21.139 45 HB2 CYS 7 HB2 CYS 7 3.789 -5.891 -18.698 46 HB3 CYS 7 HB3 CYS 7 2.861 -4.996 -19.886 47 HA PRO 8 HA PRO 8 4.821 -1.510 -22.641 48 HB2 PRO 8 HB2 PRO 8 2.258 -2.235 -23.932 49 HB3 PRO 8 HB3 PRO 8 3.764 -1.669 -24.661 50 HG2 PRO 8 HG2 PRO 8 2.994 -4.211 -24.903 51 HG3 PRO 8 HG3 PRO 8 4.702 -3.781 -24.695 52 HD2 PRO 8 HD2 PRO 8 2.754 -4.832 -22.678 53 HD3 PRO 8 HD3 PRO 8 4.455 -5.272 -22.937 54 H ASP 9 H ASP 9 1.495 -2.674 -21.943 55 HA ASP 9 HA ASP 9 1.196 -0.256 -20.314 56 HB2 ASP 9 HB2 ASP 9 -0.060 -0.142 -22.511 57 HB3 ASP 9 HB3 ASP 9 -1.074 -1.449 -21.906 58 H CYS 10 H CYS 10 1.994 -1.889 -18.770 59 HA CYS 10 HA CYS 10 -0.314 -3.115 -17.451 60 HB2 CYS 10 HB2 CYS 10 1.017 -4.917 -18.438 61 HB3 CYS 10 HB3 CYS 10 2.472 -4.278 -17.686 62 H HIS 11 H HIS 11 -0.404 -2.660 -15.272 63 HA HIS 11 HA HIS 11 1.933 -1.525 -13.967 64 HB2 HIS 11 HB2 HIS 11 0.786 0.429 -14.972 65 HB3 HIS 11 HB3 HIS 11 -0.680 0.001 -14.099 66 HD2 HIS 11 HD2 HIS 11 2.895 1.431 -13.327 67 HE1 HIS 11 HE1 HIS 11 0.397 2.095 -9.969 68 HE2 HIS 11 HE2 HIS 11 2.593 2.644 -11.063 69 H CYS 12 H CYS 12 2.069 -2.954 -12.376 70 HA CYS 12 HA CYS 12 -0.189 -3.143 -10.544 71 HB2 CYS 12 HB2 CYS 12 1.366 -5.505 -11.608 72 HB3 CYS 12 HB3 CYS 12 0.197 -5.578 -10.294 73 H LYS 13 H LYS 13 0.526 -4.207 -8.456 74 HA LYS 13 HA LYS 13 2.873 -2.844 -7.540 75 HB2 LYS 13 HB2 LYS 13 1.026 -4.775 -6.125 76 HB3 LYS 13 HB3 LYS 13 2.306 -3.855 -5.345 77 HG2 LYS 13 HG2 LYS 13 1.183 -1.772 -6.030 78 HG3 LYS 13 HG3 LYS 13 -0.127 -2.733 -6.714 79 HD2 LYS 13 HD2 LYS 13 -0.674 -3.622 -4.543 80 HD3 LYS 13 HD3 LYS 13 0.728 -2.823 -3.822 81 HE2 LYS 13 HE2 LYS 13 -0.261 -0.635 -4.560 82 HE3 LYS 13 HE3 LYS 13 -1.712 -1.519 -5.020 83 HZ1 LYS 13 HZ1 LYS 13 -0.561 -1.382 -2.289 84 HZ2 LYS 13 HZ2 LYS 13 -1.954 -2.232 -2.720 85 HZ3 LYS 13 HZ3 LYS 13 -1.923 -0.545 -2.833 86 H VAL 14 H VAL 14 4.841 -3.598 -7.819 87 HA VAL 14 HA VAL 14 5.234 -6.508 -7.890 88 HB VAL 14 HB VAL 14 7.169 -4.440 -8.937 89 HG11 VAL 14 HG11 VAL 14 8.198 -6.557 -8.506 90 HG12 VAL 14 HG12 VAL 14 8.002 -6.389 -10.254 91 HG13 VAL 14 HG13 VAL 14 6.901 -7.413 -9.337 92 HG21 VAL 14 HG21 VAL 14 5.055 -5.932 -10.497 93 HG22 VAL 14 HG22 VAL 14 6.322 -4.920 -11.191 94 HG23 VAL 14 HG23 VAL 14 5.077 -4.199 -10.172 95 H ASP 15 H ASP 15 6.042 -7.307 -6.102 96 HA ASP 15 HA ASP 15 7.486 -5.621 -4.208 97 HB2 ASP 15 HB2 ASP 15 6.706 -8.535 -3.955 98 HB3 ASP 15 HB3 ASP 15 7.229 -7.469 -2.660 99 HA PRO 16 HA PRO 16 11.449 -7.160 -5.664 100 HB2 PRO 16 HB2 PRO 16 12.394 -6.592 -2.914 101 HB3 PRO 16 HB3 PRO 16 12.996 -5.981 -4.457 102 HG2 PRO 16 HG2 PRO 16 11.618 -4.399 -2.815 103 HG3 PRO 16 HG3 PRO 16 11.399 -4.304 -4.573 104 HD2 PRO 16 HD2 PRO 16 9.669 -5.627 -2.517 105 HD3 PRO 16 HD3 PRO 16 9.202 -4.647 -3.925 106 H GLU 17 H GLU 17 9.760 -8.247 -2.856 107 HA GLU 17 HA GLU 17 11.458 -10.405 -2.143 108 HB2 GLU 17 HB2 GLU 17 9.771 -9.335 -0.631 109 HB3 GLU 17 HB3 GLU 17 8.503 -10.096 -1.578 110 HG2 GLU 17 HG2 GLU 17 9.291 -12.290 -0.936 111 HG3 GLU 17 HG3 GLU 17 10.653 -11.577 -0.074 112 H ARG 18 H ARG 18 9.105 -9.977 -4.626 113 HA ARG 18 HA ARG 18 9.416 -12.805 -5.410 114 HB2 ARG 18 HB2 ARG 18 7.081 -12.831 -6.202 115 HB3 ARG 18 HB3 ARG 18 7.179 -12.594 -4.461 116 HG2 ARG 18 HG2 ARG 18 6.469 -10.423 -4.577 117 HG3 ARG 18 HG3 ARG 18 7.018 -10.216 -6.238 118 HD2 ARG 18 HD2 ARG 18 5.167 -11.358 -7.109 119 HD3 ARG 18 HD3 ARG 18 4.764 -12.075 -5.545 120 HE ARG 18 HE ARG 18 4.365 -9.610 -4.886 121 HH11 ARG 18 HH11 ARG 18 3.634 -10.979 -8.032 122 HH12 ARG 18 HH12 ARG 18 2.345 -9.876 -8.350 123 HH21 ARG 18 HH21 ARG 18 2.698 -8.164 -5.292 124 HH22 ARG 18 HH22 ARG 18 1.809 -8.235 -6.773 125 H VAL 19 H VAL 19 10.710 -10.315 -6.242 126 HA VAL 19 HA VAL 19 9.603 -9.417 -8.662 127 HB VAL 19 HB VAL 19 11.230 -8.092 -7.352 128 HG11 VAL 19 HG11 VAL 19 13.270 -10.046 -8.382 129 HG12 VAL 19 HG12 VAL 19 12.764 -9.866 -6.700 130 HG13 VAL 19 HG13 VAL 19 13.621 -8.553 -7.513 131 HG21 VAL 19 HG21 VAL 19 12.528 -7.244 -9.251 132 HG22 VAL 19 HG22 VAL 19 10.833 -7.518 -9.655 133 HG23 VAL 19 HG23 VAL 19 12.062 -8.667 -10.184 134 H PHE 20 H PHE 20 9.697 -10.204 -10.650 135 HA PHE 20 HA PHE 20 11.293 -12.602 -11.100 136 HB2 PHE 20 HB2 PHE 20 8.944 -11.406 -12.562 137 HB3 PHE 20 HB3 PHE 20 9.916 -12.701 -13.256 138 HD1 PHE 20 HD1 PHE 20 7.919 -11.841 -10.226 139 HD2 PHE 20 HD2 PHE 20 9.410 -14.907 -12.776 140 HE1 PHE 20 HE1 PHE 20 6.562 -13.502 -9.021 141 HE2 PHE 20 HE2 PHE 20 8.064 -16.570 -11.567 142 HZ PHE 20 HZ PHE 20 6.637 -15.870 -9.688 143 H ASN 21 H ASN 21 13.237 -12.221 -11.789 144 HA ASN 21 HA ASN 21 13.795 -9.854 -13.382 145 HB2 ASN 21 HB2 ASN 21 15.258 -10.374 -11.464 146 HB3 ASN 21 HB3 ASN 21 15.683 -11.908 -12.214 147 HD21 ASN 21 HD21 ASN 21 16.947 -11.888 -14.121 148 HD22 ASN 21 HD22 ASN 21 17.934 -10.526 -14.514 149 H HIS 22 H HIS 22 13.511 -10.056 -15.453 150 HA HIS 22 HA HIS 22 14.718 -12.342 -16.819 151 HB2 HIS 22 HB2 HIS 22 12.221 -12.721 -16.528 152 HB3 HIS 22 HB3 HIS 22 11.965 -11.282 -17.490 153 HD2 HIS 22 HD2 HIS 22 11.526 -11.865 -20.059 154 HE1 HIS 22 HE1 HIS 22 13.687 -15.504 -20.266 155 HE2 HIS 22 HE2 HIS 22 12.450 -13.738 -21.571 156 H ASP 23 H ASP 23 16.062 -11.601 -18.340 157 HA ASP 23 HA ASP 23 17.128 -10.239 -19.820 158 HB2 ASP 23 HB2 ASP 23 14.363 -9.047 -20.135 159 HB3 ASP 23 HB3 ASP 23 15.745 -8.541 -21.098 160 H GLY 24 H GLY 24 16.795 -9.554 -16.948 161 HA2 GLY 24 HA2 GLY 24 17.784 -7.920 -15.629 162 HA3 GLY 24 HA3 GLY 24 17.988 -6.919 -17.064 163 H GLU 25 H GLU 25 14.918 -7.951 -17.117 164 HA GLU 25 HA GLU 25 13.937 -5.465 -15.943 165 HB2 GLU 25 HB2 GLU 25 12.806 -7.350 -17.995 166 HB3 GLU 25 HB3 GLU 25 11.880 -6.034 -17.288 167 HG2 GLU 25 HG2 GLU 25 13.238 -4.418 -18.233 168 HG3 GLU 25 HG3 GLU 25 14.505 -5.581 -18.648 169 H ALA 26 H ALA 26 11.857 -5.572 -14.882 170 HA ALA 26 HA ALA 26 11.506 -8.108 -13.457 171 HB1 ALA 26 HB1 ALA 26 11.166 -5.299 -12.451 172 HB2 ALA 26 HB2 ALA 26 12.435 -6.436 -11.997 173 HB3 ALA 26 HB3 ALA 26 10.759 -6.757 -11.550 174 H TYR 27 H TYR 27 9.408 -8.753 -13.043 175 HA TYR 27 HA TYR 27 7.297 -7.229 -14.404 176 HB2 TYR 27 HB2 TYR 27 7.769 -10.208 -14.625 177 HB3 TYR 27 HB3 TYR 27 6.377 -9.354 -15.277 178 HD1 TYR 27 HD1 TYR 27 9.991 -9.986 -15.674 179 HD2 TYR 27 HD2 TYR 27 6.576 -7.999 -17.279 180 HE1 TYR 27 HE1 TYR 27 11.209 -9.574 -17.760 181 HE2 TYR 27 HE2 TYR 27 7.791 -7.596 -19.372 182 HH TYR 27 HH TYR 27 10.252 -7.413 -20.082 183 H CYS 28 H CYS 28 5.107 -7.789 -13.686 184 HA CYS 28 HA CYS 28 5.032 -8.082 -10.825 185 HB2 CYS 28 HB2 CYS 28 2.692 -7.577 -11.006 186 HB3 CYS 28 HB3 CYS 28 3.547 -6.529 -12.132 187 H SER 29 H SER 29 4.754 -10.175 -13.497 188 HA SER 29 HA SER 29 3.995 -12.356 -11.742 189 HB2 SER 29 HB2 SER 29 2.267 -13.121 -13.354 190 HB3 SER 29 HB3 SER 29 1.863 -11.574 -12.614 191 HG SER 29 HG SER 29 2.230 -10.548 -14.487 192 H GLN 30 H GLN 30 4.422 -14.441 -12.641 193 HA GLN 30 HA GLN 30 6.745 -14.646 -14.220 194 HB2 GLN 30 HB2 GLN 30 6.003 -16.383 -12.618 195 HB3 GLN 30 HB3 GLN 30 4.612 -16.721 -13.633 196 HG2 GLN 30 HG2 GLN 30 6.050 -17.542 -15.394 197 HG3 GLN 30 HG3 GLN 30 7.482 -17.105 -14.462 198 HE21 GLN 30 HE21 GLN 30 4.792 -19.292 -14.722 199 HE22 GLN 30 HE22 GLN 30 5.400 -20.486 -13.627 200 H ALA 31 H ALA 31 3.334 -14.633 -14.879 201 HA ALA 31 HA ALA 31 3.296 -15.538 -17.504 202 HB1 ALA 31 HB1 ALA 31 1.274 -15.196 -16.170 203 HB2 ALA 31 HB2 ALA 31 1.175 -14.338 -17.706 204 HB3 ALA 31 HB3 ALA 31 1.529 -13.452 -16.222 205 H CYS 32 H CYS 32 3.437 -12.134 -16.359 206 HA CYS 32 HA CYS 32 3.809 -11.010 -18.901 207 HB2 CYS 32 HB2 CYS 32 4.511 -10.013 -16.148 208 HB3 CYS 32 HB3 CYS 32 4.885 -9.074 -17.587 209 H ALA 33 H ALA 33 6.160 -12.232 -16.569 210 HA ALA 33 HA ALA 33 8.491 -11.291 -17.827 211 HB1 ALA 33 HB1 ALA 33 8.152 -13.789 -16.165 212 HB2 ALA 33 HB2 ALA 33 8.466 -12.169 -15.539 213 HB3 ALA 33 HB3 ALA 33 9.676 -12.981 -16.534 214 H GLU 34 H GLU 34 6.835 -14.395 -18.086 215 HA GLU 34 HA GLU 34 8.624 -15.357 -20.118 216 HB2 GLU 34 HB2 GLU 34 6.180 -16.397 -18.751 217 HB3 GLU 34 HB3 GLU 34 6.826 -17.209 -20.174 218 HG2 GLU 34 HG2 GLU 34 8.531 -16.626 -17.785 219 HG3 GLU 34 HG3 GLU 34 7.521 -18.069 -17.883 220 H GLN 35 H GLN 35 6.453 -13.019 -20.411 221 HA GLN 35 HA GLN 35 5.327 -12.060 -22.155 222 HB2 GLN 35 HB2 GLN 35 6.636 -14.251 -23.778 223 HB3 GLN 35 HB3 GLN 35 5.753 -12.895 -24.460 224 HG2 GLN 35 HG2 GLN 35 8.299 -12.763 -22.862 225 HG3 GLN 35 HG3 GLN 35 8.123 -12.501 -24.598 226 HE21 GLN 35 HE21 GLN 35 7.744 -11.155 -21.446 227 HE22 GLN 35 HE22 GLN 35 7.348 -9.552 -21.953 228 H HIS 36 H HIS 36 4.104 -14.043 -20.527 229 HA HIS 36 HA HIS 36 2.221 -15.278 -20.297 230 HB2 HIS 36 HB2 HIS 36 1.317 -13.866 -22.819 231 HB3 HIS 36 HB3 HIS 36 0.280 -14.657 -21.639 232 HD1 HIS 36 HD1 HIS 36 -0.005 -13.431 -19.315 233 HD2 HIS 36 HD2 HIS 36 2.095 -11.295 -22.198 234 HE1 HIS 36 HE1 HIS 36 0.075 -11.052 -18.475 235 HA PRO 37 HA PRO 37 3.909 -18.221 -23.540 236 HB2 PRO 37 HB2 PRO 37 4.587 -20.175 -21.776 237 HB3 PRO 37 HB3 PRO 37 5.664 -18.831 -22.177 238 HG2 PRO 37 HG2 PRO 37 3.812 -19.133 -19.837 239 HG3 PRO 37 HG3 PRO 37 5.509 -18.620 -19.849 240 HD2 PRO 37 HD2 PRO 37 3.530 -16.834 -19.694 241 HD3 PRO 37 HD3 PRO 37 4.984 -16.492 -20.657 242 H ASN 38 H ASN 38 1.833 -18.793 -20.750 243 HA ASN 38 HA ASN 38 0.557 -21.032 -22.139 244 HB2 ASN 38 HB2 ASN 38 0.167 -20.070 -19.294 245 HB3 ASN 38 HB3 ASN 38 -0.513 -21.531 -19.993 246 HD21 ASN 38 HD21 ASN 38 1.983 -22.081 -21.492 247 HD22 ASN 38 HD22 ASN 38 3.092 -22.688 -20.318 248 H GLY 39 H GLY 39 0.257 -17.967 -22.498 249 HA2 GLY 39 HA2 GLY 39 -1.440 -16.655 -23.333 250 HA3 GLY 39 HA3 GLY 39 -2.511 -18.041 -23.195 251 H GLU 40 H GLU 40 -1.105 -17.605 -20.245 252 HA GLU 40 HA GLU 40 -3.537 -16.498 -19.194 253 HB2 GLU 40 HB2 GLU 40 -2.437 -16.943 -16.955 254 HB3 GLU 40 HB3 GLU 40 -2.749 -18.340 -17.966 255 HG2 GLU 40 HG2 GLU 40 -0.359 -18.282 -18.674 256 HG3 GLU 40 HG3 GLU 40 -0.097 -16.991 -17.504 257 HA PRO 41 HA PRO 41 -1.818 -12.350 -19.002 258 HB2 PRO 41 HB2 PRO 41 -4.408 -11.683 -17.793 259 HB3 PRO 41 HB3 PRO 41 -3.709 -11.106 -19.306 260 HG2 PRO 41 HG2 PRO 41 -5.821 -12.786 -19.245 261 HG3 PRO 41 HG3 PRO 41 -4.608 -12.831 -20.536 262 HD2 PRO 41 HD2 PRO 41 -4.903 -14.615 -18.148 263 HD3 PRO 41 HD3 PRO 41 -4.500 -15.026 -19.830 264 H CYS 42 H CYS 42 -1.718 -10.690 -17.168 265 HA CYS 42 HA CYS 42 -0.783 -12.029 -14.851 266 HB2 CYS 42 HB2 CYS 42 -0.123 -9.846 -14.076 267 HB3 CYS 42 HB3 CYS 42 0.158 -9.913 -15.812 268 HA PRO 43 HA PRO 43 -4.346 -12.163 -12.249 269 HB2 PRO 43 HB2 PRO 43 -3.335 -11.643 -9.792 270 HB3 PRO 43 HB3 PRO 43 -2.996 -13.140 -10.669 271 HG2 PRO 43 HG2 PRO 43 -1.319 -10.671 -10.422 272 HG3 PRO 43 HG3 PRO 43 -0.832 -12.371 -10.285 273 HD2 PRO 43 HD2 PRO 43 -0.439 -10.936 -12.532 274 HD3 PRO 43 HD3 PRO 43 -0.787 -12.674 -12.570 275 H ALA 44 H ALA 44 -4.337 -9.688 -13.536 276 HA ALA 44 HA ALA 44 -5.535 -8.005 -11.455 277 HB1 ALA 44 HB1 ALA 44 -4.657 -6.001 -12.557 278 HB2 ALA 44 HB2 ALA 44 -3.789 -7.011 -13.712 279 HB3 ALA 44 HB3 ALA 44 -3.348 -7.046 -12.005 280 HA PRO 45 HA PRO 45 -8.743 -8.791 -14.526 281 HB2 PRO 45 HB2 PRO 45 -10.790 -7.802 -13.034 282 HB3 PRO 45 HB3 PRO 45 -10.120 -9.421 -12.800 283 HG2 PRO 45 HG2 PRO 45 -9.572 -6.907 -11.278 284 HG3 PRO 45 HG3 PRO 45 -9.831 -8.551 -10.665 285 HD2 PRO 45 HD2 PRO 45 -7.379 -7.466 -10.895 286 HD3 PRO 45 HD3 PRO 45 -7.676 -9.197 -11.136 287 H ASP 46 H ASP 46 -7.860 -5.812 -13.017 288 HA ASP 46 HA ASP 46 -9.533 -4.185 -14.724 289 HB2 ASP 46 HB2 ASP 46 -9.042 -3.423 -12.454 290 HB3 ASP 46 HB3 ASP 46 -7.319 -3.416 -12.816 291 H CYS 47 H CYS 47 -6.384 -5.538 -14.783 292 HA CYS 47 HA CYS 47 -5.289 -3.598 -16.574 293 HB2 CYS 47 HB2 CYS 47 -4.015 -5.021 -14.877 294 HB3 CYS 47 HB3 CYS 47 -4.146 -6.319 -16.063 295 H HIS 48 H HIS 48 -4.430 -4.187 -18.714 296 HA HIS 48 HA HIS 48 -6.037 -6.209 -20.094 297 HB2 HIS 48 HB2 HIS 48 -6.871 -4.674 -21.762 298 HB3 HIS 48 HB3 HIS 48 -7.302 -4.050 -20.175 299 HD1 HIS 48 HD1 HIS 48 -6.204 -2.845 -23.277 300 HD2 HIS 48 HD2 HIS 48 -5.006 -2.108 -19.364 301 HE1 HIS 48 HE1 HIS 48 -4.994 -0.644 -23.338 302 HE2 HIS 48 HE2 HIS 48 -4.000 -0.421 -21.041 303 H CYS 49 H CYS 49 -3.101 -5.804 -19.488 304 HA CYS 49 HA CYS 49 -1.813 -5.060 -21.880 305 HB2 CYS 49 HB2 CYS 49 0.198 -6.113 -20.900 306 HB3 CYS 49 HB3 CYS 49 -0.644 -5.092 -19.751 307 H GLU 50 H GLU 50 -1.359 -6.111 -23.706 308 HA GLU 50 HA GLU 50 -1.334 -7.652 -25.354 309 HB2 GLU 50 HB2 GLU 50 -1.130 -9.389 -23.004 310 HB3 GLU 50 HB3 GLU 50 -1.832 -10.161 -24.416 311 HG2 GLU 50 HG2 GLU 50 0.287 -9.008 -25.562 312 HG3 GLU 50 HG3 GLU 50 0.918 -9.226 -23.927 313 H ARG 51 H ARG 51 -3.948 -7.231 -23.301 314 HA ARG 51 HA ARG 51 -5.780 -8.904 -24.778 315 HB2 ARG 51 HB2 ARG 51 -6.353 -6.757 -22.726 316 HB3 ARG 51 HB3 ARG 51 -7.514 -7.912 -23.363 317 HG2 ARG 51 HG2 ARG 51 -5.099 -8.553 -21.678 318 HG3 ARG 51 HG3 ARG 51 -6.783 -8.572 -21.154 319 HD2 ARG 51 HD2 ARG 51 -5.514 -10.365 -23.222 320 HD3 ARG 51 HD3 ARG 51 -6.026 -10.829 -21.602 321 HE ARG 51 HE ARG 51 -8.303 -9.880 -22.702 322 HH11 ARG 51 HH11 ARG 51 -5.958 -12.277 -23.740 323 HH12 ARG 51 HH12 ARG 51 -7.109 -13.202 -24.635 324 HH21 ARG 51 HH21 ARG 51 -9.818 -11.091 -23.911 325 HH22 ARG 51 HH22 ARG 51 -9.313 -12.534 -24.732 326 H SER 52 H SER 52 -4.449 -5.815 -25.068 327 HA SER 52 HA SER 52 -6.496 -5.072 -27.039 328 HB2 SER 52 HB2 SER 52 -4.691 -3.193 -25.506 329 HB3 SER 52 HB3 SER 52 -6.037 -2.754 -26.560 330 HG SER 52 HG SER 52 -7.381 -3.992 -25.046 Start of MODEL 20 1 HA ASN 1 HA ASN 1 11.119 3.046 -4.472 2 HB2 ASN 1 HB2 ASN 1 11.238 0.114 -5.203 3 HB3 ASN 1 HB3 ASN 1 12.254 1.340 -5.953 4 HD21 ASN 1 HD21 ASN 1 13.011 -0.973 -4.366 5 HD22 ASN 1 HD22 ASN 1 13.909 -0.361 -3.023 6 H GLU 2 H GLU 2 8.184 1.750 -5.179 7 HA GLU 2 HA GLU 2 6.707 1.842 -6.893 8 HB2 GLU 2 HB2 GLU 2 7.128 4.270 -6.558 9 HB3 GLU 2 HB3 GLU 2 8.398 4.195 -7.769 10 HG2 GLU 2 HG2 GLU 2 6.749 3.585 -9.464 11 HG3 GLU 2 HG3 GLU 2 5.475 3.652 -8.247 12 H LEU 3 H LEU 3 7.677 -0.201 -7.560 13 HA LEU 3 HA LEU 3 9.458 -0.100 -9.856 14 HB2 LEU 3 HB2 LEU 3 9.599 -1.730 -7.851 15 HB3 LEU 3 HB3 LEU 3 8.261 -2.565 -8.602 16 HG LEU 3 HG LEU 3 10.857 -2.112 -10.064 17 HD11 LEU 3 HD11 LEU 3 11.515 -4.364 -9.359 18 HD12 LEU 3 HD12 LEU 3 10.107 -4.440 -8.301 19 HD13 LEU 3 HD13 LEU 3 11.383 -3.263 -7.988 20 HD21 LEU 3 HD21 LEU 3 10.131 -4.019 -11.371 21 HD22 LEU 3 HD22 LEU 3 8.877 -2.778 -11.381 22 HD23 LEU 3 HD23 LEU 3 8.703 -4.203 -10.356 23 H ARG 4 H ARG 4 8.817 -0.259 -11.884 24 HA ARG 4 HA ARG 4 5.975 -0.741 -12.380 25 HB2 ARG 4 HB2 ARG 4 6.364 0.315 -14.577 26 HB3 ARG 4 HB3 ARG 4 6.786 1.367 -13.238 27 HG2 ARG 4 HG2 ARG 4 9.177 0.778 -13.604 28 HG3 ARG 4 HG3 ARG 4 8.685 -0.140 -15.031 29 HD2 ARG 4 HD2 ARG 4 7.732 1.886 -16.013 30 HD3 ARG 4 HD3 ARG 4 8.179 2.794 -14.573 31 HE ARG 4 HE ARG 4 10.118 1.614 -16.465 32 HH11 ARG 4 HH11 ARG 4 9.207 4.084 -14.140 33 HH12 ARG 4 HH12 ARG 4 10.597 5.064 -14.440 34 HH21 ARG 4 HH21 ARG 4 11.956 2.927 -16.876 35 HH22 ARG 4 HH22 ARG 4 12.166 4.409 -16.001 36 H CYS 5 H CYS 5 5.226 -2.309 -13.714 37 HA CYS 5 HA CYS 5 6.820 -4.606 -14.139 38 HB2 CYS 5 HB2 CYS 5 4.289 -4.536 -13.830 39 HB3 CYS 5 HB3 CYS 5 4.175 -3.953 -15.483 40 H GLY 6 H GLY 6 7.275 -5.565 -16.296 41 HA2 GLY 6 HA2 GLY 6 8.464 -3.566 -18.010 42 HA3 GLY 6 HA3 GLY 6 8.606 -5.306 -18.183 43 H CYS 7 H CYS 7 5.439 -4.988 -17.918 44 HA CYS 7 HA CYS 7 5.006 -5.273 -20.717 45 HB2 CYS 7 HB2 CYS 7 3.568 -5.789 -18.306 46 HB3 CYS 7 HB3 CYS 7 2.540 -4.881 -19.413 47 HA PRO 8 HA PRO 8 4.332 -1.099 -21.847 48 HB2 PRO 8 HB2 PRO 8 2.745 -1.375 -24.012 49 HB3 PRO 8 HB3 PRO 8 4.443 -1.866 -24.012 50 HG2 PRO 8 HG2 PRO 8 1.988 -3.548 -23.668 51 HG3 PRO 8 HG3 PRO 8 3.433 -3.867 -24.646 52 HD2 PRO 8 HD2 PRO 8 3.027 -4.980 -22.198 53 HD3 PRO 8 HD3 PRO 8 4.645 -4.613 -22.834 54 H ASP 9 H ASP 9 1.642 -3.020 -20.891 55 HA ASP 9 HA ASP 9 0.061 -0.570 -20.448 56 HB2 ASP 9 HB2 ASP 9 -0.816 -3.130 -21.720 57 HB3 ASP 9 HB3 ASP 9 -1.970 -2.190 -20.784 58 H CYS 10 H CYS 10 1.795 -2.280 -18.723 59 HA CYS 10 HA CYS 10 -0.280 -3.031 -16.794 60 HB2 CYS 10 HB2 CYS 10 0.667 -5.002 -17.976 61 HB3 CYS 10 HB3 CYS 10 2.240 -4.584 -17.310 62 H HIS 11 H HIS 11 0.576 -3.296 -14.584 63 HA HIS 11 HA HIS 11 3.029 -1.979 -13.890 64 HB2 HIS 11 HB2 HIS 11 1.511 -0.040 -14.220 65 HB3 HIS 11 HB3 HIS 11 0.406 -0.723 -13.035 66 HD2 HIS 11 HD2 HIS 11 4.055 0.778 -13.076 67 HE1 HIS 11 HE1 HIS 11 2.427 1.129 -9.180 68 HE2 HIS 11 HE2 HIS 11 4.199 1.926 -10.774 69 H CYS 12 H CYS 12 -0.136 -2.615 -12.363 70 HA CYS 12 HA CYS 12 -0.764 -3.734 -10.515 71 HB2 CYS 12 HB2 CYS 12 1.181 -5.520 -11.857 72 HB3 CYS 12 HB3 CYS 12 0.649 -5.984 -10.246 73 H LYS 13 H LYS 13 0.449 -5.244 -8.621 74 HA LYS 13 HA LYS 13 2.271 -3.340 -7.320 75 HB2 LYS 13 HB2 LYS 13 0.416 -5.377 -6.062 76 HB3 LYS 13 HB3 LYS 13 1.432 -4.232 -5.197 77 HG2 LYS 13 HG2 LYS 13 0.144 -2.382 -5.981 78 HG3 LYS 13 HG3 LYS 13 -0.759 -3.413 -7.090 79 HD2 LYS 13 HD2 LYS 13 -2.114 -2.915 -5.147 80 HD3 LYS 13 HD3 LYS 13 -1.693 -4.628 -5.154 81 HE2 LYS 13 HE2 LYS 13 0.086 -4.197 -3.529 82 HE3 LYS 13 HE3 LYS 13 -0.318 -2.480 -3.540 83 HZ1 LYS 13 HZ1 LYS 13 -1.297 -3.602 -1.646 84 HZ2 LYS 13 HZ2 LYS 13 -2.117 -4.670 -2.669 85 HZ3 LYS 13 HZ3 LYS 13 -2.503 -3.024 -2.681 86 H VAL 14 H VAL 14 4.240 -4.120 -7.869 87 HA VAL 14 HA VAL 14 4.720 -6.976 -7.452 88 HB VAL 14 HB VAL 14 5.127 -6.342 -9.733 89 HG11 VAL 14 HG11 VAL 14 5.464 -3.962 -9.433 90 HG12 VAL 14 HG12 VAL 14 6.749 -4.670 -10.404 91 HG13 VAL 14 HG13 VAL 14 7.043 -4.264 -8.710 92 HG21 VAL 14 HG21 VAL 14 7.473 -6.991 -10.005 93 HG22 VAL 14 HG22 VAL 14 6.654 -7.991 -8.803 94 HG23 VAL 14 HG23 VAL 14 7.747 -6.705 -8.285 95 H ASP 15 H ASP 15 6.152 -7.658 -6.012 96 HA ASP 15 HA ASP 15 7.337 -5.688 -4.207 97 HB2 ASP 15 HB2 ASP 15 5.975 -7.878 -3.574 98 HB3 ASP 15 HB3 ASP 15 7.531 -8.630 -3.834 99 HA PRO 16 HA PRO 16 11.402 -6.244 -6.072 100 HB2 PRO 16 HB2 PRO 16 12.244 -5.327 -3.371 101 HB3 PRO 16 HB3 PRO 16 12.708 -4.720 -4.964 102 HG2 PRO 16 HG2 PRO 16 11.002 -3.360 -3.460 103 HG3 PRO 16 HG3 PRO 16 10.761 -3.490 -5.212 104 HD2 PRO 16 HD2 PRO 16 9.372 -4.937 -2.997 105 HD3 PRO 16 HD3 PRO 16 8.713 -4.280 -4.509 106 H GLU 17 H GLU 17 10.408 -7.626 -2.950 107 HA GLU 17 HA GLU 17 12.769 -9.262 -2.764 108 HB2 GLU 17 HB2 GLU 17 10.185 -9.281 -1.218 109 HB3 GLU 17 HB3 GLU 17 11.482 -10.428 -0.927 110 HG2 GLU 17 HG2 GLU 17 12.986 -8.456 -0.510 111 HG3 GLU 17 HG3 GLU 17 11.541 -7.450 -0.556 112 H ARG 18 H ARG 18 9.494 -9.691 -3.958 113 HA ARG 18 HA ARG 18 10.263 -12.399 -4.849 114 HB2 ARG 18 HB2 ARG 18 7.907 -12.996 -4.898 115 HB3 ARG 18 HB3 ARG 18 8.353 -12.438 -3.297 116 HG2 ARG 18 HG2 ARG 18 7.162 -10.461 -3.545 117 HG3 ARG 18 HG3 ARG 18 7.048 -10.640 -5.301 118 HD2 ARG 18 HD2 ARG 18 4.918 -11.177 -4.246 119 HD3 ARG 18 HD3 ARG 18 5.622 -12.610 -4.991 120 HE ARG 18 HE ARG 18 6.364 -12.454 -2.269 121 HH11 ARG 18 HH11 ARG 18 3.599 -13.159 -4.318 122 HH12 ARG 18 HH12 ARG 18 2.858 -14.232 -3.183 123 HH21 ARG 18 HH21 ARG 18 5.386 -13.899 -0.755 124 HH22 ARG 18 HH22 ARG 18 3.883 -14.657 -1.151 125 H VAL 19 H VAL 19 10.714 -9.728 -6.034 126 HA VAL 19 HA VAL 19 9.044 -9.306 -8.223 127 HB VAL 19 HB VAL 19 10.664 -7.628 -7.362 128 HG11 VAL 19 HG11 VAL 19 13.002 -7.706 -8.093 129 HG12 VAL 19 HG12 VAL 19 12.733 -9.319 -8.753 130 HG13 VAL 19 HG13 VAL 19 12.598 -9.042 -7.016 131 HG21 VAL 19 HG21 VAL 19 10.921 -8.265 -10.298 132 HG22 VAL 19 HG22 VAL 19 11.320 -6.718 -9.552 133 HG23 VAL 19 HG23 VAL 19 9.655 -7.299 -9.541 134 H PHE 20 H PHE 20 9.075 -9.959 -10.274 135 HA PHE 20 HA PHE 20 10.675 -12.329 -10.797 136 HB2 PHE 20 HB2 PHE 20 8.227 -11.237 -12.208 137 HB3 PHE 20 HB3 PHE 20 9.033 -12.758 -12.586 138 HD1 PHE 20 HD1 PHE 20 7.458 -10.989 -9.679 139 HD2 PHE 20 HD2 PHE 20 8.219 -14.695 -11.625 140 HE1 PHE 20 HE1 PHE 20 6.081 -12.143 -8.006 141 HE2 PHE 20 HE2 PHE 20 6.833 -15.849 -9.950 142 HZ PHE 20 HZ PHE 20 5.758 -14.575 -8.147 143 H ASN 21 H ASN 21 12.535 -11.793 -11.625 144 HA ASN 21 HA ASN 21 12.643 -9.697 -13.668 145 HB2 ASN 21 HB2 ASN 21 14.240 -9.419 -11.825 146 HB3 ASN 21 HB3 ASN 21 14.878 -11.032 -12.124 147 HD21 ASN 21 HD21 ASN 21 16.074 -11.413 -14.033 148 HD22 ASN 21 HD22 ASN 21 16.847 -10.112 -14.866 149 H HIS 22 H HIS 22 12.548 -10.368 -15.638 150 HA HIS 22 HA HIS 22 13.767 -12.946 -16.276 151 HB2 HIS 22 HB2 HIS 22 11.185 -12.851 -15.981 152 HB3 HIS 22 HB3 HIS 22 11.208 -12.084 -17.566 153 HD2 HIS 22 HD2 HIS 22 11.614 -13.794 -19.676 154 HE1 HIS 22 HE1 HIS 22 11.991 -17.319 -17.364 155 HE2 HIS 22 HE2 HIS 22 11.412 -16.359 -19.605 156 H ASP 23 H ASP 23 15.067 -12.856 -17.957 157 HA ASP 23 HA ASP 23 16.217 -12.145 -19.768 158 HB2 ASP 23 HB2 ASP 23 13.910 -12.159 -20.838 159 HB3 ASP 23 HB3 ASP 23 13.823 -10.435 -20.500 160 H GLY 24 H GLY 24 16.032 -10.663 -17.186 161 HA2 GLY 24 HA2 GLY 24 17.447 -8.989 -16.378 162 HA3 GLY 24 HA3 GLY 24 17.665 -8.416 -18.021 163 H GLU 25 H GLU 25 14.409 -8.871 -17.226 164 HA GLU 25 HA GLU 25 14.181 -6.071 -16.396 165 HB2 GLU 25 HB2 GLU 25 13.595 -6.900 -18.913 166 HB3 GLU 25 HB3 GLU 25 12.031 -7.078 -18.128 167 HG2 GLU 25 HG2 GLU 25 12.002 -4.789 -17.502 168 HG3 GLU 25 HG3 GLU 25 13.675 -4.584 -18.024 169 H ALA 26 H ALA 26 12.381 -5.571 -15.095 170 HA ALA 26 HA ALA 26 11.467 -7.868 -13.557 171 HB1 ALA 26 HB1 ALA 26 11.191 -4.923 -12.990 172 HB2 ALA 26 HB2 ALA 26 12.460 -5.980 -12.372 173 HB3 ALA 26 HB3 ALA 26 10.784 -6.236 -11.885 174 H TYR 27 H TYR 27 9.419 -8.529 -13.339 175 HA TYR 27 HA TYR 27 7.256 -7.005 -14.622 176 HB2 TYR 27 HB2 TYR 27 7.751 -9.981 -14.931 177 HB3 TYR 27 HB3 TYR 27 6.330 -9.126 -15.518 178 HD1 TYR 27 HD1 TYR 27 9.877 -9.802 -16.078 179 HD2 TYR 27 HD2 TYR 27 6.495 -7.608 -17.432 180 HE1 TYR 27 HE1 TYR 27 11.056 -9.288 -18.173 181 HE2 TYR 27 HE2 TYR 27 7.661 -7.094 -19.530 182 HH TYR 27 HH TYR 27 10.232 -6.894 -20.180 183 H CYS 28 H CYS 28 5.039 -7.852 -13.879 184 HA CYS 28 HA CYS 28 5.125 -7.941 -11.008 185 HB2 CYS 28 HB2 CYS 28 2.783 -7.583 -11.030 186 HB3 CYS 28 HB3 CYS 28 3.409 -6.658 -12.387 187 H SER 29 H SER 29 4.616 -10.282 -13.522 188 HA SER 29 HA SER 29 4.466 -12.369 -11.506 189 HB2 SER 29 HB2 SER 29 2.497 -13.394 -12.660 190 HB3 SER 29 HB3 SER 29 2.133 -11.862 -11.867 191 HG SER 29 HG SER 29 2.080 -10.847 -13.820 192 H GLN 30 H GLN 30 4.506 -14.589 -12.607 193 HA GLN 30 HA GLN 30 6.706 -14.718 -14.364 194 HB2 GLN 30 HB2 GLN 30 4.665 -16.867 -13.699 195 HB3 GLN 30 HB3 GLN 30 6.183 -17.148 -14.537 196 HG2 GLN 30 HG2 GLN 30 7.384 -16.313 -12.528 197 HG3 GLN 30 HG3 GLN 30 5.836 -16.201 -11.699 198 HE21 GLN 30 HE21 GLN 30 6.438 -17.682 -10.123 199 HE22 GLN 30 HE22 GLN 30 6.599 -19.370 -10.448 200 H ALA 31 H ALA 31 3.290 -14.467 -14.891 201 HA ALA 31 HA ALA 31 3.131 -15.402 -17.538 202 HB1 ALA 31 HB1 ALA 31 1.153 -15.043 -16.156 203 HB2 ALA 31 HB2 ALA 31 1.035 -14.142 -17.668 204 HB3 ALA 31 HB3 ALA 31 1.446 -13.303 -16.172 205 H CYS 32 H CYS 32 3.373 -12.031 -16.355 206 HA CYS 32 HA CYS 32 3.751 -10.892 -18.919 207 HB2 CYS 32 HB2 CYS 32 4.462 -9.860 -16.162 208 HB3 CYS 32 HB3 CYS 32 4.680 -8.912 -17.627 209 H ALA 33 H ALA 33 5.945 -12.135 -16.491 210 HA ALA 33 HA ALA 33 8.375 -11.211 -17.492 211 HB1 ALA 33 HB1 ALA 33 7.742 -13.751 -16.007 212 HB2 ALA 33 HB2 ALA 33 8.207 -12.201 -15.301 213 HB3 ALA 33 HB3 ALA 33 9.361 -13.117 -16.272 214 H GLU 34 H GLU 34 6.505 -14.069 -18.315 215 HA GLU 34 HA GLU 34 8.531 -14.884 -20.226 216 HB2 GLU 34 HB2 GLU 34 6.213 -16.165 -18.912 217 HB3 GLU 34 HB3 GLU 34 6.690 -16.755 -20.501 218 HG2 GLU 34 HG2 GLU 34 8.620 -16.503 -18.216 219 HG3 GLU 34 HG3 GLU 34 7.682 -17.966 -18.527 220 H GLN 35 H GLN 35 6.274 -12.647 -20.387 221 HA GLN 35 HA GLN 35 5.212 -11.552 -22.083 222 HB2 GLN 35 HB2 GLN 35 6.644 -13.532 -23.867 223 HB3 GLN 35 HB3 GLN 35 5.796 -12.096 -24.427 224 HG2 GLN 35 HG2 GLN 35 8.204 -12.156 -22.629 225 HG3 GLN 35 HG3 GLN 35 8.177 -11.705 -24.334 226 HE21 GLN 35 HE21 GLN 35 8.958 -10.205 -21.929 227 HE22 GLN 35 HE22 GLN 35 8.006 -8.761 -21.953 228 H HIS 36 H HIS 36 3.958 -13.768 -20.744 229 HA HIS 36 HA HIS 36 2.055 -15.019 -20.778 230 HB2 HIS 36 HB2 HIS 36 1.267 -13.279 -23.125 231 HB3 HIS 36 HB3 HIS 36 0.183 -14.187 -22.079 232 HD1 HIS 36 HD1 HIS 36 -0.097 -13.266 -19.613 233 HD2 HIS 36 HD2 HIS 36 2.012 -10.809 -22.207 234 HE1 HIS 36 HE1 HIS 36 -0.022 -11.006 -18.500 235 HA PRO 37 HA PRO 37 3.660 -17.451 -24.507 236 HB2 PRO 37 HB2 PRO 37 4.741 -19.506 -23.136 237 HB3 PRO 37 HB3 PRO 37 5.638 -18.015 -23.453 238 HG2 PRO 37 HG2 PRO 37 4.128 -18.824 -20.996 239 HG3 PRO 37 HG3 PRO 37 5.762 -18.155 -21.123 240 HD2 PRO 37 HD2 PRO 37 3.651 -16.601 -20.492 241 HD3 PRO 37 HD3 PRO 37 4.973 -15.987 -21.508 242 H ASN 38 H ASN 38 2.172 -18.584 -21.490 243 HA ASN 38 HA ASN 38 0.868 -20.801 -22.796 244 HB2 ASN 38 HB2 ASN 38 0.418 -19.656 -20.026 245 HB3 ASN 38 HB3 ASN 38 -0.222 -21.181 -20.620 246 HD21 ASN 38 HD21 ASN 38 2.252 -21.857 -22.048 247 HD22 ASN 38 HD22 ASN 38 3.383 -22.322 -20.828 248 H GLY 39 H GLY 39 0.368 -17.578 -22.830 249 HA2 GLY 39 HA2 GLY 39 -1.386 -16.397 -23.770 250 HA3 GLY 39 HA3 GLY 39 -2.353 -17.865 -23.745 251 H GLU 40 H GLU 40 -0.883 -17.278 -20.774 252 HA GLU 40 HA GLU 40 -3.447 -16.469 -19.686 253 HB2 GLU 40 HB2 GLU 40 -2.623 -17.122 -17.528 254 HB3 GLU 40 HB3 GLU 40 -2.232 -18.394 -18.672 255 HG2 GLU 40 HG2 GLU 40 0.048 -17.729 -18.748 256 HG3 GLU 40 HG3 GLU 40 -0.289 -16.270 -17.820 257 HA PRO 41 HA PRO 41 -1.954 -12.256 -19.198 258 HB2 PRO 41 HB2 PRO 41 -4.510 -11.922 -17.780 259 HB3 PRO 41 HB3 PRO 41 -3.939 -11.116 -19.245 260 HG2 PRO 41 HG2 PRO 41 -5.918 -12.949 -19.292 261 HG3 PRO 41 HG3 PRO 41 -4.774 -12.750 -20.631 262 HD2 PRO 41 HD2 PRO 41 -4.833 -14.829 -18.479 263 HD3 PRO 41 HD3 PRO 41 -4.458 -14.992 -20.209 264 H CYS 42 H CYS 42 -1.954 -10.765 -17.155 265 HA CYS 42 HA CYS 42 -0.877 -12.324 -15.009 266 HB2 CYS 42 HB2 CYS 42 -0.274 -10.195 -14.025 267 HB3 CYS 42 HB3 CYS 42 0.040 -10.121 -15.755 268 HA PRO 43 HA PRO 43 -4.439 -12.752 -12.438 269 HB2 PRO 43 HB2 PRO 43 -3.501 -12.341 -9.931 270 HB3 PRO 43 HB3 PRO 43 -3.100 -13.770 -10.889 271 HG2 PRO 43 HG2 PRO 43 -1.500 -11.276 -10.453 272 HG3 PRO 43 HG3 PRO 43 -0.966 -12.966 -10.415 273 HD2 PRO 43 HD2 PRO 43 -0.569 -11.377 -12.556 274 HD3 PRO 43 HD3 PRO 43 -0.867 -13.118 -12.713 275 H ALA 44 H ALA 44 -4.371 -10.088 -13.530 276 HA ALA 44 HA ALA 44 -5.703 -8.646 -11.329 277 HB1 ALA 44 HB1 ALA 44 -4.029 -7.418 -13.518 278 HB2 ALA 44 HB2 ALA 44 -3.562 -7.571 -11.825 279 HB3 ALA 44 HB3 ALA 44 -4.917 -6.534 -12.277 280 HA PRO 45 HA PRO 45 -8.988 -9.255 -14.383 281 HB2 PRO 45 HB2 PRO 45 -10.655 -8.039 -12.281 282 HB3 PRO 45 HB3 PRO 45 -10.801 -9.620 -13.052 283 HG2 PRO 45 HG2 PRO 45 -9.978 -9.361 -10.513 284 HG3 PRO 45 HG3 PRO 45 -9.339 -10.622 -11.581 285 HD2 PRO 45 HD2 PRO 45 -8.107 -8.021 -10.769 286 HD3 PRO 45 HD3 PRO 45 -7.359 -9.624 -10.940 287 H ASP 46 H ASP 46 -8.118 -6.388 -12.651 288 HA ASP 46 HA ASP 46 -9.781 -4.683 -14.318 289 HB2 ASP 46 HB2 ASP 46 -8.822 -2.826 -12.973 290 HB3 ASP 46 HB3 ASP 46 -9.611 -4.051 -11.994 291 H CYS 47 H CYS 47 -6.867 -6.167 -14.678 292 HA CYS 47 HA CYS 47 -5.664 -3.944 -16.124 293 HB2 CYS 47 HB2 CYS 47 -4.376 -5.422 -14.471 294 HB3 CYS 47 HB3 CYS 47 -4.418 -6.646 -15.739 295 H HIS 48 H HIS 48 -4.970 -4.181 -18.310 296 HA HIS 48 HA HIS 48 -6.145 -6.413 -19.801 297 HB2 HIS 48 HB2 HIS 48 -6.598 -3.495 -20.486 298 HB3 HIS 48 HB3 HIS 48 -7.067 -4.861 -21.486 299 HD1 HIS 48 HD1 HIS 48 -8.344 -2.642 -18.937 300 HD2 HIS 48 HD2 HIS 48 -9.078 -6.558 -20.124 301 HE1 HIS 48 HE1 HIS 48 -10.587 -3.236 -17.976 302 HE2 HIS 48 HE2 HIS 48 -11.060 -5.559 -18.809 303 H CYS 49 H CYS 49 -3.461 -6.159 -19.223 304 HA CYS 49 HA CYS 49 -2.143 -4.781 -21.380 305 HB2 CYS 49 HB2 CYS 49 -0.076 -5.627 -20.400 306 HB3 CYS 49 HB3 CYS 49 -1.098 -4.900 -19.166 307 H GLU 50 H GLU 50 -0.932 -5.734 -23.028 308 HA GLU 50 HA GLU 50 -0.450 -7.189 -24.701 309 HB2 GLU 50 HB2 GLU 50 0.282 -8.496 -22.502 310 HB3 GLU 50 HB3 GLU 50 -1.043 -9.551 -22.963 311 HG2 GLU 50 HG2 GLU 50 0.838 -10.546 -23.907 312 HG3 GLU 50 HG3 GLU 50 0.091 -9.686 -25.250 313 H ARG 51 H ARG 51 -3.284 -6.385 -24.030 314 HA ARG 51 HA ARG 51 -4.971 -8.581 -24.674 315 HB2 ARG 51 HB2 ARG 51 -6.804 -6.993 -24.776 316 HB3 ARG 51 HB3 ARG 51 -5.800 -6.653 -23.377 317 HG2 ARG 51 HG2 ARG 51 -4.781 -4.774 -24.550 318 HG3 ARG 51 HG3 ARG 51 -5.739 -5.140 -25.985 319 HD2 ARG 51 HD2 ARG 51 -6.838 -4.335 -23.282 320 HD3 ARG 51 HD3 ARG 51 -6.728 -3.295 -24.698 321 HE ARG 51 HE ARG 51 -8.201 -5.651 -25.280 322 HH11 ARG 51 HH11 ARG 51 -8.460 -2.550 -23.663 323 HH12 ARG 51 HH12 ARG 51 -10.179 -2.461 -23.844 324 HH21 ARG 51 HH21 ARG 51 -10.461 -5.529 -25.529 325 HH22 ARG 51 HH22 ARG 51 -11.322 -4.158 -24.913 326 H SER 52 H SER 52 -2.946 -6.748 -26.596 327 HA SER 52 HA SER 52 -4.530 -6.978 -29.014 328 HB2 SER 52 HB2 SER 52 -1.639 -6.156 -28.665 329 HB3 SER 52 HB3 SER 52 -2.609 -5.962 -30.124 330 HG SER 52 HG SER 52 -2.673 -4.541 -27.722
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