NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585640 | 2mub | 25205 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.404 -0.479 0.576 2 HA2 GLY 1 HA2 GLY 1 2.813 -0.140 -1.426 3 HA3 GLY 1 HA3 GLY 1 1.228 -0.752 -1.877 4 H THR 2 H THR 2 3.016 0.802 -3.507 5 HA THR 2 HA THR 2 1.735 3.422 -3.671 6 HB THR 2 HB THR 2 3.854 2.531 -5.587 7 HG1 THR 2 HG1 THR 2 5.334 3.432 -3.876 8 HG21 THR 2 HG21 THR 2 4.541 4.957 -5.169 9 HG22 THR 2 HG22 THR 2 3.001 5.125 -4.326 10 HG23 THR 2 HG23 THR 2 3.028 4.690 -6.034 11 H ALA 3 H ALA 3 1.130 4.225 -5.863 12 HA ALA 3 HA ALA 3 -0.513 2.221 -7.189 13 HB1 ALA 3 HB1 ALA 3 -0.382 5.210 -7.571 14 HB2 ALA 3 HB2 ALA 3 -1.550 4.126 -8.327 15 HB3 ALA 3 HB3 ALA 3 -1.548 4.337 -6.576 16 H CYS 4 H CYS 4 0.111 1.212 -8.973 17 HA CYS 4 HA CYS 4 2.103 2.519 -10.709 18 HB2 CYS 4 HB2 CYS 4 2.809 0.140 -11.295 19 HB3 CYS 4 HB3 CYS 4 3.254 0.718 -9.693 20 H SER 5 H SER 5 2.102 1.493 -12.964 21 HA SER 5 HA SER 5 -0.620 0.775 -13.804 22 HB2 SER 5 HB2 SER 5 0.719 2.458 -15.763 23 HB3 SER 5 HB3 SER 5 -0.897 2.609 -15.074 24 HG SER 5 HG SER 5 0.095 4.363 -14.310 25 H CYS 6 H CYS 6 -0.757 -0.622 -15.522 26 HA CYS 6 HA CYS 6 1.788 -1.815 -16.379 27 HB2 CYS 6 HB2 CYS 6 -0.962 -2.881 -15.951 28 HB3 CYS 6 HB3 CYS 6 0.024 -3.635 -17.200 29 H GLY 7 H GLY 7 0.431 0.620 -17.503 30 HA2 GLY 7 HA2 GLY 7 1.028 1.082 -19.888 31 HA3 GLY 7 HA3 GLY 7 0.102 -0.361 -20.272 32 H ASN 8 H ASN 8 -2.225 -0.281 -19.377 33 HA ASN 8 HA ASN 8 -3.316 2.437 -19.628 34 HB2 ASN 8 HB2 ASN 8 -4.024 0.000 -21.224 35 HB3 ASN 8 HB3 ASN 8 -5.260 1.210 -20.890 36 HD21 ASN 8 HD21 ASN 8 -4.474 0.622 -23.453 37 HD22 ASN 8 HD22 ASN 8 -3.635 1.976 -24.123 38 H SER 9 H SER 9 -2.838 0.575 -17.357 39 HA SER 9 HA SER 9 -5.491 0.795 -16.188 40 HB2 SER 9 HB2 SER 9 -5.239 -1.526 -17.240 41 HB3 SER 9 HB3 SER 9 -4.035 -1.841 -15.990 42 HG SER 9 HG SER 9 -5.876 -2.505 -15.071 43 H LYS 10 H LYS 10 -5.416 0.216 -13.809 44 HA LYS 10 HA LYS 10 -2.867 1.172 -12.692 45 HB2 LYS 10 HB2 LYS 10 -5.637 1.279 -11.482 46 HB3 LYS 10 HB3 LYS 10 -4.174 1.940 -10.764 47 HG2 LYS 10 HG2 LYS 10 -3.993 3.599 -12.454 48 HG3 LYS 10 HG3 LYS 10 -5.260 2.838 -13.420 49 HD2 LYS 10 HD2 LYS 10 -6.759 3.241 -11.356 50 HD3 LYS 10 HD3 LYS 10 -5.505 4.380 -10.860 51 HE2 LYS 10 HE2 LYS 10 -6.748 4.487 -13.591 52 HE3 LYS 10 HE3 LYS 10 -7.490 5.286 -12.206 53 HZ1 LYS 10 HZ1 LYS 10 -5.517 6.300 -13.821 54 HZ2 LYS 10 HZ2 LYS 10 -4.715 5.889 -12.390 55 HZ3 LYS 10 HZ3 LYS 10 -6.039 6.941 -12.345 56 H GLY 11 H GLY 11 -1.941 0.147 -10.918 57 HA2 GLY 11 HA2 GLY 11 -3.218 -2.286 -9.911 58 HA3 GLY 11 HA3 GLY 11 -1.661 -2.462 -10.706 59 H ILE 12 H ILE 12 -1.660 -3.367 -8.257 60 HA ILE 12 HA ILE 12 -0.806 -1.235 -6.444 61 HB ILE 12 HB ILE 12 -1.242 -4.175 -5.905 62 HG12 ILE 12 HG12 ILE 12 -3.324 -2.979 -6.401 63 HG13 ILE 12 HG13 ILE 12 -3.250 -3.426 -4.699 64 HG21 ILE 12 HG21 ILE 12 -1.255 -3.210 -3.482 65 HG22 ILE 12 HG22 ILE 12 0.275 -3.571 -4.281 66 HG23 ILE 12 HG23 ILE 12 -0.308 -1.908 -4.203 67 HD11 ILE 12 HD11 ILE 12 -3.677 -0.879 -5.833 68 HD12 ILE 12 HD12 ILE 12 -3.582 -1.321 -4.128 69 HD13 ILE 12 HD13 ILE 12 -2.126 -0.836 -4.996 70 H TYR 13 H TYR 13 1.265 -0.845 -6.006 71 HA TYR 13 HA TYR 13 3.299 -2.498 -7.258 72 HB2 TYR 13 HB2 TYR 13 3.636 -0.172 -7.572 73 HB3 TYR 13 HB3 TYR 13 3.360 0.178 -5.869 74 HD1 TYR 13 HD2 TYR 13 5.531 -2.469 -7.311 75 HD2 TYR 13 HD1 TYR 13 5.354 1.250 -5.253 76 HE1 TYR 13 HE2 TYR 13 7.953 -2.589 -6.899 77 HE2 TYR 13 HE1 TYR 13 7.776 1.141 -4.836 78 HH TYR 13 HH TYR 13 9.736 0.091 -5.632 79 H TRP 14 H TRP 14 4.100 -4.179 -6.203 80 HA TRP 14 HA TRP 14 4.181 -4.120 -3.269 81 HB2 TRP 14 HB2 TRP 14 4.442 -6.460 -5.171 82 HB3 TRP 14 HB3 TRP 14 4.445 -6.566 -3.413 83 HD1 TRP 14 HD1 TRP 14 2.074 -5.671 -6.324 84 HE1 TRP 14 HE1 TRP 14 -0.345 -6.053 -5.534 85 HE3 TRP 14 HE3 TRP 14 2.988 -6.785 -1.418 86 HZ2 TRP 14 HZ2 TRP 14 -1.689 -6.735 -3.147 87 HZ3 TRP 14 HZ3 TRP 14 1.080 -7.289 0.051 88 HH2 TRP 14 HH2 TRP 14 -1.209 -7.264 -0.797 89 H PHE 15 H PHE 15 6.052 -3.824 -2.263 90 HA PHE 15 HA PHE 15 8.488 -3.503 -3.681 91 HB2 PHE 15 HB2 PHE 15 7.695 -3.483 -0.796 92 HB3 PHE 15 HB3 PHE 15 9.404 -3.562 -1.212 93 HD1 PHE 15 HD1 PHE 15 9.888 -1.820 -3.320 94 HD2 PHE 15 HD2 PHE 15 7.014 -1.383 -0.211 95 HE1 PHE 15 HE1 PHE 15 9.925 0.620 -3.633 96 HE2 PHE 15 HE2 PHE 15 7.047 1.058 -0.519 97 HZ PHE 15 HZ PHE 15 8.503 2.062 -2.232 98 H TYR 16 H TYR 16 9.686 -5.087 -4.478 99 HA TYR 16 HA TYR 16 10.653 -7.125 -4.798 100 HB2 TYR 16 HB2 TYR 16 10.741 -7.054 -1.775 101 HB3 TYR 16 HB3 TYR 16 11.671 -8.152 -2.789 102 HD1 TYR 16 HD1 TYR 16 13.415 -7.206 -4.330 103 HD2 TYR 16 HD2 TYR 16 11.487 -4.848 -1.359 104 HE1 TYR 16 HE1 TYR 16 15.215 -5.538 -4.494 105 HE2 TYR 16 HE2 TYR 16 13.281 -3.173 -1.516 106 HH TYR 16 HH TYR 16 16.211 -3.749 -2.972 107 H ARG 17 H ARG 17 8.341 -7.681 -5.475 108 HA ARG 17 HA ARG 17 7.634 -10.177 -4.159 109 HB2 ARG 17 HB2 ARG 17 5.988 -7.739 -4.069 110 HB3 ARG 17 HB3 ARG 17 5.128 -9.181 -4.594 111 HG2 ARG 17 HG2 ARG 17 5.887 -10.339 -2.552 112 HG3 ARG 17 HG3 ARG 17 6.650 -8.839 -2.020 113 HD2 ARG 17 HD2 ARG 17 4.697 -7.933 -1.386 114 HD3 ARG 17 HD3 ARG 17 3.849 -8.539 -2.808 115 HE ARG 17 HE ARG 17 3.170 -10.361 -1.592 116 HH11 ARG 17 HH11 ARG 17 5.698 -8.698 0.128 117 HH12 ARG 17 HH12 ARG 17 5.504 -9.628 1.577 118 HH21 ARG 17 HH21 ARG 17 2.904 -11.592 0.310 119 HH22 ARG 17 HH22 ARG 17 3.914 -11.275 1.679 120 HA PRO 18 HA PRO 18 7.531 -10.369 -8.776 121 HB2 PRO 18 HB2 PRO 18 8.804 -12.762 -8.924 122 HB3 PRO 18 HB3 PRO 18 9.664 -11.221 -8.826 123 HG2 PRO 18 HG2 PRO 18 9.065 -13.197 -6.658 124 HG3 PRO 18 HG3 PRO 18 10.565 -12.306 -6.977 125 HD2 PRO 18 HD2 PRO 18 8.803 -11.553 -5.065 126 HD3 PRO 18 HD3 PRO 18 9.787 -10.385 -5.969 127 H SER 19 H SER 19 6.280 -12.158 -6.178 128 HA SER 19 HA SER 19 4.495 -13.623 -8.008 129 HB2 SER 19 HB2 SER 19 5.979 -14.581 -5.601 130 HB3 SER 19 HB3 SER 19 4.373 -15.242 -5.904 131 HG SER 19 HG SER 19 6.643 -15.945 -7.040 132 H CYS 20 H CYS 20 2.606 -12.593 -7.912 133 HA CYS 20 HA CYS 20 1.696 -10.995 -5.809 134 HB2 CYS 20 HB2 CYS 20 0.074 -12.440 -7.916 135 HB3 CYS 20 HB3 CYS 20 -0.508 -11.116 -6.912 136 HA PRO 21 HA PRO 21 0.117 -13.751 -2.780 137 HB2 PRO 21 HB2 PRO 21 -2.005 -12.341 -1.842 138 HB3 PRO 21 HB3 PRO 21 -0.330 -11.896 -1.499 139 HG2 PRO 21 HG2 PRO 21 -2.206 -10.774 -3.543 140 HG3 PRO 21 HG3 PRO 21 -1.083 -9.922 -2.469 141 HD2 PRO 21 HD2 PRO 21 -0.520 -10.413 -5.071 142 HD3 PRO 21 HD3 PRO 21 0.735 -10.358 -3.817 143 H THR 22 H THR 22 -1.583 -15.200 -2.291 144 HA THR 22 HA THR 22 -3.316 -15.758 -4.569 145 HB THR 22 HB THR 22 -3.850 -17.862 -3.208 146 HG1 THR 22 HG1 THR 22 -3.120 -17.594 -1.208 147 HG21 THR 22 HG21 THR 22 -2.469 -18.320 -4.981 148 HG22 THR 22 HG22 THR 22 -1.386 -18.715 -3.647 149 HG23 THR 22 HG23 THR 22 -1.244 -17.161 -4.467 150 H ASP 23 H ASP 23 -3.485 -14.532 -1.346 151 HA ASP 23 HA ASP 23 -6.188 -15.103 -0.774 152 HB2 ASP 23 HB2 ASP 23 -4.559 -12.749 0.203 153 HB3 ASP 23 HB3 ASP 23 -6.003 -13.415 0.960 154 H ARG 24 H ARG 24 -4.663 -12.711 -2.762 155 HA ARG 24 HA ARG 24 -7.080 -11.101 -2.956 156 HB2 ARG 24 HB2 ARG 24 -4.411 -10.805 -4.348 157 HB3 ARG 24 HB3 ARG 24 -5.734 -9.648 -4.415 158 HG2 ARG 24 HG2 ARG 24 -4.678 -10.418 -1.748 159 HG3 ARG 24 HG3 ARG 24 -3.710 -9.345 -2.760 160 HD2 ARG 24 HD2 ARG 24 -5.014 -7.887 -1.493 161 HD3 ARG 24 HD3 ARG 24 -5.868 -7.984 -3.032 162 HE ARG 24 HE ARG 24 -6.837 -9.903 -1.165 163 HH11 ARG 24 HH11 ARG 24 -6.980 -6.536 -2.037 164 HH12 ARG 24 HH12 ARG 24 -8.553 -6.292 -1.354 165 HH21 ARG 24 HH21 ARG 24 -8.909 -9.594 -0.262 166 HH22 ARG 24 HH22 ARG 24 -9.649 -8.031 -0.344 167 H GLY 25 H GLY 25 -7.275 -10.307 -5.480 168 HA2 GLY 25 HA2 GLY 25 -7.589 -12.794 -7.044 169 HA3 GLY 25 HA3 GLY 25 -8.834 -11.555 -6.998 170 H TYR 26 H TYR 26 -5.333 -11.781 -7.649 171 HA TYR 26 HA TYR 26 -5.600 -9.701 -9.675 172 HB2 TYR 26 HB2 TYR 26 -3.134 -11.110 -8.633 173 HB3 TYR 26 HB3 TYR 26 -3.142 -9.741 -9.740 174 HD1 TYR 26 HD2 TYR 26 -4.699 -7.712 -8.764 175 HD2 TYR 26 HD1 TYR 26 -2.598 -10.604 -6.457 176 HE1 TYR 26 HE2 TYR 26 -4.676 -6.163 -6.853 177 HE2 TYR 26 HE1 TYR 26 -2.570 -9.064 -4.540 178 HH TYR 26 HH TYR 26 -3.165 -5.842 -4.762 179 H THR 27 H THR 27 -4.995 -9.972 -11.835 180 HA THR 27 HA THR 27 -5.103 -12.759 -12.767 181 HB THR 27 HB THR 27 -5.808 -11.841 -14.943 182 HG1 THR 27 HG1 THR 27 -5.876 -9.327 -13.598 183 HG21 THR 27 HG21 THR 27 -8.034 -11.341 -14.337 184 HG22 THR 27 HG22 THR 27 -7.542 -10.649 -12.791 185 HG23 THR 27 HG23 THR 27 -7.429 -12.389 -13.055 186 H GLY 28 H GLY 28 -3.567 -9.650 -13.626 187 HA2 GLY 28 HA2 GLY 28 -1.215 -11.202 -14.516 188 HA3 GLY 28 HA3 GLY 28 -1.813 -9.820 -15.422 189 H SER 29 H SER 29 0.818 -10.014 -14.501 190 HA SER 29 HA SER 29 0.900 -7.671 -12.760 191 HB2 SER 29 HB2 SER 29 2.227 -8.597 -11.104 192 HB3 SER 29 HB3 SER 29 1.186 -9.966 -11.495 193 HG SER 29 HG SER 29 3.868 -9.510 -12.240 194 H CYS 30 H CYS 30 2.652 -6.340 -13.097 195 HA CYS 30 HA CYS 30 4.454 -7.129 -15.293 196 HB2 CYS 30 HB2 CYS 30 3.643 -4.299 -14.625 197 HB3 CYS 30 HB3 CYS 30 4.476 -4.870 -16.068 198 H ARG 31 H ARG 31 6.557 -7.165 -14.850 199 HA ARG 31 HA ARG 31 7.620 -6.849 -12.318 200 HB2 ARG 31 HB2 ARG 31 8.867 -6.801 -15.052 201 HB3 ARG 31 HB3 ARG 31 9.847 -6.570 -13.610 202 HG2 ARG 31 HG2 ARG 31 8.691 -8.773 -12.822 203 HG3 ARG 31 HG3 ARG 31 8.397 -8.996 -14.548 204 HD2 ARG 31 HD2 ARG 31 10.744 -8.884 -15.023 205 HD3 ARG 31 HD3 ARG 31 11.107 -8.431 -13.359 206 HE ARG 31 HE ARG 31 10.999 -10.640 -12.773 207 HH11 ARG 31 HH11 ARG 31 9.517 -10.216 -15.894 208 HH12 ARG 31 HH12 ARG 31 9.337 -11.914 -16.185 209 HH21 ARG 31 HH21 ARG 31 10.767 -12.879 -13.143 210 HH22 ARG 31 HH22 ARG 31 10.047 -13.428 -14.619 211 H TYR 32 H TYR 32 8.447 -5.200 -11.154 212 HA TYR 32 HA TYR 32 8.238 -2.513 -12.329 213 HB2 TYR 32 HB2 TYR 32 6.994 -3.320 -10.141 214 HB3 TYR 32 HB3 TYR 32 8.543 -2.955 -9.388 215 HD1 TYR 32 HD2 TYR 32 5.941 -1.437 -11.584 216 HD2 TYR 32 HD1 TYR 32 9.011 -0.780 -8.712 217 HE1 TYR 32 HE2 TYR 32 5.321 0.941 -11.474 218 HE2 TYR 32 HE1 TYR 32 8.398 1.599 -8.593 219 HH TYR 32 HH TYR 32 7.239 3.284 -10.183 220 H PHE 33 H PHE 33 9.799 -0.901 -11.243 221 HA PHE 33 HA PHE 33 12.400 -1.504 -12.006 222 HB2 PHE 33 HB2 PHE 33 11.265 0.786 -11.504 223 HB3 PHE 33 HB3 PHE 33 11.845 0.524 -9.862 224 HD1 PHE 33 HD2 PHE 33 13.038 0.574 -13.388 225 HD2 PHE 33 HD1 PHE 33 13.968 1.218 -9.284 226 HE1 PHE 33 HE2 PHE 33 15.239 1.468 -14.030 227 HE2 PHE 33 HE1 PHE 33 16.170 2.113 -9.920 228 HZ PHE 33 HZ PHE 33 16.808 2.238 -12.295 229 H LEU 34 H LEU 34 11.089 -1.306 -8.697 230 HA LEU 34 HA LEU 34 13.441 -2.781 -7.740 231 HB2 LEU 34 HB2 LEU 34 11.497 -0.914 -6.462 232 HB3 LEU 34 HB3 LEU 34 12.332 -2.102 -5.463 233 HG LEU 34 HG LEU 34 13.983 -0.378 -7.234 234 HD11 LEU 34 HD11 LEU 34 12.259 1.105 -6.146 235 HD12 LEU 34 HD12 LEU 34 13.941 1.484 -5.778 236 HD13 LEU 34 HD13 LEU 34 12.951 0.629 -4.595 237 HD21 LEU 34 HD21 LEU 34 14.641 -2.281 -5.517 238 HD22 LEU 34 HD22 LEU 34 14.537 -0.945 -4.370 239 HD23 LEU 34 HD23 LEU 34 15.642 -0.846 -5.742 240 H GLY 35 H GLY 35 9.894 -2.744 -7.533 241 HA2 GLY 35 HA2 GLY 35 10.019 -5.565 -6.661 242 HA3 GLY 35 HA3 GLY 35 8.740 -4.454 -6.194 243 H THR 36 H THR 36 6.916 -5.111 -7.115 244 HA THR 36 HA THR 36 6.838 -5.397 -10.014 245 HB THR 36 HB THR 36 5.502 -7.522 -8.360 246 HG1 THR 36 HG1 THR 36 7.505 -8.109 -7.887 247 HG21 THR 36 HG21 THR 36 6.196 -8.633 -10.733 248 HG22 THR 36 HG22 THR 36 5.958 -6.952 -11.213 249 HG23 THR 36 HG23 THR 36 4.652 -7.839 -10.428 250 H CYS 37 H CYS 37 4.613 -5.438 -10.855 251 HA CYS 37 HA CYS 37 2.760 -4.033 -9.044 252 HB2 CYS 37 HB2 CYS 37 3.666 -2.643 -10.909 253 HB3 CYS 37 HB3 CYS 37 2.931 -3.763 -12.051 254 H CYS 38 H CYS 38 1.146 -5.313 -8.452 255 HA CYS 38 HA CYS 38 0.256 -7.449 -10.240 256 HB2 CYS 38 HB2 CYS 38 -0.348 -6.886 -7.331 257 HB3 CYS 38 HB3 CYS 38 -1.025 -8.233 -8.240 258 H THR 39 H THR 39 -1.578 -7.341 -11.358 259 HA THR 39 HA THR 39 -3.551 -5.281 -10.614 260 HB THR 39 HB THR 39 -4.081 -5.436 -13.199 261 HG1 THR 39 HG1 THR 39 -1.371 -6.265 -12.973 262 HG21 THR 39 HG21 THR 39 -2.820 -3.447 -13.542 263 HG22 THR 39 HG22 THR 39 -1.663 -3.886 -12.285 264 HG23 THR 39 HG23 THR 39 -3.314 -3.445 -11.850 265 HA PRO 40 HA PRO 40 -5.474 -4.695 -12.021 266 HB2 PRO 40 HB2 PRO 40 -7.916 -4.495 -10.852 267 HB3 PRO 40 HB3 PRO 40 -7.685 -5.095 -12.499 268 HG2 PRO 40 HG2 PRO 40 -8.091 -6.632 -9.963 269 HG3 PRO 40 HG3 PRO 40 -8.807 -6.903 -11.563 270 HD2 PRO 40 HD2 PRO 40 -6.712 -8.350 -10.640 271 HD3 PRO 40 HD3 PRO 40 -6.927 -7.972 -12.361 272 H ALA 41 H ALA 41 -6.165 -2.859 -10.505 273 HA ALA 41 HA ALA 41 -4.557 -3.011 -8.145 274 HB1 ALA 41 HB1 ALA 41 -6.252 -0.685 -8.213 275 HB2 ALA 41 HB2 ALA 41 -4.498 -0.801 -8.361 276 HB3 ALA 41 HB3 ALA 41 -5.517 -0.971 -9.791 277 H ASP 42 H ASP 42 -5.324 -4.266 -6.537 278 HA ASP 42 HA ASP 42 -8.096 -3.816 -5.648 279 HB2 ASP 42 HB2 ASP 42 -6.319 -6.224 -5.199 280 HB3 ASP 42 HB3 ASP 42 -7.966 -6.043 -4.600 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.241 1.442 0.386 2 HA2 GLY 1 HA2 GLY 1 3.116 -0.226 -1.625 3 HA3 GLY 1 HA3 GLY 1 1.376 -0.464 -1.556 4 H THR 2 H THR 2 2.892 0.626 -3.743 5 HA THR 2 HA THR 2 1.856 3.386 -3.783 6 HB THR 2 HB THR 2 3.942 2.469 -5.721 7 HG1 THR 2 HG1 THR 2 5.446 3.390 -4.028 8 HG21 THR 2 HG21 THR 2 4.641 4.928 -5.195 9 HG22 THR 2 HG22 THR 2 3.010 5.053 -4.535 10 HG23 THR 2 HG23 THR 2 3.244 4.618 -6.228 11 H ALA 3 H ALA 3 1.232 4.164 -5.982 12 HA ALA 3 HA ALA 3 -0.442 2.152 -7.257 13 HB1 ALA 3 HB1 ALA 3 -0.298 5.133 -7.699 14 HB2 ALA 3 HB2 ALA 3 -1.493 4.038 -8.399 15 HB3 ALA 3 HB3 ALA 3 -1.445 4.292 -6.654 16 H CYS 4 H CYS 4 0.099 1.147 -9.074 17 HA CYS 4 HA CYS 4 2.108 2.399 -10.830 18 HB2 CYS 4 HB2 CYS 4 2.763 0.012 -11.419 19 HB3 CYS 4 HB3 CYS 4 3.224 0.570 -9.814 20 H SER 5 H SER 5 2.055 1.371 -13.083 21 HA SER 5 HA SER 5 -0.694 0.720 -13.886 22 HB2 SER 5 HB2 SER 5 0.659 2.351 -15.875 23 HB3 SER 5 HB3 SER 5 -0.936 2.561 -15.153 24 HG SER 5 HG SER 5 -0.112 3.853 -13.656 25 H CYS 6 H CYS 6 -0.891 -0.672 -15.607 26 HA CYS 6 HA CYS 6 1.619 -1.900 -16.529 27 HB2 CYS 6 HB2 CYS 6 -1.117 -2.986 -15.994 28 HB3 CYS 6 HB3 CYS 6 -0.098 -3.786 -17.186 29 H GLY 7 H GLY 7 0.241 0.496 -17.649 30 HA2 GLY 7 HA2 GLY 7 0.695 0.869 -20.082 31 HA3 GLY 7 HA3 GLY 7 -0.291 -0.560 -20.358 32 H ASN 8 H ASN 8 -2.563 -0.417 -19.450 33 HA ASN 8 HA ASN 8 -3.598 2.329 -19.636 34 HB2 ASN 8 HB2 ASN 8 -4.770 -0.109 -20.995 35 HB3 ASN 8 HB3 ASN 8 -5.502 1.493 -20.970 36 HD21 ASN 8 HD21 ASN 8 -2.938 -0.472 -22.240 37 HD22 ASN 8 HD22 ASN 8 -2.448 0.618 -23.488 38 H SER 9 H SER 9 -3.071 0.426 -17.394 39 HA SER 9 HA SER 9 -5.655 0.735 -16.100 40 HB2 SER 9 HB2 SER 9 -5.649 -1.554 -17.154 41 HB3 SER 9 HB3 SER 9 -4.291 -1.964 -16.107 42 HG SER 9 HG SER 9 -6.853 -1.108 -15.233 43 H LYS 10 H LYS 10 -5.536 0.397 -13.763 44 HA LYS 10 HA LYS 10 -2.888 1.140 -12.751 45 HB2 LYS 10 HB2 LYS 10 -5.560 1.312 -11.349 46 HB3 LYS 10 HB3 LYS 10 -4.039 2.005 -10.801 47 HG2 LYS 10 HG2 LYS 10 -4.026 3.543 -12.664 48 HG3 LYS 10 HG3 LYS 10 -5.489 2.802 -13.318 49 HD2 LYS 10 HD2 LYS 10 -6.197 4.758 -12.199 50 HD3 LYS 10 HD3 LYS 10 -6.611 3.416 -11.130 51 HE2 LYS 10 HE2 LYS 10 -4.616 3.840 -9.803 52 HE3 LYS 10 HE3 LYS 10 -4.148 5.143 -10.893 53 HZ1 LYS 10 HZ1 LYS 10 -6.096 5.134 -8.764 54 HZ2 LYS 10 HZ2 LYS 10 -6.637 5.865 -10.189 55 HZ3 LYS 10 HZ3 LYS 10 -5.230 6.424 -9.433 56 H GLY 11 H GLY 11 -2.011 0.152 -10.880 57 HA2 GLY 11 HA2 GLY 11 -3.288 -2.303 -9.934 58 HA3 GLY 11 HA3 GLY 11 -1.715 -2.463 -10.701 59 H ILE 12 H ILE 12 -1.454 -3.420 -8.412 60 HA ILE 12 HA ILE 12 -0.734 -1.293 -6.512 61 HB ILE 12 HB ILE 12 -1.195 -4.234 -5.996 62 HG12 ILE 12 HG12 ILE 12 -3.260 -2.995 -6.492 63 HG13 ILE 12 HG13 ILE 12 -3.202 -3.489 -4.804 64 HG21 ILE 12 HG21 ILE 12 0.353 -3.618 -4.384 65 HG22 ILE 12 HG22 ILE 12 -0.288 -1.981 -4.249 66 HG23 ILE 12 HG23 ILE 12 -1.185 -3.338 -3.569 67 HD11 ILE 12 HD11 ILE 12 -2.048 -0.900 -5.035 68 HD12 ILE 12 HD12 ILE 12 -3.608 -0.912 -5.859 69 HD13 ILE 12 HD13 ILE 12 -3.501 -1.398 -4.168 70 H TYR 13 H TYR 13 1.341 -0.884 -6.138 71 HA TYR 13 HA TYR 13 3.367 -2.567 -7.354 72 HB2 TYR 13 HB2 TYR 13 3.711 -0.245 -7.693 73 HB3 TYR 13 HB3 TYR 13 3.441 0.123 -5.993 74 HD1 TYR 13 HD2 TYR 13 5.598 -2.544 -7.422 75 HD2 TYR 13 HD1 TYR 13 5.440 1.189 -5.387 76 HE1 TYR 13 HE2 TYR 13 8.020 -2.670 -7.016 77 HE2 TYR 13 HE1 TYR 13 7.864 1.074 -4.977 78 HH TYR 13 HH TYR 13 9.825 0.004 -5.825 79 H TRP 14 H TRP 14 4.173 -4.234 -6.282 80 HA TRP 14 HA TRP 14 4.256 -4.144 -3.348 81 HB2 TRP 14 HB2 TRP 14 4.504 -6.510 -5.219 82 HB3 TRP 14 HB3 TRP 14 4.499 -6.590 -3.459 83 HD1 TRP 14 HD1 TRP 14 2.155 -5.859 -6.418 84 HE1 TRP 14 HE1 TRP 14 -0.274 -6.161 -5.622 85 HE3 TRP 14 HE3 TRP 14 3.019 -6.584 -1.432 86 HZ2 TRP 14 HZ2 TRP 14 -1.643 -6.643 -3.201 87 HZ3 TRP 14 HZ3 TRP 14 1.094 -6.959 0.056 88 HH2 TRP 14 HH2 TRP 14 -1.187 -6.987 -0.812 89 H PHE 15 H PHE 15 6.130 -3.775 -2.382 90 HA PHE 15 HA PHE 15 8.563 -3.529 -3.811 91 HB2 PHE 15 HB2 PHE 15 7.811 -3.443 -0.909 92 HB3 PHE 15 HB3 PHE 15 9.508 -3.467 -1.375 93 HD1 PHE 15 HD2 PHE 15 10.250 -1.679 -3.093 94 HD2 PHE 15 HD1 PHE 15 6.675 -1.438 -0.795 95 HE1 PHE 15 HE2 PHE 15 10.181 0.753 -3.460 96 HE2 PHE 15 HE1 PHE 15 6.601 0.995 -1.159 97 HZ PHE 15 HZ PHE 15 8.356 2.093 -2.492 98 H TYR 16 H TYR 16 9.752 -5.147 -4.554 99 HA TYR 16 HA TYR 16 10.697 -7.204 -4.809 100 HB2 TYR 16 HB2 TYR 16 10.836 -6.962 -1.798 101 HB3 TYR 16 HB3 TYR 16 11.703 -8.168 -2.741 102 HD1 TYR 16 HD1 TYR 16 11.357 -4.516 -2.190 103 HD2 TYR 16 HD2 TYR 16 13.770 -7.655 -3.747 104 HE1 TYR 16 HE1 TYR 16 13.211 -2.929 -2.500 105 HE2 TYR 16 HE2 TYR 16 15.631 -6.078 -4.060 106 HH TYR 16 HH TYR 16 15.957 -3.650 -4.344 107 H ARG 17 H ARG 17 8.366 -7.767 -5.426 108 HA ARG 17 HA ARG 17 7.675 -10.214 -4.018 109 HB2 ARG 17 HB2 ARG 17 6.040 -7.766 -3.959 110 HB3 ARG 17 HB3 ARG 17 5.163 -9.224 -4.407 111 HG2 ARG 17 HG2 ARG 17 6.201 -10.276 -2.325 112 HG3 ARG 17 HG3 ARG 17 6.620 -8.625 -1.858 113 HD2 ARG 17 HD2 ARG 17 4.416 -8.002 -1.587 114 HD3 ARG 17 HD3 ARG 17 3.822 -9.249 -2.685 115 HE ARG 17 HE ARG 17 5.007 -10.262 -0.261 116 HH11 ARG 17 HH11 ARG 17 2.092 -9.142 -1.799 117 HH12 ARG 17 HH12 ARG 17 1.040 -9.983 -0.710 118 HH21 ARG 17 HH21 ARG 17 3.631 -11.373 1.180 119 HH22 ARG 17 HH22 ARG 17 1.916 -11.251 0.984 120 HA PRO 18 HA PRO 18 7.440 -10.507 -8.631 121 HB2 PRO 18 HB2 PRO 18 8.748 -12.883 -8.769 122 HB3 PRO 18 HB3 PRO 18 9.584 -11.325 -8.735 123 HG2 PRO 18 HG2 PRO 18 9.094 -13.261 -6.505 124 HG3 PRO 18 HG3 PRO 18 10.567 -12.354 -6.895 125 HD2 PRO 18 HD2 PRO 18 8.858 -11.586 -4.941 126 HD3 PRO 18 HD3 PRO 18 9.790 -10.423 -5.904 127 H SER 19 H SER 19 6.299 -12.246 -5.953 128 HA SER 19 HA SER 19 4.534 -13.846 -7.689 129 HB2 SER 19 HB2 SER 19 5.172 -14.677 -4.876 130 HB3 SER 19 HB3 SER 19 4.635 -15.666 -6.234 131 HG SER 19 HG SER 19 7.192 -14.738 -5.597 132 H CYS 20 H CYS 20 2.702 -12.674 -7.729 133 HA CYS 20 HA CYS 20 1.722 -11.027 -5.702 134 HB2 CYS 20 HB2 CYS 20 0.158 -12.484 -7.844 135 HB3 CYS 20 HB3 CYS 20 -0.422 -11.111 -6.908 136 HA PRO 21 HA PRO 21 -0.054 -13.689 -2.698 137 HB2 PRO 21 HB2 PRO 21 -2.184 -12.215 -1.885 138 HB3 PRO 21 HB3 PRO 21 -0.515 -11.800 -1.473 139 HG2 PRO 21 HG2 PRO 21 -2.271 -10.677 -3.622 140 HG3 PRO 21 HG3 PRO 21 -1.177 -9.829 -2.513 141 HD2 PRO 21 HD2 PRO 21 -0.508 -10.384 -5.077 142 HD3 PRO 21 HD3 PRO 21 0.689 -10.331 -3.768 143 H THR 22 H THR 22 -1.839 -15.061 -2.237 144 HA THR 22 HA THR 22 -3.473 -15.630 -4.588 145 HB THR 22 HB THR 22 -3.499 -17.320 -2.113 146 HG1 THR 22 HG1 THR 22 -1.640 -18.397 -2.952 147 HG21 THR 22 HG21 THR 22 -3.301 -18.752 -4.566 148 HG22 THR 22 HG22 THR 22 -4.535 -17.505 -4.748 149 HG23 THR 22 HG23 THR 22 -4.656 -18.682 -3.440 150 H ASP 23 H ASP 23 -3.746 -14.380 -1.376 151 HA ASP 23 HA ASP 23 -6.499 -14.865 -0.947 152 HB2 ASP 23 HB2 ASP 23 -4.469 -13.009 0.227 153 HB3 ASP 23 HB3 ASP 23 -6.173 -12.746 0.589 154 H ARG 24 H ARG 24 -4.788 -12.546 -2.850 155 HA ARG 24 HA ARG 24 -7.095 -10.794 -3.110 156 HB2 ARG 24 HB2 ARG 24 -4.389 -10.662 -4.454 157 HB3 ARG 24 HB3 ARG 24 -5.631 -9.419 -4.514 158 HG2 ARG 24 HG2 ARG 24 -4.629 -10.306 -1.857 159 HG3 ARG 24 HG3 ARG 24 -3.615 -9.251 -2.846 160 HD2 ARG 24 HD2 ARG 24 -4.886 -7.819 -1.468 161 HD3 ARG 24 HD3 ARG 24 -5.633 -7.740 -3.063 162 HE ARG 24 HE ARG 24 -6.853 -9.713 -1.402 163 HH11 ARG 24 HH11 ARG 24 -6.730 -6.299 -2.076 164 HH12 ARG 24 HH12 ARG 24 -8.334 -5.995 -1.495 165 HH21 ARG 24 HH21 ARG 24 -8.965 -9.324 -0.634 166 HH22 ARG 24 HH22 ARG 24 -9.604 -7.715 -0.675 167 H GLY 25 H GLY 25 -7.359 -10.012 -5.558 168 HA2 GLY 25 HA2 GLY 25 -7.767 -12.475 -7.140 169 HA3 GLY 25 HA3 GLY 25 -8.880 -11.114 -7.152 170 H TYR 26 H TYR 26 -5.369 -11.580 -7.602 171 HA TYR 26 HA TYR 26 -5.408 -9.595 -9.734 172 HB2 TYR 26 HB2 TYR 26 -3.082 -11.089 -8.503 173 HB3 TYR 26 HB3 TYR 26 -2.960 -9.758 -9.649 174 HD1 TYR 26 HD2 TYR 26 -4.775 -7.762 -8.703 175 HD2 TYR 26 HD1 TYR 26 -2.323 -10.398 -6.436 176 HE1 TYR 26 HE2 TYR 26 -4.775 -6.153 -6.843 177 HE2 TYR 26 HE1 TYR 26 -2.318 -8.798 -4.569 178 HH TYR 26 HH TYR 26 -3.954 -5.660 -4.835 179 H THR 27 H THR 27 -5.060 -10.014 -11.855 180 HA THR 27 HA THR 27 -4.919 -12.852 -12.627 181 HB THR 27 HB THR 27 -5.788 -11.949 -14.873 182 HG1 THR 27 HG1 THR 27 -6.811 -9.824 -13.319 183 HG21 THR 27 HG21 THR 27 -8.102 -11.469 -13.363 184 HG22 THR 27 HG22 THR 27 -7.143 -12.610 -12.420 185 HG23 THR 27 HG23 THR 27 -7.590 -12.996 -14.081 186 H GLY 28 H GLY 28 -3.735 -9.616 -13.498 187 HA2 GLY 28 HA2 GLY 28 -1.508 -10.927 -14.932 188 HA3 GLY 28 HA3 GLY 28 -2.160 -9.353 -15.365 189 H SER 29 H SER 29 0.566 -9.841 -14.878 190 HA SER 29 HA SER 29 0.993 -7.971 -12.685 191 HB2 SER 29 HB2 SER 29 2.730 -9.328 -11.644 192 HB3 SER 29 HB3 SER 29 1.213 -10.227 -11.674 193 HG SER 29 HG SER 29 3.596 -10.790 -12.878 194 H CYS 30 H CYS 30 2.733 -6.642 -12.977 195 HA CYS 30 HA CYS 30 4.411 -7.141 -15.344 196 HB2 CYS 30 HB2 CYS 30 3.482 -4.406 -14.463 197 HB3 CYS 30 HB3 CYS 30 4.313 -4.830 -15.956 198 H ARG 31 H ARG 31 6.491 -7.270 -14.855 199 HA ARG 31 HA ARG 31 7.578 -6.937 -12.336 200 HB2 ARG 31 HB2 ARG 31 8.629 -7.269 -15.062 201 HB3 ARG 31 HB3 ARG 31 9.738 -6.480 -13.948 202 HG2 ARG 31 HG2 ARG 31 8.389 -8.953 -13.024 203 HG3 ARG 31 HG3 ARG 31 9.658 -9.107 -14.240 204 HD2 ARG 31 HD2 ARG 31 9.921 -7.743 -11.562 205 HD3 ARG 31 HD3 ARG 31 10.555 -9.335 -11.979 206 HE ARG 31 HE ARG 31 11.750 -6.823 -12.559 207 HH11 ARG 31 HH11 ARG 31 11.316 -10.043 -13.806 208 HH12 ARG 31 HH12 ARG 31 12.775 -10.020 -14.739 209 HH21 ARG 31 HH21 ARG 31 13.673 -6.778 -13.783 210 HH22 ARG 31 HH22 ARG 31 14.116 -8.162 -14.725 211 H TYR 32 H TYR 32 8.449 -5.285 -11.203 212 HA TYR 32 HA TYR 32 8.254 -2.610 -12.406 213 HB2 TYR 32 HB2 TYR 32 7.031 -3.384 -10.189 214 HB3 TYR 32 HB3 TYR 32 8.591 -3.009 -9.465 215 HD1 TYR 32 HD1 TYR 32 5.953 -1.529 -11.644 216 HD2 TYR 32 HD2 TYR 32 9.078 -0.819 -8.846 217 HE1 TYR 32 HE1 TYR 32 5.336 0.851 -11.567 218 HE2 TYR 32 HE2 TYR 32 8.468 1.562 -8.760 219 HH TYR 32 HH TYR 32 6.514 3.040 -11.005 220 H PHE 33 H PHE 33 9.845 -1.003 -11.359 221 HA PHE 33 HA PHE 33 12.431 -1.648 -12.139 222 HB2 PHE 33 HB2 PHE 33 11.280 0.659 -11.594 223 HB3 PHE 33 HB3 PHE 33 12.003 0.407 -10.008 224 HD1 PHE 33 HD2 PHE 33 12.658 1.040 -13.549 225 HD2 PHE 33 HD1 PHE 33 14.391 0.489 -9.700 226 HE1 PHE 33 HE2 PHE 33 14.796 1.924 -14.388 227 HE2 PHE 33 HE1 PHE 33 16.531 1.374 -10.533 228 HZ PHE 33 HZ PHE 33 16.735 2.092 -12.880 229 H LEU 34 H LEU 34 11.120 -1.444 -8.835 230 HA LEU 34 HA LEU 34 13.480 -2.902 -7.871 231 HB2 LEU 34 HB2 LEU 34 11.580 -0.979 -6.638 232 HB3 LEU 34 HB3 LEU 34 12.305 -2.205 -5.600 233 HG LEU 34 HG LEU 34 14.094 -0.544 -7.310 234 HD11 LEU 34 HD11 LEU 34 12.284 0.835 -5.965 235 HD12 LEU 34 HD12 LEU 34 13.969 1.348 -6.049 236 HD13 LEU 34 HD13 LEU 34 13.377 0.495 -4.623 237 HD21 LEU 34 HD21 LEU 34 14.319 -2.400 -5.140 238 HD22 LEU 34 HD22 LEU 34 15.007 -0.846 -4.668 239 HD23 LEU 34 HD23 LEU 34 15.591 -1.666 -6.118 240 H GLY 35 H GLY 35 9.934 -2.844 -7.598 241 HA2 GLY 35 HA2 GLY 35 10.057 -5.664 -6.723 242 HA3 GLY 35 HA3 GLY 35 8.778 -4.547 -6.270 243 H THR 36 H THR 36 6.963 -5.272 -7.168 244 HA THR 36 HA THR 36 6.879 -5.563 -10.070 245 HB THR 36 HB THR 36 5.552 -7.685 -8.409 246 HG1 THR 36 HG1 THR 36 7.425 -8.591 -8.064 247 HG21 THR 36 HG21 THR 36 4.774 -8.195 -10.442 248 HG22 THR 36 HG22 THR 36 6.413 -8.710 -10.840 249 HG23 THR 36 HG23 THR 36 5.885 -7.072 -11.226 250 H CYS 37 H CYS 37 4.690 -5.543 -10.928 251 HA CYS 37 HA CYS 37 2.819 -4.162 -9.118 252 HB2 CYS 37 HB2 CYS 37 3.710 -2.791 -11.002 253 HB3 CYS 37 HB3 CYS 37 2.983 -3.932 -12.130 254 H CYS 38 H CYS 38 1.112 -5.325 -8.564 255 HA CYS 38 HA CYS 38 0.247 -7.517 -10.312 256 HB2 CYS 38 HB2 CYS 38 -0.344 -6.960 -7.397 257 HB3 CYS 38 HB3 CYS 38 -0.990 -8.323 -8.307 258 H THR 39 H THR 39 -1.576 -7.367 -11.437 259 HA THR 39 HA THR 39 -3.552 -5.329 -10.642 260 HB THR 39 HB THR 39 -4.098 -5.448 -13.227 261 HG1 THR 39 HG1 THR 39 -2.242 -7.052 -13.370 262 HG21 THR 39 HG21 THR 39 -1.686 -3.902 -12.285 263 HG22 THR 39 HG22 THR 39 -3.344 -3.469 -11.867 264 HG23 THR 39 HG23 THR 39 -2.828 -3.455 -13.553 265 HA PRO 40 HA PRO 40 -5.483 -4.723 -12.031 266 HB2 PRO 40 HB2 PRO 40 -7.919 -4.543 -10.844 267 HB3 PRO 40 HB3 PRO 40 -7.697 -5.119 -12.500 268 HG2 PRO 40 HG2 PRO 40 -8.087 -6.692 -9.984 269 HG3 PRO 40 HG3 PRO 40 -8.812 -6.941 -11.583 270 HD2 PRO 40 HD2 PRO 40 -6.710 -8.398 -10.693 271 HD3 PRO 40 HD3 PRO 40 -6.937 -7.997 -12.407 272 H ALA 41 H ALA 41 -6.170 -2.910 -10.483 273 HA ALA 41 HA ALA 41 -4.545 -3.092 -8.137 274 HB1 ALA 41 HB1 ALA 41 -4.874 -0.800 -7.888 275 HB2 ALA 41 HB2 ALA 41 -4.952 -1.043 -9.633 276 HB3 ALA 41 HB3 ALA 41 -6.436 -0.838 -8.705 277 H ASP 42 H ASP 42 -5.262 -4.292 -6.482 278 HA ASP 42 HA ASP 42 -7.963 -3.720 -5.458 279 HB2 ASP 42 HB2 ASP 42 -6.593 -6.379 -5.795 280 HB3 ASP 42 HB3 ASP 42 -7.884 -6.158 -4.618 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.447 0.381 0.122 2 HA2 GLY 1 HA2 GLY 1 3.075 -0.132 -1.071 3 HA3 GLY 1 HA3 GLY 1 1.674 -0.899 -1.805 4 H THR 2 H THR 2 2.968 0.579 -3.498 5 HA THR 2 HA THR 2 1.721 3.242 -3.511 6 HB THR 2 HB THR 2 3.825 2.486 -5.490 7 HG1 THR 2 HG1 THR 2 4.455 1.874 -3.227 8 HG21 THR 2 HG21 THR 2 3.069 4.647 -5.852 9 HG22 THR 2 HG22 THR 2 4.472 4.922 -4.819 10 HG23 THR 2 HG23 THR 2 2.847 4.967 -4.132 11 H ALA 3 H ALA 3 1.118 4.066 -5.717 12 HA ALA 3 HA ALA 3 -0.495 2.037 -7.052 13 HB1 ALA 3 HB1 ALA 3 -1.583 3.938 -8.162 14 HB2 ALA 3 HB2 ALA 3 -1.596 4.102 -6.405 15 HB3 ALA 3 HB3 ALA 3 -0.454 5.036 -7.370 16 H CYS 4 H CYS 4 0.118 1.091 -8.876 17 HA CYS 4 HA CYS 4 2.095 2.464 -10.578 18 HB2 CYS 4 HB2 CYS 4 2.823 0.127 -11.245 19 HB3 CYS 4 HB3 CYS 4 3.229 0.617 -9.603 20 H SER 5 H SER 5 2.085 1.518 -12.868 21 HA SER 5 HA SER 5 -0.636 0.823 -13.725 22 HB2 SER 5 HB2 SER 5 0.678 2.591 -15.624 23 HB3 SER 5 HB3 SER 5 -0.932 2.706 -14.914 24 HG SER 5 HG SER 5 -0.189 4.203 -13.658 25 H CYS 6 H CYS 6 -0.770 -0.521 -15.479 26 HA CYS 6 HA CYS 6 1.784 -1.631 -16.422 27 HB2 CYS 6 HB2 CYS 6 -0.949 -2.787 -16.031 28 HB3 CYS 6 HB3 CYS 6 0.124 -3.508 -17.227 29 H GLY 7 H GLY 7 0.473 0.804 -17.465 30 HA2 GLY 7 HA2 GLY 7 0.940 1.353 -19.833 31 HA3 GLY 7 HA3 GLY 7 0.062 -0.113 -20.245 32 H ASN 8 H ASN 8 -2.252 -0.153 -19.357 33 HA ASN 8 HA ASN 8 -3.448 2.530 -19.483 34 HB2 ASN 8 HB2 ASN 8 -4.338 0.082 -21.021 35 HB3 ASN 8 HB3 ASN 8 -5.291 1.555 -20.873 36 HD21 ASN 8 HD21 ASN 8 -4.577 0.591 -23.323 37 HD22 ASN 8 HD22 ASN 8 -3.422 1.650 -24.054 38 H SER 9 H SER 9 -2.877 0.639 -17.276 39 HA SER 9 HA SER 9 -5.529 0.690 -16.090 40 HB2 SER 9 HB2 SER 9 -5.229 -1.575 -17.195 41 HB3 SER 9 HB3 SER 9 -3.932 -1.876 -16.037 42 HG SER 9 HG SER 9 -6.411 -2.381 -15.641 43 H LYS 10 H LYS 10 -5.443 0.158 -13.737 44 HA LYS 10 HA LYS 10 -2.905 1.122 -12.605 45 HB2 LYS 10 HB2 LYS 10 -5.686 1.204 -11.418 46 HB3 LYS 10 HB3 LYS 10 -4.234 1.858 -10.672 47 HG2 LYS 10 HG2 LYS 10 -4.039 3.547 -12.322 48 HG3 LYS 10 HG3 LYS 10 -5.268 2.788 -13.337 49 HD2 LYS 10 HD2 LYS 10 -6.836 3.145 -11.319 50 HD3 LYS 10 HD3 LYS 10 -5.607 4.279 -10.755 51 HE2 LYS 10 HE2 LYS 10 -7.147 5.588 -11.952 52 HE3 LYS 10 HE3 LYS 10 -5.784 5.367 -13.047 53 HZ1 LYS 10 HZ1 LYS 10 -6.968 3.879 -14.347 54 HZ2 LYS 10 HZ2 LYS 10 -8.137 5.035 -13.953 55 HZ3 LYS 10 HZ3 LYS 10 -8.108 3.551 -13.141 56 H GLY 11 H GLY 11 -1.906 0.039 -10.946 57 HA2 GLY 11 HA2 GLY 11 -3.184 -2.403 -9.933 58 HA3 GLY 11 HA3 GLY 11 -1.610 -2.536 -10.702 59 H ILE 12 H ILE 12 -1.479 -3.490 -8.341 60 HA ILE 12 HA ILE 12 -0.743 -1.358 -6.463 61 HB ILE 12 HB ILE 12 -1.150 -4.308 -5.955 62 HG12 ILE 12 HG12 ILE 12 -3.247 -3.169 -6.453 63 HG13 ILE 12 HG13 ILE 12 -3.172 -3.566 -4.739 64 HG21 ILE 12 HG21 ILE 12 -0.196 -2.063 -4.257 65 HG22 ILE 12 HG22 ILE 12 -1.226 -3.291 -3.522 66 HG23 ILE 12 HG23 ILE 12 0.299 -3.754 -4.276 67 HD11 ILE 12 HD11 ILE 12 -3.616 -1.456 -4.273 68 HD12 ILE 12 HD12 ILE 12 -2.088 -0.988 -5.020 69 HD13 ILE 12 HD13 ILE 12 -3.563 -1.036 -5.986 70 H TYR 13 H TYR 13 1.321 -0.914 -6.075 71 HA TYR 13 HA TYR 13 3.385 -2.547 -7.290 72 HB2 TYR 13 HB2 TYR 13 3.711 -0.226 -7.602 73 HB3 TYR 13 HB3 TYR 13 3.386 0.131 -5.910 74 HD1 TYR 13 HD1 TYR 13 5.646 -2.460 -7.332 75 HD2 TYR 13 HD2 TYR 13 5.335 1.205 -5.193 76 HE1 TYR 13 HE1 TYR 13 8.058 -2.539 -6.858 77 HE2 TYR 13 HE2 TYR 13 7.747 1.137 -4.715 78 HH TYR 13 HH TYR 13 9.726 0.147 -5.367 79 H TRP 14 H TRP 14 4.184 -4.227 -6.232 80 HA TRP 14 HA TRP 14 4.262 -4.166 -3.298 81 HB2 TRP 14 HB2 TRP 14 4.544 -6.512 -5.188 82 HB3 TRP 14 HB3 TRP 14 4.519 -6.607 -3.429 83 HD1 TRP 14 HD1 TRP 14 2.202 -5.852 -6.406 84 HE1 TRP 14 HE1 TRP 14 -0.233 -6.188 -5.642 85 HE3 TRP 14 HE3 TRP 14 3.018 -6.655 -1.424 86 HZ2 TRP 14 HZ2 TRP 14 -1.624 -6.722 -3.245 87 HZ3 TRP 14 HZ3 TRP 14 1.082 -7.070 0.036 88 HH2 TRP 14 HH2 TRP 14 -1.190 -7.102 -0.856 89 H PHE 15 H PHE 15 6.131 -3.860 -2.294 90 HA PHE 15 HA PHE 15 8.569 -3.556 -3.721 91 HB2 PHE 15 HB2 PHE 15 7.833 -3.540 -0.807 92 HB3 PHE 15 HB3 PHE 15 9.519 -3.480 -1.308 93 HD1 PHE 15 HD2 PHE 15 10.129 -1.629 -3.027 94 HD2 PHE 15 HD1 PHE 15 6.632 -1.584 -0.601 95 HE1 PHE 15 HE2 PHE 15 9.949 0.804 -3.340 96 HE2 PHE 15 HE1 PHE 15 6.446 0.850 -0.911 97 HZ PHE 15 HZ PHE 15 8.105 2.048 -2.280 98 H TYR 16 H TYR 16 9.726 -5.180 -4.506 99 HA TYR 16 HA TYR 16 10.697 -7.222 -4.770 100 HB2 TYR 16 HB2 TYR 16 10.813 -7.074 -1.751 101 HB3 TYR 16 HB3 TYR 16 11.739 -8.189 -2.748 102 HD1 TYR 16 HD2 TYR 16 13.263 -7.085 -4.564 103 HD2 TYR 16 HD1 TYR 16 11.751 -5.039 -1.153 104 HE1 TYR 16 HE2 TYR 16 15.053 -5.413 -4.782 105 HE2 TYR 16 HE1 TYR 16 13.536 -3.360 -1.362 106 HH TYR 16 HH TYR 16 16.105 -3.547 -2.582 107 H ARG 17 H ARG 17 8.362 -7.776 -5.397 108 HA ARG 17 HA ARG 17 7.672 -10.241 -4.015 109 HB2 ARG 17 HB2 ARG 17 6.049 -7.797 -3.927 110 HB3 ARG 17 HB3 ARG 17 5.163 -9.222 -4.451 111 HG2 ARG 17 HG2 ARG 17 5.678 -10.378 -2.433 112 HG3 ARG 17 HG3 ARG 17 6.807 -9.117 -1.936 113 HD2 ARG 17 HD2 ARG 17 5.032 -7.546 -1.642 114 HD3 ARG 17 HD3 ARG 17 3.865 -8.648 -2.373 115 HE ARG 17 HE ARG 17 4.725 -8.624 0.342 116 HH11 ARG 17 HH11 ARG 17 3.663 -10.712 -2.233 117 HH12 ARG 17 HH12 ARG 17 3.040 -11.927 -1.168 118 HH21 ARG 17 HH21 ARG 17 3.908 -10.217 1.756 119 HH22 ARG 17 HH22 ARG 17 3.179 -11.644 1.102 120 HA PRO 18 HA PRO 18 7.492 -10.527 -8.627 121 HB2 PRO 18 HB2 PRO 18 8.783 -12.911 -8.751 122 HB3 PRO 18 HB3 PRO 18 9.632 -11.362 -8.702 123 HG2 PRO 18 HG2 PRO 18 9.094 -13.297 -6.482 124 HG3 PRO 18 HG3 PRO 18 10.578 -12.400 -6.849 125 HD2 PRO 18 HD2 PRO 18 8.847 -11.622 -4.917 126 HD3 PRO 18 HD3 PRO 18 9.803 -10.465 -5.866 127 H SER 19 H SER 19 6.320 -12.286 -5.967 128 HA SER 19 HA SER 19 4.559 -13.859 -7.733 129 HB2 SER 19 HB2 SER 19 5.335 -14.649 -4.922 130 HB3 SER 19 HB3 SER 19 4.523 -15.635 -6.137 131 HG SER 19 HG SER 19 7.111 -14.585 -6.558 132 H CYS 20 H CYS 20 2.730 -12.689 -7.792 133 HA CYS 20 HA CYS 20 1.737 -11.056 -5.746 134 HB2 CYS 20 HB2 CYS 20 0.207 -12.423 -7.970 135 HB3 CYS 20 HB3 CYS 20 -0.375 -11.068 -7.010 136 HA PRO 21 HA PRO 21 -0.161 -13.773 -2.868 137 HB2 PRO 21 HB2 PRO 21 -2.284 -12.285 -2.066 138 HB3 PRO 21 HB3 PRO 21 -0.620 -11.914 -1.600 139 HG2 PRO 21 HG2 PRO 21 -2.300 -10.695 -3.758 140 HG3 PRO 21 HG3 PRO 21 -1.221 -9.900 -2.596 141 HD2 PRO 21 HD2 PRO 21 -0.496 -10.391 -5.159 142 HD3 PRO 21 HD3 PRO 21 0.668 -10.399 -3.818 143 H THR 22 H THR 22 -1.966 -15.138 -2.505 144 HA THR 22 HA THR 22 -3.567 -15.586 -4.907 145 HB THR 22 HB THR 22 -4.048 -17.768 -4.051 146 HG1 THR 22 HG1 THR 22 -3.732 -18.332 -1.966 147 HG21 THR 22 HG21 THR 22 -1.795 -17.426 -5.021 148 HG22 THR 22 HG22 THR 22 -1.831 -18.719 -3.821 149 HG23 THR 22 HG23 THR 22 -1.168 -17.141 -3.398 150 H ASP 23 H ASP 23 -3.873 -14.478 -1.646 151 HA ASP 23 HA ASP 23 -6.635 -14.956 -1.275 152 HB2 ASP 23 HB2 ASP 23 -4.608 -13.164 0.003 153 HB3 ASP 23 HB3 ASP 23 -6.315 -12.916 0.359 154 H ARG 24 H ARG 24 -4.879 -12.576 -3.055 155 HA ARG 24 HA ARG 24 -7.166 -10.790 -3.266 156 HB2 ARG 24 HB2 ARG 24 -4.438 -10.632 -4.563 157 HB3 ARG 24 HB3 ARG 24 -5.669 -9.377 -4.603 158 HG2 ARG 24 HG2 ARG 24 -4.728 -10.362 -1.961 159 HG3 ARG 24 HG3 ARG 24 -3.683 -9.287 -2.892 160 HD2 ARG 24 HD2 ARG 24 -4.904 -7.797 -1.616 161 HD3 ARG 24 HD3 ARG 24 -5.818 -7.832 -3.124 162 HE ARG 24 HE ARG 24 -7.005 -9.746 -1.612 163 HH11 ARG 24 HH11 ARG 24 -6.240 -6.389 -1.097 164 HH12 ARG 24 HH12 ARG 24 -7.582 -6.111 -0.037 165 HH21 ARG 24 HH21 ARG 24 -8.777 -9.392 -0.219 166 HH22 ARG 24 HH22 ARG 24 -9.024 -7.820 0.462 167 H GLY 25 H GLY 25 -7.400 -9.903 -5.678 168 HA2 GLY 25 HA2 GLY 25 -7.868 -12.295 -7.346 169 HA3 GLY 25 HA3 GLY 25 -8.892 -10.868 -7.359 170 H TYR 26 H TYR 26 -5.418 -11.582 -7.749 171 HA TYR 26 HA TYR 26 -5.302 -9.577 -9.876 172 HB2 TYR 26 HB2 TYR 26 -3.054 -11.087 -8.527 173 HB3 TYR 26 HB3 TYR 26 -2.874 -9.752 -9.659 174 HD1 TYR 26 HD2 TYR 26 -4.804 -7.797 -8.744 175 HD2 TYR 26 HD1 TYR 26 -2.294 -10.367 -6.463 176 HE1 TYR 26 HE2 TYR 26 -4.877 -6.200 -6.875 177 HE2 TYR 26 HE1 TYR 26 -2.361 -8.777 -4.588 178 HH TYR 26 HH TYR 26 -3.710 -5.606 -4.914 179 H THR 27 H THR 27 -4.780 -10.036 -11.966 180 HA THR 27 HA THR 27 -4.565 -12.892 -12.667 181 HB THR 27 HB THR 27 -5.655 -12.377 -14.796 182 HG1 THR 27 HG1 THR 27 -5.580 -10.348 -15.388 183 HG21 THR 27 HG21 THR 27 -7.904 -11.535 -13.765 184 HG22 THR 27 HG22 THR 27 -7.039 -11.689 -12.236 185 HG23 THR 27 HG23 THR 27 -7.245 -13.097 -13.279 186 H GLY 28 H GLY 28 -3.560 -9.607 -13.530 187 HA2 GLY 28 HA2 GLY 28 -1.302 -10.788 -15.027 188 HA3 GLY 28 HA3 GLY 28 -2.035 -9.241 -15.424 189 H SER 29 H SER 29 0.756 -9.883 -14.814 190 HA SER 29 HA SER 29 1.131 -7.903 -12.690 191 HB2 SER 29 HB2 SER 29 2.626 -9.198 -11.438 192 HB3 SER 29 HB3 SER 29 1.365 -10.355 -11.867 193 HG SER 29 HG SER 29 3.881 -10.660 -12.296 194 H CYS 30 H CYS 30 2.843 -6.547 -12.992 195 HA CYS 30 HA CYS 30 4.541 -7.050 -15.347 196 HB2 CYS 30 HB2 CYS 30 3.623 -4.318 -14.448 197 HB3 CYS 30 HB3 CYS 30 4.446 -4.738 -15.946 198 H ARG 31 H ARG 31 6.649 -7.066 -14.940 199 HA ARG 31 HA ARG 31 7.745 -6.811 -12.400 200 HB2 ARG 31 HB2 ARG 31 8.960 -6.706 -15.150 201 HB3 ARG 31 HB3 ARG 31 9.950 -6.529 -13.708 202 HG2 ARG 31 HG2 ARG 31 8.755 -8.748 -12.991 203 HG3 ARG 31 HG3 ARG 31 8.494 -8.912 -14.729 204 HD2 ARG 31 HD2 ARG 31 10.752 -9.068 -15.187 205 HD3 ARG 31 HD3 ARG 31 11.215 -8.239 -13.702 206 HE ARG 31 HE ARG 31 11.254 -10.260 -12.642 207 HH11 ARG 31 HH11 ARG 31 9.422 -10.572 -15.585 208 HH12 ARG 31 HH12 ARG 31 9.249 -12.291 -15.448 209 HH21 ARG 31 HH21 ARG 31 11.034 -12.522 -12.451 210 HH22 ARG 31 HH22 ARG 31 10.166 -13.399 -13.666 211 H TYR 32 H TYR 32 8.466 -5.157 -11.202 212 HA TYR 32 HA TYR 32 8.266 -2.465 -12.352 213 HB2 TYR 32 HB2 TYR 32 7.057 -3.301 -10.161 214 HB3 TYR 32 HB3 TYR 32 8.615 -2.952 -9.421 215 HD1 TYR 32 HD2 TYR 32 5.966 -1.400 -11.533 216 HD2 TYR 32 HD1 TYR 32 9.115 -0.781 -8.739 217 HE1 TYR 32 HE2 TYR 32 5.350 0.976 -11.372 218 HE2 TYR 32 HE1 TYR 32 8.505 1.596 -8.569 219 HH TYR 32 HH TYR 32 6.151 2.928 -9.011 220 H PHE 33 H PHE 33 9.831 -0.850 -11.302 221 HA PHE 33 HA PHE 33 12.428 -1.436 -12.092 222 HB2 PHE 33 HB2 PHE 33 11.233 0.842 -11.520 223 HB3 PHE 33 HB3 PHE 33 11.965 0.588 -9.940 224 HD1 PHE 33 HD1 PHE 33 14.365 0.673 -9.651 225 HD2 PHE 33 HD2 PHE 33 12.584 1.310 -13.464 226 HE1 PHE 33 HE1 PHE 33 16.485 1.607 -10.482 227 HE2 PHE 33 HE2 PHE 33 14.700 2.244 -14.300 228 HZ PHE 33 HZ PHE 33 16.654 2.393 -12.810 229 H LEU 34 H LEU 34 11.103 -1.317 -8.791 230 HA LEU 34 HA LEU 34 13.492 -2.748 -7.850 231 HB2 LEU 34 HB2 LEU 34 11.472 -1.034 -6.431 232 HB3 LEU 34 HB3 LEU 34 12.618 -2.057 -5.567 233 HG LEU 34 HG LEU 34 13.754 -0.164 -7.540 234 HD11 LEU 34 HD11 LEU 34 13.230 1.022 -4.899 235 HD12 LEU 34 HD12 LEU 34 11.829 0.874 -5.960 236 HD13 LEU 34 HD13 LEU 34 13.252 1.765 -6.498 237 HD21 LEU 34 HD21 LEU 34 14.510 -0.946 -4.726 238 HD22 LEU 34 HD22 LEU 34 15.479 0.024 -5.835 239 HD23 LEU 34 HD23 LEU 34 15.149 -1.669 -6.202 240 H GLY 35 H GLY 35 9.948 -2.717 -7.590 241 HA2 GLY 35 HA2 GLY 35 10.088 -5.533 -6.710 242 HA3 GLY 35 HA3 GLY 35 8.807 -4.424 -6.246 243 H THR 36 H THR 36 6.997 -5.188 -7.130 244 HA THR 36 HA THR 36 6.908 -5.479 -10.036 245 HB THR 36 HB THR 36 5.512 -7.560 -8.393 246 HG1 THR 36 HG1 THR 36 7.433 -8.234 -7.787 247 HG21 THR 36 HG21 THR 36 6.072 -7.025 -11.206 248 HG22 THR 36 HG22 THR 36 4.831 -8.042 -10.474 249 HG23 THR 36 HG23 THR 36 6.456 -8.676 -10.726 250 H CYS 37 H CYS 37 4.707 -5.475 -10.892 251 HA CYS 37 HA CYS 37 2.841 -4.070 -9.094 252 HB2 CYS 37 HB2 CYS 37 3.750 -2.653 -10.914 253 HB3 CYS 37 HB3 CYS 37 3.093 -3.781 -12.095 254 H CYS 38 H CYS 38 1.233 -5.367 -8.516 255 HA CYS 38 HA CYS 38 0.338 -7.471 -10.337 256 HB2 CYS 38 HB2 CYS 38 -0.327 -6.953 -7.432 257 HB3 CYS 38 HB3 CYS 38 -0.913 -8.322 -8.373 258 H THR 39 H THR 39 -1.521 -7.377 -11.425 259 HA THR 39 HA THR 39 -3.477 -5.307 -10.666 260 HB THR 39 HB THR 39 -4.012 -5.434 -13.253 261 HG1 THR 39 HG1 THR 39 -1.310 -6.285 -13.033 262 HG21 THR 39 HG21 THR 39 -1.633 -3.895 -12.207 263 HG22 THR 39 HG22 THR 39 -3.318 -3.426 -11.979 264 HG23 THR 39 HG23 THR 39 -2.628 -3.477 -13.600 265 HA PRO 40 HA PRO 40 -5.400 -4.699 -12.066 266 HB2 PRO 40 HB2 PRO 40 -7.841 -4.504 -10.892 267 HB3 PRO 40 HB3 PRO 40 -7.613 -5.088 -12.546 268 HG2 PRO 40 HG2 PRO 40 -8.021 -6.650 -10.025 269 HG3 PRO 40 HG3 PRO 40 -8.739 -6.903 -11.626 270 HD2 PRO 40 HD2 PRO 40 -6.647 -8.365 -10.720 271 HD3 PRO 40 HD3 PRO 40 -6.864 -7.969 -12.437 272 H ALA 41 H ALA 41 -6.081 -2.876 -10.532 273 HA ALA 41 HA ALA 41 -4.498 -3.098 -8.146 274 HB1 ALA 41 HB1 ALA 41 -5.813 -0.677 -7.994 275 HB2 ALA 41 HB2 ALA 41 -4.226 -0.960 -8.713 276 HB3 ALA 41 HB3 ALA 41 -5.668 -0.964 -9.729 277 H ASP 42 H ASP 42 -5.309 -4.182 -6.463 278 HA ASP 42 HA ASP 42 -7.955 -4.705 -5.884 279 HB2 ASP 42 HB2 ASP 42 -7.234 -5.530 -3.828 280 HB3 ASP 42 HB3 ASP 42 -5.776 -5.631 -4.812 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.893 -1.007 -0.371 2 HA2 GLY 1 HA2 GLY 1 2.804 0.608 -0.620 3 HA3 GLY 1 HA3 GLY 1 2.601 -0.445 -2.012 4 H THR 2 H THR 2 3.136 0.782 -3.712 5 HA THR 2 HA THR 2 2.011 3.491 -3.896 6 HB THR 2 HB THR 2 4.076 2.479 -5.809 7 HG1 THR 2 HG1 THR 2 5.554 3.510 -4.094 8 HG21 THR 2 HG21 THR 2 4.820 4.909 -5.490 9 HG22 THR 2 HG22 THR 2 3.290 5.136 -4.641 10 HG23 THR 2 HG23 THR 2 3.295 4.635 -6.332 11 H ALA 3 H ALA 3 1.384 4.208 -6.112 12 HA ALA 3 HA ALA 3 -0.318 2.178 -7.320 13 HB1 ALA 3 HB1 ALA 3 -1.306 4.335 -6.779 14 HB2 ALA 3 HB2 ALA 3 -0.147 5.144 -7.834 15 HB3 ALA 3 HB3 ALA 3 -1.346 4.047 -8.520 16 H CYS 4 H CYS 4 0.224 1.102 -9.094 17 HA CYS 4 HA CYS 4 2.248 2.277 -10.887 18 HB2 CYS 4 HB2 CYS 4 2.834 -0.138 -11.431 19 HB3 CYS 4 HB3 CYS 4 3.308 0.434 -9.836 20 H SER 5 H SER 5 2.165 1.226 -13.123 21 HA SER 5 HA SER 5 -0.601 0.634 -13.916 22 HB2 SER 5 HB2 SER 5 0.855 2.217 -15.898 23 HB3 SER 5 HB3 SER 5 -0.782 2.423 -15.275 24 HG SER 5 HG SER 5 1.248 3.936 -14.754 25 H CYS 6 H CYS 6 -0.833 -0.839 -15.541 26 HA CYS 6 HA CYS 6 1.634 -2.157 -16.436 27 HB2 CYS 6 HB2 CYS 6 -1.139 -3.094 -15.883 28 HB3 CYS 6 HB3 CYS 6 -0.235 -3.926 -17.145 29 H GLY 7 H GLY 7 0.360 0.292 -17.609 30 HA2 GLY 7 HA2 GLY 7 0.876 0.691 -20.005 31 HA3 GLY 7 HA3 GLY 7 -0.046 -0.767 -20.338 32 H ASN 8 H ASN 8 -2.363 -0.684 -19.450 33 HA ASN 8 HA ASN 8 -3.471 2.022 -19.782 34 HB2 ASN 8 HB2 ASN 8 -4.753 -0.460 -20.931 35 HB3 ASN 8 HB3 ASN 8 -5.212 1.217 -21.212 36 HD21 ASN 8 HD21 ASN 8 -2.910 -1.287 -21.930 37 HD22 ASN 8 HD22 ASN 8 -2.191 -0.512 -23.296 38 H SER 9 H SER 9 -2.930 0.210 -17.449 39 HA SER 9 HA SER 9 -5.527 0.550 -16.190 40 HB2 SER 9 HB2 SER 9 -5.422 -1.800 -17.183 41 HB3 SER 9 HB3 SER 9 -4.159 -2.136 -16.000 42 HG SER 9 HG SER 9 -6.591 -2.500 -15.536 43 H LYS 10 H LYS 10 -5.422 0.251 -13.832 44 HA LYS 10 HA LYS 10 -2.773 1.026 -12.827 45 HB2 LYS 10 HB2 LYS 10 -5.488 1.384 -11.546 46 HB3 LYS 10 HB3 LYS 10 -3.962 1.988 -10.914 47 HG2 LYS 10 HG2 LYS 10 -3.789 3.627 -12.539 48 HG3 LYS 10 HG3 LYS 10 -4.894 2.797 -13.637 49 HD2 LYS 10 HD2 LYS 10 -6.780 3.432 -12.392 50 HD3 LYS 10 HD3 LYS 10 -5.809 3.865 -10.982 51 HE2 LYS 10 HE2 LYS 10 -5.461 5.309 -13.582 52 HE3 LYS 10 HE3 LYS 10 -6.770 5.744 -12.483 53 HZ1 LYS 10 HZ1 LYS 10 -5.203 7.093 -11.634 54 HZ2 LYS 10 HZ2 LYS 10 -3.911 6.172 -12.220 55 HZ3 LYS 10 HZ3 LYS 10 -4.709 5.703 -10.804 56 H GLY 11 H GLY 11 -1.915 0.082 -10.948 57 HA2 GLY 11 HA2 GLY 11 -3.303 -2.243 -9.842 58 HA3 GLY 11 HA3 GLY 11 -1.746 -2.524 -10.608 59 H ILE 12 H ILE 12 -1.518 -3.355 -8.264 60 HA ILE 12 HA ILE 12 -0.696 -1.160 -6.489 61 HB ILE 12 HB ILE 12 -1.228 -4.059 -5.824 62 HG12 ILE 12 HG12 ILE 12 -3.259 -2.759 -6.375 63 HG13 ILE 12 HG13 ILE 12 -3.216 -3.230 -4.681 64 HG21 ILE 12 HG21 ILE 12 -0.201 -1.757 -4.226 65 HG22 ILE 12 HG22 ILE 12 -1.193 -2.987 -3.444 66 HG23 ILE 12 HG23 ILE 12 0.317 -3.443 -4.232 67 HD11 ILE 12 HD11 ILE 12 -3.583 -0.669 -5.750 68 HD12 ILE 12 HD12 ILE 12 -3.413 -1.123 -4.054 69 HD13 ILE 12 HD13 ILE 12 -1.991 -0.668 -4.991 70 H TYR 13 H TYR 13 1.387 -0.831 -6.051 71 HA TYR 13 HA TYR 13 3.364 -2.576 -7.267 72 HB2 TYR 13 HB2 TYR 13 3.804 -0.282 -7.622 73 HB3 TYR 13 HB3 TYR 13 3.497 0.123 -5.937 74 HD1 TYR 13 HD2 TYR 13 5.636 -2.591 -7.320 75 HD2 TYR 13 HD1 TYR 13 5.492 1.112 -5.228 76 HE1 TYR 13 HE2 TYR 13 8.041 -2.774 -6.844 77 HE2 TYR 13 HE1 TYR 13 7.897 0.939 -4.746 78 HH TYR 13 HH TYR 13 9.731 -1.947 -5.556 79 H TRP 14 H TRP 14 4.118 -4.263 -6.190 80 HA TRP 14 HA TRP 14 4.188 -4.175 -3.256 81 HB2 TRP 14 HB2 TRP 14 4.390 -6.534 -5.141 82 HB3 TRP 14 HB3 TRP 14 4.403 -6.632 -3.382 83 HD1 TRP 14 HD1 TRP 14 2.040 -5.822 -6.306 84 HE1 TRP 14 HE1 TRP 14 -0.385 -6.093 -5.488 85 HE3 TRP 14 HE3 TRP 14 2.946 -6.630 -1.340 86 HZ2 TRP 14 HZ2 TRP 14 -1.735 -6.583 -3.058 87 HZ3 TRP 14 HZ3 TRP 14 1.031 -6.991 0.164 88 HH2 TRP 14 HH2 TRP 14 -1.260 -6.967 -0.679 89 H PHE 15 H PHE 15 6.060 -3.851 -2.269 90 HA PHE 15 HA PHE 15 8.511 -3.648 -3.678 91 HB2 PHE 15 HB2 PHE 15 7.726 -3.539 -0.786 92 HB3 PHE 15 HB3 PHE 15 9.430 -3.610 -1.228 93 HD1 PHE 15 HD2 PHE 15 10.219 -1.854 -2.978 94 HD2 PHE 15 HD1 PHE 15 6.671 -1.496 -0.653 95 HE1 PHE 15 HE2 PHE 15 10.224 0.577 -3.352 96 HE2 PHE 15 HE1 PHE 15 6.671 0.937 -1.024 97 HZ PHE 15 HZ PHE 15 8.449 1.977 -2.374 98 H TYR 16 H TYR 16 9.685 -5.283 -4.403 99 HA TYR 16 HA TYR 16 10.591 -7.359 -4.651 100 HB2 TYR 16 HB2 TYR 16 10.681 -7.213 -1.630 101 HB3 TYR 16 HB3 TYR 16 11.620 -8.315 -2.632 102 HD1 TYR 16 HD2 TYR 16 13.106 -7.134 -4.471 103 HD2 TYR 16 HD1 TYR 16 11.663 -5.234 -0.948 104 HE1 TYR 16 HE2 TYR 16 14.894 -5.455 -4.652 105 HE2 TYR 16 HE1 TYR 16 13.447 -3.549 -1.120 106 HH TYR 16 HH TYR 16 15.085 -2.726 -2.406 107 H ARG 17 H ARG 17 8.267 -7.889 -5.302 108 HA ARG 17 HA ARG 17 7.501 -10.309 -3.879 109 HB2 ARG 17 HB2 ARG 17 5.918 -7.831 -3.894 110 HB3 ARG 17 HB3 ARG 17 5.021 -9.265 -4.376 111 HG2 ARG 17 HG2 ARG 17 5.672 -10.371 -2.294 112 HG3 ARG 17 HG3 ARG 17 6.563 -8.927 -1.812 113 HD2 ARG 17 HD2 ARG 17 4.654 -7.711 -1.424 114 HD3 ARG 17 HD3 ARG 17 3.693 -8.661 -2.557 115 HE ARG 17 HE ARG 17 3.999 -9.134 0.228 116 HH11 ARG 17 HH11 ARG 17 3.615 -10.746 -2.834 117 HH12 ARG 17 HH12 ARG 17 2.872 -12.153 -2.149 118 HH21 ARG 17 HH21 ARG 17 3.021 -10.982 1.142 119 HH22 ARG 17 HH22 ARG 17 2.534 -12.285 0.112 120 HA PRO 18 HA PRO 18 7.402 -10.694 -8.488 121 HB2 PRO 18 HB2 PRO 18 8.647 -13.106 -8.532 122 HB3 PRO 18 HB3 PRO 18 9.526 -11.572 -8.502 123 HG2 PRO 18 HG2 PRO 18 8.907 -13.446 -6.251 124 HG3 PRO 18 HG3 PRO 18 10.417 -12.588 -6.609 125 HD2 PRO 18 HD2 PRO 18 8.665 -11.733 -4.729 126 HD3 PRO 18 HD3 PRO 18 9.662 -10.616 -5.684 127 H SER 19 H SER 19 6.118 -12.336 -5.816 128 HA SER 19 HA SER 19 4.335 -13.882 -7.580 129 HB2 SER 19 HB2 SER 19 5.108 -14.745 -4.792 130 HB3 SER 19 HB3 SER 19 4.287 -15.692 -6.032 131 HG SER 19 HG SER 19 6.942 -15.321 -5.622 132 H CYS 20 H CYS 20 2.537 -12.662 -7.594 133 HA CYS 20 HA CYS 20 1.610 -11.032 -5.522 134 HB2 CYS 20 HB2 CYS 20 0.013 -12.364 -7.721 135 HB3 CYS 20 HB3 CYS 20 -0.532 -11.008 -6.739 136 HA PRO 21 HA PRO 21 -0.276 -13.724 -2.612 137 HB2 PRO 21 HB2 PRO 21 -2.354 -12.199 -1.761 138 HB3 PRO 21 HB3 PRO 21 -0.674 -11.860 -1.328 139 HG2 PRO 21 HG2 PRO 21 -2.377 -10.605 -3.447 140 HG3 PRO 21 HG3 PRO 21 -1.259 -9.832 -2.307 141 HD2 PRO 21 HD2 PRO 21 -0.598 -10.329 -4.885 142 HD3 PRO 21 HD3 PRO 21 0.594 -10.363 -3.571 143 H THR 22 H THR 22 -1.951 -15.189 -2.347 144 HA THR 22 HA THR 22 -3.650 -15.558 -4.672 145 HB THR 22 HB THR 22 -3.317 -17.296 -2.219 146 HG1 THR 22 HG1 THR 22 -1.679 -18.156 -3.254 147 HG21 THR 22 HG21 THR 22 -5.354 -17.982 -3.064 148 HG22 THR 22 HG22 THR 22 -4.245 -19.008 -3.974 149 HG23 THR 22 HG23 THR 22 -4.926 -17.564 -4.722 150 H ASP 23 H ASP 23 -3.905 -14.454 -1.405 151 HA ASP 23 HA ASP 23 -6.649 -14.912 -0.965 152 HB2 ASP 23 HB2 ASP 23 -6.386 -12.947 0.667 153 HB3 ASP 23 HB3 ASP 23 -5.380 -14.366 0.941 154 H ARG 24 H ARG 24 -4.956 -12.550 -2.842 155 HA ARG 24 HA ARG 24 -7.287 -10.824 -3.074 156 HB2 ARG 24 HB2 ARG 24 -4.573 -10.618 -4.391 157 HB3 ARG 24 HB3 ARG 24 -5.835 -9.394 -4.439 158 HG2 ARG 24 HG2 ARG 24 -4.914 -10.295 -1.772 159 HG3 ARG 24 HG3 ARG 24 -3.815 -9.296 -2.725 160 HD2 ARG 24 HD2 ARG 24 -5.012 -7.722 -1.519 161 HD3 ARG 24 HD3 ARG 24 -5.874 -7.769 -3.056 162 HE ARG 24 HE ARG 24 -7.697 -8.658 -1.978 163 HH11 ARG 24 HH11 ARG 24 -4.927 -8.767 0.127 164 HH12 ARG 24 HH12 ARG 24 -5.844 -9.222 1.526 165 HH21 ARG 24 HH21 ARG 24 -8.916 -9.257 -0.144 166 HH22 ARG 24 HH22 ARG 24 -8.112 -9.501 1.370 167 H GLY 25 H GLY 25 -7.636 -10.010 -5.464 168 HA2 GLY 25 HA2 GLY 25 -7.983 -12.440 -7.108 169 HA3 GLY 25 HA3 GLY 25 -9.089 -11.074 -7.116 170 H TYR 26 H TYR 26 -5.582 -11.572 -7.546 171 HA TYR 26 HA TYR 26 -5.569 -9.538 -9.627 172 HB2 TYR 26 HB2 TYR 26 -3.299 -11.124 -8.409 173 HB3 TYR 26 HB3 TYR 26 -3.115 -9.806 -9.562 174 HD1 TYR 26 HD2 TYR 26 -4.795 -7.706 -8.663 175 HD2 TYR 26 HD1 TYR 26 -2.582 -10.480 -6.317 176 HE1 TYR 26 HE2 TYR 26 -4.743 -6.088 -6.812 177 HE2 TYR 26 HE1 TYR 26 -2.523 -8.871 -4.458 178 HH TYR 26 HH TYR 26 -3.028 -5.743 -4.717 179 H THR 27 H THR 27 -5.316 -9.912 -11.758 180 HA THR 27 HA THR 27 -5.255 -12.722 -12.618 181 HB THR 27 HB THR 27 -6.101 -11.793 -14.816 182 HG1 THR 27 HG1 THR 27 -6.865 -9.697 -14.822 183 HG21 THR 27 HG21 THR 27 -7.457 -12.645 -12.659 184 HG22 THR 27 HG22 THR 27 -8.245 -12.130 -14.151 185 HG23 THR 27 HG23 THR 27 -8.113 -11.013 -12.793 186 H GLY 28 H GLY 28 -3.893 -9.529 -13.371 187 HA2 GLY 28 HA2 GLY 28 -1.696 -10.917 -14.781 188 HA3 GLY 28 HA3 GLY 28 -2.296 -9.332 -15.247 189 H SER 29 H SER 29 0.409 -9.933 -14.669 190 HA SER 29 HA SER 29 0.852 -8.005 -12.532 191 HB2 SER 29 HB2 SER 29 2.457 -9.396 -11.354 192 HB3 SER 29 HB3 SER 29 0.912 -10.243 -11.439 193 HG SER 29 HG SER 29 3.330 -10.950 -12.453 194 H CYS 30 H CYS 30 2.498 -6.663 -12.970 195 HA CYS 30 HA CYS 30 4.317 -7.398 -15.171 196 HB2 CYS 30 HB2 CYS 30 3.440 -4.583 -14.529 197 HB3 CYS 30 HB3 CYS 30 4.292 -5.148 -15.961 198 H ARG 31 H ARG 31 6.394 -7.459 -14.642 199 HA ARG 31 HA ARG 31 7.404 -7.063 -12.109 200 HB2 ARG 31 HB2 ARG 31 9.573 -7.292 -13.041 201 HB3 ARG 31 HB3 ARG 31 8.506 -8.259 -14.049 202 HG2 ARG 31 HG2 ARG 31 9.335 -7.197 -15.805 203 HG3 ARG 31 HG3 ARG 31 8.519 -5.739 -15.233 204 HD2 ARG 31 HD2 ARG 31 10.563 -4.840 -15.136 205 HD3 ARG 31 HD3 ARG 31 10.774 -5.808 -13.678 206 HE ARG 31 HE ARG 31 11.443 -7.345 -15.942 207 HH11 ARG 31 HH11 ARG 31 12.613 -4.674 -14.041 208 HH12 ARG 31 HH12 ARG 31 14.279 -4.972 -14.410 209 HH21 ARG 31 HH21 ARG 31 13.633 -7.747 -16.436 210 HH22 ARG 31 HH22 ARG 31 14.858 -6.720 -15.774 211 H TYR 32 H TYR 32 8.572 -5.425 -11.094 212 HA TYR 32 HA TYR 32 8.196 -2.747 -12.263 213 HB2 TYR 32 HB2 TYR 32 7.031 -3.498 -10.026 214 HB3 TYR 32 HB3 TYR 32 8.612 -3.162 -9.328 215 HD1 TYR 32 HD1 TYR 32 5.952 -1.607 -11.425 216 HD2 TYR 32 HD2 TYR 32 9.161 -0.987 -8.702 217 HE1 TYR 32 HE1 TYR 32 5.383 0.784 -11.307 218 HE2 TYR 32 HE2 TYR 32 8.601 1.404 -8.576 219 HH TYR 32 HH TYR 32 6.355 2.791 -8.975 220 H PHE 33 H PHE 33 9.798 -1.110 -11.305 221 HA PHE 33 HA PHE 33 12.369 -1.740 -12.143 222 HB2 PHE 33 HB2 PHE 33 11.220 0.565 -11.638 223 HB3 PHE 33 HB3 PHE 33 11.942 0.358 -10.047 224 HD1 PHE 33 HD1 PHE 33 12.645 0.766 -13.632 225 HD2 PHE 33 HD2 PHE 33 14.283 0.615 -9.706 226 HE1 PHE 33 HE1 PHE 33 14.774 1.651 -14.490 227 HE2 PHE 33 HE2 PHE 33 16.415 1.500 -10.558 228 HZ PHE 33 HZ PHE 33 16.662 2.020 -12.954 229 H LEU 34 H LEU 34 11.062 -1.624 -8.843 230 HA LEU 34 HA LEU 34 13.490 -3.001 -7.906 231 HB2 LEU 34 HB2 LEU 34 11.517 -1.223 -6.502 232 HB3 LEU 34 HB3 LEU 34 12.645 -2.252 -5.621 233 HG LEU 34 HG LEU 34 13.811 -0.433 -7.645 234 HD11 LEU 34 HD11 LEU 34 11.943 0.777 -6.269 235 HD12 LEU 34 HD12 LEU 34 13.516 1.537 -6.509 236 HD13 LEU 34 HD13 LEU 34 13.149 0.733 -4.983 237 HD21 LEU 34 HD21 LEU 34 15.520 -0.211 -5.886 238 HD22 LEU 34 HD22 LEU 34 15.225 -1.892 -6.329 239 HD23 LEU 34 HD23 LEU 34 14.550 -1.243 -4.835 240 H GLY 35 H GLY 35 9.952 -2.955 -7.617 241 HA2 GLY 35 HA2 GLY 35 10.097 -5.745 -6.652 242 HA3 GLY 35 HA3 GLY 35 8.826 -4.620 -6.197 243 H THR 36 H THR 36 6.990 -5.343 -7.049 244 HA THR 36 HA THR 36 6.863 -5.732 -9.939 245 HB THR 36 HB THR 36 5.564 -7.764 -8.136 246 HG1 THR 36 HG1 THR 36 7.413 -8.772 -7.964 247 HG21 THR 36 HG21 THR 36 4.598 -8.251 -10.102 248 HG22 THR 36 HG22 THR 36 6.163 -8.926 -10.554 249 HG23 THR 36 HG23 THR 36 5.752 -7.273 -11.009 250 H CYS 37 H CYS 37 4.682 -5.664 -10.785 251 HA CYS 37 HA CYS 37 2.843 -4.214 -8.996 252 HB2 CYS 37 HB2 CYS 37 3.731 -2.846 -10.852 253 HB3 CYS 37 HB3 CYS 37 3.085 -4.010 -12.006 254 H CYS 38 H CYS 38 1.075 -5.289 -8.458 255 HA CYS 38 HA CYS 38 0.188 -7.512 -10.157 256 HB2 CYS 38 HB2 CYS 38 -0.491 -6.843 -7.285 257 HB3 CYS 38 HB3 CYS 38 -1.099 -8.239 -8.168 258 H THR 39 H THR 39 -1.693 -7.460 -11.221 259 HA THR 39 HA THR 39 -3.606 -5.317 -10.573 260 HB THR 39 HB THR 39 -4.096 -5.449 -13.155 261 HG1 THR 39 HG1 THR 39 -1.471 -6.480 -12.883 262 HG21 THR 39 HG21 THR 39 -2.595 -3.567 -13.521 263 HG22 THR 39 HG22 THR 39 -1.678 -3.997 -12.076 264 HG23 THR 39 HG23 THR 39 -3.346 -3.448 -11.931 265 HA PRO 40 HA PRO 40 -5.497 -4.705 -12.000 266 HB2 PRO 40 HB2 PRO 40 -7.951 -4.467 -10.863 267 HB3 PRO 40 HB3 PRO 40 -7.708 -5.070 -12.507 268 HG2 PRO 40 HG2 PRO 40 -8.172 -6.602 -9.978 269 HG3 PRO 40 HG3 PRO 40 -8.870 -6.861 -11.587 270 HD2 PRO 40 HD2 PRO 40 -6.811 -8.340 -10.638 271 HD3 PRO 40 HD3 PRO 40 -6.996 -7.958 -12.362 272 H ALA 41 H ALA 41 -6.118 -2.849 -10.511 273 HA ALA 41 HA ALA 41 -4.548 -3.007 -8.143 274 HB1 ALA 41 HB1 ALA 41 -6.285 -0.703 -8.204 275 HB2 ALA 41 HB2 ALA 41 -4.528 -0.791 -8.325 276 HB3 ALA 41 HB3 ALA 41 -5.521 -0.969 -9.772 277 H ASP 42 H ASP 42 -5.255 -4.198 -6.479 278 HA ASP 42 HA ASP 42 -8.079 -4.031 -5.705 279 HB2 ASP 42 HB2 ASP 42 -5.905 -5.994 -4.965 280 HB3 ASP 42 HB3 ASP 42 -7.509 -5.999 -4.238 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.484 1.003 0.196 2 HA2 GLY 1 HA2 GLY 1 2.609 -0.660 -1.793 3 HA3 GLY 1 HA3 GLY 1 0.871 -0.912 -1.740 4 H THR 2 H THR 2 2.971 0.501 -3.578 5 HA THR 2 HA THR 2 1.744 3.142 -3.757 6 HB THR 2 HB THR 2 3.813 2.238 -5.707 7 HG1 THR 2 HG1 THR 2 5.438 2.687 -4.147 8 HG21 THR 2 HG21 THR 2 4.607 4.634 -5.029 9 HG22 THR 2 HG22 THR 2 2.977 4.781 -4.374 10 HG23 THR 2 HG23 THR 2 3.212 4.439 -6.088 11 H ALA 3 H ALA 3 1.226 3.952 -5.995 12 HA ALA 3 HA ALA 3 -0.493 1.993 -7.304 13 HB1 ALA 3 HB1 ALA 3 -1.479 3.917 -8.446 14 HB2 ALA 3 HB2 ALA 3 -1.464 4.144 -6.697 15 HB3 ALA 3 HB3 ALA 3 -0.279 4.974 -7.704 16 H CYS 4 H CYS 4 0.061 0.993 -9.118 17 HA CYS 4 HA CYS 4 2.118 2.225 -10.833 18 HB2 CYS 4 HB2 CYS 4 2.738 -0.178 -11.427 19 HB3 CYS 4 HB3 CYS 4 3.204 0.382 -9.823 20 H SER 5 H SER 5 2.086 1.208 -13.092 21 HA SER 5 HA SER 5 -0.665 0.615 -13.940 22 HB2 SER 5 HB2 SER 5 0.742 2.180 -15.931 23 HB3 SER 5 HB3 SER 5 -0.833 2.471 -15.191 24 HG SER 5 HG SER 5 1.567 3.631 -14.665 25 H CYS 6 H CYS 6 -0.872 -0.743 -15.700 26 HA CYS 6 HA CYS 6 1.617 -2.061 -16.556 27 HB2 CYS 6 HB2 CYS 6 -1.124 -3.066 -15.969 28 HB3 CYS 6 HB3 CYS 6 -0.221 -3.868 -17.250 29 H GLY 7 H GLY 7 0.227 0.361 -17.693 30 HA2 GLY 7 HA2 GLY 7 0.760 0.699 -20.133 31 HA3 GLY 7 HA3 GLY 7 -0.274 -0.695 -20.406 32 H ASN 8 H ASN 8 -2.545 -0.463 -19.513 33 HA ASN 8 HA ASN 8 -3.480 2.318 -19.715 34 HB2 ASN 8 HB2 ASN 8 -4.745 -0.067 -21.085 35 HB3 ASN 8 HB3 ASN 8 -5.380 1.575 -21.090 36 HD21 ASN 8 HD21 ASN 8 -3.829 -0.574 -22.922 37 HD22 ASN 8 HD22 ASN 8 -2.898 0.478 -23.927 38 H SER 9 H SER 9 -3.049 0.418 -17.463 39 HA SER 9 HA SER 9 -5.652 0.789 -16.221 40 HB2 SER 9 HB2 SER 9 -5.552 -1.542 -17.286 41 HB3 SER 9 HB3 SER 9 -4.348 -1.926 -16.056 42 HG SER 9 HG SER 9 -6.337 -2.505 -15.255 43 H LYS 10 H LYS 10 -5.561 0.290 -13.853 44 HA LYS 10 HA LYS 10 -2.941 1.099 -12.803 45 HB2 LYS 10 HB2 LYS 10 -5.737 1.371 -11.706 46 HB3 LYS 10 HB3 LYS 10 -4.304 1.683 -10.735 47 HG2 LYS 10 HG2 LYS 10 -5.021 3.115 -13.285 48 HG3 LYS 10 HG3 LYS 10 -5.274 3.735 -11.651 49 HD2 LYS 10 HD2 LYS 10 -2.585 2.942 -11.770 50 HD3 LYS 10 HD3 LYS 10 -2.905 3.797 -13.280 51 HE2 LYS 10 HE2 LYS 10 -3.919 5.638 -11.907 52 HE3 LYS 10 HE3 LYS 10 -3.326 4.804 -10.472 53 HZ1 LYS 10 HZ1 LYS 10 -1.627 5.778 -12.704 54 HZ2 LYS 10 HZ2 LYS 10 -1.079 5.031 -11.289 55 HZ3 LYS 10 HZ3 LYS 10 -1.814 6.553 -11.212 56 H GLY 11 H GLY 11 -2.103 0.112 -10.899 57 HA2 GLY 11 HA2 GLY 11 -3.364 -2.340 -9.964 58 HA3 GLY 11 HA3 GLY 11 -1.821 -2.534 -10.781 59 H ILE 12 H ILE 12 -1.838 -3.460 -8.326 60 HA ILE 12 HA ILE 12 -0.897 -1.361 -6.516 61 HB ILE 12 HB ILE 12 -1.436 -4.285 -5.983 62 HG12 ILE 12 HG12 ILE 12 -3.484 -3.042 -6.428 63 HG13 ILE 12 HG13 ILE 12 -3.382 -3.431 -4.714 64 HG21 ILE 12 HG21 ILE 12 0.017 -3.872 -4.298 65 HG22 ILE 12 HG22 ILE 12 -0.234 -2.128 -4.364 66 HG23 ILE 12 HG23 ILE 12 -1.414 -3.158 -3.553 67 HD11 ILE 12 HD11 ILE 12 -2.527 -1.130 -4.317 68 HD12 ILE 12 HD12 ILE 12 -2.847 -0.776 -6.015 69 HD13 ILE 12 HD13 ILE 12 -4.176 -1.199 -4.937 70 H TYR 13 H TYR 13 1.190 -1.049 -6.080 71 HA TYR 13 HA TYR 13 3.152 -2.792 -7.338 72 HB2 TYR 13 HB2 TYR 13 3.584 -0.503 -7.734 73 HB3 TYR 13 HB3 TYR 13 3.302 -0.073 -6.051 74 HD1 TYR 13 HD1 TYR 13 5.419 -2.810 -7.417 75 HD2 TYR 13 HD2 TYR 13 5.307 0.931 -5.393 76 HE1 TYR 13 HE1 TYR 13 7.833 -2.984 -6.975 77 HE2 TYR 13 HE2 TYR 13 7.721 0.768 -4.946 78 HH TYR 13 HH TYR 13 9.602 -0.362 -5.385 79 H TRP 14 H TRP 14 4.121 -4.371 -6.272 80 HA TRP 14 HA TRP 14 4.155 -4.276 -3.331 81 HB2 TRP 14 HB2 TRP 14 4.391 -6.661 -5.180 82 HB3 TRP 14 HB3 TRP 14 4.405 -6.726 -3.419 83 HD1 TRP 14 HD1 TRP 14 2.029 -5.995 -6.357 84 HE1 TRP 14 HE1 TRP 14 -0.391 -6.303 -5.537 85 HE3 TRP 14 HE3 TRP 14 2.946 -6.742 -1.383 86 HZ2 TRP 14 HZ2 TRP 14 -1.733 -6.797 -3.104 87 HZ3 TRP 14 HZ3 TRP 14 1.039 -7.124 0.122 88 HH2 TRP 14 HH2 TRP 14 -1.251 -7.151 -0.721 89 H PHE 15 H PHE 15 6.033 -3.945 -2.355 90 HA PHE 15 HA PHE 15 8.464 -3.714 -3.812 91 HB2 PHE 15 HB2 PHE 15 7.791 -3.622 -0.877 92 HB3 PHE 15 HB3 PHE 15 9.451 -3.502 -1.449 93 HD1 PHE 15 HD1 PHE 15 10.142 -1.587 -2.845 94 HD2 PHE 15 HD2 PHE 15 6.284 -1.801 -1.058 95 HE1 PHE 15 HE1 PHE 15 9.843 0.828 -3.208 96 HE2 PHE 15 HE2 PHE 15 5.980 0.614 -1.418 97 HZ PHE 15 HZ PHE 15 7.761 1.932 -2.495 98 H TYR 16 H TYR 16 9.587 -5.385 -4.547 99 HA TYR 16 HA TYR 16 10.573 -7.429 -4.720 100 HB2 TYR 16 HB2 TYR 16 10.643 -7.080 -1.719 101 HB3 TYR 16 HB3 TYR 16 11.458 -8.392 -2.563 102 HD1 TYR 16 HD2 TYR 16 11.288 -4.682 -2.362 103 HD2 TYR 16 HD1 TYR 16 13.609 -8.086 -3.424 104 HE1 TYR 16 HE2 TYR 16 13.242 -3.230 -2.721 105 HE2 TYR 16 HE1 TYR 16 15.569 -6.644 -3.784 106 HH TYR 16 HH TYR 16 15.648 -3.763 -4.393 107 H ARG 17 H ARG 17 8.238 -7.963 -5.384 108 HA ARG 17 HA ARG 17 7.506 -10.409 -3.999 109 HB2 ARG 17 HB2 ARG 17 5.924 -7.946 -3.875 110 HB3 ARG 17 HB3 ARG 17 5.009 -9.339 -4.436 111 HG2 ARG 17 HG2 ARG 17 5.133 -10.406 -2.434 112 HG3 ARG 17 HG3 ARG 17 6.694 -9.693 -2.026 113 HD2 ARG 17 HD2 ARG 17 5.526 -7.510 -1.702 114 HD3 ARG 17 HD3 ARG 17 3.996 -8.355 -1.930 115 HE ARG 17 HE ARG 17 5.143 -9.764 0.053 116 HH11 ARG 17 HH11 ARG 17 4.632 -6.351 -0.414 117 HH12 ARG 17 HH12 ARG 17 4.500 -6.007 1.280 118 HH21 ARG 17 HH21 ARG 17 4.971 -9.323 2.283 119 HH22 ARG 17 HH22 ARG 17 4.694 -7.698 2.812 120 HA PRO 18 HA PRO 18 7.311 -10.685 -8.608 121 HB2 PRO 18 HB2 PRO 18 8.547 -13.099 -8.734 122 HB3 PRO 18 HB3 PRO 18 9.431 -11.569 -8.682 123 HG2 PRO 18 HG2 PRO 18 8.847 -13.495 -6.467 124 HG3 PRO 18 HG3 PRO 18 10.352 -12.633 -6.832 125 HD2 PRO 18 HD2 PRO 18 8.637 -11.818 -4.899 126 HD3 PRO 18 HD3 PRO 18 9.620 -10.682 -5.845 127 H SER 19 H SER 19 6.119 -12.450 -5.950 128 HA SER 19 HA SER 19 4.326 -13.980 -7.719 129 HB2 SER 19 HB2 SER 19 4.102 -15.453 -5.556 130 HB3 SER 19 HB3 SER 19 5.490 -15.665 -6.623 131 HG SER 19 HG SER 19 6.295 -15.490 -4.578 132 H CYS 20 H CYS 20 2.521 -12.774 -7.806 133 HA CYS 20 HA CYS 20 1.528 -11.031 -5.910 134 HB2 CYS 20 HB2 CYS 20 0.102 -12.672 -8.003 135 HB3 CYS 20 HB3 CYS 20 -0.722 -11.466 -7.018 136 HA PRO 21 HA PRO 21 -0.166 -13.394 -2.623 137 HB2 PRO 21 HB2 PRO 21 -2.349 -11.921 -1.965 138 HB3 PRO 21 HB3 PRO 21 -0.696 -11.399 -1.614 139 HG2 PRO 21 HG2 PRO 21 -2.501 -10.591 -3.862 140 HG3 PRO 21 HG3 PRO 21 -1.439 -9.583 -2.862 141 HD2 PRO 21 HD2 PRO 21 -0.757 -10.395 -5.354 142 HD3 PRO 21 HD3 PRO 21 0.442 -10.150 -4.067 143 H THR 22 H THR 22 -1.802 -14.857 -2.062 144 HA THR 22 HA THR 22 -3.457 -15.706 -4.302 145 HB THR 22 HB THR 22 -3.167 -17.082 -1.630 146 HG1 THR 22 HG1 THR 22 -1.366 -18.017 -2.370 147 HG21 THR 22 HG21 THR 22 -3.993 -18.068 -4.363 148 HG22 THR 22 HG22 THR 22 -5.048 -17.847 -2.969 149 HG23 THR 22 HG23 THR 22 -3.789 -19.080 -2.935 150 H ASP 23 H ASP 23 -3.763 -14.135 -1.244 151 HA ASP 23 HA ASP 23 -6.509 -14.708 -0.777 152 HB2 ASP 23 HB2 ASP 23 -4.560 -12.694 0.294 153 HB3 ASP 23 HB3 ASP 23 -6.273 -12.543 0.671 154 H ARG 24 H ARG 24 -4.830 -12.452 -2.784 155 HA ARG 24 HA ARG 24 -7.177 -10.774 -3.161 156 HB2 ARG 24 HB2 ARG 24 -4.471 -10.641 -4.503 157 HB3 ARG 24 HB3 ARG 24 -5.738 -9.426 -4.601 158 HG2 ARG 24 HG2 ARG 24 -4.589 -10.224 -1.957 159 HG3 ARG 24 HG3 ARG 24 -3.770 -9.049 -2.988 160 HD2 ARG 24 HD2 ARG 24 -5.112 -7.774 -1.540 161 HD3 ARG 24 HD3 ARG 24 -5.982 -7.806 -3.073 162 HE ARG 24 HE ARG 24 -7.691 -8.871 -2.008 163 HH11 ARG 24 HH11 ARG 24 -4.782 -9.310 -0.146 164 HH12 ARG 24 HH12 ARG 24 -5.585 -10.118 1.160 165 HH21 ARG 24 HH21 ARG 24 -8.759 -9.934 -0.295 166 HH22 ARG 24 HH22 ARG 24 -7.846 -10.472 1.074 167 H GLY 25 H GLY 25 -7.607 -10.167 -5.565 168 HA2 GLY 25 HA2 GLY 25 -7.788 -12.694 -7.086 169 HA3 GLY 25 HA3 GLY 25 -9.040 -11.460 -7.095 170 H TYR 26 H TYR 26 -5.525 -11.648 -7.686 171 HA TYR 26 HA TYR 26 -5.817 -9.692 -9.832 172 HB2 TYR 26 HB2 TYR 26 -3.306 -10.940 -8.698 173 HB3 TYR 26 HB3 TYR 26 -3.380 -9.586 -9.819 174 HD1 TYR 26 HD2 TYR 26 -5.412 -7.855 -8.719 175 HD2 TYR 26 HD1 TYR 26 -2.473 -10.164 -6.685 176 HE1 TYR 26 HE2 TYR 26 -5.500 -6.288 -6.826 177 HE2 TYR 26 HE1 TYR 26 -2.553 -8.602 -4.785 178 HH TYR 26 HH TYR 26 -4.101 -6.971 -3.808 179 H THR 27 H THR 27 -5.281 -10.080 -11.962 180 HA THR 27 HA THR 27 -5.160 -12.919 -12.713 181 HB THR 27 HB THR 27 -5.943 -12.198 -14.937 182 HG1 THR 27 HG1 THR 27 -6.470 -9.633 -13.884 183 HG21 THR 27 HG21 THR 27 -8.214 -11.719 -14.327 184 HG22 THR 27 HG22 THR 27 -7.711 -11.080 -12.762 185 HG23 THR 27 HG23 THR 27 -7.541 -12.801 -13.108 186 H GLY 28 H GLY 28 -3.875 -9.764 -13.785 187 HA2 GLY 28 HA2 GLY 28 -1.492 -11.205 -14.773 188 HA3 GLY 28 HA3 GLY 28 -2.119 -9.735 -15.503 189 H SER 29 H SER 29 0.543 -10.015 -14.710 190 HA SER 29 HA SER 29 0.716 -7.829 -12.802 191 HB2 SER 29 HB2 SER 29 1.976 -8.897 -11.179 192 HB3 SER 29 HB3 SER 29 0.879 -10.196 -11.651 193 HG SER 29 HG SER 29 3.592 -9.995 -11.955 194 H CYS 30 H CYS 30 2.472 -6.528 -13.120 195 HA CYS 30 HA CYS 30 4.326 -7.334 -15.267 196 HB2 CYS 30 HB2 CYS 30 3.516 -4.495 -14.630 197 HB3 CYS 30 HB3 CYS 30 4.395 -5.074 -16.042 198 H ARG 31 H ARG 31 6.402 -7.426 -14.731 199 HA ARG 31 HA ARG 31 7.389 -7.103 -12.177 200 HB2 ARG 31 HB2 ARG 31 9.567 -7.340 -13.093 201 HB3 ARG 31 HB3 ARG 31 8.494 -8.277 -14.125 202 HG2 ARG 31 HG2 ARG 31 9.333 -7.193 -15.862 203 HG3 ARG 31 HG3 ARG 31 8.563 -5.726 -15.255 204 HD2 ARG 31 HD2 ARG 31 10.500 -4.892 -14.416 205 HD3 ARG 31 HD3 ARG 31 11.138 -6.487 -14.015 206 HE ARG 31 HE ARG 31 11.147 -6.406 -16.746 207 HH11 ARG 31 HH11 ARG 31 12.500 -4.440 -14.212 208 HH12 ARG 31 HH12 ARG 31 13.868 -3.940 -15.151 209 HH21 ARG 31 HH21 ARG 31 12.944 -5.756 -17.992 210 HH22 ARG 31 HH22 ARG 31 14.118 -4.689 -17.301 211 H TYR 32 H TYR 32 8.571 -5.508 -11.112 212 HA TYR 32 HA TYR 32 8.352 -2.808 -12.272 213 HB2 TYR 32 HB2 TYR 32 6.931 -3.542 -10.162 214 HB3 TYR 32 HB3 TYR 32 8.435 -3.202 -9.313 215 HD1 TYR 32 HD1 TYR 32 6.028 -1.666 -11.710 216 HD2 TYR 32 HD2 TYR 32 8.921 -1.024 -8.656 217 HE1 TYR 32 HE1 TYR 32 5.466 0.729 -11.690 218 HE2 TYR 32 HE2 TYR 32 8.367 1.373 -8.627 219 HH TYR 32 HH TYR 32 5.860 2.693 -9.517 220 H PHE 33 H PHE 33 9.892 -1.238 -11.092 221 HA PHE 33 HA PHE 33 12.532 -2.062 -11.599 222 HB2 PHE 33 HB2 PHE 33 11.397 0.338 -11.409 223 HB3 PHE 33 HB3 PHE 33 12.038 0.242 -9.772 224 HD1 PHE 33 HD2 PHE 33 12.875 0.443 -13.326 225 HD2 PHE 33 HD1 PHE 33 14.411 0.279 -9.360 226 HE1 PHE 33 HE2 PHE 33 15.080 1.152 -14.155 227 HE2 PHE 33 HE1 PHE 33 16.619 0.989 -10.182 228 HZ PHE 33 HZ PHE 33 16.956 1.425 -12.583 229 H LEU 34 H LEU 34 10.900 -1.385 -8.504 230 HA LEU 34 HA LEU 34 12.974 -2.993 -7.167 231 HB2 LEU 34 HB2 LEU 34 11.411 -0.603 -6.254 232 HB3 LEU 34 HB3 LEU 34 12.165 -1.699 -5.099 233 HG LEU 34 HG LEU 34 13.875 -0.551 -7.243 234 HD11 LEU 34 HD11 LEU 34 14.225 1.337 -5.406 235 HD12 LEU 34 HD12 LEU 34 12.514 1.018 -5.130 236 HD13 LEU 34 HD13 LEU 34 13.071 1.509 -6.729 237 HD21 LEU 34 HD21 LEU 34 14.139 -1.726 -4.560 238 HD22 LEU 34 HD22 LEU 34 15.209 -0.363 -4.896 239 HD23 LEU 34 HD23 LEU 34 15.234 -1.784 -5.942 240 H GLY 35 H GLY 35 10.737 -4.191 -8.394 241 HA2 GLY 35 HA2 GLY 35 9.879 -6.047 -6.639 242 HA3 GLY 35 HA3 GLY 35 8.762 -4.722 -6.343 243 H THR 36 H THR 36 6.897 -5.497 -7.155 244 HA THR 36 HA THR 36 6.764 -5.864 -10.042 245 HB THR 36 HB THR 36 5.460 -7.917 -8.266 246 HG1 THR 36 HG1 THR 36 7.372 -8.775 -8.026 247 HG21 THR 36 HG21 THR 36 5.933 -9.091 -10.663 248 HG22 THR 36 HG22 THR 36 5.699 -7.414 -11.159 249 HG23 THR 36 HG23 THR 36 4.438 -8.250 -10.253 250 H CYS 37 H CYS 37 4.588 -5.745 -10.884 251 HA CYS 37 HA CYS 37 2.765 -4.320 -9.061 252 HB2 CYS 37 HB2 CYS 37 3.656 -2.909 -10.873 253 HB3 CYS 37 HB3 CYS 37 3.024 -4.044 -12.062 254 H CYS 38 H CYS 38 0.992 -5.398 -8.542 255 HA CYS 38 HA CYS 38 0.101 -7.597 -10.260 256 HB2 CYS 38 HB2 CYS 38 -0.548 -6.876 -7.398 257 HB3 CYS 38 HB3 CYS 38 -1.327 -8.192 -8.271 258 H THR 39 H THR 39 -1.812 -7.601 -11.301 259 HA THR 39 HA THR 39 -3.703 -5.416 -10.757 260 HB THR 39 HB THR 39 -4.107 -5.498 -13.343 261 HG1 THR 39 HG1 THR 39 -1.558 -6.670 -13.014 262 HG21 THR 39 HG21 THR 39 -1.684 -4.137 -12.157 263 HG22 THR 39 HG22 THR 39 -3.337 -3.524 -12.117 264 HG23 THR 39 HG23 THR 39 -2.491 -3.681 -13.657 265 HA PRO 40 HA PRO 40 -5.545 -4.785 -12.225 266 HB2 PRO 40 HB2 PRO 40 -8.032 -4.555 -11.162 267 HB3 PRO 40 HB3 PRO 40 -7.739 -5.137 -12.805 268 HG2 PRO 40 HG2 PRO 40 -8.284 -6.700 -10.310 269 HG3 PRO 40 HG3 PRO 40 -8.933 -6.937 -11.943 270 HD2 PRO 40 HD2 PRO 40 -6.907 -8.433 -10.950 271 HD3 PRO 40 HD3 PRO 40 -7.040 -8.031 -12.674 272 H ALA 41 H ALA 41 -6.217 -2.947 -10.731 273 HA ALA 41 HA ALA 41 -4.728 -3.156 -8.308 274 HB1 ALA 41 HB1 ALA 41 -6.437 -0.818 -8.473 275 HB2 ALA 41 HB2 ALA 41 -4.679 -0.931 -8.418 276 HB3 ALA 41 HB3 ALA 41 -5.524 -1.088 -9.958 277 H ASP 42 H ASP 42 -5.494 -4.236 -6.609 278 HA ASP 42 HA ASP 42 -8.133 -4.894 -6.082 279 HB2 ASP 42 HB2 ASP 42 -6.354 -6.050 -4.952 280 HB3 ASP 42 HB3 ASP 42 -5.801 -4.561 -4.189 Start of MODEL 6 1 H1 GLY 1 H GLY 1 3.403 0.590 -0.265 2 HA2 GLY 1 HA2 GLY 1 1.534 -0.796 -2.071 3 HA3 GLY 1 HA3 GLY 1 1.072 0.127 -0.648 4 H THR 2 H THR 2 3.043 0.785 -3.548 5 HA THR 2 HA THR 2 1.790 3.413 -3.751 6 HB THR 2 HB THR 2 3.876 2.496 -5.681 7 HG1 THR 2 HG1 THR 2 4.378 3.255 -2.977 8 HG21 THR 2 HG21 THR 2 4.502 5.004 -4.725 9 HG22 THR 2 HG22 THR 2 2.739 4.997 -4.707 10 HG23 THR 2 HG23 THR 2 3.607 4.658 -6.203 11 H ALA 3 H ALA 3 1.239 4.196 -5.983 12 HA ALA 3 HA ALA 3 -0.456 2.207 -7.271 13 HB1 ALA 3 HB1 ALA 3 -1.464 4.338 -6.707 14 HB2 ALA 3 HB2 ALA 3 -0.262 5.189 -7.677 15 HB3 ALA 3 HB3 ALA 3 -1.432 4.125 -8.458 16 H CYS 4 H CYS 4 0.070 1.209 -9.098 17 HA CYS 4 HA CYS 4 2.134 2.418 -10.819 18 HB2 CYS 4 HB2 CYS 4 2.753 0.014 -11.395 19 HB3 CYS 4 HB3 CYS 4 3.214 0.578 -9.792 20 H SER 5 H SER 5 2.096 1.387 -13.070 21 HA SER 5 HA SER 5 -0.642 0.749 -13.912 22 HB2 SER 5 HB2 SER 5 0.671 2.388 -15.896 23 HB3 SER 5 HB3 SER 5 -0.887 2.630 -15.107 24 HG SER 5 HG SER 5 0.080 3.788 -13.524 25 H CYS 6 H CYS 6 -0.810 -0.655 -15.616 26 HA CYS 6 HA CYS 6 1.714 -1.858 -16.523 27 HB2 CYS 6 HB2 CYS 6 -1.010 -2.936 -15.985 28 HB3 CYS 6 HB3 CYS 6 -0.073 -3.694 -17.267 29 H GLY 7 H GLY 7 0.264 0.552 -17.621 30 HA2 GLY 7 HA2 GLY 7 0.811 0.959 -20.048 31 HA3 GLY 7 HA3 GLY 7 -0.176 -0.460 -20.362 32 H ASN 8 H ASN 8 -2.463 -0.321 -19.510 33 HA ASN 8 HA ASN 8 -3.481 2.434 -19.696 34 HB2 ASN 8 HB2 ASN 8 -4.240 0.029 -21.291 35 HB3 ASN 8 HB3 ASN 8 -5.511 1.166 -20.852 36 HD21 ASN 8 HD21 ASN 8 -4.599 3.561 -21.127 37 HD22 ASN 8 HD22 ASN 8 -3.956 3.865 -22.703 38 H SER 9 H SER 9 -2.978 0.560 -17.431 39 HA SER 9 HA SER 9 -5.574 0.882 -16.163 40 HB2 SER 9 HB2 SER 9 -5.431 -1.454 -17.229 41 HB3 SER 9 HB3 SER 9 -4.227 -1.810 -15.991 42 HG SER 9 HG SER 9 -5.839 -2.161 -14.708 43 H LYS 10 H LYS 10 -5.440 0.346 -13.792 44 HA LYS 10 HA LYS 10 -2.805 1.166 -12.773 45 HB2 LYS 10 HB2 LYS 10 -5.517 1.428 -11.461 46 HB3 LYS 10 HB3 LYS 10 -3.995 2.024 -10.813 47 HG2 LYS 10 HG2 LYS 10 -3.860 3.742 -12.354 48 HG3 LYS 10 HG3 LYS 10 -4.944 2.942 -13.493 49 HD2 LYS 10 HD2 LYS 10 -6.840 3.570 -12.332 50 HD3 LYS 10 HD3 LYS 10 -5.970 3.754 -10.808 51 HE2 LYS 10 HE2 LYS 10 -6.511 5.940 -11.531 52 HE3 LYS 10 HE3 LYS 10 -4.792 5.723 -11.858 53 HZ1 LYS 10 HZ1 LYS 10 -6.568 4.993 -14.028 54 HZ2 LYS 10 HZ2 LYS 10 -5.110 5.852 -14.063 55 HZ3 LYS 10 HZ3 LYS 10 -6.547 6.641 -13.646 56 H GLY 11 H GLY 11 -1.964 0.182 -10.886 57 HA2 GLY 11 HA2 GLY 11 -3.297 -2.228 -9.912 58 HA3 GLY 11 HA3 GLY 11 -1.730 -2.440 -10.678 59 H ILE 12 H ILE 12 -1.546 -3.369 -8.347 60 HA ILE 12 HA ILE 12 -0.776 -1.242 -6.473 61 HB ILE 12 HB ILE 12 -1.228 -4.183 -5.950 62 HG12 ILE 12 HG12 ILE 12 -3.312 -3.019 -6.441 63 HG13 ILE 12 HG13 ILE 12 -3.230 -3.400 -4.723 64 HG21 ILE 12 HG21 ILE 12 -1.249 -3.235 -3.525 65 HG22 ILE 12 HG22 ILE 12 0.286 -3.582 -4.318 66 HG23 ILE 12 HG23 ILE 12 -0.306 -1.923 -4.230 67 HD11 ILE 12 HD11 ILE 12 -2.510 -1.082 -4.286 68 HD12 ILE 12 HD12 ILE 12 -2.724 -0.726 -6.000 69 HD13 ILE 12 HD13 ILE 12 -4.111 -1.191 -5.016 70 H TYR 13 H TYR 13 1.299 -0.827 -6.119 71 HA TYR 13 HA TYR 13 3.323 -2.510 -7.335 72 HB2 TYR 13 HB2 TYR 13 3.665 -0.187 -7.668 73 HB3 TYR 13 HB3 TYR 13 3.399 0.176 -5.966 74 HD1 TYR 13 HD1 TYR 13 5.553 -2.489 -7.403 75 HD2 TYR 13 HD2 TYR 13 5.401 1.241 -5.362 76 HE1 TYR 13 HE1 TYR 13 7.976 -2.617 -7.003 77 HE2 TYR 13 HE2 TYR 13 7.823 1.124 -4.957 78 HH TYR 13 HH TYR 13 9.658 -1.737 -5.596 79 H TRP 14 H TRP 14 4.105 -4.192 -6.266 80 HA TRP 14 HA TRP 14 4.196 -4.109 -3.333 81 HB2 TRP 14 HB2 TRP 14 4.448 -6.461 -5.223 82 HB3 TRP 14 HB3 TRP 14 4.458 -6.558 -3.464 83 HD1 TRP 14 HD1 TRP 14 2.086 -5.798 -6.394 84 HE1 TRP 14 HE1 TRP 14 -0.335 -6.123 -5.581 85 HE3 TRP 14 HE3 TRP 14 2.997 -6.593 -1.426 86 HZ2 TRP 14 HZ2 TRP 14 -1.681 -6.646 -3.156 87 HZ3 TRP 14 HZ3 TRP 14 1.088 -6.997 0.072 88 HH2 TRP 14 HH2 TRP 14 -1.202 -7.023 -0.777 89 H PHE 15 H PHE 15 6.068 -3.708 -2.375 90 HA PHE 15 HA PHE 15 8.503 -3.472 -3.802 91 HB2 PHE 15 HB2 PHE 15 7.741 -3.347 -0.905 92 HB3 PHE 15 HB3 PHE 15 9.441 -3.377 -1.363 93 HD1 PHE 15 HD1 PHE 15 10.168 -1.621 -3.136 94 HD2 PHE 15 HD2 PHE 15 6.629 -1.332 -0.790 95 HE1 PHE 15 HE1 PHE 15 10.104 0.805 -3.539 96 HE2 PHE 15 HE2 PHE 15 6.559 1.094 -1.190 97 HZ PHE 15 HZ PHE 15 8.298 2.166 -2.566 98 H TYR 16 H TYR 16 9.690 -5.100 -4.528 99 HA TYR 16 HA TYR 16 10.664 -7.147 -4.742 100 HB2 TYR 16 HB2 TYR 16 10.732 -6.897 -1.729 101 HB3 TYR 16 HB3 TYR 16 11.625 -8.103 -2.650 102 HD1 TYR 16 HD1 TYR 16 11.256 -4.451 -2.110 103 HD2 TYR 16 HD2 TYR 16 13.711 -7.585 -3.612 104 HE1 TYR 16 HE1 TYR 16 13.111 -2.859 -2.379 105 HE2 TYR 16 HE2 TYR 16 15.575 -6.002 -3.884 106 HH TYR 16 HH TYR 16 15.670 -3.013 -2.462 107 H ARG 17 H ARG 17 8.349 -7.717 -5.412 108 HA ARG 17 HA ARG 17 7.635 -10.165 -4.021 109 HB2 ARG 17 HB2 ARG 17 6.003 -7.720 -3.968 110 HB3 ARG 17 HB3 ARG 17 5.129 -9.163 -4.464 111 HG2 ARG 17 HG2 ARG 17 5.740 -10.288 -2.419 112 HG3 ARG 17 HG3 ARG 17 6.741 -8.918 -1.934 113 HD2 ARG 17 HD2 ARG 17 4.913 -7.570 -1.495 114 HD3 ARG 17 HD3 ARG 17 3.847 -8.502 -2.544 115 HE ARG 17 HE ARG 17 4.447 -9.017 0.226 116 HH11 ARG 17 HH11 ARG 17 3.290 -10.354 -2.772 117 HH12 ARG 17 HH12 ARG 17 2.412 -11.639 -2.011 118 HH21 ARG 17 HH21 ARG 17 3.295 -10.704 1.240 119 HH22 ARG 17 HH22 ARG 17 2.414 -11.837 0.271 120 HA PRO 18 HA PRO 18 7.482 -10.444 -8.638 121 HB2 PRO 18 HB2 PRO 18 8.800 -12.814 -8.761 122 HB3 PRO 18 HB3 PRO 18 9.631 -11.255 -8.708 123 HG2 PRO 18 HG2 PRO 18 9.108 -13.199 -6.492 124 HG3 PRO 18 HG3 PRO 18 10.585 -12.286 -6.855 125 HD2 PRO 18 HD2 PRO 18 8.840 -11.530 -4.926 126 HD3 PRO 18 HD3 PRO 18 9.785 -10.361 -5.870 127 H SER 19 H SER 19 6.291 -12.183 -5.987 128 HA SER 19 HA SER 19 4.547 -13.766 -7.758 129 HB2 SER 19 HB2 SER 19 5.357 -14.606 -4.973 130 HB3 SER 19 HB3 SER 19 4.547 -15.575 -6.204 131 HG SER 19 HG SER 19 7.053 -15.589 -5.779 132 H CYS 20 H CYS 20 2.711 -12.601 -7.772 133 HA CYS 20 HA CYS 20 1.724 -10.983 -5.738 134 HB2 CYS 20 HB2 CYS 20 0.175 -12.468 -7.871 135 HB3 CYS 20 HB3 CYS 20 -0.447 -11.129 -6.912 136 HA PRO 21 HA PRO 21 0.024 -13.654 -2.698 137 HB2 PRO 21 HB2 PRO 21 -2.118 -12.208 -1.867 138 HB3 PRO 21 HB3 PRO 21 -0.450 -11.767 -1.479 139 HG2 PRO 21 HG2 PRO 21 -2.249 -10.682 -3.611 140 HG3 PRO 21 HG3 PRO 21 -1.155 -9.811 -2.520 141 HD2 PRO 21 HD2 PRO 21 -0.510 -10.369 -5.089 142 HD3 PRO 21 HD3 PRO 21 0.703 -10.291 -3.795 143 H THR 22 H THR 22 -1.592 -15.173 -2.327 144 HA THR 22 HA THR 22 -3.292 -15.731 -4.615 145 HB THR 22 HB THR 22 -3.121 -17.392 -2.107 146 HG1 THR 22 HG1 THR 22 -1.293 -18.313 -2.869 147 HG21 THR 22 HG21 THR 22 -3.312 -19.082 -4.232 148 HG22 THR 22 HG22 THR 22 -4.237 -17.696 -4.810 149 HG23 THR 22 HG23 THR 22 -4.688 -18.489 -3.301 150 H ASP 23 H ASP 23 -3.565 -14.496 -1.398 151 HA ASP 23 HA ASP 23 -6.297 -15.052 -0.936 152 HB2 ASP 23 HB2 ASP 23 -4.527 -14.274 0.747 153 HB3 ASP 23 HB3 ASP 23 -4.838 -12.648 0.146 154 H ARG 24 H ARG 24 -4.671 -12.673 -2.849 155 HA ARG 24 HA ARG 24 -7.042 -11.007 -3.101 156 HB2 ARG 24 HB2 ARG 24 -4.340 -10.773 -4.441 157 HB3 ARG 24 HB3 ARG 24 -5.630 -9.578 -4.511 158 HG2 ARG 24 HG2 ARG 24 -4.608 -10.416 -1.847 159 HG3 ARG 24 HG3 ARG 24 -3.630 -9.327 -2.835 160 HD2 ARG 24 HD2 ARG 24 -4.938 -7.902 -1.520 161 HD3 ARG 24 HD3 ARG 24 -5.759 -7.934 -3.079 162 HE ARG 24 HE ARG 24 -7.561 -8.901 -2.062 163 HH11 ARG 24 HH11 ARG 24 -4.783 -9.231 0.010 164 HH12 ARG 24 HH12 ARG 24 -5.688 -9.876 1.340 165 HH21 ARG 24 HH21 ARG 24 -8.763 -9.749 -0.318 166 HH22 ARG 24 HH22 ARG 24 -7.952 -10.171 1.152 167 H GLY 25 H GLY 25 -7.330 -10.227 -5.551 168 HA2 GLY 25 HA2 GLY 25 -7.600 -12.692 -7.161 169 HA3 GLY 25 HA3 GLY 25 -8.825 -11.433 -7.122 170 H TYR 26 H TYR 26 -5.321 -11.709 -7.730 171 HA TYR 26 HA TYR 26 -5.530 -9.615 -9.748 172 HB2 TYR 26 HB2 TYR 26 -3.104 -11.065 -8.668 173 HB3 TYR 26 HB3 TYR 26 -3.067 -9.706 -9.786 174 HD1 TYR 26 HD2 TYR 26 -4.805 -7.734 -8.773 175 HD2 TYR 26 HD1 TYR 26 -2.388 -10.455 -6.569 176 HE1 TYR 26 HE2 TYR 26 -4.784 -6.169 -6.875 177 HE2 TYR 26 HE1 TYR 26 -2.361 -8.899 -4.665 178 HH TYR 26 HH TYR 26 -3.077 -5.772 -4.836 179 H THR 27 H THR 27 -5.193 -9.907 -11.905 180 HA THR 27 HA THR 27 -5.202 -12.684 -12.842 181 HB THR 27 HB THR 27 -5.992 -11.804 -14.981 182 HG1 THR 27 HG1 THR 27 -5.968 -9.243 -13.729 183 HG21 THR 27 HG21 THR 27 -7.418 -11.868 -12.606 184 HG22 THR 27 HG22 THR 27 -8.100 -11.785 -14.231 185 HG23 THR 27 HG23 THR 27 -7.837 -10.305 -13.308 186 H GLY 28 H GLY 28 -3.683 -9.560 -13.663 187 HA2 GLY 28 HA2 GLY 28 -1.357 -11.092 -14.651 188 HA3 GLY 28 HA3 GLY 28 -1.967 -9.680 -15.500 189 H SER 29 H SER 29 0.680 -9.903 -14.652 190 HA SER 29 HA SER 29 0.820 -7.601 -12.871 191 HB2 SER 29 HB2 SER 29 2.205 -8.568 -11.252 192 HB3 SER 29 HB3 SER 29 1.021 -9.839 -11.561 193 HG SER 29 HG SER 29 3.556 -10.140 -11.665 194 H CYS 30 H CYS 30 2.637 -6.331 -13.165 195 HA CYS 30 HA CYS 30 4.427 -7.158 -15.357 196 HB2 CYS 30 HB2 CYS 30 3.641 -4.310 -14.732 197 HB3 CYS 30 HB3 CYS 30 4.495 -4.904 -16.153 198 H ARG 31 H ARG 31 6.537 -7.171 -14.920 199 HA ARG 31 HA ARG 31 7.578 -6.864 -12.373 200 HB2 ARG 31 HB2 ARG 31 8.765 -6.974 -15.107 201 HB3 ARG 31 HB3 ARG 31 9.803 -6.493 -13.771 202 HG2 ARG 31 HG2 ARG 31 8.908 -8.633 -12.624 203 HG3 ARG 31 HG3 ARG 31 8.444 -9.107 -14.259 204 HD2 ARG 31 HD2 ARG 31 10.704 -8.968 -15.017 205 HD3 ARG 31 HD3 ARG 31 11.223 -8.230 -13.502 206 HE ARG 31 HE ARG 31 10.058 -10.820 -13.136 207 HH11 ARG 31 HH11 ARG 31 12.979 -9.120 -13.972 208 HH12 ARG 31 HH12 ARG 31 14.026 -10.406 -13.470 209 HH21 ARG 31 HH21 ARG 31 11.426 -12.519 -12.471 210 HH22 ARG 31 HH22 ARG 31 13.141 -12.340 -12.617 211 H TYR 32 H TYR 32 8.474 -5.226 -11.226 212 HA TYR 32 HA TYR 32 8.260 -2.537 -12.401 213 HB2 TYR 32 HB2 TYR 32 7.020 -3.341 -10.203 214 HB3 TYR 32 HB3 TYR 32 8.569 -2.959 -9.460 215 HD1 TYR 32 HD2 TYR 32 5.924 -1.487 -11.633 216 HD2 TYR 32 HD1 TYR 32 9.048 -0.766 -8.837 217 HE1 TYR 32 HE2 TYR 32 5.288 0.886 -11.544 218 HE2 TYR 32 HE1 TYR 32 8.420 1.610 -8.739 219 HH TYR 32 HH TYR 32 5.911 2.934 -10.839 220 H PHE 33 H PHE 33 9.834 -0.933 -11.332 221 HA PHE 33 HA PHE 33 12.431 -1.562 -12.086 222 HB2 PHE 33 HB2 PHE 33 11.274 0.738 -11.556 223 HB3 PHE 33 HB3 PHE 33 11.951 0.482 -9.952 224 HD1 PHE 33 HD2 PHE 33 14.385 0.386 -9.635 225 HD2 PHE 33 HD1 PHE 33 12.653 1.309 -13.412 226 HE1 PHE 33 HE2 PHE 33 16.545 1.278 -10.404 227 HE2 PHE 33 HE1 PHE 33 14.811 2.201 -14.187 228 HZ PHE 33 HZ PHE 33 16.761 2.187 -12.682 229 H LEU 34 H LEU 34 11.118 -1.326 -8.781 230 HA LEU 34 HA LEU 34 13.463 -2.793 -7.802 231 HB2 LEU 34 HB2 LEU 34 11.534 -0.888 -6.586 232 HB3 LEU 34 HB3 LEU 34 12.251 -2.114 -5.543 233 HG LEU 34 HG LEU 34 14.054 -0.436 -7.220 234 HD11 LEU 34 HD11 LEU 34 14.033 1.385 -5.741 235 HD12 LEU 34 HD12 LEU 34 13.048 0.523 -4.559 236 HD13 LEU 34 HD13 LEU 34 12.334 1.052 -6.083 237 HD21 LEU 34 HD21 LEU 34 14.173 -1.959 -4.657 238 HD22 LEU 34 HD22 LEU 34 15.305 -0.636 -4.937 239 HD23 LEU 34 HD23 LEU 34 15.258 -2.008 -6.046 240 H GLY 35 H GLY 35 9.913 -2.765 -7.562 241 HA2 GLY 35 HA2 GLY 35 10.053 -5.593 -6.717 242 HA3 GLY 35 HA3 GLY 35 8.770 -4.490 -6.243 243 H THR 36 H THR 36 6.963 -5.253 -7.135 244 HA THR 36 HA THR 36 6.871 -5.496 -10.045 245 HB THR 36 HB THR 36 5.556 -7.631 -8.389 246 HG1 THR 36 HG1 THR 36 7.437 -8.529 -8.073 247 HG21 THR 36 HG21 THR 36 5.908 -7.014 -11.222 248 HG22 THR 36 HG22 THR 36 4.727 -8.057 -10.430 249 HG23 THR 36 HG23 THR 36 6.333 -8.676 -10.812 250 H CYS 37 H CYS 37 4.668 -5.500 -10.894 251 HA CYS 37 HA CYS 37 2.805 -4.121 -9.076 252 HB2 CYS 37 HB2 CYS 37 3.676 -2.723 -10.937 253 HB3 CYS 37 HB3 CYS 37 2.988 -3.867 -12.085 254 H CYS 38 H CYS 38 1.079 -5.264 -8.539 255 HA CYS 38 HA CYS 38 0.224 -7.461 -10.286 256 HB2 CYS 38 HB2 CYS 38 -0.373 -6.894 -7.376 257 HB3 CYS 38 HB3 CYS 38 -1.037 -8.250 -8.283 258 H THR 39 H THR 39 -1.601 -7.328 -11.411 259 HA THR 39 HA THR 39 -3.579 -5.282 -10.638 260 HB THR 39 HB THR 39 -4.100 -5.393 -13.227 261 HG1 THR 39 HG1 THR 39 -1.391 -6.225 -13.003 262 HG21 THR 39 HG21 THR 39 -2.838 -3.395 -13.532 263 HG22 THR 39 HG22 THR 39 -1.695 -3.850 -12.269 264 HG23 THR 39 HG23 THR 39 -3.352 -3.422 -11.846 265 HA PRO 40 HA PRO 40 -5.498 -4.675 -12.041 266 HB2 PRO 40 HB2 PRO 40 -7.945 -4.501 -10.877 267 HB3 PRO 40 HB3 PRO 40 -7.707 -5.072 -12.534 268 HG2 PRO 40 HG2 PRO 40 -8.118 -6.655 -10.026 269 HG3 PRO 40 HG3 PRO 40 -8.828 -6.899 -11.633 270 HD2 PRO 40 HD2 PRO 40 -6.733 -8.356 -10.729 271 HD3 PRO 40 HD3 PRO 40 -6.944 -7.949 -12.443 272 H ALA 41 H ALA 41 -6.181 -2.864 -10.501 273 HA ALA 41 HA ALA 41 -4.582 -3.051 -8.141 274 HB1 ALA 41 HB1 ALA 41 -4.830 -0.775 -7.951 275 HB2 ALA 41 HB2 ALA 41 -5.099 -0.999 -9.680 276 HB3 ALA 41 HB3 ALA 41 -6.472 -0.789 -8.594 277 H ASP 42 H ASP 42 -5.259 -4.143 -6.415 278 HA ASP 42 HA ASP 42 -8.086 -3.906 -5.623 279 HB2 ASP 42 HB2 ASP 42 -7.189 -6.209 -6.195 280 HB3 ASP 42 HB3 ASP 42 -6.171 -6.077 -4.764 Start of MODEL 7 1 H1 GLY 1 H GLY 1 0.406 -1.473 -0.887 2 HA2 GLY 1 HA2 GLY 1 1.753 0.275 -0.239 3 HA3 GLY 1 HA3 GLY 1 2.846 -0.347 -1.467 4 H THR 2 H THR 2 2.817 0.568 -3.558 5 HA THR 2 HA THR 2 1.690 3.284 -3.606 6 HB THR 2 HB THR 2 3.748 2.420 -5.586 7 HG1 THR 2 HG1 THR 2 4.376 1.772 -3.342 8 HG21 THR 2 HG21 THR 2 3.021 4.621 -5.909 9 HG22 THR 2 HG22 THR 2 4.521 4.807 -5.001 10 HG23 THR 2 HG23 THR 2 2.968 4.955 -4.179 11 H ALA 3 H ALA 3 1.138 4.098 -5.837 12 HA ALA 3 HA ALA 3 -0.553 2.110 -7.145 13 HB1 ALA 3 HB1 ALA 3 -1.604 4.032 -8.249 14 HB2 ALA 3 HB2 ALA 3 -1.602 4.201 -6.494 15 HB3 ALA 3 HB3 ALA 3 -0.444 5.106 -7.468 16 H CYS 4 H CYS 4 0.017 1.156 -8.980 17 HA CYS 4 HA CYS 4 2.004 2.489 -10.702 18 HB2 CYS 4 HB2 CYS 4 2.690 0.121 -11.351 19 HB3 CYS 4 HB3 CYS 4 3.160 0.662 -9.744 20 H SER 5 H SER 5 1.973 1.513 -12.979 21 HA SER 5 HA SER 5 -0.766 0.839 -13.803 22 HB2 SER 5 HB2 SER 5 0.543 2.518 -15.768 23 HB3 SER 5 HB3 SER 5 -1.032 2.717 -15.002 24 HG SER 5 HG SER 5 0.255 4.454 -14.440 25 H CYS 6 H CYS 6 -0.941 -0.514 -15.559 26 HA CYS 6 HA CYS 6 1.589 -1.687 -16.501 27 HB2 CYS 6 HB2 CYS 6 -1.114 -2.823 -15.938 28 HB3 CYS 6 HB3 CYS 6 -0.148 -3.565 -17.210 29 H GLY 7 H GLY 7 0.113 0.705 -17.560 30 HA2 GLY 7 HA2 GLY 7 0.583 1.135 -19.991 31 HA3 GLY 7 HA3 GLY 7 -0.383 -0.301 -20.293 32 H ASN 8 H ASN 8 -2.645 -0.187 -19.260 33 HA ASN 8 HA ASN 8 -3.723 2.539 -19.395 34 HB2 ASN 8 HB2 ASN 8 -5.711 1.453 -20.662 35 HB3 ASN 8 HB3 ASN 8 -4.247 1.837 -21.561 36 HD21 ASN 8 HD21 ASN 8 -6.178 -0.701 -20.176 37 HD22 ASN 8 HD22 ASN 8 -5.436 -2.006 -21.031 38 H SER 9 H SER 9 -3.180 0.596 -17.221 39 HA SER 9 HA SER 9 -5.792 0.770 -15.957 40 HB2 SER 9 HB2 SER 9 -5.603 -1.503 -17.108 41 HB3 SER 9 HB3 SER 9 -4.340 -1.877 -15.935 42 HG SER 9 HG SER 9 -6.882 -2.193 -15.589 43 H LYS 10 H LYS 10 -5.698 0.410 -13.634 44 HA LYS 10 HA LYS 10 -3.107 1.242 -12.559 45 HB2 LYS 10 HB2 LYS 10 -5.928 1.376 -11.528 46 HB3 LYS 10 HB3 LYS 10 -4.559 1.598 -10.447 47 HG2 LYS 10 HG2 LYS 10 -5.126 3.250 -12.901 48 HG3 LYS 10 HG3 LYS 10 -5.475 3.725 -11.237 49 HD2 LYS 10 HD2 LYS 10 -2.996 3.373 -10.782 50 HD3 LYS 10 HD3 LYS 10 -2.793 3.296 -12.533 51 HE2 LYS 10 HE2 LYS 10 -2.531 5.518 -12.391 52 HE3 LYS 10 HE3 LYS 10 -4.289 5.553 -12.255 53 HZ1 LYS 10 HZ1 LYS 10 -4.205 5.996 -10.045 54 HZ2 LYS 10 HZ2 LYS 10 -2.744 6.719 -10.496 55 HZ3 LYS 10 HZ3 LYS 10 -2.745 5.176 -9.802 56 H GLY 11 H GLY 11 -2.082 0.177 -10.862 57 HA2 GLY 11 HA2 GLY 11 -3.226 -2.371 -9.967 58 HA3 GLY 11 HA3 GLY 11 -1.659 -2.404 -10.762 59 H ILE 12 H ILE 12 -1.588 -3.444 -8.377 60 HA ILE 12 HA ILE 12 -0.821 -1.349 -6.471 61 HB ILE 12 HB ILE 12 -1.254 -4.302 -6.010 62 HG12 ILE 12 HG12 ILE 12 -3.344 -3.153 -6.486 63 HG13 ILE 12 HG13 ILE 12 -3.267 -3.550 -4.773 64 HG21 ILE 12 HG21 ILE 12 0.114 -3.875 -4.268 65 HG22 ILE 12 HG22 ILE 12 -0.168 -2.137 -4.333 66 HG23 ILE 12 HG23 ILE 12 -1.351 -3.194 -3.562 67 HD11 ILE 12 HD11 ILE 12 -2.541 -1.223 -4.327 68 HD12 ILE 12 HD12 ILE 12 -2.803 -0.862 -6.034 69 HD13 ILE 12 HD13 ILE 12 -4.158 -1.351 -5.019 70 H TYR 13 H TYR 13 1.248 -0.922 -6.093 71 HA TYR 13 HA TYR 13 3.295 -2.570 -7.321 72 HB2 TYR 13 HB2 TYR 13 3.626 -0.244 -7.625 73 HB3 TYR 13 HB3 TYR 13 3.333 0.101 -5.925 74 HD1 TYR 13 HD1 TYR 13 5.534 -2.524 -7.367 75 HD2 TYR 13 HD2 TYR 13 5.314 1.173 -5.271 76 HE1 TYR 13 HE1 TYR 13 7.953 -2.632 -6.935 77 HE2 TYR 13 HE2 TYR 13 7.731 1.075 -4.835 78 HH TYR 13 HH TYR 13 9.726 0.029 -5.741 79 H TRP 14 H TRP 14 4.094 -4.254 -6.267 80 HA TRP 14 HA TRP 14 4.175 -4.197 -3.332 81 HB2 TRP 14 HB2 TRP 14 4.420 -6.540 -5.233 82 HB3 TRP 14 HB3 TRP 14 4.424 -6.644 -3.474 83 HD1 TRP 14 HD1 TRP 14 2.067 -5.892 -6.416 84 HE1 TRP 14 HE1 TRP 14 -0.359 -6.200 -5.612 85 HE3 TRP 14 HE3 TRP 14 2.951 -6.642 -1.437 86 HZ2 TRP 14 HZ2 TRP 14 -1.718 -6.694 -3.188 87 HZ3 TRP 14 HZ3 TRP 14 1.032 -7.025 0.057 88 HH2 TRP 14 HH2 TRP 14 -1.253 -7.049 -0.802 89 H PHE 15 H PHE 15 6.050 -3.844 -2.359 90 HA PHE 15 HA PHE 15 8.484 -3.584 -3.788 91 HB2 PHE 15 HB2 PHE 15 7.720 -3.507 -0.890 92 HB3 PHE 15 HB3 PHE 15 9.422 -3.550 -1.342 93 HD1 PHE 15 HD2 PHE 15 10.166 -1.774 -3.099 94 HD2 PHE 15 HD1 PHE 15 6.643 -1.478 -0.728 95 HE1 PHE 15 HE2 PHE 15 10.132 0.660 -3.459 96 HE2 PHE 15 HE1 PHE 15 6.604 0.955 -1.085 97 HZ PHE 15 HZ PHE 15 8.350 2.028 -2.451 98 H TYR 16 H TYR 16 9.653 -5.207 -4.554 99 HA TYR 16 HA TYR 16 10.606 -7.258 -4.817 100 HB2 TYR 16 HB2 TYR 16 10.737 -7.035 -1.804 101 HB3 TYR 16 HB3 TYR 16 11.598 -8.244 -2.750 102 HD1 TYR 16 HD1 TYR 16 11.272 -4.589 -2.199 103 HD2 TYR 16 HD2 TYR 16 13.676 -7.745 -3.735 104 HE1 TYR 16 HE1 TYR 16 13.137 -3.014 -2.498 105 HE2 TYR 16 HE2 TYR 16 15.549 -6.180 -4.038 106 HH TYR 16 HH TYR 16 15.945 -3.488 -2.615 107 H ARG 17 H ARG 17 8.276 -7.811 -5.446 108 HA ARG 17 HA ARG 17 7.580 -10.275 -4.072 109 HB2 ARG 17 HB2 ARG 17 5.965 -7.824 -3.939 110 HB3 ARG 17 HB3 ARG 17 5.070 -9.249 -4.449 111 HG2 ARG 17 HG2 ARG 17 5.238 -10.252 -2.426 112 HG3 ARG 17 HG3 ARG 17 6.821 -9.548 -2.085 113 HD2 ARG 17 HD2 ARG 17 5.701 -7.355 -1.740 114 HD3 ARG 17 HD3 ARG 17 4.146 -8.163 -1.933 115 HE ARG 17 HE ARG 17 5.325 -9.583 0.036 116 HH11 ARG 17 HH11 ARG 17 4.786 -6.177 -0.445 117 HH12 ARG 17 HH12 ARG 17 4.671 -5.824 1.247 118 HH21 ARG 17 HH21 ARG 17 5.175 -9.130 2.267 119 HH22 ARG 17 HH22 ARG 17 4.893 -7.503 2.789 120 HA PRO 18 HA PRO 18 7.322 -10.490 -8.688 121 HB2 PRO 18 HB2 PRO 18 8.623 -12.865 -8.873 122 HB3 PRO 18 HB3 PRO 18 9.464 -11.311 -8.817 123 HG2 PRO 18 HG2 PRO 18 8.980 -13.282 -6.617 124 HG3 PRO 18 HG3 PRO 18 10.453 -12.372 -6.999 125 HD2 PRO 18 HD2 PRO 18 8.755 -11.633 -5.022 126 HD3 PRO 18 HD3 PRO 18 9.686 -10.457 -5.971 127 H SER 19 H SER 19 6.184 -12.263 -6.034 128 HA SER 19 HA SER 19 4.409 -13.833 -7.787 129 HB2 SER 19 HB2 SER 19 4.290 -15.307 -5.577 130 HB3 SER 19 HB3 SER 19 5.563 -15.546 -6.773 131 HG SER 19 HG SER 19 6.998 -14.665 -5.453 132 H CYS 20 H CYS 20 2.584 -12.650 -7.804 133 HA CYS 20 HA CYS 20 1.616 -11.037 -5.742 134 HB2 CYS 20 HB2 CYS 20 0.050 -12.439 -7.919 135 HB3 CYS 20 HB3 CYS 20 -0.535 -11.093 -6.946 136 HA PRO 21 HA PRO 21 -0.174 -13.750 -2.792 137 HB2 PRO 21 HB2 PRO 21 -2.296 -12.283 -1.949 138 HB3 PRO 21 HB3 PRO 21 -0.626 -11.885 -1.529 139 HG2 PRO 21 HG2 PRO 21 -2.377 -10.710 -3.655 140 HG3 PRO 21 HG3 PRO 21 -1.280 -9.889 -2.529 141 HD2 PRO 21 HD2 PRO 21 -0.614 -10.395 -5.104 142 HD3 PRO 21 HD3 PRO 21 0.585 -10.375 -3.794 143 H THR 22 H THR 22 -1.799 -15.265 -2.503 144 HA THR 22 HA THR 22 -3.483 -15.730 -4.817 145 HB THR 22 HB THR 22 -4.067 -17.865 -3.670 146 HG1 THR 22 HG1 THR 22 -2.047 -17.261 -1.784 147 HG21 THR 22 HG21 THR 22 -2.156 -18.899 -4.370 148 HG22 THR 22 HG22 THR 22 -1.102 -17.744 -3.556 149 HG23 THR 22 HG23 THR 22 -1.875 -17.310 -5.080 150 H ASP 23 H ASP 23 -3.786 -14.527 -1.595 151 HA ASP 23 HA ASP 23 -6.535 -15.044 -1.183 152 HB2 ASP 23 HB2 ASP 23 -4.780 -12.857 -0.045 153 HB3 ASP 23 HB3 ASP 23 -6.385 -13.279 0.549 154 H ARG 24 H ARG 24 -4.835 -12.674 -3.039 155 HA ARG 24 HA ARG 24 -7.168 -10.956 -3.304 156 HB2 ARG 24 HB2 ARG 24 -4.448 -10.760 -4.610 157 HB3 ARG 24 HB3 ARG 24 -5.709 -9.537 -4.670 158 HG2 ARG 24 HG2 ARG 24 -4.739 -10.440 -2.009 159 HG3 ARG 24 HG3 ARG 24 -3.717 -9.370 -2.969 160 HD2 ARG 24 HD2 ARG 24 -4.988 -7.912 -1.664 161 HD3 ARG 24 HD3 ARG 24 -5.812 -7.916 -3.223 162 HE ARG 24 HE ARG 24 -6.980 -9.883 -1.624 163 HH11 ARG 24 HH11 ARG 24 -6.656 -6.418 -1.725 164 HH12 ARG 24 HH12 ARG 24 -8.157 -6.123 -0.913 165 HH21 ARG 24 HH21 ARG 24 -8.959 -9.509 -0.555 166 HH22 ARG 24 HH22 ARG 24 -9.467 -7.881 -0.247 167 H GLY 25 H GLY 25 -7.490 -10.158 -5.708 168 HA2 GLY 25 HA2 GLY 25 -7.793 -12.596 -7.350 169 HA3 GLY 25 HA3 GLY 25 -8.951 -11.274 -7.340 170 H TYR 26 H TYR 26 -5.447 -11.712 -7.853 171 HA TYR 26 HA TYR 26 -5.521 -9.637 -9.903 172 HB2 TYR 26 HB2 TYR 26 -3.173 -11.143 -8.730 173 HB3 TYR 26 HB3 TYR 26 -3.065 -9.791 -9.852 174 HD1 TYR 26 HD1 TYR 26 -4.808 -7.782 -8.891 175 HD2 TYR 26 HD2 TYR 26 -2.480 -10.527 -6.623 176 HE1 TYR 26 HE1 TYR 26 -4.806 -6.209 -6.999 177 HE2 TYR 26 HE2 TYR 26 -2.472 -8.963 -4.725 178 HH TYR 26 HH TYR 26 -4.482 -6.652 -4.238 179 H THR 27 H THR 27 -5.054 -9.970 -12.041 180 HA THR 27 HA THR 27 -5.080 -12.772 -12.925 181 HB THR 27 HB THR 27 -5.828 -11.901 -15.112 182 HG1 THR 27 HG1 THR 27 -6.501 -9.634 -15.107 183 HG21 THR 27 HG21 THR 27 -7.564 -10.805 -12.904 184 HG22 THR 27 HG22 THR 27 -7.432 -12.526 -13.269 185 HG23 THR 27 HG23 THR 27 -8.073 -11.414 -14.478 186 H GLY 28 H GLY 28 -3.593 -9.636 -13.745 187 HA2 GLY 28 HA2 GLY 28 -1.255 -11.145 -14.743 188 HA3 GLY 28 HA3 GLY 28 -1.869 -9.721 -15.572 189 H SER 29 H SER 29 0.786 -10.044 -14.630 190 HA SER 29 HA SER 29 0.899 -7.761 -12.800 191 HB2 SER 29 HB2 SER 29 2.473 -8.784 -11.332 192 HB3 SER 29 HB3 SER 29 1.157 -9.944 -11.520 193 HG SER 29 HG SER 29 3.753 -10.255 -12.077 194 H CYS 30 H CYS 30 2.598 -6.385 -13.141 195 HA CYS 30 HA CYS 30 4.386 -7.065 -15.385 196 HB2 CYS 30 HB2 CYS 30 3.537 -4.277 -14.594 197 HB3 CYS 30 HB3 CYS 30 4.368 -4.773 -16.065 198 H ARG 31 H ARG 31 6.498 -7.074 -14.982 199 HA ARG 31 HA ARG 31 7.583 -6.825 -12.442 200 HB2 ARG 31 HB2 ARG 31 8.753 -6.804 -15.197 201 HB3 ARG 31 HB3 ARG 31 9.788 -6.455 -13.818 202 HG2 ARG 31 HG2 ARG 31 8.715 -8.671 -12.884 203 HG3 ARG 31 HG3 ARG 31 8.454 -8.989 -14.600 204 HD2 ARG 31 HD2 ARG 31 10.908 -8.440 -14.926 205 HD3 ARG 31 HD3 ARG 31 11.056 -8.509 -13.170 206 HE ARG 31 HE ARG 31 9.824 -10.863 -14.027 207 HH11 ARG 31 HH11 ARG 31 12.897 -9.250 -14.285 208 HH12 ARG 31 HH12 ARG 31 13.804 -10.719 -14.433 209 HH21 ARG 31 HH21 ARG 31 11.004 -12.804 -14.221 210 HH22 ARG 31 HH22 ARG 31 12.726 -12.741 -14.398 211 H TYR 32 H TYR 32 8.425 -5.197 -11.258 212 HA TYR 32 HA TYR 32 8.210 -2.491 -12.388 213 HB2 TYR 32 HB2 TYR 32 6.956 -3.328 -10.218 214 HB3 TYR 32 HB3 TYR 32 8.503 -2.979 -9.454 215 HD1 TYR 32 HD1 TYR 32 5.912 -1.422 -11.635 216 HD2 TYR 32 HD2 TYR 32 8.976 -0.814 -8.746 217 HE1 TYR 32 HE1 TYR 32 5.296 0.955 -11.490 218 HE2 TYR 32 HE2 TYR 32 8.367 1.564 -8.592 219 HH TYR 32 HH TYR 32 6.081 3.022 -10.786 220 H PHE 33 H PHE 33 9.771 -0.898 -11.280 221 HA PHE 33 HA PHE 33 12.375 -1.498 -12.037 222 HB2 PHE 33 HB2 PHE 33 11.222 0.787 -11.491 223 HB3 PHE 33 HB3 PHE 33 11.846 0.504 -9.869 224 HD1 PHE 33 HD1 PHE 33 12.965 0.557 -13.422 225 HD2 PHE 33 HD2 PHE 33 13.963 1.240 -9.341 226 HE1 PHE 33 HE1 PHE 33 15.147 1.463 -14.110 227 HE2 PHE 33 HE2 PHE 33 16.145 2.148 -10.022 228 HZ PHE 33 HZ PHE 33 16.740 2.261 -12.410 229 H LEU 34 H LEU 34 11.069 -1.303 -8.725 230 HA LEU 34 HA LEU 34 13.410 -2.790 -7.771 231 HB2 LEU 34 HB2 LEU 34 11.461 -0.929 -6.512 232 HB3 LEU 34 HB3 LEU 34 12.223 -2.154 -5.499 233 HG LEU 34 HG LEU 34 13.951 -0.398 -7.179 234 HD11 LEU 34 HD11 LEU 34 12.883 0.449 -4.496 235 HD12 LEU 34 HD12 LEU 34 12.284 1.073 -6.032 236 HD13 LEU 34 HD13 LEU 34 13.962 1.349 -5.562 237 HD21 LEU 34 HD21 LEU 34 15.348 -1.790 -6.090 238 HD22 LEU 34 HD22 LEU 34 14.180 -2.138 -4.814 239 HD23 LEU 34 HD23 LEU 34 15.123 -0.647 -4.765 240 H GLY 35 H GLY 35 9.860 -2.778 -7.548 241 HA2 GLY 35 HA2 GLY 35 10.006 -5.620 -6.748 242 HA3 GLY 35 HA3 GLY 35 8.722 -4.528 -6.251 243 H THR 36 H THR 36 6.918 -5.290 -7.153 244 HA THR 36 HA THR 36 6.833 -5.495 -10.069 245 HB THR 36 HB THR 36 5.449 -7.610 -8.450 246 HG1 THR 36 HG1 THR 36 7.288 -8.583 -8.097 247 HG21 THR 36 HG21 THR 36 6.264 -8.699 -10.821 248 HG22 THR 36 HG22 THR 36 5.963 -7.021 -11.275 249 HG23 THR 36 HG23 THR 36 4.682 -7.977 -10.531 250 H CYS 37 H CYS 37 4.603 -5.531 -10.911 251 HA CYS 37 HA CYS 37 2.760 -4.110 -9.101 252 HB2 CYS 37 HB2 CYS 37 3.673 -2.712 -10.949 253 HB3 CYS 37 HB3 CYS 37 2.955 -3.829 -12.106 254 H CYS 38 H CYS 38 1.145 -5.392 -8.512 255 HA CYS 38 HA CYS 38 0.245 -7.516 -10.305 256 HB2 CYS 38 HB2 CYS 38 -0.428 -6.940 -7.412 257 HB3 CYS 38 HB3 CYS 38 -1.032 -8.315 -8.330 258 H THR 39 H THR 39 -1.539 -7.348 -11.485 259 HA THR 39 HA THR 39 -3.530 -5.305 -10.738 260 HB THR 39 HB THR 39 -3.999 -5.410 -13.340 261 HG1 THR 39 HG1 THR 39 -1.291 -6.235 -13.061 262 HG21 THR 39 HG21 THR 39 -2.598 -3.446 -13.632 263 HG22 THR 39 HG22 THR 39 -1.665 -3.870 -12.196 264 HG23 THR 39 HG23 THR 39 -3.361 -3.408 -12.043 265 HA PRO 40 HA PRO 40 -5.418 -4.686 -12.179 266 HB2 PRO 40 HB2 PRO 40 -7.887 -4.506 -11.065 267 HB3 PRO 40 HB3 PRO 40 -7.618 -5.071 -12.717 268 HG2 PRO 40 HG2 PRO 40 -8.087 -6.661 -10.224 269 HG3 PRO 40 HG3 PRO 40 -8.764 -6.897 -11.846 270 HD2 PRO 40 HD2 PRO 40 -6.694 -8.366 -10.903 271 HD3 PRO 40 HD3 PRO 40 -6.868 -7.953 -12.621 272 H ALA 41 H ALA 41 -6.091 -2.870 -10.658 273 HA ALA 41 HA ALA 41 -4.568 -3.097 -8.248 274 HB1 ALA 41 HB1 ALA 41 -5.780 -0.970 -9.809 275 HB2 ALA 41 HB2 ALA 41 -5.950 -0.714 -8.072 276 HB3 ALA 41 HB3 ALA 41 -4.349 -0.943 -8.777 277 H ASP 42 H ASP 42 -5.359 -4.222 -6.584 278 HA ASP 42 HA ASP 42 -8.170 -3.771 -5.817 279 HB2 ASP 42 HB2 ASP 42 -6.433 -6.222 -5.546 280 HB3 ASP 42 HB3 ASP 42 -7.931 -6.023 -4.641 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.655 -0.041 0.604 2 HA2 GLY 1 HA2 GLY 1 2.398 -0.156 -0.925 3 HA3 GLY 1 HA3 GLY 1 1.355 -1.077 -1.998 4 H THR 2 H THR 2 2.796 0.580 -3.335 5 HA THR 2 HA THR 2 1.492 3.178 -3.551 6 HB THR 2 HB THR 2 3.680 2.294 -5.393 7 HG1 THR 2 HG1 THR 2 5.052 3.273 -3.586 8 HG21 THR 2 HG21 THR 2 3.246 4.429 -5.988 9 HG22 THR 2 HG22 THR 2 4.238 4.821 -4.584 10 HG23 THR 2 HG23 THR 2 2.481 4.810 -4.447 11 H ALA 3 H ALA 3 0.940 3.995 -5.744 12 HA ALA 3 HA ALA 3 -0.620 1.978 -7.157 13 HB1 ALA 3 HB1 ALA 3 -1.734 4.046 -6.513 14 HB2 ALA 3 HB2 ALA 3 -0.576 4.979 -7.462 15 HB3 ALA 3 HB3 ALA 3 -1.691 3.875 -8.268 16 H CYS 4 H CYS 4 0.060 1.054 -8.968 17 HA CYS 4 HA CYS 4 2.063 2.465 -10.605 18 HB2 CYS 4 HB2 CYS 4 2.865 0.132 -11.238 19 HB3 CYS 4 HB3 CYS 4 3.242 0.671 -9.604 20 H SER 5 H SER 5 2.154 1.502 -12.887 21 HA SER 5 HA SER 5 -0.537 0.766 -13.815 22 HB2 SER 5 HB2 SER 5 0.487 2.321 -15.871 23 HB3 SER 5 HB3 SER 5 -0.740 2.823 -14.707 24 HG SER 5 HG SER 5 2.063 3.140 -14.384 25 H CYS 6 H CYS 6 -0.625 -0.590 -15.582 26 HA CYS 6 HA CYS 6 1.930 -1.833 -16.321 27 HB2 CYS 6 HB2 CYS 6 -0.872 -2.821 -16.091 28 HB3 CYS 6 HB3 CYS 6 0.170 -3.579 -17.290 29 H GLY 7 H GLY 7 -0.513 0.191 -17.518 30 HA2 GLY 7 HA2 GLY 7 0.660 0.843 -19.892 31 HA3 GLY 7 HA3 GLY 7 -0.312 -0.567 -20.286 32 H ASN 8 H ASN 8 -2.634 -0.377 -19.267 33 HA ASN 8 HA ASN 8 -3.626 2.366 -19.624 34 HB2 ASN 8 HB2 ASN 8 -4.567 -0.125 -21.034 35 HB3 ASN 8 HB3 ASN 8 -5.624 1.270 -20.830 36 HD21 ASN 8 HD21 ASN 8 -5.436 2.942 -22.186 37 HD22 ASN 8 HD22 ASN 8 -4.229 3.086 -23.414 38 H SER 9 H SER 9 -3.171 0.496 -17.314 39 HA SER 9 HA SER 9 -5.754 0.937 -16.057 40 HB2 SER 9 HB2 SER 9 -5.689 -1.420 -17.098 41 HB3 SER 9 HB3 SER 9 -4.522 -1.805 -15.834 42 HG SER 9 HG SER 9 -6.799 -2.238 -15.344 43 H LYS 10 H LYS 10 -5.626 0.313 -13.669 44 HA LYS 10 HA LYS 10 -3.008 1.178 -12.653 45 HB2 LYS 10 HB2 LYS 10 -5.740 1.281 -11.360 46 HB3 LYS 10 HB3 LYS 10 -4.247 1.819 -10.602 47 HG2 LYS 10 HG2 LYS 10 -4.054 3.662 -11.989 48 HG3 LYS 10 HG3 LYS 10 -5.105 2.967 -13.226 49 HD2 LYS 10 HD2 LYS 10 -6.946 3.106 -11.427 50 HD3 LYS 10 HD3 LYS 10 -5.847 4.212 -10.598 51 HE2 LYS 10 HE2 LYS 10 -6.855 4.540 -13.423 52 HE3 LYS 10 HE3 LYS 10 -7.484 5.390 -12.012 53 HZ1 LYS 10 HZ1 LYS 10 -5.997 6.892 -12.892 54 HZ2 LYS 10 HZ2 LYS 10 -4.884 5.706 -13.358 55 HZ3 LYS 10 HZ3 LYS 10 -5.043 6.123 -11.726 56 H GLY 11 H GLY 11 -1.983 0.084 -10.984 57 HA2 GLY 11 HA2 GLY 11 -3.209 -2.411 -10.043 58 HA3 GLY 11 HA3 GLY 11 -1.650 -2.500 -10.847 59 H ILE 12 H ILE 12 -1.767 -3.491 -8.370 60 HA ILE 12 HA ILE 12 -0.914 -1.426 -6.493 61 HB ILE 12 HB ILE 12 -1.298 -4.392 -6.071 62 HG12 ILE 12 HG12 ILE 12 -3.400 -3.223 -6.539 63 HG13 ILE 12 HG13 ILE 12 -3.330 -3.724 -4.853 64 HG21 ILE 12 HG21 ILE 12 -1.247 -3.729 -3.644 65 HG22 ILE 12 HG22 ILE 12 0.296 -3.625 -4.490 66 HG23 ILE 12 HG23 ILE 12 -0.632 -2.161 -4.165 67 HD11 ILE 12 HD11 ILE 12 -3.758 -1.648 -4.243 68 HD12 ILE 12 HD12 ILE 12 -2.255 -1.120 -5.001 69 HD13 ILE 12 HD13 ILE 12 -3.755 -1.134 -5.930 70 H TYR 13 H TYR 13 1.141 -1.088 -5.892 71 HA TYR 13 HA TYR 13 3.220 -2.628 -7.234 72 HB2 TYR 13 HB2 TYR 13 3.528 -0.288 -7.447 73 HB3 TYR 13 HB3 TYR 13 3.219 -0.012 -5.736 74 HD1 TYR 13 HD1 TYR 13 5.463 -2.534 -7.298 75 HD2 TYR 13 HD2 TYR 13 5.176 1.029 -4.990 76 HE1 TYR 13 HE1 TYR 13 7.880 -2.635 -6.852 77 HE2 TYR 13 HE2 TYR 13 7.592 0.939 -4.539 78 HH TYR 13 HH TYR 13 9.541 -1.813 -5.511 79 H TRP 14 H TRP 14 3.921 -4.387 -6.223 80 HA TRP 14 HA TRP 14 3.994 -4.433 -3.293 81 HB2 TRP 14 HB2 TRP 14 4.272 -6.670 -5.312 82 HB3 TRP 14 HB3 TRP 14 4.327 -6.878 -3.563 83 HD1 TRP 14 HD1 TRP 14 1.871 -5.955 -6.378 84 HE1 TRP 14 HE1 TRP 14 -0.524 -6.378 -5.533 85 HE3 TRP 14 HE3 TRP 14 2.918 -7.088 -1.504 86 HZ2 TRP 14 HZ2 TRP 14 -1.800 -7.094 -3.120 87 HZ3 TRP 14 HZ3 TRP 14 1.053 -7.631 0.008 88 HH2 TRP 14 HH2 TRP 14 -1.256 -7.632 -0.785 89 H PHE 15 H PHE 15 5.842 -3.982 -2.313 90 HA PHE 15 HA PHE 15 8.295 -3.655 -3.660 91 HB2 PHE 15 HB2 PHE 15 7.456 -3.702 -0.789 92 HB3 PHE 15 HB3 PHE 15 9.172 -3.749 -1.178 93 HD1 PHE 15 HD1 PHE 15 9.887 -1.934 -3.000 94 HD2 PHE 15 HD2 PHE 15 6.514 -1.650 -0.420 95 HE1 PHE 15 HE1 PHE 15 9.894 0.512 -3.266 96 HE2 PHE 15 HE2 PHE 15 6.515 0.796 -0.682 97 HZ PHE 15 HZ PHE 15 8.206 1.880 -2.107 98 H TYR 16 H TYR 16 9.571 -5.187 -4.439 99 HA TYR 16 HA TYR 16 10.575 -7.203 -4.785 100 HB2 TYR 16 HB2 TYR 16 10.579 -7.145 -1.761 101 HB3 TYR 16 HB3 TYR 16 11.503 -8.286 -2.733 102 HD1 TYR 16 HD1 TYR 16 11.037 -4.636 -2.153 103 HD2 TYR 16 HD2 TYR 16 13.649 -7.731 -3.456 104 HE1 TYR 16 HE1 TYR 16 12.880 -3.014 -2.290 105 HE2 TYR 16 HE2 TYR 16 15.500 -6.117 -3.597 106 HH TYR 16 HH TYR 16 15.261 -2.929 -2.313 107 H ARG 17 H ARG 17 8.291 -7.775 -5.544 108 HA ARG 17 HA ARG 17 7.599 -10.326 -4.339 109 HB2 ARG 17 HB2 ARG 17 5.931 -7.925 -4.117 110 HB3 ARG 17 HB3 ARG 17 5.082 -9.315 -4.781 111 HG2 ARG 17 HG2 ARG 17 5.739 -10.641 -2.829 112 HG3 ARG 17 HG3 ARG 17 6.568 -9.233 -2.163 113 HD2 ARG 17 HD2 ARG 17 4.606 -8.138 -1.680 114 HD3 ARG 17 HD3 ARG 17 3.703 -8.981 -2.938 115 HE ARG 17 HE ARG 17 4.106 -9.835 -0.218 116 HH11 ARG 17 HH11 ARG 17 3.345 -10.834 -3.465 117 HH12 ARG 17 HH12 ARG 17 2.523 -12.276 -2.968 118 HH21 ARG 17 HH21 ARG 17 3.026 -11.731 0.449 119 HH22 ARG 17 HH22 ARG 17 2.342 -12.784 -0.742 120 HA PRO 18 HA PRO 18 7.553 -10.337 -8.956 121 HB2 PRO 18 HB2 PRO 18 8.817 -12.728 -9.178 122 HB3 PRO 18 HB3 PRO 18 9.682 -11.196 -9.004 123 HG2 PRO 18 HG2 PRO 18 9.039 -13.255 -6.928 124 HG3 PRO 18 HG3 PRO 18 10.548 -12.360 -7.186 125 HD2 PRO 18 HD2 PRO 18 8.756 -11.677 -5.274 126 HD3 PRO 18 HD3 PRO 18 9.760 -10.478 -6.114 127 H SER 19 H SER 19 6.226 -12.195 -6.456 128 HA SER 19 HA SER 19 4.473 -13.584 -8.373 129 HB2 SER 19 HB2 SER 19 5.806 -14.646 -5.897 130 HB3 SER 19 HB3 SER 19 4.292 -15.347 -6.466 131 HG SER 19 HG SER 19 6.680 -15.097 -7.981 132 H CYS 20 H CYS 20 2.550 -12.638 -8.255 133 HA CYS 20 HA CYS 20 1.585 -10.999 -6.262 134 HB2 CYS 20 HB2 CYS 20 0.100 -12.740 -8.231 135 HB3 CYS 20 HB3 CYS 20 -0.704 -11.570 -7.188 136 HA PRO 21 HA PRO 21 0.360 -13.505 -2.875 137 HB2 PRO 21 HB2 PRO 21 -1.857 -12.197 -2.010 138 HB3 PRO 21 HB3 PRO 21 -0.221 -11.562 -1.795 139 HG2 PRO 21 HG2 PRO 21 -2.266 -10.867 -3.868 140 HG3 PRO 21 HG3 PRO 21 -1.194 -9.793 -2.948 141 HD2 PRO 21 HD2 PRO 21 -0.676 -10.533 -5.501 142 HD3 PRO 21 HD3 PRO 21 0.610 -10.216 -4.319 143 H THR 22 H THR 22 -1.884 -14.340 -1.859 144 HA THR 22 HA THR 22 -3.354 -15.615 -4.074 145 HB THR 22 HB THR 22 -3.812 -17.465 -2.383 146 HG1 THR 22 HG1 THR 22 -3.013 -16.124 -0.578 147 HG21 THR 22 HG21 THR 22 -2.063 -17.432 -4.283 148 HG22 THR 22 HG22 THR 22 -1.908 -18.657 -3.024 149 HG23 THR 22 HG23 THR 22 -0.884 -17.223 -2.989 150 H ASP 23 H ASP 23 -3.556 -13.854 -1.106 151 HA ASP 23 HA ASP 23 -6.329 -14.368 -0.607 152 HB2 ASP 23 HB2 ASP 23 -4.488 -12.204 0.436 153 HB3 ASP 23 HB3 ASP 23 -6.123 -12.496 1.021 154 H ARG 24 H ARG 24 -4.574 -12.245 -2.656 155 HA ARG 24 HA ARG 24 -6.794 -10.391 -2.972 156 HB2 ARG 24 HB2 ARG 24 -4.169 -10.474 -4.466 157 HB3 ARG 24 HB3 ARG 24 -5.320 -9.145 -4.431 158 HG2 ARG 24 HG2 ARG 24 -3.962 -10.155 -1.952 159 HG3 ARG 24 HG3 ARG 24 -3.252 -8.915 -2.988 160 HD2 ARG 24 HD2 ARG 24 -5.965 -8.223 -2.485 161 HD3 ARG 24 HD3 ARG 24 -5.199 -8.616 -0.946 162 HE ARG 24 HE ARG 24 -3.661 -6.845 -2.618 163 HH11 ARG 24 HH11 ARG 24 -6.115 -7.084 -0.161 164 HH12 ARG 24 HH12 ARG 24 -5.863 -5.476 0.431 165 HH21 ARG 24 HH21 ARG 24 -3.320 -4.724 -1.847 166 HH22 ARG 24 HH22 ARG 24 -4.274 -4.135 -0.529 167 H GLY 25 H GLY 25 -7.191 -9.768 -5.406 168 HA2 GLY 25 HA2 GLY 25 -7.651 -12.294 -6.871 169 HA3 GLY 25 HA3 GLY 25 -8.805 -10.969 -6.851 170 H TYR 26 H TYR 26 -5.367 -11.520 -7.624 171 HA TYR 26 HA TYR 26 -5.589 -9.548 -9.776 172 HB2 TYR 26 HB2 TYR 26 -3.126 -10.924 -8.683 173 HB3 TYR 26 HB3 TYR 26 -3.149 -9.596 -9.838 174 HD1 TYR 26 HD1 TYR 26 -4.956 -7.664 -8.773 175 HD2 TYR 26 HD2 TYR 26 -2.262 -10.199 -6.672 176 HE1 TYR 26 HE1 TYR 26 -4.888 -6.047 -6.921 177 HE2 TYR 26 HE2 TYR 26 -2.187 -8.589 -4.814 178 HH TYR 26 HH TYR 26 -4.368 -6.235 -4.332 179 H THR 27 H THR 27 -4.582 -10.040 -11.863 180 HA THR 27 HA THR 27 -4.728 -12.903 -12.547 181 HB THR 27 HB THR 27 -5.708 -12.304 -14.723 182 HG1 THR 27 HG1 THR 27 -6.218 -10.224 -15.205 183 HG21 THR 27 HG21 THR 27 -7.224 -11.325 -12.304 184 HG22 THR 27 HG22 THR 27 -7.249 -12.947 -12.996 185 HG23 THR 27 HG23 THR 27 -7.954 -11.598 -13.885 186 H GLY 28 H GLY 28 -3.388 -9.730 -13.327 187 HA2 GLY 28 HA2 GLY 28 -1.152 -11.117 -14.672 188 HA3 GLY 28 HA3 GLY 28 -1.830 -9.624 -15.305 189 H SER 29 H SER 29 0.909 -10.228 -14.446 190 HA SER 29 HA SER 29 1.182 -8.041 -12.505 191 HB2 SER 29 HB2 SER 29 2.630 -9.209 -11.110 192 HB3 SER 29 HB3 SER 29 1.483 -10.471 -11.561 193 HG SER 29 HG SER 29 3.778 -11.016 -11.744 194 H CYS 30 H CYS 30 2.742 -6.595 -12.974 195 HA CYS 30 HA CYS 30 4.496 -7.202 -15.264 196 HB2 CYS 30 HB2 CYS 30 3.570 -4.456 -14.410 197 HB3 CYS 30 HB3 CYS 30 4.401 -4.892 -15.900 198 H ARG 31 H ARG 31 6.600 -7.248 -14.860 199 HA ARG 31 HA ARG 31 7.742 -6.946 -12.362 200 HB2 ARG 31 HB2 ARG 31 8.782 -7.063 -15.140 201 HB3 ARG 31 HB3 ARG 31 9.883 -6.462 -13.907 202 HG2 ARG 31 HG2 ARG 31 9.073 -8.628 -12.632 203 HG3 ARG 31 HG3 ARG 31 8.744 -9.175 -14.277 204 HD2 ARG 31 HD2 ARG 31 11.003 -8.924 -14.916 205 HD3 ARG 31 HD3 ARG 31 11.387 -7.993 -13.469 206 HE ARG 31 HE ARG 31 10.478 -10.598 -12.800 207 HH11 ARG 31 HH11 ARG 31 13.238 -8.850 -14.003 208 HH12 ARG 31 HH12 ARG 31 14.389 -10.002 -13.411 209 HH21 ARG 31 HH21 ARG 31 11.984 -12.122 -12.017 210 HH22 ARG 31 HH22 ARG 31 13.675 -11.863 -12.282 211 H TYR 32 H TYR 32 8.323 -5.265 -11.147 212 HA TYR 32 HA TYR 32 8.146 -2.585 -12.318 213 HB2 TYR 32 HB2 TYR 32 6.915 -3.430 -10.140 214 HB3 TYR 32 HB3 TYR 32 8.456 -3.048 -9.381 215 HD1 TYR 32 HD2 TYR 32 5.858 -1.541 -11.593 216 HD2 TYR 32 HD1 TYR 32 8.864 -0.881 -8.656 217 HE1 TYR 32 HE2 TYR 32 5.200 0.825 -11.461 218 HE2 TYR 32 HE1 TYR 32 8.213 1.487 -8.514 219 HH TYR 32 HH TYR 32 5.570 2.787 -10.503 220 H PHE 33 H PHE 33 9.675 -0.951 -11.216 221 HA PHE 33 HA PHE 33 12.288 -1.495 -11.982 222 HB2 PHE 33 HB2 PHE 33 11.064 0.762 -11.407 223 HB3 PHE 33 HB3 PHE 33 11.760 0.496 -9.811 224 HD1 PHE 33 HD2 PHE 33 12.520 1.096 -13.355 225 HD2 PHE 33 HD1 PHE 33 14.091 0.772 -9.413 226 HE1 PHE 33 HE2 PHE 33 14.647 2.063 -14.127 227 HE2 PHE 33 HE1 PHE 33 16.220 1.739 -10.179 228 HZ PHE 33 HZ PHE 33 16.501 2.385 -12.538 229 H LEU 34 H LEU 34 10.946 -1.393 -8.684 230 HA LEU 34 HA LEU 34 13.327 -2.835 -7.741 231 HB2 LEU 34 HB2 LEU 34 11.321 -1.083 -6.358 232 HB3 LEU 34 HB3 LEU 34 12.382 -2.163 -5.454 233 HG LEU 34 HG LEU 34 13.686 -0.314 -7.363 234 HD11 LEU 34 HD11 LEU 34 12.882 1.573 -6.530 235 HD12 LEU 34 HD12 LEU 34 13.399 1.086 -4.916 236 HD13 LEU 34 HD13 LEU 34 11.787 0.660 -5.491 237 HD21 LEU 34 HD21 LEU 34 14.315 -1.016 -4.502 238 HD22 LEU 34 HD22 LEU 34 15.387 -0.274 -5.690 239 HD23 LEU 34 HD23 LEU 34 14.872 -1.950 -5.891 240 H GLY 35 H GLY 35 9.782 -2.811 -7.519 241 HA2 GLY 35 HA2 GLY 35 9.920 -5.632 -6.646 242 HA3 GLY 35 HA3 GLY 35 8.635 -4.527 -6.181 243 H THR 36 H THR 36 6.828 -5.269 -7.082 244 HA THR 36 HA THR 36 6.770 -5.579 -9.991 245 HB THR 36 HB THR 36 5.305 -7.601 -8.332 246 HG1 THR 36 HG1 THR 36 7.452 -7.858 -7.692 247 HG21 THR 36 HG21 THR 36 6.008 -7.174 -11.165 248 HG22 THR 36 HG22 THR 36 4.604 -7.966 -10.451 249 HG23 THR 36 HG23 THR 36 6.130 -8.837 -10.592 250 H CYS 37 H CYS 37 4.559 -5.578 -10.865 251 HA CYS 37 HA CYS 37 2.701 -4.105 -9.113 252 HB2 CYS 37 HB2 CYS 37 3.705 -2.718 -10.925 253 HB3 CYS 37 HB3 CYS 37 2.994 -3.809 -12.109 254 H CYS 38 H CYS 38 1.125 -5.456 -8.545 255 HA CYS 38 HA CYS 38 0.198 -7.493 -10.419 256 HB2 CYS 38 HB2 CYS 38 -0.347 -7.000 -7.489 257 HB3 CYS 38 HB3 CYS 38 -1.180 -8.239 -8.423 258 H THR 39 H THR 39 -1.686 -7.406 -11.479 259 HA THR 39 HA THR 39 -3.594 -5.281 -10.748 260 HB THR 39 HB THR 39 -4.133 -5.412 -13.330 261 HG1 THR 39 HG1 THR 39 -1.463 -6.357 -13.108 262 HG21 THR 39 HG21 THR 39 -1.712 -3.935 -12.290 263 HG22 THR 39 HG22 THR 39 -3.383 -3.411 -12.089 264 HG23 THR 39 HG23 THR 39 -2.676 -3.506 -13.702 265 HA PRO 40 HA PRO 40 -5.504 -4.648 -12.150 266 HB2 PRO 40 HB2 PRO 40 -7.939 -4.392 -10.976 267 HB3 PRO 40 HB3 PRO 40 -7.726 -4.994 -12.623 268 HG2 PRO 40 HG2 PRO 40 -8.162 -6.527 -10.089 269 HG3 PRO 40 HG3 PRO 40 -8.887 -6.778 -11.687 270 HD2 PRO 40 HD2 PRO 40 -6.824 -8.275 -10.772 271 HD3 PRO 40 HD3 PRO 40 -7.035 -7.890 -12.492 272 H ALA 41 H ALA 41 -6.174 -2.803 -10.620 273 HA ALA 41 HA ALA 41 -4.588 -3.043 -8.233 274 HB1 ALA 41 HB1 ALA 41 -4.253 -0.921 -8.836 275 HB2 ALA 41 HB2 ALA 41 -5.709 -0.888 -9.832 276 HB3 ALA 41 HB3 ALA 41 -5.820 -0.584 -8.099 277 H ASP 42 H ASP 42 -5.500 -4.221 -6.642 278 HA ASP 42 HA ASP 42 -7.905 -3.163 -5.404 279 HB2 ASP 42 HB2 ASP 42 -9.203 -5.098 -5.498 280 HB3 ASP 42 HB3 ASP 42 -8.492 -5.035 -7.108 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -0.118 -0.124 -1.298 2 HA2 GLY 1 HA2 GLY 1 2.302 0.537 -0.503 3 HA3 GLY 1 HA3 GLY 1 2.727 -0.441 -1.900 4 H THR 2 H THR 2 3.244 0.782 -3.575 5 HA THR 2 HA THR 2 2.062 3.437 -3.850 6 HB THR 2 HB THR 2 4.109 2.388 -5.760 7 HG1 THR 2 HG1 THR 2 4.486 2.931 -3.020 8 HG21 THR 2 HG21 THR 2 3.367 5.046 -4.576 9 HG22 THR 2 HG22 THR 2 3.418 4.565 -6.271 10 HG23 THR 2 HG23 THR 2 4.918 4.799 -5.375 11 H ALA 3 H ALA 3 1.486 4.162 -6.086 12 HA ALA 3 HA ALA 3 -0.258 2.167 -7.299 13 HB1 ALA 3 HB1 ALA 3 -1.191 4.358 -6.754 14 HB2 ALA 3 HB2 ALA 3 -0.026 5.126 -7.834 15 HB3 ALA 3 HB3 ALA 3 -1.257 4.047 -8.489 16 H CYS 4 H CYS 4 0.281 1.079 -9.066 17 HA CYS 4 HA CYS 4 2.332 2.219 -10.850 18 HB2 CYS 4 HB2 CYS 4 2.909 -0.191 -11.381 19 HB3 CYS 4 HB3 CYS 4 3.347 0.360 -9.767 20 H SER 5 H SER 5 2.245 1.177 -13.084 21 HA SER 5 HA SER 5 -0.512 0.579 -13.894 22 HB2 SER 5 HB2 SER 5 0.903 2.215 -15.854 23 HB3 SER 5 HB3 SER 5 -0.725 2.398 -15.204 24 HG SER 5 HG SER 5 1.028 4.057 -14.727 25 H CYS 6 H CYS 6 -0.723 -0.833 -15.588 26 HA CYS 6 HA CYS 6 1.771 -2.091 -16.505 27 HB2 CYS 6 HB2 CYS 6 -0.962 -3.115 -15.917 28 HB3 CYS 6 HB3 CYS 6 -0.065 -3.898 -17.215 29 H GLY 7 H GLY 7 0.392 0.336 -17.619 30 HA2 GLY 7 HA2 GLY 7 0.886 0.751 -20.033 31 HA3 GLY 7 HA3 GLY 7 -0.055 -0.698 -20.353 32 H ASN 8 H ASN 8 -2.345 -0.597 -19.368 33 HA ASN 8 HA ASN 8 -3.443 2.118 -19.613 34 HB2 ASN 8 HB2 ASN 8 -4.344 -0.357 -21.082 35 HB3 ASN 8 HB3 ASN 8 -5.399 1.035 -20.859 36 HD21 ASN 8 HD21 ASN 8 -5.156 2.780 -22.134 37 HD22 ASN 8 HD22 ASN 8 -3.966 2.920 -23.379 38 H SER 9 H SER 9 -2.892 0.241 -17.356 39 HA SER 9 HA SER 9 -5.494 0.498 -16.086 40 HB2 SER 9 HB2 SER 9 -5.481 -1.785 -17.097 41 HB3 SER 9 HB3 SER 9 -4.057 -2.168 -16.130 42 HG SER 9 HG SER 9 -5.252 -2.194 -14.341 43 H LYS 10 H LYS 10 -5.403 0.379 -13.783 44 HA LYS 10 HA LYS 10 -2.752 1.063 -12.744 45 HB2 LYS 10 HB2 LYS 10 -5.475 1.410 -11.474 46 HB3 LYS 10 HB3 LYS 10 -3.952 2.006 -10.827 47 HG2 LYS 10 HG2 LYS 10 -3.833 3.727 -12.309 48 HG3 LYS 10 HG3 LYS 10 -4.710 2.852 -13.566 49 HD2 LYS 10 HD2 LYS 10 -6.176 3.571 -11.083 50 HD3 LYS 10 HD3 LYS 10 -5.808 4.862 -12.229 51 HE2 LYS 10 HE2 LYS 10 -7.050 3.850 -13.938 52 HE3 LYS 10 HE3 LYS 10 -7.078 2.291 -13.114 53 HZ1 LYS 10 HZ1 LYS 10 -8.365 4.636 -11.882 54 HZ2 LYS 10 HZ2 LYS 10 -8.700 2.994 -11.656 55 HZ3 LYS 10 HZ3 LYS 10 -9.173 3.764 -13.086 56 H GLY 11 H GLY 11 -1.864 0.068 -10.926 57 HA2 GLY 11 HA2 GLY 11 -3.270 -2.238 -9.800 58 HA3 GLY 11 HA3 GLY 11 -1.734 -2.539 -10.600 59 H ILE 12 H ILE 12 -1.607 -3.370 -8.193 60 HA ILE 12 HA ILE 12 -0.678 -1.208 -6.443 61 HB ILE 12 HB ILE 12 -1.225 -4.107 -5.799 62 HG12 ILE 12 HG12 ILE 12 -3.275 -2.883 -6.275 63 HG13 ILE 12 HG13 ILE 12 -3.160 -3.200 -4.547 64 HG21 ILE 12 HG21 ILE 12 -1.114 -3.155 -3.413 65 HG22 ILE 12 HG22 ILE 12 0.400 -3.449 -4.266 66 HG23 ILE 12 HG23 ILE 12 -0.240 -1.810 -4.146 67 HD11 ILE 12 HD11 ILE 12 -3.957 -0.974 -4.875 68 HD12 ILE 12 HD12 ILE 12 -2.311 -0.890 -4.243 69 HD13 ILE 12 HD13 ILE 12 -2.615 -0.602 -5.957 70 H TYR 13 H TYR 13 1.417 -0.880 -6.086 71 HA TYR 13 HA TYR 13 3.353 -2.661 -7.312 72 HB2 TYR 13 HB2 TYR 13 3.798 -0.377 -7.719 73 HB3 TYR 13 HB3 TYR 13 3.538 0.061 -6.035 74 HD1 TYR 13 HD1 TYR 13 5.616 -2.704 -7.405 75 HD2 TYR 13 HD2 TYR 13 5.561 1.054 -5.412 76 HE1 TYR 13 HE1 TYR 13 8.032 -2.897 -6.988 77 HE2 TYR 13 HE2 TYR 13 7.978 0.873 -4.989 78 HH TYR 13 HH TYR 13 9.664 -1.845 -5.109 79 H TRP 14 H TRP 14 4.234 -4.285 -6.236 80 HA TRP 14 HA TRP 14 4.322 -4.165 -3.301 81 HB2 TRP 14 HB2 TRP 14 4.524 -6.561 -5.138 82 HB3 TRP 14 HB3 TRP 14 4.535 -6.615 -3.377 83 HD1 TRP 14 HD1 TRP 14 2.172 -5.892 -6.324 84 HE1 TRP 14 HE1 TRP 14 -0.253 -6.157 -5.503 85 HE3 TRP 14 HE3 TRP 14 3.074 -6.571 -1.338 86 HZ2 TRP 14 HZ2 TRP 14 -1.605 -6.596 -3.064 87 HZ3 TRP 14 HZ3 TRP 14 1.161 -6.906 0.172 88 HH2 TRP 14 HH2 TRP 14 -1.129 -6.917 -0.675 89 H PHE 15 H PHE 15 6.211 -3.877 -2.327 90 HA PHE 15 HA PHE 15 8.636 -3.675 -3.803 91 HB2 PHE 15 HB2 PHE 15 7.975 -3.554 -0.867 92 HB3 PHE 15 HB3 PHE 15 9.637 -3.470 -1.443 93 HD1 PHE 15 HD2 PHE 15 10.300 -1.603 -2.978 94 HD2 PHE 15 HD1 PHE 15 6.567 -1.679 -0.935 95 HE1 PHE 15 HE2 PHE 15 10.048 0.814 -3.356 96 HE2 PHE 15 HE1 PHE 15 6.308 0.738 -1.311 97 HZ PHE 15 HZ PHE 15 8.050 1.989 -2.522 98 H TYR 16 H TYR 16 9.722 -5.370 -4.542 99 HA TYR 16 HA TYR 16 10.680 -7.427 -4.709 100 HB2 TYR 16 HB2 TYR 16 10.762 -7.129 -1.701 101 HB3 TYR 16 HB3 TYR 16 11.618 -8.376 -2.601 102 HD1 TYR 16 HD1 TYR 16 11.313 -4.682 -2.257 103 HD2 TYR 16 HD2 TYR 16 13.755 -7.956 -3.448 104 HE1 TYR 16 HE1 TYR 16 13.210 -3.147 -2.561 105 HE2 TYR 16 HE2 TYR 16 15.660 -6.430 -3.754 106 HH TYR 16 HH TYR 16 15.937 -3.909 -4.249 107 H ARG 17 H ARG 17 8.329 -7.930 -5.350 108 HA ARG 17 HA ARG 17 7.574 -10.357 -3.942 109 HB2 ARG 17 HB2 ARG 17 6.002 -7.871 -3.870 110 HB3 ARG 17 HB3 ARG 17 5.088 -9.298 -4.336 111 HG2 ARG 17 HG2 ARG 17 6.081 -10.401 -2.262 112 HG3 ARG 17 HG3 ARG 17 6.554 -8.772 -1.777 113 HD2 ARG 17 HD2 ARG 17 4.376 -8.076 -1.499 114 HD3 ARG 17 HD3 ARG 17 3.738 -9.282 -2.616 115 HE ARG 17 HE ARG 17 4.879 -10.376 -0.205 116 HH11 ARG 17 HH11 ARG 17 2.012 -9.128 -1.735 117 HH12 ARG 17 HH12 ARG 17 0.925 -9.947 -0.662 118 HH21 ARG 17 HH21 ARG 17 3.459 -11.459 1.213 119 HH22 ARG 17 HH22 ARG 17 1.749 -11.271 1.015 120 HA PRO 18 HA PRO 18 7.336 -10.643 -8.554 121 HB2 PRO 18 HB2 PRO 18 8.573 -13.056 -8.689 122 HB3 PRO 18 HB3 PRO 18 9.456 -11.524 -8.653 123 HG2 PRO 18 HG2 PRO 18 8.902 -13.446 -6.424 124 HG3 PRO 18 HG3 PRO 18 10.402 -12.582 -6.811 125 HD2 PRO 18 HD2 PRO 18 8.712 -11.765 -4.859 126 HD3 PRO 18 HD3 PRO 18 9.681 -10.629 -5.820 127 H SER 19 H SER 19 6.160 -12.375 -5.877 128 HA SER 19 HA SER 19 4.334 -13.898 -7.619 129 HB2 SER 19 HB2 SER 19 5.198 -14.724 -4.841 130 HB3 SER 19 HB3 SER 19 4.268 -15.674 -6.000 131 HG SER 19 HG SER 19 6.871 -15.636 -5.710 132 H CYS 20 H CYS 20 2.533 -12.681 -7.627 133 HA CYS 20 HA CYS 20 1.618 -11.027 -5.576 134 HB2 CYS 20 HB2 CYS 20 0.009 -12.423 -7.726 135 HB3 CYS 20 HB3 CYS 20 -0.551 -11.064 -6.756 136 HA PRO 21 HA PRO 21 -0.197 -13.664 -2.574 137 HB2 PRO 21 HB2 PRO 21 -2.283 -12.145 -1.732 138 HB3 PRO 21 HB3 PRO 21 -0.602 -11.773 -1.333 139 HG2 PRO 21 HG2 PRO 21 -2.349 -10.593 -3.458 140 HG3 PRO 21 HG3 PRO 21 -1.226 -9.779 -2.354 141 HD2 PRO 21 HD2 PRO 21 -0.594 -10.333 -4.928 142 HD3 PRO 21 HD3 PRO 21 0.617 -10.318 -3.630 143 H THR 22 H THR 22 -1.791 -15.189 -2.306 144 HA THR 22 HA THR 22 -3.527 -15.631 -4.579 145 HB THR 22 HB THR 22 -4.192 -17.703 -3.178 146 HG1 THR 22 HG1 THR 22 -3.075 -16.622 -1.265 147 HG21 THR 22 HG21 THR 22 -1.336 -17.372 -4.108 148 HG22 THR 22 HG22 THR 22 -2.712 -17.778 -5.134 149 HG23 THR 22 HG23 THR 22 -2.182 -18.903 -3.882 150 H ASP 23 H ASP 23 -3.783 -14.440 -1.340 151 HA ASP 23 HA ASP 23 -6.527 -14.906 -0.892 152 HB2 ASP 23 HB2 ASP 23 -4.523 -12.976 0.232 153 HB3 ASP 23 HB3 ASP 23 -6.226 -12.827 0.656 154 H ARG 24 H ARG 24 -4.834 -12.562 -2.796 155 HA ARG 24 HA ARG 24 -7.170 -10.848 -3.063 156 HB2 ARG 24 HB2 ARG 24 -4.462 -10.658 -4.396 157 HB3 ARG 24 HB3 ARG 24 -5.723 -9.433 -4.438 158 HG2 ARG 24 HG2 ARG 24 -4.742 -10.329 -1.784 159 HG3 ARG 24 HG3 ARG 24 -3.696 -9.295 -2.758 160 HD2 ARG 24 HD2 ARG 24 -4.914 -7.773 -1.494 161 HD3 ARG 24 HD3 ARG 24 -5.785 -7.810 -3.026 162 HE ARG 24 HE ARG 24 -6.956 -9.710 -1.375 163 HH11 ARG 24 HH11 ARG 24 -6.492 -6.260 -1.433 164 HH12 ARG 24 HH12 ARG 24 -7.941 -5.919 -0.547 165 HH21 ARG 24 HH21 ARG 24 -8.866 -9.274 -0.207 166 HH22 ARG 24 HH22 ARG 24 -9.290 -7.634 0.151 167 H GLY 25 H GLY 25 -7.505 -10.072 -5.473 168 HA2 GLY 25 HA2 GLY 25 -7.795 -12.524 -7.099 169 HA3 GLY 25 HA3 GLY 25 -8.978 -11.223 -7.078 170 H TYR 26 H TYR 26 -5.470 -11.592 -7.627 171 HA TYR 26 HA TYR 26 -5.594 -9.514 -9.667 172 HB2 TYR 26 HB2 TYR 26 -3.223 -11.026 -8.550 173 HB3 TYR 26 HB3 TYR 26 -3.136 -9.667 -9.666 174 HD1 TYR 26 HD2 TYR 26 -4.831 -7.649 -8.674 175 HD2 TYR 26 HD1 TYR 26 -2.522 -10.438 -6.440 176 HE1 TYR 26 HE2 TYR 26 -4.792 -6.088 -6.774 177 HE2 TYR 26 HE1 TYR 26 -2.478 -8.885 -4.534 178 HH TYR 26 HH TYR 26 -3.643 -5.618 -4.799 179 H THR 27 H THR 27 -5.397 -9.852 -11.808 180 HA THR 27 HA THR 27 -5.370 -12.634 -12.721 181 HB THR 27 HB THR 27 -6.239 -11.808 -14.833 182 HG1 THR 27 HG1 THR 27 -6.398 -9.187 -13.806 183 HG21 THR 27 HG21 THR 27 -8.075 -10.223 -13.321 184 HG22 THR 27 HG22 THR 27 -7.561 -11.595 -12.340 185 HG23 THR 27 HG23 THR 27 -8.274 -11.864 -13.930 186 H GLY 28 H GLY 28 -3.867 -9.503 -13.537 187 HA2 GLY 28 HA2 GLY 28 -1.598 -11.026 -14.664 188 HA3 GLY 28 HA3 GLY 28 -2.188 -9.536 -15.385 189 H SER 29 H SER 29 0.477 -9.919 -14.623 190 HA SER 29 HA SER 29 0.757 -7.727 -12.737 191 HB2 SER 29 HB2 SER 29 2.377 -8.923 -11.328 192 HB3 SER 29 HB3 SER 29 0.804 -9.720 -11.292 193 HG SER 29 HG SER 29 3.206 -10.656 -12.173 194 H CYS 30 H CYS 30 2.597 -6.526 -13.043 195 HA CYS 30 HA CYS 30 4.406 -7.433 -15.187 196 HB2 CYS 30 HB2 CYS 30 3.671 -4.553 -14.654 197 HB3 CYS 30 HB3 CYS 30 4.536 -5.205 -16.041 198 H ARG 31 H ARG 31 6.490 -7.519 -14.669 199 HA ARG 31 HA ARG 31 7.483 -7.167 -12.120 200 HB2 ARG 31 HB2 ARG 31 9.657 -7.443 -13.032 201 HB3 ARG 31 HB3 ARG 31 8.574 -8.384 -14.049 202 HG2 ARG 31 HG2 ARG 31 9.434 -7.339 -15.800 203 HG3 ARG 31 HG3 ARG 31 8.665 -5.859 -15.225 204 HD2 ARG 31 HD2 ARG 31 10.740 -5.029 -15.126 205 HD3 ARG 31 HD3 ARG 31 10.907 -5.999 -13.663 206 HE ARG 31 HE ARG 31 11.564 -7.676 -15.739 207 HH11 ARG 31 HH11 ARG 31 12.714 -4.632 -14.501 208 HH12 ARG 31 HH12 ARG 31 14.348 -4.891 -15.016 209 HH21 ARG 31 HH21 ARG 31 13.712 -8.028 -16.422 210 HH22 ARG 31 HH22 ARG 31 14.915 -6.822 -16.109 211 H TYR 32 H TYR 32 8.662 -5.566 -11.072 212 HA TYR 32 HA TYR 32 8.480 -2.883 -12.278 213 HB2 TYR 32 HB2 TYR 32 7.037 -3.549 -10.173 214 HB3 TYR 32 HB3 TYR 32 8.543 -3.256 -9.312 215 HD1 TYR 32 HD1 TYR 32 6.107 -1.668 -11.627 216 HD2 TYR 32 HD2 TYR 32 9.194 -1.072 -8.760 217 HE1 TYR 32 HE1 TYR 32 5.624 0.743 -11.615 218 HE2 TYR 32 HE2 TYR 32 8.718 1.341 -8.739 219 HH TYR 32 HH TYR 32 7.582 3.006 -10.614 220 H PHE 33 H PHE 33 10.051 -1.309 -11.227 221 HA PHE 33 HA PHE 33 12.674 -2.174 -11.682 222 HB2 PHE 33 HB2 PHE 33 11.575 0.241 -11.556 223 HB3 PHE 33 HB3 PHE 33 12.197 0.179 -9.911 224 HD1 PHE 33 HD1 PHE 33 13.091 0.225 -13.464 225 HD2 PHE 33 HD2 PHE 33 14.551 0.255 -9.465 226 HE1 PHE 33 HE1 PHE 33 15.313 0.888 -14.284 227 HE2 PHE 33 HE2 PHE 33 16.776 0.919 -10.279 228 HZ PHE 33 HZ PHE 33 17.160 1.238 -12.691 229 H LEU 34 H LEU 34 11.120 -1.324 -8.586 230 HA LEU 34 HA LEU 34 13.160 -2.951 -7.222 231 HB2 LEU 34 HB2 LEU 34 11.622 -0.523 -6.365 232 HB3 LEU 34 HB3 LEU 34 12.375 -1.594 -5.186 233 HG LEU 34 HG LEU 34 14.012 -0.405 -7.390 234 HD11 LEU 34 HD11 LEU 34 13.194 1.595 -6.619 235 HD12 LEU 34 HD12 LEU 34 14.557 1.350 -5.529 236 HD13 LEU 34 HD13 LEU 34 12.920 0.982 -4.988 237 HD21 LEU 34 HD21 LEU 34 15.321 -1.896 -6.260 238 HD22 LEU 34 HD22 LEU 34 14.460 -1.672 -4.736 239 HD23 LEU 34 HD23 LEU 34 15.607 -0.451 -5.290 240 H GLY 35 H GLY 35 10.852 -4.107 -8.421 241 HA2 GLY 35 HA2 GLY 35 10.002 -5.925 -6.601 242 HA3 GLY 35 HA3 GLY 35 8.900 -4.579 -6.346 243 H THR 36 H THR 36 7.020 -5.291 -7.158 244 HA THR 36 HA THR 36 6.880 -5.758 -10.023 245 HB THR 36 HB THR 36 5.549 -7.765 -8.217 246 HG1 THR 36 HG1 THR 36 7.407 -8.732 -7.973 247 HG21 THR 36 HG21 THR 36 5.772 -7.289 -11.091 248 HG22 THR 36 HG22 THR 36 4.594 -8.243 -10.190 249 HG23 THR 36 HG23 THR 36 6.152 -8.946 -10.624 250 H CYS 37 H CYS 37 4.674 -5.703 -10.843 251 HA CYS 37 HA CYS 37 2.869 -4.217 -9.048 252 HB2 CYS 37 HB2 CYS 37 3.751 -2.833 -10.881 253 HB3 CYS 37 HB3 CYS 37 3.136 -3.993 -12.055 254 H CYS 38 H CYS 38 1.110 -5.302 -8.498 255 HA CYS 38 HA CYS 38 0.184 -7.488 -10.219 256 HB2 CYS 38 HB2 CYS 38 -0.444 -6.845 -7.331 257 HB3 CYS 38 HB3 CYS 38 -1.110 -8.209 -8.222 258 H THR 39 H THR 39 -1.746 -7.450 -11.214 259 HA THR 39 HA THR 39 -3.611 -5.269 -10.552 260 HB THR 39 HB THR 39 -4.148 -5.406 -13.125 261 HG1 THR 39 HG1 THR 39 -1.482 -6.376 -12.923 262 HG21 THR 39 HG21 THR 39 -2.658 -3.533 -13.520 263 HG22 THR 39 HG22 THR 39 -1.686 -3.977 -12.117 264 HG23 THR 39 HG23 THR 39 -3.343 -3.415 -11.900 265 HA PRO 40 HA PRO 40 -5.518 -4.637 -11.946 266 HB2 PRO 40 HB2 PRO 40 -7.948 -4.363 -10.768 267 HB3 PRO 40 HB3 PRO 40 -7.743 -4.974 -12.414 268 HG2 PRO 40 HG2 PRO 40 -8.181 -6.492 -9.871 269 HG3 PRO 40 HG3 PRO 40 -8.911 -6.748 -11.466 270 HD2 PRO 40 HD2 PRO 40 -6.854 -8.250 -10.548 271 HD3 PRO 40 HD3 PRO 40 -7.066 -7.873 -12.270 272 H ALA 41 H ALA 41 -6.142 -2.776 -10.436 273 HA ALA 41 HA ALA 41 -4.522 -2.953 -8.092 274 HB1 ALA 41 HB1 ALA 41 -5.555 -0.895 -9.714 275 HB2 ALA 41 HB2 ALA 41 -6.141 -0.600 -8.075 276 HB3 ALA 41 HB3 ALA 41 -4.411 -0.757 -8.379 277 H ASP 42 H ASP 42 -5.217 -4.050 -6.369 278 HA ASP 42 HA ASP 42 -8.046 -3.903 -5.617 279 HB2 ASP 42 HB2 ASP 42 -5.816 -5.806 -4.973 280 HB3 ASP 42 HB3 ASP 42 -7.229 -5.717 -3.926 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.882 1.220 0.137 2 HA2 GLY 1 HA2 GLY 1 2.570 -0.568 -1.941 3 HA3 GLY 1 HA3 GLY 1 0.847 -0.688 -1.614 4 H THR 2 H THR 2 3.039 0.752 -3.556 5 HA THR 2 HA THR 2 1.701 3.332 -3.752 6 HB THR 2 HB THR 2 3.817 2.504 -5.686 7 HG1 THR 2 HG1 THR 2 5.350 3.250 -3.996 8 HG21 THR 2 HG21 THR 2 2.955 5.033 -4.314 9 HG22 THR 2 HG22 THR 2 3.039 4.684 -6.040 10 HG23 THR 2 HG23 THR 2 4.521 4.912 -5.114 11 H ALA 3 H ALA 3 1.159 4.129 -5.987 12 HA ALA 3 HA ALA 3 -0.489 2.121 -7.305 13 HB1 ALA 3 HB1 ALA 3 -0.336 5.108 -7.700 14 HB2 ALA 3 HB2 ALA 3 -1.490 4.027 -8.483 15 HB3 ALA 3 HB3 ALA 3 -1.529 4.240 -6.733 16 H CYS 4 H CYS 4 0.020 1.180 -9.172 17 HA CYS 4 HA CYS 4 2.101 2.418 -10.849 18 HB2 CYS 4 HB2 CYS 4 2.747 0.024 -11.448 19 HB3 CYS 4 HB3 CYS 4 3.197 0.581 -9.840 20 H SER 5 H SER 5 2.094 1.408 -13.111 21 HA SER 5 HA SER 5 -0.648 0.800 -13.979 22 HB2 SER 5 HB2 SER 5 0.371 2.271 -16.079 23 HB3 SER 5 HB3 SER 5 -0.759 2.870 -14.865 24 HG SER 5 HG SER 5 1.499 3.907 -15.324 25 H CYS 6 H CYS 6 -0.832 -0.494 -15.815 26 HA CYS 6 HA CYS 6 1.678 -1.779 -16.674 27 HB2 CYS 6 HB2 CYS 6 -1.028 -2.891 -16.056 28 HB3 CYS 6 HB3 CYS 6 -0.042 -3.691 -17.274 29 H GLY 7 H GLY 7 -0.019 0.546 -17.755 30 HA2 GLY 7 HA2 GLY 7 0.495 0.850 -20.250 31 HA3 GLY 7 HA3 GLY 7 -0.551 -0.549 -20.439 32 H ASN 8 H ASN 8 -2.771 -0.296 -19.425 33 HA ASN 8 HA ASN 8 -3.718 2.480 -19.603 34 HB2 ASN 8 HB2 ASN 8 -4.701 0.096 -21.141 35 HB3 ASN 8 HB3 ASN 8 -5.800 1.418 -20.756 36 HD21 ASN 8 HD21 ASN 8 -3.309 0.312 -22.784 37 HD22 ASN 8 HD22 ASN 8 -3.129 1.742 -23.737 38 H SER 9 H SER 9 -3.202 0.580 -17.376 39 HA SER 9 HA SER 9 -5.761 0.932 -16.041 40 HB2 SER 9 HB2 SER 9 -5.670 -1.400 -17.121 41 HB3 SER 9 HB3 SER 9 -4.441 -1.776 -15.914 42 HG SER 9 HG SER 9 -5.917 -1.753 -14.378 43 H LYS 10 H LYS 10 -5.576 0.393 -13.676 44 HA LYS 10 HA LYS 10 -2.918 1.203 -12.719 45 HB2 LYS 10 HB2 LYS 10 -5.618 1.427 -11.376 46 HB3 LYS 10 HB3 LYS 10 -4.093 1.959 -10.679 47 HG2 LYS 10 HG2 LYS 10 -3.903 3.749 -12.126 48 HG3 LYS 10 HG3 LYS 10 -4.983 3.029 -13.322 49 HD2 LYS 10 HD2 LYS 10 -6.138 4.840 -12.252 50 HD3 LYS 10 HD3 LYS 10 -6.859 3.324 -11.709 51 HE2 LYS 10 HE2 LYS 10 -5.670 3.443 -9.625 52 HE3 LYS 10 HE3 LYS 10 -4.755 4.845 -10.176 53 HZ1 LYS 10 HZ1 LYS 10 -7.446 5.474 -10.442 54 HZ2 LYS 10 HZ2 LYS 10 -6.340 6.118 -9.338 55 HZ3 LYS 10 HZ3 LYS 10 -7.271 4.772 -8.913 56 H GLY 11 H GLY 11 -1.950 0.154 -10.964 57 HA2 GLY 11 HA2 GLY 11 -3.234 -2.306 -10.007 58 HA3 GLY 11 HA3 GLY 11 -1.653 -2.429 -10.765 59 H ILE 12 H ILE 12 -1.507 -3.420 -8.434 60 HA ILE 12 HA ILE 12 -0.790 -1.312 -6.516 61 HB ILE 12 HB ILE 12 -1.216 -4.265 -6.044 62 HG12 ILE 12 HG12 ILE 12 -3.308 -3.129 -6.543 63 HG13 ILE 12 HG13 ILE 12 -3.242 -3.516 -4.828 64 HG21 ILE 12 HG21 ILE 12 -0.085 -2.121 -4.400 65 HG22 ILE 12 HG22 ILE 12 -1.351 -3.058 -3.609 66 HG23 ILE 12 HG23 ILE 12 0.076 -3.871 -4.254 67 HD11 ILE 12 HD11 ILE 12 -3.061 -0.867 -6.179 68 HD12 ILE 12 HD12 ILE 12 -4.058 -1.370 -4.814 69 HD13 ILE 12 HD13 ILE 12 -2.330 -1.098 -4.591 70 H TYR 13 H TYR 13 1.275 -0.869 -6.149 71 HA TYR 13 HA TYR 13 3.334 -2.525 -7.343 72 HB2 TYR 13 HB2 TYR 13 3.645 -0.194 -7.667 73 HB3 TYR 13 HB3 TYR 13 3.367 0.157 -5.965 74 HD1 TYR 13 HD2 TYR 13 5.555 -2.483 -7.394 75 HD2 TYR 13 HD1 TYR 13 5.356 1.249 -5.361 76 HE1 TYR 13 HE2 TYR 13 7.977 -2.585 -6.982 77 HE2 TYR 13 HE1 TYR 13 7.778 1.159 -4.946 78 HH TYR 13 HH TYR 13 9.683 -1.679 -5.795 79 H TRP 14 H TRP 14 4.020 -4.241 -6.251 80 HA TRP 14 HA TRP 14 4.121 -4.138 -3.323 81 HB2 TRP 14 HB2 TRP 14 4.379 -6.495 -5.204 82 HB3 TRP 14 HB3 TRP 14 4.379 -6.587 -3.445 83 HD1 TRP 14 HD1 TRP 14 2.025 -5.825 -6.391 84 HE1 TRP 14 HE1 TRP 14 -0.401 -6.142 -5.593 85 HE3 TRP 14 HE3 TRP 14 2.904 -6.617 -1.417 86 HZ2 TRP 14 HZ2 TRP 14 -1.762 -6.659 -3.174 87 HZ3 TRP 14 HZ3 TRP 14 0.985 -7.013 0.071 88 HH2 TRP 14 HH2 TRP 14 -1.299 -7.033 -0.791 89 H PHE 15 H PHE 15 5.986 -3.691 -2.374 90 HA PHE 15 HA PHE 15 8.432 -3.483 -3.776 91 HB2 PHE 15 HB2 PHE 15 7.652 -3.349 -0.882 92 HB3 PHE 15 HB3 PHE 15 9.355 -3.377 -1.333 93 HD1 PHE 15 HD2 PHE 15 10.073 -1.627 -3.127 94 HD2 PHE 15 HD1 PHE 15 6.548 -1.333 -0.761 95 HE1 PHE 15 HE2 PHE 15 10.004 0.797 -3.537 96 HE2 PHE 15 HE1 PHE 15 6.473 1.092 -1.166 97 HZ PHE 15 HZ PHE 15 8.203 2.161 -2.555 98 H TYR 16 H TYR 16 9.643 -5.103 -4.474 99 HA TYR 16 HA TYR 16 10.608 -7.156 -4.681 100 HB2 TYR 16 HB2 TYR 16 10.652 -6.949 -1.662 101 HB3 TYR 16 HB3 TYR 16 11.603 -8.082 -2.616 102 HD1 TYR 16 HD2 TYR 16 13.177 -7.017 -4.406 103 HD2 TYR 16 HD1 TYR 16 11.565 -4.895 -1.089 104 HE1 TYR 16 HE2 TYR 16 14.970 -5.346 -4.611 105 HE2 TYR 16 HE1 TYR 16 13.353 -3.217 -1.286 106 HH TYR 16 HH TYR 16 16.125 -3.681 -3.029 107 H ARG 17 H ARG 17 8.302 -7.736 -5.361 108 HA ARG 17 HA ARG 17 7.578 -10.173 -3.953 109 HB2 ARG 17 HB2 ARG 17 5.942 -7.729 -3.940 110 HB3 ARG 17 HB3 ARG 17 5.075 -9.180 -4.425 111 HG2 ARG 17 HG2 ARG 17 5.722 -10.283 -2.359 112 HG3 ARG 17 HG3 ARG 17 6.646 -8.858 -1.876 113 HD2 ARG 17 HD2 ARG 17 4.716 -7.564 -1.587 114 HD3 ARG 17 HD3 ARG 17 3.721 -8.681 -2.520 115 HE ARG 17 HE ARG 17 3.378 -9.899 -0.618 116 HH11 ARG 17 HH11 ARG 17 6.120 -7.808 -0.142 117 HH12 ARG 17 HH12 ARG 17 6.280 -8.184 1.543 118 HH21 ARG 17 HH21 ARG 17 3.577 -10.402 1.598 119 HH22 ARG 17 HH22 ARG 17 4.833 -9.660 2.531 120 HA PRO 18 HA PRO 18 7.466 -10.492 -8.570 121 HB2 PRO 18 HB2 PRO 18 8.795 -12.857 -8.662 122 HB3 PRO 18 HB3 PRO 18 9.618 -11.294 -8.616 123 HG2 PRO 18 HG2 PRO 18 9.087 -13.221 -6.388 124 HG3 PRO 18 HG3 PRO 18 10.562 -12.304 -6.746 125 HD2 PRO 18 HD2 PRO 18 8.799 -11.540 -4.839 126 HD3 PRO 18 HD3 PRO 18 9.747 -10.374 -5.785 127 H SER 19 H SER 19 6.270 -12.224 -5.911 128 HA SER 19 HA SER 19 4.558 -13.844 -7.682 129 HB2 SER 19 HB2 SER 19 5.205 -14.639 -4.852 130 HB3 SER 19 HB3 SER 19 4.596 -15.643 -6.168 131 HG SER 19 HG SER 19 7.151 -15.080 -5.481 132 H CYS 20 H CYS 20 2.717 -12.691 -7.766 133 HA CYS 20 HA CYS 20 1.681 -11.050 -5.757 134 HB2 CYS 20 HB2 CYS 20 0.213 -12.492 -7.976 135 HB3 CYS 20 HB3 CYS 20 -0.445 -11.167 -7.019 136 HA PRO 21 HA PRO 21 -0.172 -13.737 -2.823 137 HB2 PRO 21 HB2 PRO 21 -2.334 -12.279 -2.066 138 HB3 PRO 21 HB3 PRO 21 -0.681 -11.857 -1.603 139 HG2 PRO 21 HG2 PRO 21 -2.378 -10.733 -3.797 140 HG3 PRO 21 HG3 PRO 21 -1.323 -9.885 -2.651 141 HD2 PRO 21 HD2 PRO 21 -0.575 -10.421 -5.197 142 HD3 PRO 21 HD3 PRO 21 0.584 -10.370 -3.852 143 H THR 22 H THR 22 -2.155 -14.937 -2.300 144 HA THR 22 HA THR 22 -3.637 -15.589 -4.745 145 HB THR 22 HB THR 22 -4.271 -17.676 -3.598 146 HG1 THR 22 HG1 THR 22 -2.431 -17.123 -1.544 147 HG21 THR 22 HG21 THR 22 -1.293 -17.286 -3.362 148 HG22 THR 22 HG22 THR 22 -2.117 -17.417 -4.916 149 HG23 THR 22 HG23 THR 22 -2.170 -18.759 -3.774 150 H ASP 23 H ASP 23 -4.023 -14.288 -1.561 151 HA ASP 23 HA ASP 23 -6.801 -14.715 -1.252 152 HB2 ASP 23 HB2 ASP 23 -5.095 -12.503 -0.090 153 HB3 ASP 23 HB3 ASP 23 -6.681 -13.002 0.490 154 H ARG 24 H ARG 24 -4.955 -12.436 -3.082 155 HA ARG 24 HA ARG 24 -7.220 -10.653 -3.471 156 HB2 ARG 24 HB2 ARG 24 -4.441 -10.568 -4.660 157 HB3 ARG 24 HB3 ARG 24 -5.662 -9.311 -4.811 158 HG2 ARG 24 HG2 ARG 24 -4.826 -10.176 -2.089 159 HG3 ARG 24 HG3 ARG 24 -3.753 -9.137 -3.028 160 HD2 ARG 24 HD2 ARG 24 -5.027 -7.598 -1.866 161 HD3 ARG 24 HD3 ARG 24 -5.883 -7.706 -3.404 162 HE ARG 24 HE ARG 24 -7.685 -8.520 -2.274 163 HH11 ARG 24 HH11 ARG 24 -4.845 -8.996 -0.318 164 HH12 ARG 24 HH12 ARG 24 -5.726 -9.597 1.047 165 HH21 ARG 24 HH21 ARG 24 -8.857 -9.308 -0.483 166 HH22 ARG 24 HH22 ARG 24 -8.008 -9.775 0.953 167 H GLY 25 H GLY 25 -7.453 -9.898 -5.888 168 HA2 GLY 25 HA2 GLY 25 -7.750 -12.355 -7.502 169 HA3 GLY 25 HA3 GLY 25 -8.873 -11.004 -7.557 170 H TYR 26 H TYR 26 -5.354 -11.493 -7.901 171 HA TYR 26 HA TYR 26 -5.308 -9.473 -10.001 172 HB2 TYR 26 HB2 TYR 26 -3.027 -11.004 -8.734 173 HB3 TYR 26 HB3 TYR 26 -2.870 -9.643 -9.839 174 HD1 TYR 26 HD2 TYR 26 -4.743 -7.688 -8.873 175 HD2 TYR 26 HD1 TYR 26 -2.289 -10.355 -6.644 176 HE1 TYR 26 HE2 TYR 26 -4.792 -6.132 -6.968 177 HE2 TYR 26 HE1 TYR 26 -2.333 -8.807 -4.732 178 HH TYR 26 HH TYR 26 -3.783 -6.997 -3.864 179 H THR 27 H THR 27 -4.992 -9.881 -12.117 180 HA THR 27 HA THR 27 -4.778 -12.705 -12.917 181 HB THR 27 HB THR 27 -5.679 -11.844 -15.143 182 HG1 THR 27 HG1 THR 27 -6.829 -9.843 -14.964 183 HG21 THR 27 HG21 THR 27 -7.777 -12.415 -14.493 184 HG22 THR 27 HG22 THR 27 -7.771 -11.304 -13.124 185 HG23 THR 27 HG23 THR 27 -6.949 -12.859 -13.001 186 H GLY 28 H GLY 28 -3.639 -9.438 -13.709 187 HA2 GLY 28 HA2 GLY 28 -1.388 -10.683 -15.165 188 HA3 GLY 28 HA3 GLY 28 -2.068 -9.114 -15.575 189 H SER 29 H SER 29 0.690 -9.942 -14.830 190 HA SER 29 HA SER 29 1.078 -7.939 -12.721 191 HB2 SER 29 HB2 SER 29 2.664 -9.305 -11.545 192 HB3 SER 29 HB3 SER 29 1.205 -10.270 -11.765 193 HG SER 29 HG SER 29 3.714 -10.732 -12.657 194 H CYS 30 H CYS 30 2.678 -6.530 -13.123 195 HA CYS 30 HA CYS 30 4.475 -7.117 -15.384 196 HB2 CYS 30 HB2 CYS 30 3.584 -4.365 -14.519 197 HB3 CYS 30 HB3 CYS 30 4.433 -4.805 -15.997 198 H ARG 31 H ARG 31 6.557 -7.235 -14.890 199 HA ARG 31 HA ARG 31 7.601 -6.947 -12.341 200 HB2 ARG 31 HB2 ARG 31 8.754 -7.152 -15.071 201 HB3 ARG 31 HB3 ARG 31 9.823 -6.587 -13.794 202 HG2 ARG 31 HG2 ARG 31 8.882 -8.692 -12.529 203 HG3 ARG 31 HG3 ARG 31 8.559 -9.247 -14.173 204 HD2 ARG 31 HD2 ARG 31 11.028 -8.505 -14.594 205 HD3 ARG 31 HD3 ARG 31 11.167 -8.655 -12.843 206 HE ARG 31 HE ARG 31 10.053 -11.004 -13.551 207 HH11 ARG 31 HH11 ARG 31 12.834 -9.262 -14.713 208 HH12 ARG 31 HH12 ARG 31 13.703 -10.691 -15.165 209 HH21 ARG 31 HH21 ARG 31 11.187 -12.892 -14.142 210 HH22 ARG 31 HH22 ARG 31 12.766 -12.755 -14.841 211 H TYR 32 H TYR 32 8.444 -5.309 -11.177 212 HA TYR 32 HA TYR 32 8.324 -2.628 -12.376 213 HB2 TYR 32 HB2 TYR 32 7.037 -3.394 -10.191 214 HB3 TYR 32 HB3 TYR 32 8.584 -3.042 -9.429 215 HD1 TYR 32 HD2 TYR 32 5.975 -1.532 -11.613 216 HD2 TYR 32 HD1 TYR 32 9.128 -0.849 -8.838 217 HE1 TYR 32 HE2 TYR 32 5.389 0.856 -11.542 218 HE2 TYR 32 HE1 TYR 32 8.550 1.540 -8.759 219 HH TYR 32 HH TYR 32 6.873 3.046 -9.258 220 H PHE 33 H PHE 33 9.918 -1.045 -11.334 221 HA PHE 33 HA PHE 33 12.513 -1.749 -12.030 222 HB2 PHE 33 HB2 PHE 33 11.402 0.588 -11.584 223 HB3 PHE 33 HB3 PHE 33 12.034 0.361 -9.958 224 HD1 PHE 33 HD1 PHE 33 12.948 0.701 -13.509 225 HD2 PHE 33 HD2 PHE 33 14.346 0.599 -9.489 226 HE1 PHE 33 HE1 PHE 33 15.143 1.525 -14.255 227 HE2 PHE 33 HE2 PHE 33 16.543 1.423 -10.229 228 HZ PHE 33 HZ PHE 33 16.944 1.888 -12.615 229 H LEU 34 H LEU 34 11.121 -1.443 -8.764 230 HA LEU 34 HA LEU 34 13.428 -2.918 -7.705 231 HB2 LEU 34 HB2 LEU 34 11.512 -0.954 -6.562 232 HB3 LEU 34 HB3 LEU 34 12.206 -2.163 -5.483 233 HG LEU 34 HG LEU 34 14.059 -0.567 -7.180 234 HD11 LEU 34 HD11 LEU 34 13.023 1.317 -6.455 235 HD12 LEU 34 HD12 LEU 34 14.019 1.002 -5.035 236 HD13 LEU 34 HD13 LEU 34 12.322 0.526 -5.043 237 HD21 LEU 34 HD21 LEU 34 14.775 -2.428 -5.667 238 HD22 LEU 34 HD22 LEU 34 14.233 -1.448 -4.305 239 HD23 LEU 34 HD23 LEU 34 15.541 -0.874 -5.339 240 H GLY 35 H GLY 35 9.878 -2.814 -7.547 241 HA2 GLY 35 HA2 GLY 35 9.940 -5.623 -6.630 242 HA3 GLY 35 HA3 GLY 35 8.675 -4.483 -6.203 243 H THR 36 H THR 36 6.880 -5.303 -7.091 244 HA THR 36 HA THR 36 6.819 -5.568 -10.003 245 HB THR 36 HB THR 36 5.501 -7.673 -8.302 246 HG1 THR 36 HG1 THR 36 7.388 -8.571 -8.028 247 HG21 THR 36 HG21 THR 36 6.194 -8.749 -10.737 248 HG22 THR 36 HG22 THR 36 5.769 -7.088 -11.150 249 HG23 THR 36 HG23 THR 36 4.606 -8.113 -10.311 250 H CYS 37 H CYS 37 4.653 -5.511 -10.895 251 HA CYS 37 HA CYS 37 2.769 -4.112 -9.114 252 HB2 CYS 37 HB2 CYS 37 3.682 -2.746 -10.978 253 HB3 CYS 37 HB3 CYS 37 2.998 -3.897 -12.122 254 H CYS 38 H CYS 38 1.118 -5.344 -8.526 255 HA CYS 38 HA CYS 38 0.228 -7.502 -10.295 256 HB2 CYS 38 HB2 CYS 38 -0.383 -6.939 -7.386 257 HB3 CYS 38 HB3 CYS 38 -1.023 -8.303 -8.298 258 H THR 39 H THR 39 -1.520 -7.258 -11.505 259 HA THR 39 HA THR 39 -3.514 -5.238 -10.706 260 HB THR 39 HB THR 39 -4.026 -5.396 -13.311 261 HG1 THR 39 HG1 THR 39 -1.276 -6.093 -13.058 262 HG21 THR 39 HG21 THR 39 -2.723 -3.392 -13.633 263 HG22 THR 39 HG22 THR 39 -1.704 -3.786 -12.247 264 HG23 THR 39 HG23 THR 39 -3.402 -3.373 -12.005 265 HA PRO 40 HA PRO 40 -5.423 -4.624 -12.135 266 HB2 PRO 40 HB2 PRO 40 -7.873 -4.409 -10.988 267 HB3 PRO 40 HB3 PRO 40 -7.632 -5.003 -12.636 268 HG2 PRO 40 HG2 PRO 40 -8.075 -6.548 -10.111 269 HG3 PRO 40 HG3 PRO 40 -8.778 -6.806 -11.718 270 HD2 PRO 40 HD2 PRO 40 -6.704 -8.273 -10.782 271 HD3 PRO 40 HD3 PRO 40 -6.900 -7.888 -12.504 272 H ALA 41 H ALA 41 -6.095 -2.786 -10.624 273 HA ALA 41 HA ALA 41 -4.536 -2.995 -8.226 274 HB1 ALA 41 HB1 ALA 41 -5.881 -0.580 -8.099 275 HB2 ALA 41 HB2 ALA 41 -4.275 -0.853 -8.777 276 HB3 ALA 41 HB3 ALA 41 -5.691 -0.875 -9.828 277 H ASP 42 H ASP 42 -5.339 -4.056 -6.528 278 HA ASP 42 HA ASP 42 -8.084 -3.413 -5.674 279 HB2 ASP 42 HB2 ASP 42 -7.943 -5.712 -6.586 280 HB3 ASP 42 HB3 ASP 42 -6.706 -6.092 -5.391 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -0.071 0.625 -0.645 2 HA2 GLY 1 HA2 GLY 1 2.639 0.344 -0.929 3 HA3 GLY 1 HA3 GLY 1 1.965 -0.665 -2.201 4 H THR 2 H THR 2 2.992 0.734 -3.728 5 HA THR 2 HA THR 2 1.860 3.429 -3.945 6 HB THR 2 HB THR 2 3.952 2.426 -5.827 7 HG1 THR 2 HG1 THR 2 4.427 3.233 -3.132 8 HG21 THR 2 HG21 THR 2 3.769 4.581 -6.403 9 HG22 THR 2 HG22 THR 2 4.600 4.950 -4.891 10 HG23 THR 2 HG23 THR 2 2.838 4.965 -4.955 11 H ALA 3 H ALA 3 1.326 4.188 -6.177 12 HA ALA 3 HA ALA 3 -0.382 2.211 -7.463 13 HB1 ALA 3 HB1 ALA 3 -1.331 4.391 -6.923 14 HB2 ALA 3 HB2 ALA 3 -0.127 5.177 -7.946 15 HB3 ALA 3 HB3 ALA 3 -1.335 4.114 -8.666 16 H CYS 4 H CYS 4 0.130 1.189 -9.282 17 HA CYS 4 HA CYS 4 2.232 2.337 -10.998 18 HB2 CYS 4 HB2 CYS 4 2.844 -0.076 -11.521 19 HB3 CYS 4 HB3 CYS 4 3.278 0.504 -9.916 20 H SER 5 H SER 5 2.203 1.267 -13.229 21 HA SER 5 HA SER 5 -0.529 0.620 -14.083 22 HB2 SER 5 HB2 SER 5 0.462 2.147 -16.178 23 HB3 SER 5 HB3 SER 5 -0.734 2.669 -14.991 24 HG SER 5 HG SER 5 0.871 4.159 -14.899 25 H CYS 6 H CYS 6 -0.684 -0.748 -15.834 26 HA CYS 6 HA CYS 6 1.841 -2.007 -16.656 27 HB2 CYS 6 HB2 CYS 6 -0.930 -3.007 -16.239 28 HB3 CYS 6 HB3 CYS 6 0.023 -3.772 -17.508 29 H GLY 7 H GLY 7 -0.617 0.023 -17.763 30 HA2 GLY 7 HA2 GLY 7 0.435 0.567 -20.226 31 HA3 GLY 7 HA3 GLY 7 -0.629 -0.801 -20.513 32 H ASN 8 H ASN 8 -2.887 -0.512 -19.531 33 HA ASN 8 HA ASN 8 -3.761 2.283 -19.817 34 HB2 ASN 8 HB2 ASN 8 -4.182 0.709 -21.845 35 HB3 ASN 8 HB3 ASN 8 -5.443 0.011 -20.833 36 HD21 ASN 8 HD21 ASN 8 -7.098 0.694 -22.150 37 HD22 ASN 8 HD22 ASN 8 -7.561 2.352 -22.286 38 H SER 9 H SER 9 -3.273 0.449 -17.497 39 HA SER 9 HA SER 9 -5.774 1.010 -16.128 40 HB2 SER 9 HB2 SER 9 -5.828 -1.375 -17.126 41 HB3 SER 9 HB3 SER 9 -4.637 -1.768 -15.886 42 HG SER 9 HG SER 9 -7.038 -2.001 -15.439 43 H LYS 10 H LYS 10 -5.556 0.441 -13.738 44 HA LYS 10 HA LYS 10 -2.851 1.196 -12.868 45 HB2 LYS 10 HB2 LYS 10 -5.485 1.483 -11.409 46 HB3 LYS 10 HB3 LYS 10 -3.921 2.034 -10.823 47 HG2 LYS 10 HG2 LYS 10 -3.789 3.731 -12.434 48 HG3 LYS 10 HG3 LYS 10 -5.081 3.023 -13.406 49 HD2 LYS 10 HD2 LYS 10 -6.158 4.783 -12.353 50 HD3 LYS 10 HD3 LYS 10 -6.540 3.421 -11.296 51 HE2 LYS 10 HE2 LYS 10 -4.792 4.067 -9.764 52 HE3 LYS 10 HE3 LYS 10 -4.264 5.349 -10.853 53 HZ1 LYS 10 HZ1 LYS 10 -5.680 6.086 -8.954 54 HZ2 LYS 10 HZ2 LYS 10 -6.973 5.251 -9.653 55 HZ3 LYS 10 HZ3 LYS 10 -6.258 6.543 -10.477 56 H GLY 11 H GLY 11 -1.919 0.189 -11.030 57 HA2 GLY 11 HA2 GLY 11 -3.214 -2.262 -10.076 58 HA3 GLY 11 HA3 GLY 11 -1.635 -2.404 -10.834 59 H ILE 12 H ILE 12 -1.443 -3.382 -8.522 60 HA ILE 12 HA ILE 12 -0.713 -1.264 -6.616 61 HB ILE 12 HB ILE 12 -1.208 -4.201 -6.110 62 HG12 ILE 12 HG12 ILE 12 -3.268 -3.002 -6.610 63 HG13 ILE 12 HG13 ILE 12 -3.207 -3.393 -4.895 64 HG21 ILE 12 HG21 ILE 12 0.220 -3.731 -4.406 65 HG22 ILE 12 HG22 ILE 12 -0.143 -2.006 -4.429 66 HG23 ILE 12 HG23 ILE 12 -1.270 -3.133 -3.676 67 HD11 ILE 12 HD11 ILE 12 -3.997 -1.211 -4.958 68 HD12 ILE 12 HD12 ILE 12 -2.281 -1.026 -4.593 69 HD13 ILE 12 HD13 ILE 12 -2.871 -0.739 -6.230 70 H TYR 13 H TYR 13 1.362 -0.863 -6.245 71 HA TYR 13 HA TYR 13 3.384 -2.576 -7.424 72 HB2 TYR 13 HB2 TYR 13 3.747 -0.256 -7.779 73 HB3 TYR 13 HB3 TYR 13 3.472 0.124 -6.083 74 HD1 TYR 13 HD1 TYR 13 5.607 -2.582 -7.465 75 HD2 TYR 13 HD2 TYR 13 5.482 1.184 -5.488 76 HE1 TYR 13 HE1 TYR 13 8.026 -2.728 -7.046 77 HE2 TYR 13 HE2 TYR 13 7.901 1.049 -5.065 78 HH TYR 13 HH TYR 13 9.844 -0.046 -5.823 79 H TRP 14 H TRP 14 4.056 -4.284 -6.314 80 HA TRP 14 HA TRP 14 4.149 -4.152 -3.388 81 HB2 TRP 14 HB2 TRP 14 4.373 -6.532 -5.244 82 HB3 TRP 14 HB3 TRP 14 4.372 -6.607 -3.484 83 HD1 TRP 14 HD1 TRP 14 2.028 -5.802 -6.431 84 HE1 TRP 14 HE1 TRP 14 -0.403 -6.089 -5.632 85 HE3 TRP 14 HE3 TRP 14 2.900 -6.644 -1.465 86 HZ2 TRP 14 HZ2 TRP 14 -1.768 -6.604 -3.216 87 HZ3 TRP 14 HZ3 TRP 14 0.977 -7.024 0.023 88 HH2 TRP 14 HH2 TRP 14 -1.308 -7.003 -0.837 89 H PHE 15 H PHE 15 6.018 -3.737 -2.432 90 HA PHE 15 HA PHE 15 8.470 -3.576 -3.832 91 HB2 PHE 15 HB2 PHE 15 7.677 -3.391 -0.948 92 HB3 PHE 15 HB3 PHE 15 9.382 -3.472 -1.378 93 HD1 PHE 15 HD1 PHE 15 10.156 -1.771 -3.207 94 HD2 PHE 15 HD2 PHE 15 6.642 -1.339 -0.843 95 HE1 PHE 15 HE1 PHE 15 10.160 0.649 -3.650 96 HE2 PHE 15 HE2 PHE 15 6.640 1.082 -1.283 97 HZ PHE 15 HZ PHE 15 8.400 2.079 -2.688 98 H TYR 16 H TYR 16 9.659 -5.221 -4.509 99 HA TYR 16 HA TYR 16 10.601 -7.287 -4.689 100 HB2 TYR 16 HB2 TYR 16 10.631 -6.968 -1.683 101 HB3 TYR 16 HB3 TYR 16 11.483 -8.245 -2.545 102 HD1 TYR 16 HD2 TYR 16 11.237 -4.545 -2.256 103 HD2 TYR 16 HD1 TYR 16 13.637 -7.875 -3.378 104 HE1 TYR 16 HE2 TYR 16 13.165 -3.047 -2.556 105 HE2 TYR 16 HE1 TYR 16 15.572 -6.386 -3.679 106 HH TYR 16 HH TYR 16 15.421 -2.979 -2.812 107 H ARG 17 H ARG 17 8.297 -7.836 -5.396 108 HA ARG 17 HA ARG 17 7.518 -10.255 -3.987 109 HB2 ARG 17 HB2 ARG 17 5.914 -7.786 -4.011 110 HB3 ARG 17 HB3 ARG 17 5.035 -9.236 -4.480 111 HG2 ARG 17 HG2 ARG 17 5.727 -10.317 -2.389 112 HG3 ARG 17 HG3 ARG 17 6.562 -8.836 -1.916 113 HD2 ARG 17 HD2 ARG 17 4.605 -7.690 -1.548 114 HD3 ARG 17 HD3 ARG 17 3.687 -8.683 -2.680 115 HE ARG 17 HE ARG 17 3.160 -10.072 -0.950 116 HH11 ARG 17 HH11 ARG 17 5.950 -8.191 -0.057 117 HH12 ARG 17 HH12 ARG 17 5.989 -8.781 1.571 118 HH21 ARG 17 HH21 ARG 17 3.201 -10.856 1.192 119 HH22 ARG 17 HH22 ARG 17 4.425 -10.298 2.280 120 HA PRO 18 HA PRO 18 7.447 -10.583 -8.606 121 HB2 PRO 18 HB2 PRO 18 8.746 -12.966 -8.679 122 HB3 PRO 18 HB3 PRO 18 9.590 -11.414 -8.629 123 HG2 PRO 18 HG2 PRO 18 9.012 -13.328 -6.401 124 HG3 PRO 18 HG3 PRO 18 10.502 -12.432 -6.748 125 HD2 PRO 18 HD2 PRO 18 8.732 -11.639 -4.859 126 HD3 PRO 18 HD3 PRO 18 9.704 -10.489 -5.799 127 H SER 19 H SER 19 6.198 -12.285 -5.955 128 HA SER 19 HA SER 19 4.467 -13.869 -7.738 129 HB2 SER 19 HB2 SER 19 5.145 -14.714 -4.927 130 HB3 SER 19 HB3 SER 19 4.474 -15.688 -6.235 131 HG SER 19 HG SER 19 6.466 -16.216 -6.615 132 H CYS 20 H CYS 20 2.649 -12.675 -7.791 133 HA CYS 20 HA CYS 20 1.645 -11.038 -5.779 134 HB2 CYS 20 HB2 CYS 20 0.147 -12.503 -7.962 135 HB3 CYS 20 HB3 CYS 20 -0.520 -11.194 -6.991 136 HA PRO 21 HA PRO 21 -0.152 -13.676 -2.767 137 HB2 PRO 21 HB2 PRO 21 -2.300 -12.208 -1.993 138 HB3 PRO 21 HB3 PRO 21 -0.639 -11.777 -1.569 139 HG2 PRO 21 HG2 PRO 21 -2.380 -10.691 -3.748 140 HG3 PRO 21 HG3 PRO 21 -1.305 -9.822 -2.637 141 HD2 PRO 21 HD2 PRO 21 -0.604 -10.399 -5.188 142 HD3 PRO 21 HD3 PRO 21 0.579 -10.324 -3.867 143 H THR 22 H THR 22 -1.870 -15.110 -2.356 144 HA THR 22 HA THR 22 -3.495 -15.694 -4.702 145 HB THR 22 HB THR 22 -4.096 -17.783 -3.419 146 HG1 THR 22 HG1 THR 22 -2.581 -18.201 -1.633 147 HG21 THR 22 HG21 THR 22 -1.115 -17.498 -3.662 148 HG22 THR 22 HG22 THR 22 -2.158 -17.496 -5.084 149 HG23 THR 22 HG23 THR 22 -2.125 -18.899 -4.018 150 H ASP 23 H ASP 23 -3.819 -14.426 -1.503 151 HA ASP 23 HA ASP 23 -6.570 -14.941 -1.102 152 HB2 ASP 23 HB2 ASP 23 -4.663 -12.911 0.046 153 HB3 ASP 23 HB3 ASP 23 -6.365 -12.939 0.498 154 H ARG 24 H ARG 24 -4.864 -12.614 -2.999 155 HA ARG 24 HA ARG 24 -7.189 -10.891 -3.298 156 HB2 ARG 24 HB2 ARG 24 -4.462 -10.737 -4.596 157 HB3 ARG 24 HB3 ARG 24 -5.720 -9.513 -4.704 158 HG2 ARG 24 HG2 ARG 24 -4.763 -10.343 -2.013 159 HG3 ARG 24 HG3 ARG 24 -3.746 -9.287 -2.996 160 HD2 ARG 24 HD2 ARG 24 -5.044 -7.820 -1.715 161 HD3 ARG 24 HD3 ARG 24 -5.837 -7.849 -3.290 162 HE ARG 24 HE ARG 24 -7.683 -8.733 -2.285 163 HH11 ARG 24 HH11 ARG 24 -4.936 -9.228 -0.205 164 HH12 ARG 24 HH12 ARG 24 -5.877 -9.868 1.102 165 HH21 ARG 24 HH21 ARG 24 -8.933 -9.575 -0.572 166 HH22 ARG 24 HH22 ARG 24 -8.149 -10.067 0.892 167 H GLY 25 H GLY 25 -7.481 -10.136 -5.732 168 HA2 GLY 25 HA2 GLY 25 -7.755 -12.601 -7.340 169 HA3 GLY 25 HA3 GLY 25 -8.967 -11.329 -7.315 170 H TYR 26 H TYR 26 -5.458 -11.629 -7.887 171 HA TYR 26 HA TYR 26 -5.621 -9.535 -9.903 172 HB2 TYR 26 HB2 TYR 26 -3.236 -11.055 -8.827 173 HB3 TYR 26 HB3 TYR 26 -3.157 -9.702 -9.949 174 HD1 TYR 26 HD1 TYR 26 -4.756 -7.637 -8.978 175 HD2 TYR 26 HD2 TYR 26 -2.583 -10.496 -6.697 176 HE1 TYR 26 HE1 TYR 26 -4.690 -6.067 -7.087 177 HE2 TYR 26 HE2 TYR 26 -2.512 -8.934 -4.798 178 HH TYR 26 HH TYR 26 -3.024 -5.767 -5.003 179 H THR 27 H THR 27 -5.212 -9.810 -12.064 180 HA THR 27 HA THR 27 -5.293 -12.586 -13.020 181 HB THR 27 HB THR 27 -5.909 -11.445 -15.240 182 HG1 THR 27 HG1 THR 27 -5.746 -9.333 -15.098 183 HG21 THR 27 HG21 THR 27 -8.145 -11.687 -14.760 184 HG22 THR 27 HG22 THR 27 -8.003 -10.902 -13.187 185 HG23 THR 27 HG23 THR 27 -7.434 -12.557 -13.401 186 H GLY 28 H GLY 28 -3.763 -9.459 -13.797 187 HA2 GLY 28 HA2 GLY 28 -1.479 -10.987 -14.884 188 HA3 GLY 28 HA3 GLY 28 -2.074 -9.520 -15.648 189 H SER 29 H SER 29 0.590 -9.904 -14.809 190 HA SER 29 HA SER 29 0.821 -7.658 -12.967 191 HB2 SER 29 HB2 SER 29 2.376 -8.779 -11.487 192 HB3 SER 29 HB3 SER 29 0.890 -9.725 -11.561 193 HG SER 29 HG SER 29 3.427 -10.301 -12.567 194 H CYS 30 H CYS 30 2.657 -6.439 -13.259 195 HA CYS 30 HA CYS 30 4.461 -7.315 -15.421 196 HB2 CYS 30 HB2 CYS 30 3.715 -4.450 -14.821 197 HB3 CYS 30 HB3 CYS 30 4.601 -5.058 -16.215 198 H ARG 31 H ARG 31 6.551 -7.411 -14.923 199 HA ARG 31 HA ARG 31 7.551 -7.091 -12.364 200 HB2 ARG 31 HB2 ARG 31 8.682 -7.501 -15.041 201 HB3 ARG 31 HB3 ARG 31 9.774 -6.697 -13.923 202 HG2 ARG 31 HG2 ARG 31 8.362 -9.124 -12.968 203 HG3 ARG 31 HG3 ARG 31 9.668 -9.327 -14.137 204 HD2 ARG 31 HD2 ARG 31 9.868 -7.881 -11.497 205 HD3 ARG 31 HD3 ARG 31 10.479 -9.500 -11.833 206 HE ARG 31 HE ARG 31 11.582 -7.691 -13.680 207 HH11 ARG 31 HH11 ARG 31 11.737 -8.519 -10.302 208 HH12 ARG 31 HH12 ARG 31 13.374 -7.985 -10.111 209 HH21 ARG 31 HH21 ARG 31 13.738 -6.984 -13.443 210 HH22 ARG 31 HH22 ARG 31 14.511 -7.111 -11.898 211 H TYR 32 H TYR 32 8.478 -5.462 -11.227 212 HA TYR 32 HA TYR 32 8.379 -2.789 -12.452 213 HB2 TYR 32 HB2 TYR 32 7.070 -3.513 -10.266 214 HB3 TYR 32 HB3 TYR 32 8.616 -3.168 -9.498 215 HD1 TYR 32 HD1 TYR 32 6.076 -1.648 -11.763 216 HD2 TYR 32 HD2 TYR 32 9.146 -0.984 -8.893 217 HE1 TYR 32 HE1 TYR 32 5.518 0.748 -11.728 218 HE2 TYR 32 HE2 TYR 32 8.595 1.412 -8.849 219 HH TYR 32 HH TYR 32 7.522 3.080 -10.229 220 H PHE 33 H PHE 33 9.985 -1.220 -11.378 221 HA PHE 33 HA PHE 33 12.574 -1.951 -12.068 222 HB2 PHE 33 HB2 PHE 33 11.490 0.397 -11.611 223 HB3 PHE 33 HB3 PHE 33 12.115 0.150 -9.983 224 HD1 PHE 33 HD1 PHE 33 13.061 0.451 -13.537 225 HD2 PHE 33 HD2 PHE 33 14.410 0.409 -9.500 226 HE1 PHE 33 HE1 PHE 33 15.268 1.251 -14.271 227 HE2 PHE 33 HE2 PHE 33 16.620 1.211 -10.227 228 HZ PHE 33 HZ PHE 33 17.051 1.633 -12.615 229 H LEU 34 H LEU 34 11.218 -1.587 -8.791 230 HA LEU 34 HA LEU 34 13.487 -3.119 -7.739 231 HB2 LEU 34 HB2 LEU 34 11.608 -1.119 -6.607 232 HB3 LEU 34 HB3 LEU 34 12.241 -2.354 -5.521 233 HG LEU 34 HG LEU 34 14.172 -0.802 -7.173 234 HD11 LEU 34 HD11 LEU 34 12.855 0.263 -4.680 235 HD12 LEU 34 HD12 LEU 34 12.679 0.917 -6.307 236 HD13 LEU 34 HD13 LEU 34 14.245 0.972 -5.500 237 HD21 LEU 34 HD21 LEU 34 15.627 -1.779 -5.812 238 HD22 LEU 34 HD22 LEU 34 14.293 -2.688 -5.104 239 HD23 LEU 34 HD23 LEU 34 14.789 -1.152 -4.392 240 H GLY 35 H GLY 35 9.937 -2.972 -7.580 241 HA2 GLY 35 HA2 GLY 35 9.966 -5.786 -6.680 242 HA3 GLY 35 HA3 GLY 35 8.714 -4.632 -6.244 243 H THR 36 H THR 36 6.914 -5.443 -7.132 244 HA THR 36 HA THR 36 6.847 -5.691 -10.046 245 HB THR 36 HB THR 36 5.504 -7.779 -8.341 246 HG1 THR 36 HG1 THR 36 7.399 -8.661 -8.062 247 HG21 THR 36 HG21 THR 36 6.104 -8.894 -10.755 248 HG22 THR 36 HG22 THR 36 5.808 -7.216 -11.208 249 HG23 THR 36 HG23 THR 36 4.565 -8.132 -10.358 250 H CYS 37 H CYS 37 4.669 -5.628 -10.931 251 HA CYS 37 HA CYS 37 2.813 -4.185 -9.155 252 HB2 CYS 37 HB2 CYS 37 3.737 -2.843 -11.030 253 HB3 CYS 37 HB3 CYS 37 3.037 -3.993 -12.166 254 H CYS 38 H CYS 38 1.099 -5.329 -8.584 255 HA CYS 38 HA CYS 38 0.196 -7.521 -10.309 256 HB2 CYS 38 HB2 CYS 38 -0.422 -6.880 -7.418 257 HB3 CYS 38 HB3 CYS 38 -1.102 -8.241 -8.303 258 H THR 39 H THR 39 -1.548 -7.287 -11.529 259 HA THR 39 HA THR 39 -3.516 -5.220 -10.790 260 HB THR 39 HB THR 39 -3.987 -5.368 -13.397 261 HG1 THR 39 HG1 THR 39 -1.272 -6.170 -13.099 262 HG21 THR 39 HG21 THR 39 -3.330 -3.355 -12.098 263 HG22 THR 39 HG22 THR 39 -2.613 -3.405 -13.709 264 HG23 THR 39 HG23 THR 39 -1.640 -3.819 -12.298 265 HA PRO 40 HA PRO 40 -5.393 -4.586 -12.245 266 HB2 PRO 40 HB2 PRO 40 -7.859 -4.341 -11.136 267 HB3 PRO 40 HB3 PRO 40 -7.600 -4.939 -12.779 268 HG2 PRO 40 HG2 PRO 40 -8.099 -6.478 -10.260 269 HG3 PRO 40 HG3 PRO 40 -8.781 -6.728 -11.878 270 HD2 PRO 40 HD2 PRO 40 -6.739 -8.220 -10.909 271 HD3 PRO 40 HD3 PRO 40 -6.904 -7.832 -12.634 272 H ALA 41 H ALA 41 -6.022 -2.732 -10.758 273 HA ALA 41 HA ALA 41 -4.508 -2.950 -8.342 274 HB1 ALA 41 HB1 ALA 41 -5.886 -0.538 -8.242 275 HB2 ALA 41 HB2 ALA 41 -4.252 -0.800 -8.851 276 HB3 ALA 41 HB3 ALA 41 -5.623 -0.833 -9.960 277 H ASP 42 H ASP 42 -5.305 -3.976 -6.625 278 HA ASP 42 HA ASP 42 -8.150 -4.030 -6.092 279 HB2 ASP 42 HB2 ASP 42 -6.673 -6.027 -5.763 280 HB3 ASP 42 HB3 ASP 42 -5.899 -5.174 -4.428 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.100 -1.375 -1.795 2 HA2 GLY 1 HA2 GLY 1 2.089 0.379 -0.596 3 HA3 GLY 1 HA3 GLY 1 2.301 -0.614 -2.031 4 H THR 2 H THR 2 2.957 0.784 -3.550 5 HA THR 2 HA THR 2 1.656 3.383 -3.793 6 HB THR 2 HB THR 2 3.803 2.464 -5.664 7 HG1 THR 2 HG1 THR 2 5.238 3.431 -3.921 8 HG21 THR 2 HG21 THR 2 4.482 4.897 -5.277 9 HG22 THR 2 HG22 THR 2 2.932 5.077 -4.455 10 HG23 THR 2 HG23 THR 2 2.979 4.615 -6.156 11 H ALA 3 H ALA 3 1.083 4.148 -6.008 12 HA ALA 3 HA ALA 3 -0.534 2.116 -7.324 13 HB1 ALA 3 HB1 ALA 3 -1.587 4.235 -6.754 14 HB2 ALA 3 HB2 ALA 3 -0.417 5.099 -7.751 15 HB3 ALA 3 HB3 ALA 3 -1.570 3.995 -8.500 16 H CYS 4 H CYS 4 0.131 1.080 -9.078 17 HA CYS 4 HA CYS 4 2.157 2.365 -10.791 18 HB2 CYS 4 HB2 CYS 4 2.852 -0.011 -11.362 19 HB3 CYS 4 HB3 CYS 4 3.243 0.536 -9.735 20 H SER 5 H SER 5 2.181 1.336 -13.046 21 HA SER 5 HA SER 5 -0.530 0.653 -13.939 22 HB2 SER 5 HB2 SER 5 0.558 2.239 -15.985 23 HB3 SER 5 HB3 SER 5 -0.773 2.660 -14.907 24 HG SER 5 HG SER 5 1.987 3.195 -14.534 25 H CYS 6 H CYS 6 -0.638 -0.794 -15.596 26 HA CYS 6 HA CYS 6 1.884 -2.050 -16.367 27 HB2 CYS 6 HB2 CYS 6 -0.958 -2.920 -16.227 28 HB3 CYS 6 HB3 CYS 6 0.059 -3.681 -17.446 29 H GLY 7 H GLY 7 -0.678 -0.125 -17.670 30 HA2 GLY 7 HA2 GLY 7 0.690 0.605 -19.976 31 HA3 GLY 7 HA3 GLY 7 -0.329 -0.758 -20.413 32 H ASN 8 H ASN 8 -2.648 -0.424 -19.244 33 HA ASN 8 HA ASN 8 -3.517 2.340 -19.680 34 HB2 ASN 8 HB2 ASN 8 -4.380 -0.074 -21.206 35 HB3 ASN 8 HB3 ASN 8 -5.601 1.135 -20.818 36 HD21 ASN 8 HD21 ASN 8 -3.728 0.178 -23.205 37 HD22 ASN 8 HD22 ASN 8 -3.381 1.679 -23.986 38 H SER 9 H SER 9 -3.156 0.488 -17.353 39 HA SER 9 HA SER 9 -5.732 1.030 -16.121 40 HB2 SER 9 HB2 SER 9 -5.723 -1.345 -17.141 41 HB3 SER 9 HB3 SER 9 -4.601 -1.747 -15.842 42 HG SER 9 HG SER 9 -6.264 -1.893 -14.586 43 H LYS 10 H LYS 10 -5.647 0.448 -13.729 44 HA LYS 10 HA LYS 10 -3.035 1.292 -12.697 45 HB2 LYS 10 HB2 LYS 10 -5.769 1.306 -11.406 46 HB3 LYS 10 HB3 LYS 10 -4.291 1.852 -10.627 47 HG2 LYS 10 HG2 LYS 10 -4.119 3.729 -11.972 48 HG3 LYS 10 HG3 LYS 10 -5.168 3.053 -13.219 49 HD2 LYS 10 HD2 LYS 10 -6.649 4.491 -12.258 50 HD3 LYS 10 HD3 LYS 10 -6.917 3.090 -11.217 51 HE2 LYS 10 HE2 LYS 10 -5.883 4.049 -9.431 52 HE3 LYS 10 HE3 LYS 10 -4.759 4.964 -10.435 53 HZ1 LYS 10 HZ1 LYS 10 -6.883 6.011 -9.156 54 HZ2 LYS 10 HZ2 LYS 10 -7.516 5.769 -10.706 55 HZ3 LYS 10 HZ3 LYS 10 -6.128 6.714 -10.497 56 H GLY 11 H GLY 11 -2.082 0.257 -10.893 57 HA2 GLY 11 HA2 GLY 11 -3.210 -2.310 -10.061 58 HA3 GLY 11 HA3 GLY 11 -1.642 -2.345 -10.856 59 H ILE 12 H ILE 12 -1.676 -3.392 -8.430 60 HA ILE 12 HA ILE 12 -0.860 -1.315 -6.530 61 HB ILE 12 HB ILE 12 -1.336 -4.264 -6.083 62 HG12 ILE 12 HG12 ILE 12 -3.407 -3.080 -6.564 63 HG13 ILE 12 HG13 ILE 12 -3.344 -3.489 -4.852 64 HG21 ILE 12 HG21 ILE 12 -1.314 -3.524 -3.651 65 HG22 ILE 12 HG22 ILE 12 0.242 -3.591 -4.476 66 HG23 ILE 12 HG23 ILE 12 -0.555 -2.038 -4.223 67 HD11 ILE 12 HD11 ILE 12 -2.203 -0.940 -5.092 68 HD12 ILE 12 HD12 ILE 12 -3.657 -0.938 -6.091 69 HD13 ILE 12 HD13 ILE 12 -3.759 -1.373 -4.384 70 H TYR 13 H TYR 13 1.212 -0.905 -6.163 71 HA TYR 13 HA TYR 13 3.242 -2.596 -7.360 72 HB2 TYR 13 HB2 TYR 13 3.610 -0.285 -7.709 73 HB3 TYR 13 HB3 TYR 13 3.301 0.102 -6.021 74 HD1 TYR 13 HD1 TYR 13 5.496 -2.563 -7.401 75 HD2 TYR 13 HD2 TYR 13 5.279 1.154 -5.342 76 HE1 TYR 13 HE1 TYR 13 7.909 -2.685 -6.938 77 HE2 TYR 13 HE2 TYR 13 7.691 1.042 -4.874 78 HH TYR 13 HH TYR 13 9.520 -1.777 -5.316 79 H TRP 14 H TRP 14 3.897 -4.317 -6.255 80 HA TRP 14 HA TRP 14 3.974 -4.219 -3.331 81 HB2 TRP 14 HB2 TRP 14 4.272 -6.544 -5.245 82 HB3 TRP 14 HB3 TRP 14 4.315 -6.673 -3.488 83 HD1 TRP 14 HD1 TRP 14 1.879 -5.888 -6.361 84 HE1 TRP 14 HE1 TRP 14 -0.522 -6.274 -5.516 85 HE3 TRP 14 HE3 TRP 14 2.889 -6.786 -1.430 86 HZ2 TRP 14 HZ2 TRP 14 -1.815 -6.878 -3.081 87 HZ3 TRP 14 HZ3 TRP 14 1.014 -7.259 0.090 88 HH2 TRP 14 HH2 TRP 14 -1.289 -7.303 -0.720 89 H PHE 15 H PHE 15 5.813 -3.956 -2.254 90 HA PHE 15 HA PHE 15 8.287 -3.603 -3.620 91 HB2 PHE 15 HB2 PHE 15 7.380 -3.495 -0.780 92 HB3 PHE 15 HB3 PHE 15 9.105 -3.651 -1.093 93 HD1 PHE 15 HD2 PHE 15 9.915 -1.977 -3.065 94 HD2 PHE 15 HD1 PHE 15 6.611 -1.371 -0.450 95 HE1 PHE 15 HE2 PHE 15 10.065 0.449 -3.444 96 HE2 PHE 15 HE1 PHE 15 6.755 1.056 -0.826 97 HZ PHE 15 HZ PHE 15 8.485 1.969 -2.323 98 H TYR 16 H TYR 16 9.495 -5.205 -4.370 99 HA TYR 16 HA TYR 16 10.515 -7.225 -4.608 100 HB2 TYR 16 HB2 TYR 16 10.457 -7.061 -1.590 101 HB3 TYR 16 HB3 TYR 16 11.373 -8.262 -2.495 102 HD1 TYR 16 HD1 TYR 16 10.996 -4.592 -2.019 103 HD2 TYR 16 HD2 TYR 16 13.535 -7.778 -3.244 104 HE1 TYR 16 HE1 TYR 16 12.880 -3.019 -2.182 105 HE2 TYR 16 HE2 TYR 16 15.426 -6.215 -3.411 106 HH TYR 16 HH TYR 16 15.109 -2.834 -2.431 107 H ARG 17 H ARG 17 8.210 -7.763 -5.380 108 HA ARG 17 HA ARG 17 7.481 -10.288 -4.146 109 HB2 ARG 17 HB2 ARG 17 5.850 -7.864 -3.943 110 HB3 ARG 17 HB3 ARG 17 4.979 -9.241 -4.608 111 HG2 ARG 17 HG2 ARG 17 4.742 -10.113 -2.591 112 HG3 ARG 17 HG3 ARG 17 6.488 -10.088 -2.336 113 HD2 ARG 17 HD2 ARG 17 6.220 -7.631 -1.759 114 HD3 ARG 17 HD3 ARG 17 4.483 -7.935 -1.713 115 HE ARG 17 HE ARG 17 5.545 -9.834 -0.071 116 HH11 ARG 17 HH11 ARG 17 5.706 -6.361 -0.237 117 HH12 ARG 17 HH12 ARG 17 5.899 -6.158 1.473 118 HH21 ARG 17 HH21 ARG 17 5.799 -9.581 2.181 119 HH22 ARG 17 HH22 ARG 17 5.953 -7.990 2.848 120 HA PRO 18 HA PRO 18 7.435 -10.323 -8.768 121 HB2 PRO 18 HB2 PRO 18 8.723 -12.703 -8.982 122 HB3 PRO 18 HB3 PRO 18 9.573 -11.162 -8.822 123 HG2 PRO 18 HG2 PRO 18 8.962 -13.213 -6.730 124 HG3 PRO 18 HG3 PRO 18 10.460 -12.304 -7.001 125 HD2 PRO 18 HD2 PRO 18 8.671 -11.626 -5.084 126 HD3 PRO 18 HD3 PRO 18 9.658 -10.422 -5.937 127 H SER 19 H SER 19 6.198 -12.249 -6.246 128 HA SER 19 HA SER 19 4.452 -13.669 -8.148 129 HB2 SER 19 HB2 SER 19 5.740 -14.638 -5.607 130 HB3 SER 19 HB3 SER 19 4.267 -15.391 -6.218 131 HG SER 19 HG SER 19 5.525 -16.472 -7.492 132 H CYS 20 H CYS 20 2.549 -12.662 -8.094 133 HA CYS 20 HA CYS 20 1.546 -11.045 -6.086 134 HB2 CYS 20 HB2 CYS 20 0.090 -12.679 -8.170 135 HB3 CYS 20 HB3 CYS 20 -0.704 -11.493 -7.140 136 HA PRO 21 HA PRO 21 0.107 -13.651 -2.861 137 HB2 PRO 21 HB2 PRO 21 -2.108 -12.313 -2.038 138 HB3 PRO 21 HB3 PRO 21 -0.467 -11.737 -1.727 139 HG2 PRO 21 HG2 PRO 21 -2.398 -10.898 -3.855 140 HG3 PRO 21 HG3 PRO 21 -1.339 -9.894 -2.847 141 HD2 PRO 21 HD2 PRO 21 -0.729 -10.547 -5.403 142 HD3 PRO 21 HD3 PRO 21 0.512 -10.314 -4.155 143 H THR 22 H THR 22 -1.881 -14.813 -2.049 144 HA THR 22 HA THR 22 -3.415 -15.805 -4.352 145 HB THR 22 HB THR 22 -2.966 -17.156 -1.684 146 HG1 THR 22 HG1 THR 22 -1.088 -17.605 -2.549 147 HG21 THR 22 HG21 THR 22 -3.618 -19.021 -3.662 148 HG22 THR 22 HG22 THR 22 -4.746 -17.686 -3.895 149 HG23 THR 22 HG23 THR 22 -4.637 -18.486 -2.327 150 H ASP 23 H ASP 23 -3.683 -14.269 -1.265 151 HA ASP 23 HA ASP 23 -6.436 -14.833 -0.800 152 HB2 ASP 23 HB2 ASP 23 -4.653 -12.638 0.274 153 HB3 ASP 23 HB3 ASP 23 -6.281 -12.975 0.854 154 H ARG 24 H ARG 24 -4.736 -12.547 -2.750 155 HA ARG 24 HA ARG 24 -7.058 -10.822 -3.065 156 HB2 ARG 24 HB2 ARG 24 -4.358 -10.693 -4.420 157 HB3 ARG 24 HB3 ARG 24 -5.607 -9.456 -4.474 158 HG2 ARG 24 HG2 ARG 24 -4.546 -10.324 -1.831 159 HG3 ARG 24 HG3 ARG 24 -3.582 -9.243 -2.839 160 HD2 ARG 24 HD2 ARG 24 -4.784 -7.715 -1.631 161 HD3 ARG 24 HD3 ARG 24 -5.846 -7.924 -3.024 162 HE ARG 24 HE ARG 24 -6.660 -9.786 -1.161 163 HH11 ARG 24 HH11 ARG 24 -6.369 -6.321 -1.329 164 HH12 ARG 24 HH12 ARG 24 -7.682 -6.027 -0.237 165 HH21 ARG 24 HH21 ARG 24 -8.388 -9.412 0.279 166 HH22 ARG 24 HH22 ARG 24 -8.829 -7.786 0.679 167 H GLY 25 H GLY 25 -7.253 -10.094 -5.562 168 HA2 GLY 25 HA2 GLY 25 -7.587 -12.594 -7.104 169 HA3 GLY 25 HA3 GLY 25 -8.793 -11.317 -7.099 170 H TYR 26 H TYR 26 -5.310 -11.728 -7.735 171 HA TYR 26 HA TYR 26 -5.454 -9.634 -9.761 172 HB2 TYR 26 HB2 TYR 26 -3.100 -11.160 -8.632 173 HB3 TYR 26 HB3 TYR 26 -2.979 -9.885 -9.840 174 HD1 TYR 26 HD2 TYR 26 -4.131 -7.604 -9.139 175 HD2 TYR 26 HD1 TYR 26 -2.818 -10.594 -6.411 176 HE1 TYR 26 HE2 TYR 26 -4.017 -5.917 -7.354 177 HE2 TYR 26 HE1 TYR 26 -2.701 -8.915 -4.618 178 HH TYR 26 HH TYR 26 -3.649 -5.542 -5.195 179 H THR 27 H THR 27 -4.649 -9.957 -11.902 180 HA THR 27 HA THR 27 -4.775 -12.760 -12.807 181 HB THR 27 HB THR 27 -5.923 -12.122 -14.795 182 HG1 THR 27 HG1 THR 27 -5.501 -9.443 -13.919 183 HG21 THR 27 HG21 THR 27 -7.269 -10.497 -12.647 184 HG22 THR 27 HG22 THR 27 -7.239 -12.261 -12.620 185 HG23 THR 27 HG23 THR 27 -8.016 -11.413 -13.957 186 H GLY 28 H GLY 28 -3.567 -9.508 -13.591 187 HA2 GLY 28 HA2 GLY 28 -1.336 -10.803 -15.034 188 HA3 GLY 28 HA3 GLY 28 -2.006 -9.241 -15.483 189 H SER 29 H SER 29 0.745 -10.106 -14.689 190 HA SER 29 HA SER 29 1.141 -8.065 -12.610 191 HB2 SER 29 HB2 SER 29 2.592 -9.399 -11.354 192 HB3 SER 29 HB3 SER 29 1.334 -10.542 -11.828 193 HG SER 29 HG SER 29 3.806 -10.937 -12.182 194 H CYS 30 H CYS 30 2.733 -6.641 -13.009 195 HA CYS 30 HA CYS 30 4.502 -7.185 -15.304 196 HB2 CYS 30 HB2 CYS 30 3.509 -4.467 -14.432 197 HB3 CYS 30 HB3 CYS 30 4.424 -4.850 -15.887 198 H ARG 31 H ARG 31 6.574 -7.323 -14.783 199 HA ARG 31 HA ARG 31 7.641 -6.982 -12.262 200 HB2 ARG 31 HB2 ARG 31 8.869 -6.991 -15.000 201 HB3 ARG 31 HB3 ARG 31 9.867 -6.696 -13.583 202 HG2 ARG 31 HG2 ARG 31 8.740 -8.885 -12.702 203 HG3 ARG 31 HG3 ARG 31 8.444 -9.173 -14.418 204 HD2 ARG 31 HD2 ARG 31 11.168 -8.414 -13.429 205 HD3 ARG 31 HD3 ARG 31 10.613 -10.086 -13.351 206 HE ARG 31 HE ARG 31 10.316 -8.872 -15.943 207 HH11 ARG 31 HH11 ARG 31 12.448 -10.614 -13.813 208 HH12 ARG 31 HH12 ARG 31 13.414 -11.263 -15.097 209 HH21 ARG 31 HH21 ARG 31 11.580 -9.720 -17.643 210 HH22 ARG 31 HH22 ARG 31 12.919 -10.753 -17.275 211 H TYR 32 H TYR 32 8.524 -5.335 -11.124 212 HA TYR 32 HA TYR 32 8.344 -2.656 -12.329 213 HB2 TYR 32 HB2 TYR 32 7.021 -3.417 -10.169 214 HB3 TYR 32 HB3 TYR 32 8.548 -3.053 -9.374 215 HD1 TYR 32 HD2 TYR 32 6.045 -1.548 -11.692 216 HD2 TYR 32 HD1 TYR 32 9.000 -0.875 -8.707 217 HE1 TYR 32 HE2 TYR 32 5.443 0.837 -11.642 218 HE2 TYR 32 HE1 TYR 32 8.407 1.512 -8.647 219 HH TYR 32 HH TYR 32 6.648 2.986 -9.215 220 H PHE 33 H PHE 33 9.890 -1.053 -11.195 221 HA PHE 33 HA PHE 33 12.506 -1.693 -11.873 222 HB2 PHE 33 HB2 PHE 33 11.356 0.612 -11.381 223 HB3 PHE 33 HB3 PHE 33 11.957 0.345 -9.747 224 HD1 PHE 33 HD1 PHE 33 13.095 0.403 -13.289 225 HD2 PHE 33 HD2 PHE 33 14.101 1.003 -9.197 226 HE1 PHE 33 HE1 PHE 33 15.294 1.279 -13.962 227 HE2 PHE 33 HE2 PHE 33 16.301 1.881 -9.863 228 HZ PHE 33 HZ PHE 33 16.900 2.021 -12.248 229 H LEU 34 H LEU 34 11.081 -1.484 -8.613 230 HA LEU 34 HA LEU 34 13.386 -2.978 -7.574 231 HB2 LEU 34 HB2 LEU 34 11.452 -1.050 -6.393 232 HB3 LEU 34 HB3 LEU 34 12.156 -2.278 -5.342 233 HG LEU 34 HG LEU 34 13.978 -0.602 -7.001 234 HD11 LEU 34 HD11 LEU 34 13.861 1.265 -5.671 235 HD12 LEU 34 HD12 LEU 34 13.127 0.396 -4.325 236 HD13 LEU 34 HD13 LEU 34 12.162 0.798 -5.745 237 HD21 LEU 34 HD21 LEU 34 15.541 -1.448 -5.656 238 HD22 LEU 34 HD22 LEU 34 14.306 -2.580 -5.106 239 HD23 LEU 34 HD23 LEU 34 14.602 -1.092 -4.206 240 H GLY 35 H GLY 35 9.833 -2.882 -7.419 241 HA2 GLY 35 HA2 GLY 35 9.897 -5.709 -6.565 242 HA3 GLY 35 HA3 GLY 35 8.620 -4.581 -6.135 243 H THR 36 H THR 36 6.818 -5.249 -7.096 244 HA THR 36 HA THR 36 6.815 -5.525 -10.000 245 HB THR 36 HB THR 36 5.430 -7.636 -8.362 246 HG1 THR 36 HG1 THR 36 7.447 -8.205 -7.881 247 HG21 THR 36 HG21 THR 36 5.937 -7.089 -11.221 248 HG22 THR 36 HG22 THR 36 4.573 -7.893 -10.444 249 HG23 THR 36 HG23 THR 36 6.079 -8.772 -10.715 250 H CYS 37 H CYS 37 4.632 -5.504 -10.912 251 HA CYS 37 HA CYS 37 2.755 -4.055 -9.163 252 HB2 CYS 37 HB2 CYS 37 3.681 -2.725 -11.043 253 HB3 CYS 37 HB3 CYS 37 3.002 -3.892 -12.174 254 H CYS 38 H CYS 38 1.142 -5.321 -8.532 255 HA CYS 38 HA CYS 38 0.237 -7.497 -10.258 256 HB2 CYS 38 HB2 CYS 38 -0.212 -6.826 -7.356 257 HB3 CYS 38 HB3 CYS 38 -1.170 -8.054 -8.179 258 H THR 39 H THR 39 -1.469 -7.262 -11.527 259 HA THR 39 HA THR 39 -3.489 -5.235 -10.813 260 HB THR 39 HB THR 39 -3.918 -5.387 -13.424 261 HG1 THR 39 HG1 THR 39 -1.189 -6.136 -13.098 262 HG21 THR 39 HG21 THR 39 -2.660 -3.383 -13.702 263 HG22 THR 39 HG22 THR 39 -1.566 -3.812 -12.386 264 HG23 THR 39 HG23 THR 39 -3.243 -3.392 -12.038 265 HA PRO 40 HA PRO 40 -5.353 -4.634 -12.294 266 HB2 PRO 40 HB2 PRO 40 -7.839 -4.430 -11.221 267 HB3 PRO 40 HB3 PRO 40 -7.545 -5.022 -12.861 268 HG2 PRO 40 HG2 PRO 40 -8.057 -6.570 -10.350 269 HG3 PRO 40 HG3 PRO 40 -8.710 -6.831 -11.978 270 HD2 PRO 40 HD2 PRO 40 -6.659 -8.290 -10.980 271 HD3 PRO 40 HD3 PRO 40 -6.804 -7.904 -12.707 272 H ALA 41 H ALA 41 -6.030 -2.790 -10.817 273 HA ALA 41 HA ALA 41 -4.552 -2.986 -8.378 274 HB1 ALA 41 HB1 ALA 41 -5.646 -0.890 -10.022 275 HB2 ALA 41 HB2 ALA 41 -5.986 -0.594 -8.317 276 HB3 ALA 41 HB3 ALA 41 -4.325 -0.829 -8.857 277 H ASP 42 H ASP 42 -5.357 -4.015 -6.668 278 HA ASP 42 HA ASP 42 -8.226 -4.001 -6.158 279 HB2 ASP 42 HB2 ASP 42 -5.903 -5.552 -5.050 280 HB3 ASP 42 HB3 ASP 42 -7.449 -5.530 -4.206 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.053 -0.392 0.667 2 HA2 GLY 1 HA2 GLY 1 3.185 -0.160 -1.468 3 HA3 GLY 1 HA3 GLY 1 1.537 -0.686 -1.783 4 H THR 2 H THR 2 3.059 0.666 -3.679 5 HA THR 2 HA THR 2 1.870 3.357 -3.716 6 HB THR 2 HB THR 2 3.978 2.550 -5.671 7 HG1 THR 2 HG1 THR 2 4.512 2.030 -3.306 8 HG21 THR 2 HG21 THR 2 3.155 4.715 -6.033 9 HG22 THR 2 HG22 THR 2 4.651 4.970 -5.135 10 HG23 THR 2 HG23 THR 2 3.098 5.078 -4.308 11 H ALA 3 H ALA 3 1.278 4.162 -5.928 12 HA ALA 3 HA ALA 3 -0.365 2.147 -7.238 13 HB1 ALA 3 HB1 ALA 3 -1.394 4.273 -6.638 14 HB2 ALA 3 HB2 ALA 3 -0.234 5.131 -7.653 15 HB3 ALA 3 HB3 ALA 3 -1.409 4.038 -8.387 16 H CYS 4 H CYS 4 0.175 1.178 -9.077 17 HA CYS 4 HA CYS 4 2.237 2.428 -10.772 18 HB2 CYS 4 HB2 CYS 4 2.834 0.035 -11.413 19 HB3 CYS 4 HB3 CYS 4 3.292 0.549 -9.791 20 H SER 5 H SER 5 2.199 1.459 -13.050 21 HA SER 5 HA SER 5 -0.552 0.899 -13.919 22 HB2 SER 5 HB2 SER 5 0.879 2.545 -15.840 23 HB3 SER 5 HB3 SER 5 -0.725 2.776 -15.143 24 HG SER 5 HG SER 5 1.698 3.874 -14.416 25 H CYS 6 H CYS 6 -0.752 -0.458 -15.661 26 HA CYS 6 HA CYS 6 1.749 -1.695 -16.602 27 HB2 CYS 6 HB2 CYS 6 -0.980 -2.781 -16.043 28 HB3 CYS 6 HB3 CYS 6 0.009 -3.562 -17.272 29 H GLY 7 H GLY 7 0.363 0.719 -17.679 30 HA2 GLY 7 HA2 GLY 7 0.799 1.119 -20.112 31 HA3 GLY 7 HA3 GLY 7 -0.193 -0.304 -20.397 32 H ASN 8 H ASN 8 -2.452 -0.154 -19.411 33 HA ASN 8 HA ASN 8 -3.482 2.594 -19.554 34 HB2 ASN 8 HB2 ASN 8 -5.188 2.037 -21.074 35 HB3 ASN 8 HB3 ASN 8 -3.757 1.249 -21.732 36 HD21 ASN 8 HD21 ASN 8 -6.941 0.849 -20.974 37 HD22 ASN 8 HD22 ASN 8 -7.001 -0.877 -20.911 38 H SER 9 H SER 9 -2.955 0.630 -17.367 39 HA SER 9 HA SER 9 -5.538 0.906 -16.062 40 HB2 SER 9 HB2 SER 9 -5.546 -1.352 -17.165 41 HB3 SER 9 HB3 SER 9 -4.166 -1.790 -16.158 42 HG SER 9 HG SER 9 -5.424 -1.689 -14.371 43 H LYS 10 H LYS 10 -5.424 0.639 -13.752 44 HA LYS 10 HA LYS 10 -2.765 1.297 -12.722 45 HB2 LYS 10 HB2 LYS 10 -5.468 1.528 -11.385 46 HB3 LYS 10 HB3 LYS 10 -3.941 2.113 -10.735 47 HG2 LYS 10 HG2 LYS 10 -3.878 3.914 -12.123 48 HG3 LYS 10 HG3 LYS 10 -4.770 3.096 -13.408 49 HD2 LYS 10 HD2 LYS 10 -6.188 3.661 -10.856 50 HD3 LYS 10 HD3 LYS 10 -5.869 5.012 -11.947 51 HE2 LYS 10 HE2 LYS 10 -6.963 3.754 -13.767 52 HE3 LYS 10 HE3 LYS 10 -7.332 2.461 -12.627 53 HZ1 LYS 10 HZ1 LYS 10 -9.261 3.723 -12.691 54 HZ2 LYS 10 HZ2 LYS 10 -8.433 5.198 -12.727 55 HZ3 LYS 10 HZ3 LYS 10 -8.488 4.294 -11.298 56 H GLY 11 H GLY 11 -1.895 0.268 -10.879 57 HA2 GLY 11 HA2 GLY 11 -3.220 -2.172 -9.954 58 HA3 GLY 11 HA3 GLY 11 -1.641 -2.345 -10.709 59 H ILE 12 H ILE 12 -1.403 -3.327 -8.431 60 HA ILE 12 HA ILE 12 -0.689 -1.231 -6.496 61 HB ILE 12 HB ILE 12 -1.152 -4.179 -6.032 62 HG12 ILE 12 HG12 ILE 12 -3.228 -2.996 -6.503 63 HG13 ILE 12 HG13 ILE 12 -3.152 -3.409 -4.793 64 HG21 ILE 12 HG21 ILE 12 0.305 -3.694 -4.345 65 HG22 ILE 12 HG22 ILE 12 -0.135 -1.988 -4.306 66 HG23 ILE 12 HG23 ILE 12 -1.202 -3.191 -3.582 67 HD11 ILE 12 HD11 ILE 12 -2.816 -0.730 -6.086 68 HD12 ILE 12 HD12 ILE 12 -3.974 -1.229 -4.853 69 HD13 ILE 12 HD13 ILE 12 -2.269 -1.047 -4.439 70 H TYR 13 H TYR 13 1.382 -0.828 -6.101 71 HA TYR 13 HA TYR 13 3.417 -2.491 -7.330 72 HB2 TYR 13 HB2 TYR 13 3.767 -0.167 -7.634 73 HB3 TYR 13 HB3 TYR 13 3.477 0.179 -5.933 74 HD1 TYR 13 HD1 TYR 13 5.654 -2.468 -7.371 75 HD2 TYR 13 HD2 TYR 13 5.468 1.237 -5.287 76 HE1 TYR 13 HE1 TYR 13 8.071 -2.597 -6.938 77 HE2 TYR 13 HE2 TYR 13 7.886 1.119 -4.850 78 HH TYR 13 HH TYR 13 9.736 -1.733 -5.516 79 H TRP 14 H TRP 14 4.213 -4.176 -6.278 80 HA TRP 14 HA TRP 14 4.284 -4.124 -3.343 81 HB2 TRP 14 HB2 TRP 14 4.529 -6.472 -5.236 82 HB3 TRP 14 HB3 TRP 14 4.503 -6.567 -3.477 83 HD1 TRP 14 HD1 TRP 14 2.199 -5.779 -6.454 84 HE1 TRP 14 HE1 TRP 14 -0.241 -6.077 -5.691 85 HE3 TRP 14 HE3 TRP 14 3.001 -6.587 -1.470 86 HZ2 TRP 14 HZ2 TRP 14 -1.641 -6.587 -3.292 87 HZ3 TRP 14 HZ3 TRP 14 1.059 -6.972 -0.010 88 HH2 TRP 14 HH2 TRP 14 -1.214 -6.970 -0.903 89 H PHE 15 H PHE 15 6.160 -3.799 -2.359 90 HA PHE 15 HA PHE 15 8.600 -3.561 -3.791 91 HB2 PHE 15 HB2 PHE 15 7.867 -3.488 -0.877 92 HB3 PHE 15 HB3 PHE 15 9.554 -3.464 -1.379 93 HD1 PHE 15 HD2 PHE 15 10.250 -1.637 -3.044 94 HD2 PHE 15 HD1 PHE 15 6.644 -1.524 -0.785 95 HE1 PHE 15 HE2 PHE 15 10.109 0.795 -3.395 96 HE2 PHE 15 HE1 PHE 15 6.498 0.907 -1.132 97 HZ PHE 15 HZ PHE 15 8.233 2.070 -2.438 98 H TYR 16 H TYR 16 9.736 -5.211 -4.549 99 HA TYR 16 HA TYR 16 10.694 -7.264 -4.776 100 HB2 TYR 16 HB2 TYR 16 10.778 -6.990 -1.767 101 HB3 TYR 16 HB3 TYR 16 11.601 -8.268 -2.655 102 HD1 TYR 16 HD2 TYR 16 11.396 -4.565 -2.346 103 HD2 TYR 16 HD1 TYR 16 13.748 -7.915 -3.506 104 HE1 TYR 16 HE2 TYR 16 13.334 -3.085 -2.667 105 HE2 TYR 16 HE1 TYR 16 15.693 -6.445 -3.828 106 HH TYR 16 HH TYR 16 15.683 -3.464 -4.324 107 H ARG 17 H ARG 17 8.357 -7.779 -5.439 108 HA ARG 17 HA ARG 17 7.616 -10.241 -4.085 109 HB2 ARG 17 HB2 ARG 17 6.018 -7.771 -3.983 110 HB3 ARG 17 HB3 ARG 17 5.122 -9.200 -4.484 111 HG2 ARG 17 HG2 ARG 17 6.113 -10.329 -2.419 112 HG3 ARG 17 HG3 ARG 17 6.556 -8.700 -1.900 113 HD2 ARG 17 HD2 ARG 17 4.360 -8.041 -1.646 114 HD3 ARG 17 HD3 ARG 17 3.757 -9.252 -2.777 115 HE ARG 17 HE ARG 17 4.897 -10.340 -0.363 116 HH11 ARG 17 HH11 ARG 17 2.020 -9.134 -1.908 117 HH12 ARG 17 HH12 ARG 17 0.940 -9.981 -0.850 118 HH21 ARG 17 HH21 ARG 17 3.485 -11.459 1.036 119 HH22 ARG 17 HH22 ARG 17 1.774 -11.302 0.825 120 HA PRO 18 HA PRO 18 7.422 -10.437 -8.705 121 HB2 PRO 18 HB2 PRO 18 8.700 -12.826 -8.879 122 HB3 PRO 18 HB3 PRO 18 9.556 -11.281 -8.807 123 HG2 PRO 18 HG2 PRO 18 9.020 -13.254 -6.619 124 HG3 PRO 18 HG3 PRO 18 10.508 -12.358 -6.978 125 HD2 PRO 18 HD2 PRO 18 8.791 -11.608 -5.024 126 HD3 PRO 18 HD3 PRO 18 9.747 -10.438 -5.955 127 H SER 19 H SER 19 6.257 -12.242 -6.071 128 HA SER 19 HA SER 19 4.470 -13.762 -7.856 129 HB2 SER 19 HB2 SER 19 4.311 -15.386 -5.870 130 HB3 SER 19 HB3 SER 19 5.805 -15.404 -6.807 131 HG SER 19 HG SER 19 5.642 -15.120 -4.258 132 H CYS 20 H CYS 20 2.648 -12.575 -7.857 133 HA CYS 20 HA CYS 20 1.691 -10.982 -5.774 134 HB2 CYS 20 HB2 CYS 20 0.087 -12.343 -7.950 135 HB3 CYS 20 HB3 CYS 20 -0.439 -10.964 -6.988 136 HA PRO 21 HA PRO 21 -0.126 -13.727 -2.870 137 HB2 PRO 21 HB2 PRO 21 -2.232 -12.252 -2.003 138 HB3 PRO 21 HB3 PRO 21 -0.558 -11.879 -1.577 139 HG2 PRO 21 HG2 PRO 21 -2.295 -10.649 -3.682 140 HG3 PRO 21 HG3 PRO 21 -1.190 -9.859 -2.543 141 HD2 PRO 21 HD2 PRO 21 -0.528 -10.329 -5.126 142 HD3 PRO 21 HD3 PRO 21 0.669 -10.344 -3.815 143 H THR 22 H THR 22 -1.947 -15.074 -2.448 144 HA THR 22 HA THR 22 -3.567 -15.556 -4.827 145 HB THR 22 HB THR 22 -4.139 -17.693 -3.824 146 HG1 THR 22 HG1 THR 22 -4.200 -17.645 -1.700 147 HG21 THR 22 HG21 THR 22 -2.009 -18.735 -3.898 148 HG22 THR 22 HG22 THR 22 -1.192 -17.263 -3.372 149 HG23 THR 22 HG23 THR 22 -1.911 -17.346 -4.980 150 H ASP 23 H ASP 23 -3.857 -14.342 -1.605 151 HA ASP 23 HA ASP 23 -6.615 -14.775 -1.196 152 HB2 ASP 23 HB2 ASP 23 -4.650 -12.794 -0.062 153 HB3 ASP 23 HB3 ASP 23 -6.351 -12.769 0.395 154 H ARG 24 H ARG 24 -4.859 -12.459 -3.076 155 HA ARG 24 HA ARG 24 -7.171 -10.719 -3.388 156 HB2 ARG 24 HB2 ARG 24 -4.432 -10.553 -4.659 157 HB3 ARG 24 HB3 ARG 24 -5.681 -9.317 -4.730 158 HG2 ARG 24 HG2 ARG 24 -4.738 -10.232 -2.063 159 HG3 ARG 24 HG3 ARG 24 -3.702 -9.165 -3.014 160 HD2 ARG 24 HD2 ARG 24 -4.969 -7.695 -1.726 161 HD3 ARG 24 HD3 ARG 24 -5.799 -7.706 -3.282 162 HE ARG 24 HE ARG 24 -7.631 -8.549 -2.224 163 HH11 ARG 24 HH11 ARG 24 -4.825 -9.221 -0.276 164 HH12 ARG 24 HH12 ARG 24 -5.734 -9.901 1.033 165 HH21 ARG 24 HH21 ARG 24 -8.840 -9.442 -0.508 166 HH22 ARG 24 HH22 ARG 24 -8.018 -10.027 0.899 167 H GLY 25 H GLY 25 -7.420 -9.934 -5.816 168 HA2 GLY 25 HA2 GLY 25 -7.725 -12.385 -7.438 169 HA3 GLY 25 HA3 GLY 25 -8.869 -11.052 -7.461 170 H TYR 26 H TYR 26 -5.361 -11.531 -7.905 171 HA TYR 26 HA TYR 26 -5.367 -9.465 -9.963 172 HB2 TYR 26 HB2 TYR 26 -3.064 -11.024 -8.771 173 HB3 TYR 26 HB3 TYR 26 -2.920 -9.662 -9.877 174 HD1 TYR 26 HD2 TYR 26 -4.650 -7.639 -8.906 175 HD2 TYR 26 HD1 TYR 26 -2.369 -10.439 -6.655 176 HE1 TYR 26 HE2 TYR 26 -4.637 -6.086 -6.998 177 HE2 TYR 26 HE1 TYR 26 -2.352 -8.894 -4.741 178 HH TYR 26 HH TYR 26 -4.071 -6.864 -4.000 179 H THR 27 H THR 27 -4.941 -9.812 -12.096 180 HA THR 27 HA THR 27 -4.840 -12.626 -12.959 181 HB THR 27 HB THR 27 -5.761 -11.745 -15.145 182 HG1 THR 27 HG1 THR 27 -6.964 -9.656 -14.687 183 HG21 THR 27 HG21 THR 27 -8.026 -11.785 -14.397 184 HG22 THR 27 HG22 THR 27 -7.567 -11.252 -12.781 185 HG23 THR 27 HG23 THR 27 -7.116 -12.862 -13.340 186 H GLY 28 H GLY 28 -3.657 -9.363 -13.717 187 HA2 GLY 28 HA2 GLY 28 -1.410 -10.628 -15.163 188 HA3 GLY 28 HA3 GLY 28 -2.092 -9.070 -15.606 189 H SER 29 H SER 29 0.665 -9.776 -14.910 190 HA SER 29 HA SER 29 1.038 -7.769 -12.810 191 HB2 SER 29 HB2 SER 29 2.724 -9.119 -11.680 192 HB3 SER 29 HB3 SER 29 1.196 -9.997 -11.733 193 HG SER 29 HG SER 29 3.601 -10.657 -12.798 194 H CYS 30 H CYS 30 2.760 -6.437 -13.114 195 HA CYS 30 HA CYS 30 4.506 -7.015 -15.417 196 HB2 CYS 30 HB2 CYS 30 3.627 -4.253 -14.570 197 HB3 CYS 30 HB3 CYS 30 4.474 -4.707 -16.046 198 H ARG 31 H ARG 31 6.589 -7.129 -14.930 199 HA ARG 31 HA ARG 31 7.645 -6.856 -12.388 200 HB2 ARG 31 HB2 ARG 31 8.741 -7.108 -15.113 201 HB3 ARG 31 HB3 ARG 31 9.834 -6.390 -13.937 202 HG2 ARG 31 HG2 ARG 31 8.430 -8.853 -13.108 203 HG3 ARG 31 HG3 ARG 31 9.664 -9.017 -14.358 204 HD2 ARG 31 HD2 ARG 31 11.298 -7.943 -12.914 205 HD3 ARG 31 HD3 ARG 31 10.066 -7.697 -11.677 206 HE ARG 31 HE ARG 31 10.282 -9.900 -11.060 207 HH11 ARG 31 HH11 ARG 31 11.900 -9.372 -14.097 208 HH12 ARG 31 HH12 ARG 31 12.663 -10.928 -14.110 209 HH21 ARG 31 HH21 ARG 31 11.281 -11.950 -11.065 210 HH22 ARG 31 HH22 ARG 31 12.310 -12.393 -12.385 211 H TYR 32 H TYR 32 8.524 -5.234 -11.215 212 HA TYR 32 HA TYR 32 8.348 -2.533 -12.363 213 HB2 TYR 32 HB2 TYR 32 7.097 -3.347 -10.177 214 HB3 TYR 32 HB3 TYR 32 8.651 -2.996 -9.427 215 HD1 TYR 32 HD1 TYR 32 5.998 -1.469 -11.546 216 HD2 TYR 32 HD2 TYR 32 9.190 -0.807 -8.811 217 HE1 TYR 32 HE1 TYR 32 5.393 0.910 -11.425 218 HE2 TYR 32 HE2 TYR 32 8.592 1.574 -8.682 219 HH TYR 32 HH TYR 32 6.154 2.889 -9.154 220 H PHE 33 H PHE 33 9.940 -0.951 -11.325 221 HA PHE 33 HA PHE 33 12.533 -1.618 -12.062 222 HB2 PHE 33 HB2 PHE 33 11.405 0.701 -11.568 223 HB3 PHE 33 HB3 PHE 33 12.062 0.456 -9.954 224 HD1 PHE 33 HD1 PHE 33 13.100 0.387 -13.531 225 HD2 PHE 33 HD2 PHE 33 14.199 1.180 -9.496 226 HE1 PHE 33 HE1 PHE 33 15.277 1.242 -14.296 227 HE2 PHE 33 HE2 PHE 33 16.377 2.037 -10.254 228 HZ PHE 33 HZ PHE 33 16.918 2.070 -12.657 229 H LEU 34 H LEU 34 11.198 -1.349 -8.769 230 HA LEU 34 HA LEU 34 13.530 -2.818 -7.761 231 HB2 LEU 34 HB2 LEU 34 11.576 -0.926 -6.548 232 HB3 LEU 34 HB3 LEU 34 12.359 -2.117 -5.511 233 HG LEU 34 HG LEU 34 14.031 -0.356 -7.252 234 HD11 LEU 34 HD11 LEU 34 13.963 1.450 -5.814 235 HD12 LEU 34 HD12 LEU 34 13.259 0.512 -4.498 236 HD13 LEU 34 HD13 LEU 34 12.269 0.964 -5.886 237 HD21 LEU 34 HD21 LEU 34 15.731 -0.930 -5.842 238 HD22 LEU 34 HD22 LEU 34 14.732 -2.378 -5.706 239 HD23 LEU 34 HD23 LEU 34 14.661 -1.137 -4.455 240 H GLY 35 H GLY 35 9.980 -2.783 -7.601 241 HA2 GLY 35 HA2 GLY 35 10.097 -5.600 -6.716 242 HA3 GLY 35 HA3 GLY 35 8.818 -4.487 -6.255 243 H THR 36 H THR 36 7.000 -5.176 -7.172 244 HA THR 36 HA THR 36 6.930 -5.455 -10.075 245 HB THR 36 HB THR 36 5.569 -7.571 -8.435 246 HG1 THR 36 HG1 THR 36 7.417 -8.531 -8.101 247 HG21 THR 36 HG21 THR 36 4.802 -8.043 -10.483 248 HG22 THR 36 HG22 THR 36 6.431 -8.609 -10.850 249 HG23 THR 36 HG23 THR 36 5.961 -6.957 -11.250 250 H CYS 37 H CYS 37 4.723 -5.463 -10.933 251 HA CYS 37 HA CYS 37 2.860 -4.063 -9.128 252 HB2 CYS 37 HB2 CYS 37 3.733 -2.637 -10.945 253 HB3 CYS 37 HB3 CYS 37 3.121 -3.786 -12.131 254 H CYS 38 H CYS 38 1.153 -5.235 -8.594 255 HA CYS 38 HA CYS 38 0.283 -7.394 -10.380 256 HB2 CYS 38 HB2 CYS 38 -0.348 -6.869 -7.468 257 HB3 CYS 38 HB3 CYS 38 -0.965 -8.228 -8.401 258 H THR 39 H THR 39 -1.510 -7.195 -11.539 259 HA THR 39 HA THR 39 -3.490 -5.167 -10.728 260 HB THR 39 HB THR 39 -4.001 -5.246 -13.326 261 HG1 THR 39 HG1 THR 39 -1.280 -6.048 -13.097 262 HG21 THR 39 HG21 THR 39 -3.278 -3.287 -11.917 263 HG22 THR 39 HG22 THR 39 -2.736 -3.240 -13.594 264 HG23 THR 39 HG23 THR 39 -1.613 -3.707 -12.316 265 HA PRO 40 HA PRO 40 -5.400 -4.526 -12.131 266 HB2 PRO 40 HB2 PRO 40 -7.851 -4.353 -10.976 267 HB3 PRO 40 HB3 PRO 40 -7.609 -4.901 -12.639 268 HG2 PRO 40 HG2 PRO 40 -8.041 -6.517 -10.157 269 HG3 PRO 40 HG3 PRO 40 -8.746 -6.734 -11.769 270 HD2 PRO 40 HD2 PRO 40 -6.663 -8.218 -10.878 271 HD3 PRO 40 HD3 PRO 40 -6.864 -7.785 -12.588 272 H ALA 41 H ALA 41 -6.078 -2.734 -10.568 273 HA ALA 41 HA ALA 41 -4.486 -2.955 -8.211 274 HB1 ALA 41 HB1 ALA 41 -6.256 -0.655 -8.265 275 HB2 ALA 41 HB2 ALA 41 -4.493 -0.727 -8.272 276 HB3 ALA 41 HB3 ALA 41 -5.388 -0.873 -9.785 277 H ASP 42 H ASP 42 -5.176 -4.131 -6.539 278 HA ASP 42 HA ASP 42 -7.787 -4.823 -5.921 279 HB2 ASP 42 HB2 ASP 42 -6.101 -6.078 -4.866 280 HB3 ASP 42 HB3 ASP 42 -5.294 -4.640 -4.247 Start of MODEL 14 1 H1 GLY 1 H GLY 1 0.506 -1.263 -0.430 2 HA2 GLY 1 HA2 GLY 1 2.282 0.458 -0.584 3 HA3 GLY 1 HA3 GLY 1 2.303 -0.600 -1.986 4 H THR 2 H THR 2 3.053 0.811 -3.494 5 HA THR 2 HA THR 2 1.771 3.409 -3.797 6 HB THR 2 HB THR 2 3.871 2.410 -5.680 7 HG1 THR 2 HG1 THR 2 4.210 3.074 -2.952 8 HG21 THR 2 HG21 THR 2 3.523 4.529 -6.345 9 HG22 THR 2 HG22 THR 2 4.476 4.973 -4.929 10 HG23 THR 2 HG23 THR 2 2.715 4.965 -4.839 11 H ALA 3 H ALA 3 1.138 4.125 -6.000 12 HA ALA 3 HA ALA 3 -0.513 2.075 -7.244 13 HB1 ALA 3 HB1 ALA 3 -1.671 3.860 -8.322 14 HB2 ALA 3 HB2 ALA 3 -1.420 4.325 -6.639 15 HB3 ALA 3 HB3 ALA 3 -0.402 5.011 -7.905 16 H CYS 4 H CYS 4 -0.060 1.110 -9.115 17 HA CYS 4 HA CYS 4 2.004 2.304 -10.846 18 HB2 CYS 4 HB2 CYS 4 2.637 -0.085 -11.422 19 HB3 CYS 4 HB3 CYS 4 3.077 0.457 -9.806 20 H SER 5 H SER 5 1.944 1.267 -13.095 21 HA SER 5 HA SER 5 -0.782 0.575 -13.916 22 HB2 SER 5 HB2 SER 5 0.233 2.270 -15.937 23 HB3 SER 5 HB3 SER 5 -1.132 2.575 -14.861 24 HG SER 5 HG SER 5 0.551 4.188 -14.778 25 H CYS 6 H CYS 6 -0.897 -0.855 -15.576 26 HA CYS 6 HA CYS 6 1.638 -1.974 -16.503 27 HB2 CYS 6 HB2 CYS 6 -1.144 -2.990 -16.222 28 HB3 CYS 6 HB3 CYS 6 -0.161 -3.679 -17.509 29 H GLY 7 H GLY 7 -1.086 -0.162 -17.628 30 HA2 GLY 7 HA2 GLY 7 0.142 0.606 -20.024 31 HA3 GLY 7 HA3 GLY 7 -0.937 -0.733 -20.382 32 H ASN 8 H ASN 8 -3.172 -0.406 -19.169 33 HA ASN 8 HA ASN 8 -4.012 2.393 -19.421 34 HB2 ASN 8 HB2 ASN 8 -5.466 0.060 -20.688 35 HB3 ASN 8 HB3 ASN 8 -5.987 1.743 -20.712 36 HD21 ASN 8 HD21 ASN 8 -3.987 -0.635 -22.130 37 HD22 ASN 8 HD22 ASN 8 -3.293 0.357 -23.362 38 H SER 9 H SER 9 -3.547 0.513 -17.168 39 HA SER 9 HA SER 9 -6.073 0.990 -15.810 40 HB2 SER 9 HB2 SER 9 -6.022 -1.384 -16.875 41 HB3 SER 9 HB3 SER 9 -4.887 -1.763 -15.580 42 HG SER 9 HG SER 9 -6.869 -2.228 -14.770 43 H LYS 10 H LYS 10 -5.872 0.409 -13.434 44 HA LYS 10 HA LYS 10 -3.216 1.249 -12.514 45 HB2 LYS 10 HB2 LYS 10 -5.955 1.395 -11.266 46 HB3 LYS 10 HB3 LYS 10 -4.489 1.679 -10.337 47 HG2 LYS 10 HG2 LYS 10 -5.324 3.233 -12.778 48 HG3 LYS 10 HG3 LYS 10 -5.537 3.759 -11.107 49 HD2 LYS 10 HD2 LYS 10 -2.851 3.063 -11.281 50 HD3 LYS 10 HD3 LYS 10 -3.194 3.888 -12.804 51 HE2 LYS 10 HE2 LYS 10 -4.127 5.781 -11.562 52 HE3 LYS 10 HE3 LYS 10 -3.783 4.955 -10.043 53 HZ1 LYS 10 HZ1 LYS 10 -1.384 4.912 -10.924 54 HZ2 LYS 10 HZ2 LYS 10 -1.988 6.362 -10.299 55 HZ3 LYS 10 HZ3 LYS 10 -1.895 6.138 -11.972 56 H GLY 11 H GLY 11 -2.183 0.202 -10.771 57 HA2 GLY 11 HA2 GLY 11 -3.295 -2.383 -9.939 58 HA3 GLY 11 HA3 GLY 11 -1.714 -2.364 -10.703 59 H ILE 12 H ILE 12 -1.417 -3.448 -8.460 60 HA ILE 12 HA ILE 12 -0.783 -1.372 -6.470 61 HB ILE 12 HB ILE 12 -1.257 -4.324 -6.039 62 HG12 ILE 12 HG12 ILE 12 -3.323 -3.115 -6.508 63 HG13 ILE 12 HG13 ILE 12 -3.262 -3.562 -4.807 64 HG21 ILE 12 HG21 ILE 12 -1.310 -3.389 -3.579 65 HG22 ILE 12 HG22 ILE 12 0.208 -3.849 -4.349 66 HG23 ILE 12 HG23 ILE 12 -0.260 -2.151 -4.269 67 HD11 ILE 12 HD11 ILE 12 -2.684 -0.847 -5.963 68 HD12 ILE 12 HD12 ILE 12 -4.114 -1.325 -5.049 69 HD13 ILE 12 HD13 ILE 12 -2.538 -1.280 -4.260 70 H TYR 13 H TYR 13 1.288 -0.932 -6.148 71 HA TYR 13 HA TYR 13 3.331 -2.606 -7.334 72 HB2 TYR 13 HB2 TYR 13 3.681 -0.284 -7.643 73 HB3 TYR 13 HB3 TYR 13 3.375 0.070 -5.947 74 HD1 TYR 13 HD2 TYR 13 5.575 -2.570 -7.364 75 HD2 TYR 13 HD1 TYR 13 5.354 1.132 -5.279 76 HE1 TYR 13 HE2 TYR 13 7.989 -2.689 -6.909 77 HE2 TYR 13 HE1 TYR 13 7.768 1.024 -4.820 78 HH TYR 13 HH TYR 13 9.786 -0.071 -5.829 79 H TRP 14 H TRP 14 4.109 -4.294 -6.272 80 HA TRP 14 HA TRP 14 4.173 -4.233 -3.337 81 HB2 TRP 14 HB2 TRP 14 4.412 -6.572 -5.243 82 HB3 TRP 14 HB3 TRP 14 4.429 -6.685 -3.485 83 HD1 TRP 14 HD1 TRP 14 2.051 -5.906 -6.402 84 HE1 TRP 14 HE1 TRP 14 -0.370 -6.215 -5.581 85 HE3 TRP 14 HE3 TRP 14 2.973 -6.699 -1.437 86 HZ2 TRP 14 HZ2 TRP 14 -1.710 -6.727 -3.150 87 HZ3 TRP 14 HZ3 TRP 14 1.067 -7.091 0.069 88 HH2 TRP 14 HH2 TRP 14 -1.225 -7.103 -0.772 89 H PHE 15 H PHE 15 6.041 -3.892 -2.347 90 HA PHE 15 HA PHE 15 8.487 -3.636 -3.759 91 HB2 PHE 15 HB2 PHE 15 7.712 -3.568 -0.861 92 HB3 PHE 15 HB3 PHE 15 9.413 -3.592 -1.316 93 HD1 PHE 15 HD1 PHE 15 10.150 -1.799 -3.047 94 HD2 PHE 15 HD2 PHE 15 6.602 -1.554 -0.710 95 HE1 PHE 15 HE1 PHE 15 10.091 0.635 -3.399 96 HE2 PHE 15 HE2 PHE 15 6.535 0.880 -1.059 97 HZ PHE 15 HZ PHE 15 8.282 1.978 -2.406 98 H TYR 16 H TYR 16 9.669 -5.257 -4.507 99 HA TYR 16 HA TYR 16 10.618 -7.313 -4.763 100 HB2 TYR 16 HB2 TYR 16 10.713 -7.087 -1.749 101 HB3 TYR 16 HB3 TYR 16 11.577 -8.306 -2.680 102 HD1 TYR 16 HD2 TYR 16 11.263 -4.641 -2.171 103 HD2 TYR 16 HD1 TYR 16 13.680 -7.833 -3.613 104 HE1 TYR 16 HE2 TYR 16 13.145 -3.081 -2.454 105 HE2 TYR 16 HE1 TYR 16 15.567 -6.282 -3.898 106 HH TYR 16 HH TYR 16 15.429 -3.248 -4.182 107 H ARG 17 H ARG 17 8.296 -7.860 -5.423 108 HA ARG 17 HA ARG 17 7.576 -10.323 -4.061 109 HB2 ARG 17 HB2 ARG 17 5.975 -7.868 -3.931 110 HB3 ARG 17 HB3 ARG 17 5.074 -9.276 -4.479 111 HG2 ARG 17 HG2 ARG 17 5.210 -10.322 -2.472 112 HG3 ARG 17 HG3 ARG 17 6.778 -9.611 -2.082 113 HD2 ARG 17 HD2 ARG 17 5.603 -7.420 -1.769 114 HD3 ARG 17 HD3 ARG 17 4.076 -8.283 -1.948 115 HE ARG 17 HE ARG 17 5.287 -9.653 0.022 116 HH11 ARG 17 HH11 ARG 17 4.732 -6.253 -0.475 117 HH12 ARG 17 HH12 ARG 17 4.640 -5.887 1.216 118 HH21 ARG 17 HH21 ARG 17 5.168 -9.185 2.252 119 HH22 ARG 17 HH22 ARG 17 4.890 -7.556 2.766 120 HA PRO 18 HA PRO 18 7.379 -10.537 -8.679 121 HB2 PRO 18 HB2 PRO 18 8.667 -12.922 -8.844 122 HB3 PRO 18 HB3 PRO 18 9.517 -11.374 -8.776 123 HG2 PRO 18 HG2 PRO 18 8.987 -13.342 -6.583 124 HG3 PRO 18 HG3 PRO 18 10.471 -12.442 -6.945 125 HD2 PRO 18 HD2 PRO 18 8.751 -11.691 -4.993 126 HD3 PRO 18 HD3 PRO 18 9.703 -10.520 -5.928 127 H SER 19 H SER 19 6.231 -12.351 -6.038 128 HA SER 19 HA SER 19 4.456 -13.891 -7.820 129 HB2 SER 19 HB2 SER 19 4.328 -15.600 -6.035 130 HB3 SER 19 HB3 SER 19 5.978 -15.382 -6.619 131 HG SER 19 HG SER 19 5.667 -15.454 -4.264 132 H CYS 20 H CYS 20 2.624 -12.725 -7.855 133 HA CYS 20 HA CYS 20 1.637 -11.097 -5.815 134 HB2 CYS 20 HB2 CYS 20 0.129 -12.512 -8.023 135 HB3 CYS 20 HB3 CYS 20 -0.523 -11.210 -7.034 136 HA PRO 21 HA PRO 21 -0.179 -13.786 -2.860 137 HB2 PRO 21 HB2 PRO 21 -2.321 -12.323 -2.060 138 HB3 PRO 21 HB3 PRO 21 -0.658 -11.911 -1.623 139 HG2 PRO 21 HG2 PRO 21 -2.389 -10.769 -3.782 140 HG3 PRO 21 HG3 PRO 21 -1.310 -9.930 -2.652 141 HD2 PRO 21 HD2 PRO 21 -0.609 -10.459 -5.213 142 HD3 PRO 21 HD3 PRO 21 0.573 -10.419 -3.889 143 H THR 22 H THR 22 -1.776 -15.326 -2.596 144 HA THR 22 HA THR 22 -3.448 -15.804 -4.917 145 HB THR 22 HB THR 22 -4.070 -17.912 -3.566 146 HG1 THR 22 HG1 THR 22 -3.318 -17.823 -1.587 147 HG21 THR 22 HG21 THR 22 -2.532 -17.908 -5.480 148 HG22 THR 22 HG22 THR 22 -2.010 -19.041 -4.234 149 HG23 THR 22 HG23 THR 22 -1.201 -17.484 -4.405 150 H ASP 23 H ASP 23 -3.776 -14.640 -1.679 151 HA ASP 23 HA ASP 23 -6.521 -15.187 -1.287 152 HB2 ASP 23 HB2 ASP 23 -4.965 -12.875 -0.117 153 HB3 ASP 23 HB3 ASP 23 -6.409 -13.637 0.547 154 H ARG 24 H ARG 24 -4.842 -12.799 -3.128 155 HA ARG 24 HA ARG 24 -7.183 -11.087 -3.372 156 HB2 ARG 24 HB2 ARG 24 -4.463 -10.870 -4.674 157 HB3 ARG 24 HB3 ARG 24 -5.732 -9.654 -4.737 158 HG2 ARG 24 HG2 ARG 24 -4.785 -10.550 -2.070 159 HG3 ARG 24 HG3 ARG 24 -3.739 -9.496 -3.022 160 HD2 ARG 24 HD2 ARG 24 -4.994 -7.993 -1.778 161 HD3 ARG 24 HD3 ARG 24 -5.853 -8.046 -3.317 162 HE ARG 24 HE ARG 24 -7.047 -9.956 -1.744 163 HH11 ARG 24 HH11 ARG 24 -6.487 -6.525 -1.547 164 HH12 ARG 24 HH12 ARG 24 -7.913 -6.215 -0.613 165 HH21 ARG 24 HH21 ARG 24 -8.926 -9.560 -0.514 166 HH22 ARG 24 HH22 ARG 24 -9.299 -7.942 -0.025 167 H GLY 25 H GLY 25 -7.590 -10.293 -5.733 168 HA2 GLY 25 HA2 GLY 25 -7.855 -12.713 -7.407 169 HA3 GLY 25 HA3 GLY 25 -9.024 -11.400 -7.378 170 H TYR 26 H TYR 26 -5.511 -11.763 -7.889 171 HA TYR 26 HA TYR 26 -5.600 -9.669 -9.906 172 HB2 TYR 26 HB2 TYR 26 -3.273 -11.240 -8.782 173 HB3 TYR 26 HB3 TYR 26 -3.135 -9.906 -9.922 174 HD1 TYR 26 HD1 TYR 26 -4.948 -7.904 -8.899 175 HD2 TYR 26 HD2 TYR 26 -2.390 -10.546 -6.760 176 HE1 TYR 26 HE1 TYR 26 -4.875 -6.309 -7.027 177 HE2 TYR 26 HE2 TYR 26 -2.311 -8.960 -4.882 178 HH TYR 26 HH TYR 26 -3.174 -5.816 -5.095 179 H THR 27 H THR 27 -5.128 -9.942 -12.062 180 HA THR 27 HA THR 27 -5.210 -12.721 -13.024 181 HB THR 27 HB THR 27 -5.957 -11.700 -15.201 182 HG1 THR 27 HG1 THR 27 -6.773 -9.526 -15.015 183 HG21 THR 27 HG21 THR 27 -7.499 -12.670 -13.461 184 HG22 THR 27 HG22 THR 27 -8.236 -11.482 -14.535 185 HG23 THR 27 HG23 THR 27 -7.777 -11.023 -12.895 186 H GLY 28 H GLY 28 -3.721 -9.560 -13.704 187 HA2 GLY 28 HA2 GLY 28 -1.428 -11.021 -14.860 188 HA3 GLY 28 HA3 GLY 28 -2.066 -9.567 -15.614 189 H SER 29 H SER 29 0.618 -9.945 -14.742 190 HA SER 29 HA SER 29 0.794 -7.699 -12.881 191 HB2 SER 29 HB2 SER 29 2.244 -8.760 -11.364 192 HB3 SER 29 HB3 SER 29 1.006 -9.976 -11.676 193 HG SER 29 HG SER 29 2.962 -10.987 -11.873 194 H CYS 30 H CYS 30 2.591 -6.407 -13.157 195 HA CYS 30 HA CYS 30 4.362 -7.129 -15.401 196 HB2 CYS 30 HB2 CYS 30 3.469 -4.336 -14.664 197 HB3 CYS 30 HB3 CYS 30 4.425 -4.806 -16.065 198 H ARG 31 H ARG 31 6.453 -7.218 -14.927 199 HA ARG 31 HA ARG 31 7.507 -6.927 -12.390 200 HB2 ARG 31 HB2 ARG 31 8.599 -7.204 -15.110 201 HB3 ARG 31 HB3 ARG 31 9.691 -6.446 -13.959 202 HG2 ARG 31 HG2 ARG 31 8.312 -8.943 -13.137 203 HG3 ARG 31 HG3 ARG 31 9.628 -9.057 -14.309 204 HD2 ARG 31 HD2 ARG 31 9.905 -7.568 -11.713 205 HD3 ARG 31 HD3 ARG 31 10.241 -9.294 -11.849 206 HE ARG 31 HE ARG 31 11.914 -7.159 -12.705 207 HH11 ARG 31 HH11 ARG 31 10.941 -10.412 -13.474 208 HH12 ARG 31 HH12 ARG 31 12.421 -10.802 -14.286 209 HH21 ARG 31 HH21 ARG 31 13.867 -7.660 -13.772 210 HH22 ARG 31 HH22 ARG 31 14.085 -9.236 -14.454 211 H TYR 32 H TYR 32 8.406 -5.304 -11.228 212 HA TYR 32 HA TYR 32 8.208 -2.604 -12.374 213 HB2 TYR 32 HB2 TYR 32 6.971 -3.413 -10.184 214 HB3 TYR 32 HB3 TYR 32 8.529 -3.073 -9.441 215 HD1 TYR 32 HD1 TYR 32 5.932 -1.506 -11.610 216 HD2 TYR 32 HD2 TYR 32 9.024 -0.908 -8.750 217 HE1 TYR 32 HE1 TYR 32 5.339 0.877 -11.476 218 HE2 TYR 32 HE2 TYR 32 8.440 1.477 -8.607 219 HH TYR 32 HH TYR 32 7.023 3.145 -10.614 220 H PHE 33 H PHE 33 9.796 -1.019 -11.285 221 HA PHE 33 HA PHE 33 12.384 -1.647 -12.073 222 HB2 PHE 33 HB2 PHE 33 11.249 0.649 -11.502 223 HB3 PHE 33 HB3 PHE 33 11.921 0.362 -9.899 224 HD1 PHE 33 HD1 PHE 33 12.820 0.677 -13.478 225 HD2 PHE 33 HD2 PHE 33 14.169 0.810 -9.444 226 HE1 PHE 33 HE1 PHE 33 14.985 1.569 -14.236 227 HE2 PHE 33 HE2 PHE 33 16.336 1.702 -10.193 228 HZ PHE 33 HZ PHE 33 16.746 2.083 -12.591 229 H LEU 34 H LEU 34 11.115 -1.442 -8.747 230 HA LEU 34 HA LEU 34 13.450 -2.962 -7.823 231 HB2 LEU 34 HB2 LEU 34 11.485 -1.163 -6.449 232 HB3 LEU 34 HB3 LEU 34 12.487 -2.286 -5.532 233 HG LEU 34 HG LEU 34 13.930 -0.521 -7.404 234 HD11 LEU 34 HD11 LEU 34 12.526 0.543 -4.961 235 HD12 LEU 34 HD12 LEU 34 12.332 1.083 -6.628 236 HD13 LEU 34 HD13 LEU 34 13.853 1.363 -5.782 237 HD21 LEU 34 HD21 LEU 34 14.316 -1.385 -4.541 238 HD22 LEU 34 HD22 LEU 34 15.441 -0.371 -5.445 239 HD23 LEU 34 HD23 LEU 34 15.135 -2.029 -5.964 240 H GLY 35 H GLY 35 9.906 -2.881 -7.581 241 HA2 GLY 35 HA2 GLY 35 10.000 -5.706 -6.720 242 HA3 GLY 35 HA3 GLY 35 8.732 -4.582 -6.256 243 H THR 36 H THR 36 6.925 -5.362 -7.145 244 HA THR 36 HA THR 36 6.839 -5.603 -10.057 245 HB THR 36 HB THR 36 5.499 -7.713 -8.387 246 HG1 THR 36 HG1 THR 36 7.372 -8.629 -8.079 247 HG21 THR 36 HG21 THR 36 6.204 -8.809 -10.786 248 HG22 THR 36 HG22 THR 36 5.887 -7.134 -11.237 249 HG23 THR 36 HG23 THR 36 4.637 -8.084 -10.432 250 H CYS 37 H CYS 37 4.633 -5.597 -10.912 251 HA CYS 37 HA CYS 37 2.782 -4.181 -9.108 252 HB2 CYS 37 HB2 CYS 37 3.638 -2.767 -10.932 253 HB3 CYS 37 HB3 CYS 37 3.046 -3.933 -12.113 254 H CYS 38 H CYS 38 1.097 -5.370 -8.537 255 HA CYS 38 HA CYS 38 0.213 -7.548 -10.284 256 HB2 CYS 38 HB2 CYS 38 -0.417 -6.935 -7.390 257 HB3 CYS 38 HB3 CYS 38 -1.077 -8.299 -8.286 258 H THR 39 H THR 39 -1.546 -7.345 -11.490 259 HA THR 39 HA THR 39 -3.559 -5.334 -10.722 260 HB THR 39 HB THR 39 -3.987 -5.366 -13.334 261 HG1 THR 39 HG1 THR 39 -1.282 -6.185 -13.031 262 HG21 THR 39 HG21 THR 39 -3.419 -3.381 -12.017 263 HG22 THR 39 HG22 THR 39 -2.545 -3.396 -13.548 264 HG23 THR 39 HG23 THR 39 -1.717 -3.837 -12.055 265 HA PRO 40 HA PRO 40 -5.431 -4.687 -12.173 266 HB2 PRO 40 HB2 PRO 40 -7.918 -4.561 -11.091 267 HB3 PRO 40 HB3 PRO 40 -7.619 -5.075 -12.757 268 HG2 PRO 40 HG2 PRO 40 -8.111 -6.741 -10.319 269 HG3 PRO 40 HG3 PRO 40 -8.762 -6.936 -11.956 270 HD2 PRO 40 HD2 PRO 40 -6.693 -8.414 -11.027 271 HD3 PRO 40 HD3 PRO 40 -6.844 -7.952 -12.733 272 H ALA 41 H ALA 41 -6.176 -2.930 -10.600 273 HA ALA 41 HA ALA 41 -4.693 -3.238 -8.161 274 HB1 ALA 41 HB1 ALA 41 -4.417 -1.077 -8.624 275 HB2 ALA 41 HB2 ALA 41 -5.810 -1.050 -9.706 276 HB3 ALA 41 HB3 ALA 41 -6.037 -0.833 -7.971 277 H ASP 42 H ASP 42 -5.553 -4.372 -6.540 278 HA ASP 42 HA ASP 42 -8.279 -4.835 -6.111 279 HB2 ASP 42 HB2 ASP 42 -7.653 -5.953 -4.165 280 HB3 ASP 42 HB3 ASP 42 -6.194 -6.050 -5.146 Start of MODEL 15 1 H1 GLY 1 H GLY 1 0.363 -0.145 -0.341 2 HA2 GLY 1 HA2 GLY 1 2.681 0.378 -0.519 3 HA3 GLY 1 HA3 GLY 1 2.761 -0.608 -1.972 4 H THR 2 H THR 2 3.106 0.550 -3.733 5 HA THR 2 HA THR 2 2.084 3.306 -3.833 6 HB THR 2 HB THR 2 4.103 2.317 -5.797 7 HG1 THR 2 HG1 THR 2 5.681 3.104 -4.105 8 HG21 THR 2 HG21 THR 2 3.797 4.491 -6.310 9 HG22 THR 2 HG22 THR 2 4.873 4.782 -4.943 10 HG23 THR 2 HG23 THR 2 3.125 4.872 -4.725 11 H ALA 3 H ALA 3 1.527 4.088 -6.069 12 HA ALA 3 HA ALA 3 -0.260 2.148 -7.306 13 HB1 ALA 3 HB1 ALA 3 0.037 5.106 -7.819 14 HB2 ALA 3 HB2 ALA 3 -1.231 4.058 -8.458 15 HB3 ALA 3 HB3 ALA 3 -1.130 4.362 -6.725 16 H CYS 4 H CYS 4 0.337 1.018 -9.023 17 HA CYS 4 HA CYS 4 2.359 2.166 -10.835 18 HB2 CYS 4 HB2 CYS 4 2.983 -0.217 -11.346 19 HB3 CYS 4 HB3 CYS 4 3.359 0.305 -9.707 20 H SER 5 H SER 5 2.270 1.076 -13.059 21 HA SER 5 HA SER 5 -0.465 0.413 -13.859 22 HB2 SER 5 HB2 SER 5 0.408 2.029 -15.937 23 HB3 SER 5 HB3 SER 5 -0.766 2.479 -14.701 24 HG SER 5 HG SER 5 2.042 2.848 -14.497 25 H CYS 6 H CYS 6 -0.622 -0.918 -15.639 26 HA CYS 6 HA CYS 6 1.910 -2.105 -16.526 27 HB2 CYS 6 HB2 CYS 6 -0.877 -3.117 -16.222 28 HB3 CYS 6 HB3 CYS 6 0.124 -3.833 -17.481 29 H GLY 7 H GLY 7 -0.761 -0.227 -17.609 30 HA2 GLY 7 HA2 GLY 7 0.407 0.493 -20.034 31 HA3 GLY 7 HA3 GLY 7 -0.676 -0.850 -20.370 32 H ASN 8 H ASN 8 -2.934 -0.576 -19.424 33 HA ASN 8 HA ASN 8 -3.769 2.243 -19.589 34 HB2 ASN 8 HB2 ASN 8 -5.112 -0.139 -20.884 35 HB3 ASN 8 HB3 ASN 8 -5.802 1.479 -20.811 36 HD21 ASN 8 HD21 ASN 8 -4.674 3.192 -21.897 37 HD22 ASN 8 HD22 ASN 8 -3.703 2.838 -23.282 38 H SER 9 H SER 9 -3.296 0.396 -17.312 39 HA SER 9 HA SER 9 -5.827 0.876 -15.963 40 HB2 SER 9 HB2 SER 9 -5.769 -1.509 -16.979 41 HB3 SER 9 HB3 SER 9 -4.604 -1.861 -15.703 42 HG SER 9 HG SER 9 -6.195 -1.962 -14.348 43 H LYS 10 H LYS 10 -5.618 0.315 -13.574 44 HA LYS 10 HA LYS 10 -2.956 1.170 -12.671 45 HB2 LYS 10 HB2 LYS 10 -5.494 1.229 -11.045 46 HB3 LYS 10 HB3 LYS 10 -3.995 2.099 -10.746 47 HG2 LYS 10 HG2 LYS 10 -5.182 3.803 -11.625 48 HG3 LYS 10 HG3 LYS 10 -4.589 3.115 -13.138 49 HD2 LYS 10 HD2 LYS 10 -6.629 2.175 -13.664 50 HD3 LYS 10 HD3 LYS 10 -7.155 2.117 -11.980 51 HE2 LYS 10 HE2 LYS 10 -7.152 4.674 -12.087 52 HE3 LYS 10 HE3 LYS 10 -7.051 4.478 -13.836 53 HZ1 LYS 10 HZ1 LYS 10 -9.267 3.884 -12.022 54 HZ2 LYS 10 HZ2 LYS 10 -9.075 2.885 -13.373 55 HZ3 LYS 10 HZ3 LYS 10 -9.292 4.550 -13.578 56 H GLY 11 H GLY 11 -1.919 0.132 -10.950 57 HA2 GLY 11 HA2 GLY 11 -3.122 -2.367 -9.983 58 HA3 GLY 11 HA3 GLY 11 -1.549 -2.436 -10.764 59 H ILE 12 H ILE 12 -1.446 -3.434 -8.389 60 HA ILE 12 HA ILE 12 -0.648 -1.299 -6.530 61 HB ILE 12 HB ILE 12 -1.249 -4.205 -5.964 62 HG12 ILE 12 HG12 ILE 12 -3.240 -2.854 -6.519 63 HG13 ILE 12 HG13 ILE 12 -3.243 -3.363 -4.835 64 HG21 ILE 12 HG21 ILE 12 0.111 -3.819 -4.213 65 HG22 ILE 12 HG22 ILE 12 -0.011 -2.068 -4.371 66 HG23 ILE 12 HG23 ILE 12 -1.289 -2.971 -3.559 67 HD11 ILE 12 HD11 ILE 12 -1.965 -0.808 -5.107 68 HD12 ILE 12 HD12 ILE 12 -3.575 -0.785 -5.828 69 HD13 ILE 12 HD13 ILE 12 -3.369 -1.268 -4.145 70 H TYR 13 H TYR 13 1.443 -0.923 -6.271 71 HA TYR 13 HA TYR 13 3.407 -2.733 -7.372 72 HB2 TYR 13 HB2 TYR 13 3.863 -0.445 -7.763 73 HB3 TYR 13 HB3 TYR 13 3.565 -0.014 -6.083 74 HD1 TYR 13 HD2 TYR 13 5.663 -2.783 -7.413 75 HD2 TYR 13 HD1 TYR 13 5.579 0.973 -5.416 76 HE1 TYR 13 HE2 TYR 13 8.068 -2.988 -6.939 77 HE2 TYR 13 HE1 TYR 13 7.983 0.779 -4.937 78 HH TYR 13 HH TYR 13 9.913 -0.353 -5.629 79 H TRP 14 H TRP 14 4.128 -4.410 -6.254 80 HA TRP 14 HA TRP 14 4.167 -4.272 -3.324 81 HB2 TRP 14 HB2 TRP 14 4.385 -6.658 -5.173 82 HB3 TRP 14 HB3 TRP 14 4.389 -6.733 -3.413 83 HD1 TRP 14 HD1 TRP 14 2.039 -5.909 -6.350 84 HE1 TRP 14 HE1 TRP 14 -0.389 -6.185 -5.544 85 HE3 TRP 14 HE3 TRP 14 2.925 -6.771 -1.389 86 HZ2 TRP 14 HZ2 TRP 14 -1.750 -6.700 -3.125 87 HZ3 TRP 14 HZ3 TRP 14 1.005 -7.145 0.104 88 HH2 TRP 14 HH2 TRP 14 -1.283 -7.109 -0.748 89 H PHE 15 H PHE 15 6.027 -3.907 -2.328 90 HA PHE 15 HA PHE 15 8.497 -3.746 -3.704 91 HB2 PHE 15 HB2 PHE 15 7.684 -3.580 -0.821 92 HB3 PHE 15 HB3 PHE 15 9.390 -3.639 -1.253 93 HD1 PHE 15 HD1 PHE 15 10.240 -1.887 -2.914 94 HD2 PHE 15 HD2 PHE 15 6.528 -1.570 -0.853 95 HE1 PHE 15 HE1 PHE 15 10.216 0.537 -3.336 96 HE2 PHE 15 HE2 PHE 15 6.499 0.855 -1.273 97 HZ PHE 15 HZ PHE 15 8.343 1.911 -2.516 98 H TYR 16 H TYR 16 9.669 -5.404 -4.380 99 HA TYR 16 HA TYR 16 10.609 -7.471 -4.550 100 HB2 TYR 16 HB2 TYR 16 10.579 -7.204 -1.538 101 HB3 TYR 16 HB3 TYR 16 11.470 -8.440 -2.417 102 HD1 TYR 16 HD2 TYR 16 11.153 -4.755 -2.030 103 HD2 TYR 16 HD1 TYR 16 13.632 -8.009 -3.196 104 HE1 TYR 16 HE2 TYR 16 13.059 -3.215 -2.249 105 HE2 TYR 16 HE1 TYR 16 15.547 -6.480 -3.417 106 HH TYR 16 HH TYR 16 15.435 -3.223 -2.286 107 H ARG 17 H ARG 17 8.305 -7.990 -5.296 108 HA ARG 17 HA ARG 17 7.488 -10.417 -3.925 109 HB2 ARG 17 HB2 ARG 17 5.915 -7.935 -3.919 110 HB3 ARG 17 HB3 ARG 17 5.022 -9.354 -4.449 111 HG2 ARG 17 HG2 ARG 17 5.635 -10.508 -2.379 112 HG3 ARG 17 HG3 ARG 17 6.511 -9.071 -1.848 113 HD2 ARG 17 HD2 ARG 17 4.595 -7.881 -1.450 114 HD3 ARG 17 HD3 ARG 17 3.665 -8.772 -2.655 115 HE ARG 17 HE ARG 17 3.026 -10.217 -1.012 116 HH11 ARG 17 HH11 ARG 17 5.893 -8.543 0.034 117 HH12 ARG 17 HH12 ARG 17 5.869 -9.226 1.626 118 HH21 ARG 17 HH21 ARG 17 2.984 -11.124 1.081 119 HH22 ARG 17 HH22 ARG 17 4.215 -10.694 2.219 120 HA PRO 18 HA PRO 18 7.475 -10.703 -8.543 121 HB2 PRO 18 HB2 PRO 18 8.731 -13.110 -8.619 122 HB3 PRO 18 HB3 PRO 18 9.601 -11.574 -8.541 123 HG2 PRO 18 HG2 PRO 18 8.953 -13.497 -6.340 124 HG3 PRO 18 HG3 PRO 18 10.465 -12.626 -6.656 125 HD2 PRO 18 HD2 PRO 18 8.680 -11.818 -4.787 126 HD3 PRO 18 HD3 PRO 18 9.687 -10.678 -5.702 127 H SER 19 H SER 19 6.153 -12.406 -5.930 128 HA SER 19 HA SER 19 4.428 -13.950 -7.754 129 HB2 SER 19 HB2 SER 19 5.358 -14.743 -4.984 130 HB3 SER 19 HB3 SER 19 4.214 -15.652 -5.972 131 HG SER 19 HG SER 19 6.276 -16.508 -6.234 132 H CYS 20 H CYS 20 2.610 -12.770 -7.844 133 HA CYS 20 HA CYS 20 1.583 -11.047 -5.953 134 HB2 CYS 20 HB2 CYS 20 0.177 -12.709 -8.045 135 HB3 CYS 20 HB3 CYS 20 -0.653 -11.497 -7.074 136 HA PRO 21 HA PRO 21 -0.098 -13.430 -2.674 137 HB2 PRO 21 HB2 PRO 21 -2.299 -11.980 -2.023 138 HB3 PRO 21 HB3 PRO 21 -0.654 -11.442 -1.666 139 HG2 PRO 21 HG2 PRO 21 -2.457 -10.651 -3.920 140 HG3 PRO 21 HG3 PRO 21 -1.409 -9.632 -2.915 141 HD2 PRO 21 HD2 PRO 21 -0.708 -10.436 -5.405 142 HD3 PRO 21 HD3 PRO 21 0.483 -10.180 -4.114 143 H THR 22 H THR 22 -2.009 -14.640 -1.953 144 HA THR 22 HA THR 22 -3.544 -15.617 -4.256 145 HB THR 22 HB THR 22 -3.977 -17.625 -2.961 146 HG1 THR 22 HG1 THR 22 -2.340 -16.600 -0.885 147 HG21 THR 22 HG21 THR 22 -1.108 -17.359 -2.371 148 HG22 THR 22 HG22 THR 22 -1.571 -16.938 -4.020 149 HG23 THR 22 HG23 THR 22 -1.954 -18.534 -3.376 150 H ASP 23 H ASP 23 -3.865 -14.027 -1.196 151 HA ASP 23 HA ASP 23 -6.618 -14.537 -0.753 152 HB2 ASP 23 HB2 ASP 23 -4.827 -12.300 0.210 153 HB3 ASP 23 HB3 ASP 23 -6.478 -12.550 0.770 154 H ARG 24 H ARG 24 -4.905 -12.334 -2.796 155 HA ARG 24 HA ARG 24 -7.248 -10.668 -3.248 156 HB2 ARG 24 HB2 ARG 24 -4.534 -10.551 -4.575 157 HB3 ARG 24 HB3 ARG 24 -5.796 -9.330 -4.665 158 HG2 ARG 24 HG2 ARG 24 -4.622 -10.138 -2.034 159 HG3 ARG 24 HG3 ARG 24 -3.824 -8.951 -3.068 160 HD2 ARG 24 HD2 ARG 24 -5.138 -7.646 -1.658 161 HD3 ARG 24 HD3 ARG 24 -6.109 -7.775 -3.123 162 HE ARG 24 HE ARG 24 -6.891 -9.854 -1.475 163 HH11 ARG 24 HH11 ARG 24 -6.860 -6.374 -1.377 164 HH12 ARG 24 HH12 ARG 24 -8.257 -6.260 -0.359 165 HH21 ARG 24 HH21 ARG 24 -8.731 -9.718 -0.133 166 HH22 ARG 24 HH22 ARG 24 -9.320 -8.163 0.350 167 H GLY 25 H GLY 25 -7.539 -10.091 -5.718 168 HA2 GLY 25 HA2 GLY 25 -7.724 -12.658 -7.172 169 HA3 GLY 25 HA3 GLY 25 -8.978 -11.429 -7.231 170 H TYR 26 H TYR 26 -5.435 -11.459 -7.654 171 HA TYR 26 HA TYR 26 -5.668 -9.565 -9.833 172 HB2 TYR 26 HB2 TYR 26 -3.218 -10.921 -8.687 173 HB3 TYR 26 HB3 TYR 26 -3.216 -9.581 -9.828 174 HD1 TYR 26 HD1 TYR 26 -5.176 -7.742 -8.773 175 HD2 TYR 26 HD2 TYR 26 -2.364 -10.152 -6.679 176 HE1 TYR 26 HE1 TYR 26 -5.209 -6.145 -6.903 177 HE2 TYR 26 HE2 TYR 26 -2.389 -8.563 -4.804 178 HH TYR 26 HH TYR 26 -3.043 -5.797 -4.745 179 H THR 27 H THR 27 -5.124 -9.935 -11.968 180 HA THR 27 HA THR 27 -5.044 -12.770 -12.756 181 HB THR 27 HB THR 27 -5.798 -11.849 -15.023 182 HG1 THR 27 HG1 THR 27 -6.961 -9.803 -14.757 183 HG21 THR 27 HG21 THR 27 -7.908 -11.290 -12.998 184 HG22 THR 27 HG22 THR 27 -7.201 -12.906 -13.041 185 HG23 THR 27 HG23 THR 27 -7.987 -12.249 -14.476 186 H GLY 28 H GLY 28 -3.812 -9.567 -13.730 187 HA2 GLY 28 HA2 GLY 28 -1.503 -10.948 -14.950 188 HA3 GLY 28 HA3 GLY 28 -2.134 -9.404 -15.504 189 H SER 29 H SER 29 0.578 -10.068 -14.695 190 HA SER 29 HA SER 29 0.907 -7.961 -12.697 191 HB2 SER 29 HB2 SER 29 2.316 -9.225 -11.271 192 HB3 SER 29 HB3 SER 29 0.932 -10.271 -11.592 193 HG SER 29 HG SER 29 3.426 -10.874 -11.953 194 H CYS 30 H CYS 30 2.595 -6.649 -13.101 195 HA CYS 30 HA CYS 30 4.458 -7.459 -15.237 196 HB2 CYS 30 HB2 CYS 30 3.629 -4.625 -14.606 197 HB3 CYS 30 HB3 CYS 30 4.535 -5.192 -16.005 198 H ARG 31 H ARG 31 6.522 -7.584 -14.671 199 HA ARG 31 HA ARG 31 7.495 -7.222 -12.116 200 HB2 ARG 31 HB2 ARG 31 9.687 -7.481 -13.021 201 HB3 ARG 31 HB3 ARG 31 8.607 -8.469 -13.996 202 HG2 ARG 31 HG2 ARG 31 9.362 -7.458 -15.809 203 HG3 ARG 31 HG3 ARG 31 8.705 -5.933 -15.213 204 HD2 ARG 31 HD2 ARG 31 10.984 -6.125 -13.755 205 HD3 ARG 31 HD3 ARG 31 11.474 -6.919 -15.251 206 HE ARG 31 HE ARG 31 10.167 -4.503 -15.859 207 HH11 ARG 31 HH11 ARG 31 13.137 -5.691 -14.484 208 HH12 ARG 31 HH12 ARG 31 14.065 -4.309 -14.966 209 HH21 ARG 31 HH21 ARG 31 11.378 -2.679 -16.498 210 HH22 ARG 31 HH22 ARG 31 13.063 -2.596 -16.111 211 H TYR 32 H TYR 32 8.716 -5.626 -11.088 212 HA TYR 32 HA TYR 32 8.482 -2.940 -12.280 213 HB2 TYR 32 HB2 TYR 32 7.171 -3.645 -10.093 214 HB3 TYR 32 HB3 TYR 32 8.720 -3.311 -9.325 215 HD1 TYR 32 HD2 TYR 32 6.207 -1.771 -11.609 216 HD2 TYR 32 HD1 TYR 32 9.248 -1.133 -8.703 217 HE1 TYR 32 HE2 TYR 32 5.665 0.628 -11.577 218 HE2 TYR 32 HE1 TYR 32 8.714 1.267 -8.663 219 HH TYR 32 HH TYR 32 7.550 2.926 -10.544 220 H PHE 33 H PHE 33 10.086 -1.365 -11.191 221 HA PHE 33 HA PHE 33 12.673 -2.082 -11.897 222 HB2 PHE 33 HB2 PHE 33 11.592 0.258 -11.413 223 HB3 PHE 33 HB3 PHE 33 12.210 -0.006 -9.786 224 HD1 PHE 33 HD1 PHE 33 13.287 0.006 -13.346 225 HD2 PHE 33 HD2 PHE 33 14.387 0.579 -9.274 226 HE1 PHE 33 HE1 PHE 33 15.496 0.817 -14.061 227 HE2 PHE 33 HE2 PHE 33 16.598 1.392 -9.983 228 HZ PHE 33 HZ PHE 33 17.155 1.513 -12.379 229 H LEU 34 H LEU 34 11.246 -1.883 -8.643 230 HA LEU 34 HA LEU 34 13.547 -3.394 -7.611 231 HB2 LEU 34 HB2 LEU 34 11.673 -1.415 -6.421 232 HB3 LEU 34 HB3 LEU 34 12.355 -2.654 -5.370 233 HG LEU 34 HG LEU 34 14.191 -1.014 -7.057 234 HD11 LEU 34 HD11 LEU 34 13.009 -0.094 -4.441 235 HD12 LEU 34 HD12 LEU 34 12.683 0.615 -6.021 236 HD13 LEU 34 HD13 LEU 34 14.305 0.698 -5.337 237 HD21 LEU 34 HD21 LEU 34 14.736 -1.676 -4.236 238 HD22 LEU 34 HD22 LEU 34 15.788 -1.761 -5.650 239 HD23 LEU 34 HD23 LEU 34 14.618 -3.044 -5.343 240 H GLY 35 H GLY 35 9.999 -3.218 -7.438 241 HA2 GLY 35 HA2 GLY 35 10.005 -6.040 -6.562 242 HA3 GLY 35 HA3 GLY 35 8.758 -4.880 -6.128 243 H THR 36 H THR 36 6.952 -5.639 -7.038 244 HA THR 36 HA THR 36 6.900 -5.875 -9.952 245 HB THR 36 HB THR 36 5.556 -7.981 -8.269 246 HG1 THR 36 HG1 THR 36 7.485 -8.788 -7.968 247 HG21 THR 36 HG21 THR 36 4.617 -8.382 -10.267 248 HG22 THR 36 HG22 THR 36 6.192 -9.023 -10.739 249 HG23 THR 36 HG23 THR 36 5.773 -7.351 -11.110 250 H CYS 37 H CYS 37 4.771 -5.701 -10.864 251 HA CYS 37 HA CYS 37 2.902 -4.296 -9.076 252 HB2 CYS 37 HB2 CYS 37 3.815 -2.942 -10.933 253 HB3 CYS 37 HB3 CYS 37 3.161 -4.102 -12.085 254 H CYS 38 H CYS 38 1.120 -5.353 -8.549 255 HA CYS 38 HA CYS 38 0.224 -7.570 -10.251 256 HB2 CYS 38 HB2 CYS 38 -0.305 -6.901 -7.355 257 HB3 CYS 38 HB3 CYS 38 -1.157 -8.180 -8.215 258 H THR 39 H THR 39 -1.552 -7.380 -11.440 259 HA THR 39 HA THR 39 -3.498 -5.281 -10.736 260 HB THR 39 HB THR 39 -3.936 -5.371 -13.340 261 HG1 THR 39 HG1 THR 39 -1.257 -6.276 -13.037 262 HG21 THR 39 HG21 THR 39 -1.583 -3.899 -12.146 263 HG22 THR 39 HG22 THR 39 -3.267 -3.379 -12.067 264 HG23 THR 39 HG23 THR 39 -2.442 -3.462 -13.623 265 HA PRO 40 HA PRO 40 -5.354 -4.625 -12.200 266 HB2 PRO 40 HB2 PRO 40 -7.833 -4.393 -11.117 267 HB3 PRO 40 HB3 PRO 40 -7.554 -4.965 -12.766 268 HG2 PRO 40 HG2 PRO 40 -8.086 -6.542 -10.277 269 HG3 PRO 40 HG3 PRO 40 -8.749 -6.766 -11.907 270 HD2 PRO 40 HD2 PRO 40 -6.722 -8.277 -10.937 271 HD3 PRO 40 HD3 PRO 40 -6.865 -7.861 -12.657 272 H ALA 41 H ALA 41 -6.054 -2.802 -10.676 273 HA ALA 41 HA ALA 41 -4.560 -3.067 -8.241 274 HB1 ALA 41 HB1 ALA 41 -5.719 -0.894 -9.809 275 HB2 ALA 41 HB2 ALA 41 -5.810 -0.637 -8.066 276 HB3 ALA 41 HB3 ALA 41 -4.250 -0.933 -8.834 277 H ASP 42 H ASP 42 -5.396 -4.066 -6.531 278 HA ASP 42 HA ASP 42 -8.056 -4.645 -6.049 279 HB2 ASP 42 HB2 ASP 42 -7.406 -5.347 -3.897 280 HB3 ASP 42 HB3 ASP 42 -5.960 -5.558 -4.881 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.253 1.343 0.157 2 HA2 GLY 1 HA2 GLY 1 2.913 -0.137 -1.628 3 HA3 GLY 1 HA3 GLY 1 1.223 -0.574 -1.833 4 H THR 2 H THR 2 3.036 0.752 -3.704 5 HA THR 2 HA THR 2 1.854 3.429 -3.901 6 HB THR 2 HB THR 2 3.944 2.456 -5.806 7 HG1 THR 2 HG1 THR 2 4.439 3.329 -3.135 8 HG21 THR 2 HG21 THR 2 2.847 5.011 -4.847 9 HG22 THR 2 HG22 THR 2 3.564 4.598 -6.404 10 HG23 THR 2 HG23 THR 2 4.601 4.979 -5.031 11 H ALA 3 H ALA 3 1.277 4.172 -6.130 12 HA ALA 3 HA ALA 3 -0.421 2.165 -7.377 13 HB1 ALA 3 HB1 ALA 3 -0.208 5.131 -7.877 14 HB2 ALA 3 HB2 ALA 3 -1.407 4.050 -8.588 15 HB3 ALA 3 HB3 ALA 3 -1.396 4.331 -6.848 16 H CYS 4 H CYS 4 0.053 1.151 -9.214 17 HA CYS 4 HA CYS 4 2.131 2.298 -10.958 18 HB2 CYS 4 HB2 CYS 4 2.735 -0.120 -11.485 19 HB3 CYS 4 HB3 CYS 4 3.204 0.474 -9.895 20 H SER 5 H SER 5 2.076 1.215 -13.186 21 HA SER 5 HA SER 5 -0.663 0.556 -14.001 22 HB2 SER 5 HB2 SER 5 0.317 2.099 -16.104 23 HB3 SER 5 HB3 SER 5 -0.907 2.586 -14.932 24 HG SER 5 HG SER 5 0.502 3.832 -13.968 25 H CYS 6 H CYS 6 -0.830 -0.841 -15.719 26 HA CYS 6 HA CYS 6 1.693 -2.071 -16.585 27 HB2 CYS 6 HB2 CYS 6 -1.084 -3.087 -16.183 28 HB3 CYS 6 HB3 CYS 6 -0.087 -3.863 -17.409 29 H GLY 7 H GLY 7 -0.840 -0.097 -17.669 30 HA2 GLY 7 HA2 GLY 7 0.204 0.466 -20.146 31 HA3 GLY 7 HA3 GLY 7 -0.862 -0.904 -20.416 32 H ASN 8 H ASN 8 -3.104 -0.613 -19.380 33 HA ASN 8 HA ASN 8 -3.987 2.178 -19.669 34 HB2 ASN 8 HB2 ASN 8 -5.272 -0.278 -20.875 35 HB3 ASN 8 HB3 ASN 8 -6.050 1.300 -20.799 36 HD21 ASN 8 HD21 ASN 8 -5.814 2.555 -22.497 37 HD22 ASN 8 HD22 ASN 8 -4.567 2.435 -23.686 38 H SER 9 H SER 9 -3.461 0.351 -17.351 39 HA SER 9 HA SER 9 -5.943 0.910 -15.946 40 HB2 SER 9 HB2 SER 9 -5.996 -1.480 -16.936 41 HB3 SER 9 HB3 SER 9 -4.793 -1.861 -15.704 42 HG SER 9 HG SER 9 -7.491 -1.370 -15.447 43 H LYS 10 H LYS 10 -5.689 0.360 -13.558 44 HA LYS 10 HA LYS 10 -2.979 1.140 -12.732 45 HB2 LYS 10 HB2 LYS 10 -5.677 1.506 -11.438 46 HB3 LYS 10 HB3 LYS 10 -4.174 1.767 -10.564 47 HG2 LYS 10 HG2 LYS 10 -5.031 3.225 -13.056 48 HG3 LYS 10 HG3 LYS 10 -5.105 3.856 -11.409 49 HD2 LYS 10 HD2 LYS 10 -2.565 3.306 -11.364 50 HD3 LYS 10 HD3 LYS 10 -2.713 3.302 -13.122 51 HE2 LYS 10 HE2 LYS 10 -3.654 5.582 -11.399 52 HE3 LYS 10 HE3 LYS 10 -2.024 5.493 -12.067 53 HZ1 LYS 10 HZ1 LYS 10 -4.585 5.857 -13.469 54 HZ2 LYS 10 HZ2 LYS 10 -3.279 5.159 -14.286 55 HZ3 LYS 10 HZ3 LYS 10 -3.138 6.717 -13.642 56 H GLY 11 H GLY 11 -2.006 0.148 -10.903 57 HA2 GLY 11 HA2 GLY 11 -3.241 -2.338 -9.953 58 HA3 GLY 11 HA3 GLY 11 -1.660 -2.436 -10.714 59 H ILE 12 H ILE 12 -1.382 -3.419 -8.438 60 HA ILE 12 HA ILE 12 -0.701 -1.291 -6.521 61 HB ILE 12 HB ILE 12 -1.180 -4.227 -6.000 62 HG12 ILE 12 HG12 ILE 12 -3.249 -3.051 -6.506 63 HG13 ILE 12 HG13 ILE 12 -3.183 -3.422 -4.786 64 HG21 ILE 12 HG21 ILE 12 -1.227 -3.236 -3.572 65 HG22 ILE 12 HG22 ILE 12 0.299 -3.677 -4.335 66 HG23 ILE 12 HG23 ILE 12 -0.209 -1.989 -4.291 67 HD11 ILE 12 HD11 ILE 12 -2.040 -0.881 -5.075 68 HD12 ILE 12 HD12 ILE 12 -3.486 -0.896 -6.085 69 HD13 ILE 12 HD13 ILE 12 -3.603 -1.295 -4.371 70 H TYR 13 H TYR 13 1.374 -0.874 -6.173 71 HA TYR 13 HA TYR 13 3.400 -2.587 -7.340 72 HB2 TYR 13 HB2 TYR 13 3.767 -0.280 -7.720 73 HB3 TYR 13 HB3 TYR 13 3.467 0.128 -6.034 74 HD1 TYR 13 HD2 TYR 13 5.648 -2.562 -7.386 75 HD2 TYR 13 HD1 TYR 13 5.453 1.191 -5.392 76 HE1 TYR 13 HE2 TYR 13 8.062 -2.684 -6.933 77 HE2 TYR 13 HE1 TYR 13 7.867 1.080 -4.934 78 HH TYR 13 HH TYR 13 9.759 -1.783 -5.735 79 H TRP 14 H TRP 14 4.054 -4.293 -6.212 80 HA TRP 14 HA TRP 14 4.164 -4.134 -3.289 81 HB2 TRP 14 HB2 TRP 14 4.394 -6.528 -5.127 82 HB3 TRP 14 HB3 TRP 14 4.395 -6.589 -3.366 83 HD1 TRP 14 HD1 TRP 14 2.048 -5.852 -6.323 84 HE1 TRP 14 HE1 TRP 14 -0.381 -6.128 -5.517 85 HE3 TRP 14 HE3 TRP 14 2.923 -6.566 -1.337 86 HZ2 TRP 14 HZ2 TRP 14 -1.745 -6.586 -3.089 87 HZ3 TRP 14 HZ3 TRP 14 1.001 -6.916 0.159 88 HH2 TRP 14 HH2 TRP 14 -1.284 -6.925 -0.700 89 H PHE 15 H PHE 15 6.034 -3.730 -2.328 90 HA PHE 15 HA PHE 15 8.483 -3.553 -3.733 91 HB2 PHE 15 HB2 PHE 15 7.706 -3.391 -0.840 92 HB3 PHE 15 HB3 PHE 15 9.406 -3.433 -1.295 93 HD1 PHE 15 HD2 PHE 15 10.198 -1.679 -2.999 94 HD2 PHE 15 HD1 PHE 15 6.547 -1.388 -0.832 95 HE1 PHE 15 HE2 PHE 15 10.143 0.743 -3.425 96 HE2 PHE 15 HE1 PHE 15 6.486 1.035 -1.255 97 HZ PHE 15 HZ PHE 15 8.286 2.104 -2.552 98 H TYR 16 H TYR 16 9.690 -5.187 -4.407 99 HA TYR 16 HA TYR 16 10.645 -7.246 -4.589 100 HB2 TYR 16 HB2 TYR 16 10.646 -6.949 -1.580 101 HB3 TYR 16 HB3 TYR 16 11.515 -8.211 -2.446 102 HD1 TYR 16 HD2 TYR 16 11.219 -4.506 -2.199 103 HD2 TYR 16 HD1 TYR 16 13.691 -7.825 -3.183 104 HE1 TYR 16 HE2 TYR 16 13.137 -2.989 -2.467 105 HE2 TYR 16 HE1 TYR 16 15.617 -6.318 -3.453 106 HH TYR 16 HH TYR 16 16.383 -4.216 -3.029 107 H ARG 17 H ARG 17 8.299 -7.749 -5.285 108 HA ARG 17 HA ARG 17 7.549 -10.214 -3.941 109 HB2 ARG 17 HB2 ARG 17 5.956 -7.747 -3.833 110 HB3 ARG 17 HB3 ARG 17 5.058 -9.161 -4.371 111 HG2 ARG 17 HG2 ARG 17 6.004 -10.331 -2.312 112 HG3 ARG 17 HG3 ARG 17 6.457 -8.718 -1.759 113 HD2 ARG 17 HD2 ARG 17 4.260 -8.032 -1.542 114 HD3 ARG 17 HD3 ARG 17 3.665 -9.241 -2.679 115 HE ARG 17 HE ARG 17 4.771 -10.332 -0.252 116 HH11 ARG 17 HH11 ARG 17 1.918 -9.113 -1.829 117 HH12 ARG 17 HH12 ARG 17 0.821 -9.952 -0.782 118 HH21 ARG 17 HH21 ARG 17 3.338 -11.443 1.134 119 HH22 ARG 17 HH22 ARG 17 1.630 -11.277 0.903 120 HA PRO 18 HA PRO 18 7.403 -10.436 -8.553 121 HB2 PRO 18 HB2 PRO 18 8.622 -12.858 -8.693 122 HB3 PRO 18 HB3 PRO 18 9.516 -11.335 -8.613 123 HG2 PRO 18 HG2 PRO 18 8.890 -13.282 -6.427 124 HG3 PRO 18 HG3 PRO 18 10.407 -12.428 -6.763 125 HD2 PRO 18 HD2 PRO 18 8.676 -11.623 -4.843 126 HD3 PRO 18 HD3 PRO 18 9.678 -10.483 -5.763 127 H SER 19 H SER 19 6.113 -12.155 -5.936 128 HA SER 19 HA SER 19 4.310 -13.628 -7.744 129 HB2 SER 19 HB2 SER 19 6.002 -14.653 -5.656 130 HB3 SER 19 HB3 SER 19 4.312 -14.932 -5.234 131 HG SER 19 HG SER 19 5.842 -16.084 -7.186 132 H CYS 20 H CYS 20 2.322 -12.846 -7.645 133 HA CYS 20 HA CYS 20 1.445 -11.051 -5.639 134 HB2 CYS 20 HB2 CYS 20 -0.191 -12.583 -7.674 135 HB3 CYS 20 HB3 CYS 20 -0.738 -11.182 -6.757 136 HA PRO 21 HA PRO 21 -0.155 -13.684 -2.512 137 HB2 PRO 21 HB2 PRO 21 -2.275 -12.230 -1.639 138 HB3 PRO 21 HB3 PRO 21 -0.599 -11.779 -1.306 139 HG2 PRO 21 HG2 PRO 21 -2.462 -10.729 -3.400 140 HG3 PRO 21 HG3 PRO 21 -1.339 -9.840 -2.354 141 HD2 PRO 21 HD2 PRO 21 -0.767 -10.434 -4.934 142 HD3 PRO 21 HD3 PRO 21 0.482 -10.336 -3.678 143 H THR 22 H THR 22 -1.798 -15.164 -2.034 144 HA THR 22 HA THR 22 -3.518 -15.811 -4.278 145 HB THR 22 HB THR 22 -4.089 -17.841 -2.891 146 HG1 THR 22 HG1 THR 22 -2.543 -18.185 -1.122 147 HG21 THR 22 HG21 THR 22 -2.128 -18.985 -3.480 148 HG22 THR 22 HG22 THR 22 -1.116 -17.564 -3.223 149 HG23 THR 22 HG23 THR 22 -2.198 -17.637 -4.614 150 H ASP 23 H ASP 23 -3.768 -14.407 -1.127 151 HA ASP 23 HA ASP 23 -6.498 -14.903 -0.620 152 HB2 ASP 23 HB2 ASP 23 -4.461 -12.976 0.395 153 HB3 ASP 23 HB3 ASP 23 -6.157 -12.633 0.726 154 H ARG 24 H ARG 24 -4.864 -12.630 -2.665 155 HA ARG 24 HA ARG 24 -7.248 -11.002 -3.028 156 HB2 ARG 24 HB2 ARG 24 -4.539 -10.809 -4.358 157 HB3 ARG 24 HB3 ARG 24 -5.836 -9.630 -4.488 158 HG2 ARG 24 HG2 ARG 24 -4.877 -10.317 -1.770 159 HG3 ARG 24 HG3 ARG 24 -3.824 -9.341 -2.795 160 HD2 ARG 24 HD2 ARG 24 -5.099 -7.766 -1.638 161 HD3 ARG 24 HD3 ARG 24 -5.897 -7.889 -3.206 162 HE ARG 24 HE ARG 24 -7.758 -8.633 -2.127 163 HH11 ARG 24 HH11 ARG 24 -5.001 -9.172 -0.071 164 HH12 ARG 24 HH12 ARG 24 -5.945 -9.740 1.267 165 HH21 ARG 24 HH21 ARG 24 -9.011 -9.379 -0.372 166 HH22 ARG 24 HH22 ARG 24 -8.226 -9.858 1.093 167 H GLY 25 H GLY 25 -7.367 -10.335 -5.583 168 HA2 GLY 25 HA2 GLY 25 -7.592 -12.880 -7.065 169 HA3 GLY 25 HA3 GLY 25 -8.893 -11.698 -7.063 170 H TYR 26 H TYR 26 -5.371 -11.722 -7.638 171 HA TYR 26 HA TYR 26 -5.684 -9.694 -9.690 172 HB2 TYR 26 HB2 TYR 26 -3.202 -11.106 -8.687 173 HB3 TYR 26 HB3 TYR 26 -3.224 -9.738 -9.794 174 HD1 TYR 26 HD1 TYR 26 -4.647 -7.658 -8.843 175 HD2 TYR 26 HD2 TYR 26 -2.754 -10.645 -6.477 176 HE1 TYR 26 HE1 TYR 26 -4.598 -6.107 -6.934 177 HE2 TYR 26 HE2 TYR 26 -2.702 -9.103 -4.561 178 HH TYR 26 HH TYR 26 -3.250 -5.805 -4.842 179 H THR 27 H THR 27 -5.046 -9.947 -11.858 180 HA THR 27 HA THR 27 -5.131 -12.736 -12.802 181 HB THR 27 HB THR 27 -5.797 -11.606 -15.027 182 HG1 THR 27 HG1 THR 27 -6.849 -9.569 -14.688 183 HG21 THR 27 HG21 THR 27 -7.810 -12.408 -14.508 184 HG22 THR 27 HG22 THR 27 -8.095 -11.083 -13.380 185 HG23 THR 27 HG23 THR 27 -7.278 -12.546 -12.833 186 H GLY 28 H GLY 28 -3.766 -9.553 -13.671 187 HA2 GLY 28 HA2 GLY 28 -1.461 -10.994 -14.833 188 HA3 GLY 28 HA3 GLY 28 -2.077 -9.477 -15.471 189 H SER 29 H SER 29 0.614 -10.148 -14.537 190 HA SER 29 HA SER 29 0.889 -7.970 -12.594 191 HB2 SER 29 HB2 SER 29 2.382 -9.194 -11.196 192 HB3 SER 29 HB3 SER 29 0.987 -10.242 -11.454 193 HG SER 29 HG SER 29 3.254 -11.108 -11.743 194 H CYS 30 H CYS 30 2.469 -6.573 -13.078 195 HA CYS 30 HA CYS 30 4.357 -7.335 -15.208 196 HB2 CYS 30 HB2 CYS 30 3.466 -4.528 -14.545 197 HB3 CYS 30 HB3 CYS 30 4.362 -5.064 -15.963 198 H ARG 31 H ARG 31 6.421 -7.445 -14.644 199 HA ARG 31 HA ARG 31 7.410 -7.041 -12.101 200 HB2 ARG 31 HB2 ARG 31 9.592 -7.301 -13.015 201 HB3 ARG 31 HB3 ARG 31 8.516 -8.293 -13.989 202 HG2 ARG 31 HG2 ARG 31 9.305 -7.287 -15.793 203 HG3 ARG 31 HG3 ARG 31 8.578 -5.781 -15.229 204 HD2 ARG 31 HD2 ARG 31 10.739 -5.091 -15.390 205 HD3 ARG 31 HD3 ARG 31 10.776 -5.723 -13.745 206 HE ARG 31 HE ARG 31 11.442 -7.737 -15.634 207 HH11 ARG 31 HH11 ARG 31 12.713 -4.934 -14.005 208 HH12 ARG 31 HH12 ARG 31 14.360 -5.461 -14.107 209 HH21 ARG 31 HH21 ARG 31 13.606 -8.441 -15.774 210 HH22 ARG 31 HH22 ARG 31 14.867 -7.455 -15.114 211 H TYR 32 H TYR 32 8.622 -5.417 -11.103 212 HA TYR 32 HA TYR 32 8.344 -2.750 -12.325 213 HB2 TYR 32 HB2 TYR 32 7.062 -3.443 -10.117 214 HB3 TYR 32 HB3 TYR 32 8.613 -3.085 -9.368 215 HD1 TYR 32 HD2 TYR 32 6.081 -1.592 -11.662 216 HD2 TYR 32 HD1 TYR 32 9.111 -0.899 -8.757 217 HE1 TYR 32 HE2 TYR 32 5.516 0.802 -11.652 218 HE2 TYR 32 HE1 TYR 32 8.554 1.496 -8.738 219 HH TYR 32 HH TYR 32 5.770 2.749 -10.450 220 H PHE 33 H PHE 33 9.939 -1.143 -11.265 221 HA PHE 33 HA PHE 33 12.528 -1.836 -11.990 222 HB2 PHE 33 HB2 PHE 33 11.409 0.495 -11.504 223 HB3 PHE 33 HB3 PHE 33 12.081 0.254 -9.895 224 HD1 PHE 33 HD2 PHE 33 12.969 0.462 -13.483 225 HD2 PHE 33 HD1 PHE 33 14.342 0.664 -9.459 226 HE1 PHE 33 HE2 PHE 33 15.144 1.299 -14.270 227 HE2 PHE 33 HE1 PHE 33 16.519 1.503 -10.240 228 HZ PHE 33 HZ PHE 33 16.923 1.820 -12.649 229 H LEU 34 H LEU 34 11.126 -1.627 -8.728 230 HA LEU 34 HA LEU 34 13.455 -3.098 -7.701 231 HB2 LEU 34 HB2 LEU 34 11.576 -1.123 -6.516 232 HB3 LEU 34 HB3 LEU 34 12.275 -2.345 -5.457 233 HG LEU 34 HG LEU 34 14.082 -0.706 -7.176 234 HD11 LEU 34 HD11 LEU 34 12.309 0.684 -5.807 235 HD12 LEU 34 HD12 LEU 34 14.003 1.167 -5.876 236 HD13 LEU 34 HD13 LEU 34 13.390 0.301 -4.467 237 HD21 LEU 34 HD21 LEU 34 14.529 -2.723 -5.437 238 HD22 LEU 34 HD22 LEU 34 14.680 -1.332 -4.363 239 HD23 LEU 34 HD23 LEU 34 15.699 -1.453 -5.798 240 H GLY 35 H GLY 35 9.908 -2.959 -7.500 241 HA2 GLY 35 HA2 GLY 35 9.952 -5.768 -6.585 242 HA3 GLY 35 HA3 GLY 35 8.694 -4.616 -6.160 243 H THR 36 H THR 36 6.887 -5.390 -7.053 244 HA THR 36 HA THR 36 6.814 -5.658 -9.960 245 HB THR 36 HB THR 36 5.524 -7.789 -8.268 246 HG1 THR 36 HG1 THR 36 7.476 -8.535 -7.945 247 HG21 THR 36 HG21 THR 36 5.688 -7.147 -11.094 248 HG22 THR 36 HG22 THR 36 4.628 -8.282 -10.255 249 HG23 THR 36 HG23 THR 36 6.241 -8.787 -10.757 250 H CYS 37 H CYS 37 4.693 -5.489 -10.857 251 HA CYS 37 HA CYS 37 2.799 -4.152 -9.044 252 HB2 CYS 37 HB2 CYS 37 3.652 -2.744 -10.873 253 HB3 CYS 37 HB3 CYS 37 3.068 -3.918 -12.050 254 H CYS 38 H CYS 38 1.123 -5.348 -8.464 255 HA CYS 38 HA CYS 38 0.237 -7.528 -10.208 256 HB2 CYS 38 HB2 CYS 38 -0.249 -6.921 -7.291 257 HB3 CYS 38 HB3 CYS 38 -1.107 -8.193 -8.155 258 H THR 39 H THR 39 -1.525 -7.320 -11.409 259 HA THR 39 HA THR 39 -3.512 -5.278 -10.651 260 HB THR 39 HB THR 39 -4.011 -5.439 -13.250 261 HG1 THR 39 HG1 THR 39 -1.282 -6.205 -12.988 262 HG21 THR 39 HG21 THR 39 -3.358 -3.415 -11.967 263 HG22 THR 39 HG22 THR 39 -2.659 -3.464 -13.586 264 HG23 THR 39 HG23 THR 39 -1.667 -3.864 -12.185 265 HA PRO 40 HA PRO 40 -5.412 -4.673 -12.085 266 HB2 PRO 40 HB2 PRO 40 -7.867 -4.452 -10.950 267 HB3 PRO 40 HB3 PRO 40 -7.620 -5.053 -12.593 268 HG2 PRO 40 HG2 PRO 40 -8.073 -6.588 -10.063 269 HG3 PRO 40 HG3 PRO 40 -8.770 -6.852 -11.671 270 HD2 PRO 40 HD2 PRO 40 -6.700 -8.316 -10.722 271 HD3 PRO 40 HD3 PRO 40 -6.890 -7.937 -12.446 272 H ALA 41 H ALA 41 -6.080 -2.825 -10.587 273 HA ALA 41 HA ALA 41 -4.527 -3.018 -8.188 274 HB1 ALA 41 HB1 ALA 41 -5.684 -0.916 -9.802 275 HB2 ALA 41 HB2 ALA 41 -5.911 -0.616 -8.079 276 HB3 ALA 41 HB3 ALA 41 -4.290 -0.872 -8.724 277 H ASP 42 H ASP 42 -5.320 -4.088 -6.490 278 HA ASP 42 HA ASP 42 -8.171 -3.968 -5.886 279 HB2 ASP 42 HB2 ASP 42 -5.908 -5.649 -4.816 280 HB3 ASP 42 HB3 ASP 42 -7.512 -5.654 -4.090 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.240 -1.907 -0.651 2 HA2 GLY 1 HA2 GLY 1 1.941 -0.070 -0.520 3 HA3 GLY 1 HA3 GLY 1 2.059 -1.005 -2.004 4 H THR 2 H THR 2 2.753 0.515 -3.411 5 HA THR 2 HA THR 2 1.398 3.096 -3.528 6 HB THR 2 HB THR 2 3.555 2.365 -5.455 7 HG1 THR 2 HG1 THR 2 5.096 2.939 -3.791 8 HG21 THR 2 HG21 THR 2 2.623 4.827 -4.012 9 HG22 THR 2 HG22 THR 2 2.777 4.548 -5.747 10 HG23 THR 2 HG23 THR 2 4.220 4.761 -4.756 11 H ALA 3 H ALA 3 0.894 3.962 -5.750 12 HA ALA 3 HA ALA 3 -0.693 1.971 -7.171 13 HB1 ALA 3 HB1 ALA 3 -1.747 3.887 -8.269 14 HB2 ALA 3 HB2 ALA 3 -1.790 4.042 -6.512 15 HB3 ALA 3 HB3 ALA 3 -0.624 4.973 -7.451 16 H CYS 4 H CYS 4 0.072 1.001 -8.920 17 HA CYS 4 HA CYS 4 2.059 2.424 -10.568 18 HB2 CYS 4 HB2 CYS 4 2.863 0.107 -11.205 19 HB3 CYS 4 HB3 CYS 4 3.192 0.598 -9.547 20 H SER 5 H SER 5 2.151 1.474 -12.855 21 HA SER 5 HA SER 5 -0.547 0.789 -13.804 22 HB2 SER 5 HB2 SER 5 0.858 2.423 -15.731 23 HB3 SER 5 HB3 SER 5 -0.733 2.669 -15.012 24 HG SER 5 HG SER 5 0.438 4.374 -14.329 25 H CYS 6 H CYS 6 -0.650 -0.514 -15.627 26 HA CYS 6 HA CYS 6 1.898 -1.783 -16.374 27 HB2 CYS 6 HB2 CYS 6 -0.894 -2.813 -16.081 28 HB3 CYS 6 HB3 CYS 6 0.182 -3.597 -17.234 29 H GLY 7 H GLY 7 0.643 0.679 -17.523 30 HA2 GLY 7 HA2 GLY 7 1.294 1.149 -19.883 31 HA3 GLY 7 HA3 GLY 7 0.367 -0.283 -20.305 32 H ASN 8 H ASN 8 -1.981 -0.158 -19.340 33 HA ASN 8 HA ASN 8 -3.042 2.559 -19.626 34 HB2 ASN 8 HB2 ASN 8 -4.320 0.224 -21.043 35 HB3 ASN 8 HB3 ASN 8 -4.663 1.939 -21.247 36 HD21 ASN 8 HD21 ASN 8 -2.972 -0.697 -22.418 37 HD22 ASN 8 HD22 ASN 8 -1.910 0.133 -23.498 38 H SER 9 H SER 9 -2.661 0.659 -17.385 39 HA SER 9 HA SER 9 -5.358 0.847 -16.317 40 HB2 SER 9 HB2 SER 9 -5.260 -1.409 -17.347 41 HB3 SER 9 HB3 SER 9 -3.870 -1.791 -16.331 42 HG SER 9 HG SER 9 -6.545 -1.690 -15.699 43 H LYS 10 H LYS 10 -5.371 0.197 -13.951 44 HA LYS 10 HA LYS 10 -2.871 1.133 -12.713 45 HB2 LYS 10 HB2 LYS 10 -5.690 1.205 -11.621 46 HB3 LYS 10 HB3 LYS 10 -4.261 1.829 -10.809 47 HG2 LYS 10 HG2 LYS 10 -3.965 3.499 -12.530 48 HG3 LYS 10 HG3 LYS 10 -5.324 2.835 -13.440 49 HD2 LYS 10 HD2 LYS 10 -6.177 4.713 -12.294 50 HD3 LYS 10 HD3 LYS 10 -6.741 3.306 -11.389 51 HE2 LYS 10 HE2 LYS 10 -4.734 3.624 -9.889 52 HE3 LYS 10 HE3 LYS 10 -4.482 5.171 -10.697 53 HZ1 LYS 10 HZ1 LYS 10 -5.791 5.903 -9.040 54 HZ2 LYS 10 HZ2 LYS 10 -6.510 4.397 -8.770 55 HZ3 LYS 10 HZ3 LYS 10 -7.049 5.374 -10.041 56 H GLY 11 H GLY 11 -1.954 0.024 -11.011 57 HA2 GLY 11 HA2 GLY 11 -3.277 -2.418 -10.077 58 HA3 GLY 11 HA3 GLY 11 -1.704 -2.580 -10.843 59 H ILE 12 H ILE 12 -1.863 -3.530 -8.372 60 HA ILE 12 HA ILE 12 -1.022 -1.463 -6.494 61 HB ILE 12 HB ILE 12 -1.438 -4.425 -6.065 62 HG12 ILE 12 HG12 ILE 12 -3.528 -3.272 -6.559 63 HG13 ILE 12 HG13 ILE 12 -3.473 -3.707 -4.854 64 HG21 ILE 12 HG21 ILE 12 -0.080 -3.992 -4.311 65 HG22 ILE 12 HG22 ILE 12 -0.404 -2.260 -4.345 66 HG23 ILE 12 HG23 ILE 12 -1.568 -3.360 -3.608 67 HD11 ILE 12 HD11 ILE 12 -3.953 -1.607 -4.371 68 HD12 ILE 12 HD12 ILE 12 -2.386 -1.136 -5.027 69 HD13 ILE 12 HD13 ILE 12 -3.810 -1.140 -6.065 70 H TYR 13 H TYR 13 1.041 -0.996 -6.148 71 HA TYR 13 HA TYR 13 3.116 -2.615 -7.348 72 HB2 TYR 13 HB2 TYR 13 3.420 -0.276 -7.599 73 HB3 TYR 13 HB3 TYR 13 3.118 0.025 -5.892 74 HD1 TYR 13 HD1 TYR 13 5.347 -2.548 -7.382 75 HD2 TYR 13 HD2 TYR 13 5.087 1.102 -5.210 76 HE1 TYR 13 HE1 TYR 13 7.764 -2.644 -6.942 77 HE2 TYR 13 HE2 TYR 13 7.504 1.015 -4.765 78 HH TYR 13 HH TYR 13 9.407 -1.787 -5.487 79 H TRP 14 H TRP 14 3.833 -4.349 -6.310 80 HA TRP 14 HA TRP 14 3.867 -4.371 -3.383 81 HB2 TRP 14 HB2 TRP 14 4.237 -6.604 -5.390 82 HB3 TRP 14 HB3 TRP 14 4.287 -6.809 -3.642 83 HD1 TRP 14 HD1 TRP 14 1.829 -6.020 -6.486 84 HE1 TRP 14 HE1 TRP 14 -0.559 -6.490 -5.651 85 HE3 TRP 14 HE3 TRP 14 2.863 -6.981 -1.572 86 HZ2 TRP 14 HZ2 TRP 14 -1.837 -7.176 -3.229 87 HZ3 TRP 14 HZ3 TRP 14 1.000 -7.535 -0.062 88 HH2 TRP 14 HH2 TRP 14 -1.300 -7.630 -0.875 89 H PHE 15 H PHE 15 5.686 -4.052 -2.291 90 HA PHE 15 HA PHE 15 8.160 -3.586 -3.602 91 HB2 PHE 15 HB2 PHE 15 7.213 -3.631 -0.777 92 HB3 PHE 15 HB3 PHE 15 8.947 -3.753 -1.062 93 HD1 PHE 15 HD1 PHE 15 9.650 -1.990 -3.083 94 HD2 PHE 15 HD2 PHE 15 6.536 -1.524 -0.219 95 HE1 PHE 15 HE1 PHE 15 9.778 0.454 -3.347 96 HE2 PHE 15 HE2 PHE 15 6.658 0.919 -0.479 97 HZ PHE 15 HZ PHE 15 8.280 1.911 -2.044 98 H TYR 16 H TYR 16 9.451 -5.096 -4.399 99 HA TYR 16 HA TYR 16 10.506 -7.085 -4.747 100 HB2 TYR 16 HB2 TYR 16 10.479 -7.062 -1.723 101 HB3 TYR 16 HB3 TYR 16 11.444 -8.161 -2.701 102 HD1 TYR 16 HD2 TYR 16 10.869 -4.535 -2.076 103 HD2 TYR 16 HD1 TYR 16 13.583 -7.537 -3.387 104 HE1 TYR 16 HE2 TYR 16 12.666 -2.859 -2.172 105 HE2 TYR 16 HE1 TYR 16 15.389 -5.871 -3.485 106 HH TYR 16 HH TYR 16 15.976 -3.766 -3.084 107 H ARG 17 H ARG 17 8.229 -7.687 -5.524 108 HA ARG 17 HA ARG 17 7.589 -10.270 -4.360 109 HB2 ARG 17 HB2 ARG 17 5.904 -7.915 -4.034 110 HB3 ARG 17 HB3 ARG 17 5.055 -9.239 -4.820 111 HG2 ARG 17 HG2 ARG 17 5.131 -10.571 -2.974 112 HG3 ARG 17 HG3 ARG 17 6.632 -9.855 -2.384 113 HD2 ARG 17 HD2 ARG 17 5.499 -7.931 -1.581 114 HD3 ARG 17 HD3 ARG 17 4.016 -8.371 -2.426 115 HE ARG 17 HE ARG 17 4.369 -10.451 -0.761 116 HH11 ARG 17 HH11 ARG 17 4.407 -7.007 -0.257 117 HH12 ARG 17 HH12 ARG 17 3.829 -7.108 1.374 118 HH21 ARG 17 HH21 ARG 17 3.608 -10.598 1.384 119 HH22 ARG 17 HH22 ARG 17 3.376 -9.151 2.306 120 HA PRO 18 HA PRO 18 7.544 -10.218 -8.973 121 HB2 PRO 18 HB2 PRO 18 8.835 -12.594 -9.225 122 HB3 PRO 18 HB3 PRO 18 9.683 -11.056 -9.027 123 HG2 PRO 18 HG2 PRO 18 9.056 -13.150 -6.983 124 HG3 PRO 18 HG3 PRO 18 10.556 -12.235 -7.223 125 HD2 PRO 18 HD2 PRO 18 8.751 -11.597 -5.307 126 HD3 PRO 18 HD3 PRO 18 9.746 -10.376 -6.127 127 H SER 19 H SER 19 6.236 -12.132 -6.502 128 HA SER 19 HA SER 19 4.491 -13.498 -8.443 129 HB2 SER 19 HB2 SER 19 5.796 -14.610 -5.965 130 HB3 SER 19 HB3 SER 19 4.341 -15.338 -6.645 131 HG SER 19 HG SER 19 6.136 -16.356 -7.517 132 H CYS 20 H CYS 20 2.536 -12.636 -8.282 133 HA CYS 20 HA CYS 20 1.565 -11.028 -6.263 134 HB2 CYS 20 HB2 CYS 20 0.060 -12.809 -8.185 135 HB3 CYS 20 HB3 CYS 20 -0.715 -11.606 -7.161 136 HA PRO 21 HA PRO 21 0.467 -13.589 -2.871 137 HB2 PRO 21 HB2 PRO 21 -1.752 -12.330 -1.947 138 HB3 PRO 21 HB3 PRO 21 -0.125 -11.666 -1.762 139 HG2 PRO 21 HG2 PRO 21 -2.228 -10.992 -3.784 140 HG3 PRO 21 HG3 PRO 21 -1.156 -9.907 -2.879 141 HD2 PRO 21 HD2 PRO 21 -0.679 -10.614 -5.448 142 HD3 PRO 21 HD3 PRO 21 0.626 -10.283 -4.291 143 H THR 22 H THR 22 -1.736 -14.477 -1.815 144 HA THR 22 HA THR 22 -3.197 -15.795 -4.009 145 HB THR 22 HB THR 22 -3.629 -17.636 -2.349 146 HG1 THR 22 HG1 THR 22 -2.170 -17.664 -0.533 147 HG21 THR 22 HG21 THR 22 -2.000 -18.175 -3.920 148 HG22 THR 22 HG22 THR 22 -1.158 -18.423 -2.391 149 HG23 THR 22 HG23 THR 22 -0.879 -16.952 -3.323 150 H ASP 23 H ASP 23 -3.449 -13.978 -1.074 151 HA ASP 23 HA ASP 23 -6.222 -14.505 -0.599 152 HB2 ASP 23 HB2 ASP 23 -4.234 -12.526 0.478 153 HB3 ASP 23 HB3 ASP 23 -5.948 -12.363 0.852 154 H ARG 24 H ARG 24 -4.458 -12.392 -2.659 155 HA ARG 24 HA ARG 24 -6.701 -10.579 -3.045 156 HB2 ARG 24 HB2 ARG 24 -4.057 -10.638 -4.505 157 HB3 ARG 24 HB3 ARG 24 -5.223 -9.322 -4.480 158 HG2 ARG 24 HG2 ARG 24 -3.866 -10.313 -1.993 159 HG3 ARG 24 HG3 ARG 24 -3.169 -9.063 -3.025 160 HD2 ARG 24 HD2 ARG 24 -5.984 -8.650 -2.282 161 HD3 ARG 24 HD3 ARG 24 -4.840 -8.585 -0.943 162 HE ARG 24 HE ARG 24 -4.011 -7.015 -3.188 163 HH11 ARG 24 HH11 ARG 24 -6.025 -7.056 -0.348 164 HH12 ARG 24 HH12 ARG 24 -6.027 -5.333 -0.165 165 HH21 ARG 24 HH21 ARG 24 -4.006 -4.746 -2.958 166 HH22 ARG 24 HH22 ARG 24 -4.879 -4.020 -1.651 167 H GLY 25 H GLY 25 -7.107 -10.008 -5.474 168 HA2 GLY 25 HA2 GLY 25 -7.449 -12.557 -6.931 169 HA3 GLY 25 HA3 GLY 25 -8.666 -11.290 -6.916 170 H TYR 26 H TYR 26 -5.183 -11.603 -7.631 171 HA TYR 26 HA TYR 26 -5.492 -9.660 -9.789 172 HB2 TYR 26 HB2 TYR 26 -2.988 -10.953 -8.687 173 HB3 TYR 26 HB3 TYR 26 -3.042 -9.643 -9.862 174 HD1 TYR 26 HD1 TYR 26 -4.824 -7.698 -8.883 175 HD2 TYR 26 HD2 TYR 26 -2.243 -10.226 -6.636 176 HE1 TYR 26 HE1 TYR 26 -4.815 -6.053 -7.055 177 HE2 TYR 26 HE2 TYR 26 -2.227 -8.588 -4.801 178 HH TYR 26 HH TYR 26 -2.632 -5.931 -4.703 179 H THR 27 H THR 27 -4.308 -10.116 -11.850 180 HA THR 27 HA THR 27 -4.390 -12.965 -12.572 181 HB THR 27 HB THR 27 -5.424 -12.427 -14.722 182 HG1 THR 27 HG1 THR 27 -5.648 -9.785 -13.669 183 HG21 THR 27 HG21 THR 27 -6.697 -12.307 -12.186 184 HG22 THR 27 HG22 THR 27 -7.372 -12.837 -13.726 185 HG23 THR 27 HG23 THR 27 -7.492 -11.144 -13.247 186 H GLY 28 H GLY 28 -3.361 -9.713 -13.587 187 HA2 GLY 28 HA2 GLY 28 -1.051 -10.974 -14.930 188 HA3 GLY 28 HA3 GLY 28 -1.773 -9.452 -15.434 189 H SER 29 H SER 29 1.000 -10.211 -14.578 190 HA SER 29 HA SER 29 1.306 -8.096 -12.555 191 HB2 SER 29 HB2 SER 29 2.947 -9.345 -11.359 192 HB3 SER 29 HB3 SER 29 1.587 -10.439 -11.607 193 HG SER 29 HG SER 29 4.030 -10.939 -12.216 194 H CYS 30 H CYS 30 2.809 -6.601 -13.005 195 HA CYS 30 HA CYS 30 4.576 -7.098 -15.311 196 HB2 CYS 30 HB2 CYS 30 3.596 -4.396 -14.384 197 HB3 CYS 30 HB3 CYS 30 4.421 -4.781 -15.891 198 H ARG 31 H ARG 31 6.668 -7.175 -14.857 199 HA ARG 31 HA ARG 31 7.787 -6.869 -12.353 200 HB2 ARG 31 HB2 ARG 31 8.928 -6.814 -15.124 201 HB3 ARG 31 HB3 ARG 31 9.967 -6.468 -13.748 202 HG2 ARG 31 HG2 ARG 31 10.196 -8.774 -14.263 203 HG3 ARG 31 HG3 ARG 31 9.264 -8.655 -12.768 204 HD2 ARG 31 HD2 ARG 31 7.266 -9.227 -13.826 205 HD3 ARG 31 HD3 ARG 31 7.896 -8.839 -15.427 206 HE ARG 31 HE ARG 31 8.149 -11.328 -14.025 207 HH11 ARG 31 HH11 ARG 31 9.583 -9.258 -16.429 208 HH12 ARG 31 HH12 ARG 31 10.399 -10.550 -17.243 209 HH21 ARG 31 HH21 ARG 31 9.220 -13.038 -15.088 210 HH22 ARG 31 HH22 ARG 31 10.192 -12.700 -16.481 211 H TYR 32 H TYR 32 8.436 -5.202 -11.141 212 HA TYR 32 HA TYR 32 8.248 -2.513 -12.307 213 HB2 TYR 32 HB2 TYR 32 6.948 -3.364 -10.164 214 HB3 TYR 32 HB3 TYR 32 8.463 -2.963 -9.362 215 HD1 TYR 32 HD2 TYR 32 5.896 -1.505 -11.639 216 HD2 TYR 32 HD1 TYR 32 8.852 -0.778 -8.666 217 HE1 TYR 32 HE2 TYR 32 5.212 0.855 -11.545 218 HE2 TYR 32 HE1 TYR 32 8.174 1.584 -8.564 219 HH TYR 32 HH TYR 32 5.679 2.877 -10.724 220 H PHE 33 H PHE 33 9.745 -0.886 -11.147 221 HA PHE 33 HA PHE 33 12.380 -1.440 -11.825 222 HB2 PHE 33 HB2 PHE 33 11.198 0.826 -11.348 223 HB3 PHE 33 HB3 PHE 33 11.709 0.557 -9.684 224 HD1 PHE 33 HD2 PHE 33 12.859 1.146 -13.123 225 HD2 PHE 33 HD1 PHE 33 13.991 0.788 -9.035 226 HE1 PHE 33 HE2 PHE 33 15.073 2.079 -13.658 227 HE2 PHE 33 HE1 PHE 33 16.206 1.720 -9.564 228 HZ PHE 33 HZ PHE 33 16.749 2.366 -11.877 229 H LEU 34 H LEU 34 10.945 -1.307 -8.565 230 HA LEU 34 HA LEU 34 13.287 -2.755 -7.542 231 HB2 LEU 34 HB2 LEU 34 11.303 -0.894 -6.338 232 HB3 LEU 34 HB3 LEU 34 12.044 -2.112 -5.303 233 HG LEU 34 HG LEU 34 13.840 -0.402 -6.943 234 HD11 LEU 34 HD11 LEU 34 13.776 1.410 -5.393 235 HD12 LEU 34 HD12 LEU 34 12.615 0.568 -4.368 236 HD13 LEU 34 HD13 LEU 34 12.131 1.132 -5.968 237 HD21 LEU 34 HD21 LEU 34 14.023 -1.365 -4.093 238 HD22 LEU 34 HD22 LEU 34 15.317 -0.693 -5.085 239 HD23 LEU 34 HD23 LEU 34 14.627 -2.268 -5.483 240 H GLY 35 H GLY 35 9.735 -2.764 -7.446 241 HA2 GLY 35 HA2 GLY 35 9.868 -5.595 -6.606 242 HA3 GLY 35 HA3 GLY 35 8.563 -4.505 -6.161 243 H THR 36 H THR 36 6.775 -5.182 -7.139 244 HA THR 36 HA THR 36 6.792 -5.444 -10.046 245 HB THR 36 HB THR 36 5.395 -7.563 -8.434 246 HG1 THR 36 HG1 THR 36 7.488 -7.945 -7.882 247 HG21 THR 36 HG21 THR 36 4.598 -7.681 -10.590 248 HG22 THR 36 HG22 THR 36 5.988 -8.761 -10.704 249 HG23 THR 36 HG23 THR 36 6.107 -7.103 -11.294 250 H CYS 37 H CYS 37 4.600 -5.470 -10.964 251 HA CYS 37 HA CYS 37 2.698 -4.043 -9.221 252 HB2 CYS 37 HB2 CYS 37 3.671 -2.695 -11.092 253 HB3 CYS 37 HB3 CYS 37 2.937 -3.822 -12.228 254 H CYS 38 H CYS 38 1.132 -5.386 -8.619 255 HA CYS 38 HA CYS 38 0.248 -7.503 -10.426 256 HB2 CYS 38 HB2 CYS 38 -0.160 -6.953 -7.497 257 HB3 CYS 38 HB3 CYS 38 -1.163 -8.124 -8.348 258 H THR 39 H THR 39 -1.545 -7.355 -11.597 259 HA THR 39 HA THR 39 -3.541 -5.316 -10.853 260 HB THR 39 HB THR 39 -4.041 -5.474 -13.448 261 HG1 THR 39 HG1 THR 39 -1.319 -6.263 -13.190 262 HG21 THR 39 HG21 THR 39 -2.744 -3.486 -13.781 263 HG22 THR 39 HG22 THR 39 -1.667 -3.903 -12.449 264 HG23 THR 39 HG23 THR 39 -3.343 -3.466 -12.124 265 HA PRO 40 HA PRO 40 -5.447 -4.728 -12.283 266 HB2 PRO 40 HB2 PRO 40 -7.903 -4.530 -11.142 267 HB3 PRO 40 HB3 PRO 40 -7.654 -5.128 -12.787 268 HG2 PRO 40 HG2 PRO 40 -8.088 -6.669 -10.257 269 HG3 PRO 40 HG3 PRO 40 -8.785 -6.939 -11.866 270 HD2 PRO 40 HD2 PRO 40 -6.700 -8.384 -10.921 271 HD3 PRO 40 HD3 PRO 40 -6.895 -8.006 -12.644 272 H ALA 41 H ALA 41 -6.158 -2.894 -10.772 273 HA ALA 41 HA ALA 41 -4.605 -3.092 -8.364 274 HB1 ALA 41 HB1 ALA 41 -5.716 -0.980 -9.999 275 HB2 ALA 41 HB2 ALA 41 -5.955 -0.671 -8.278 276 HB3 ALA 41 HB3 ALA 41 -4.332 -0.951 -8.907 277 H ASP 42 H ASP 42 -5.435 -4.152 -6.677 278 HA ASP 42 HA ASP 42 -8.284 -3.821 -6.048 279 HB2 ASP 42 HB2 ASP 42 -7.132 -6.133 -6.300 280 HB3 ASP 42 HB3 ASP 42 -6.461 -5.798 -4.707 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.413 1.519 0.286 2 HA2 GLY 1 HA2 GLY 1 2.944 -0.097 -1.487 3 HA3 GLY 1 HA3 GLY 1 1.229 -0.445 -1.656 4 H THR 2 H THR 2 3.042 0.712 -3.609 5 HA THR 2 HA THR 2 1.979 3.440 -3.859 6 HB THR 2 HB THR 2 4.079 2.357 -5.696 7 HG1 THR 2 HG1 THR 2 4.388 3.033 -2.968 8 HG21 THR 2 HG21 THR 2 4.840 4.834 -5.197 9 HG22 THR 2 HG22 THR 2 3.154 5.013 -4.710 10 HG23 THR 2 HG23 THR 2 3.548 4.494 -6.348 11 H ALA 3 H ALA 3 1.435 4.148 -6.100 12 HA ALA 3 HA ALA 3 -0.271 2.142 -7.343 13 HB1 ALA 3 HB1 ALA 3 -1.204 4.036 -8.603 14 HB2 ALA 3 HB2 ALA 3 -1.259 4.298 -6.859 15 HB3 ALA 3 HB3 ALA 3 -0.032 5.106 -7.835 16 H CYS 4 H CYS 4 0.173 1.142 -9.200 17 HA CYS 4 HA CYS 4 2.311 2.237 -10.905 18 HB2 CYS 4 HB2 CYS 4 2.866 -0.189 -11.434 19 HB3 CYS 4 HB3 CYS 4 3.317 0.380 -9.830 20 H SER 5 H SER 5 2.254 1.231 -13.145 21 HA SER 5 HA SER 5 -0.490 0.630 -13.999 22 HB2 SER 5 HB2 SER 5 0.902 2.248 -15.965 23 HB3 SER 5 HB3 SER 5 -0.689 2.489 -15.243 24 HG SER 5 HG SER 5 0.689 4.205 -14.712 25 H CYS 6 H CYS 6 -0.676 -0.778 -15.697 26 HA CYS 6 HA CYS 6 1.828 -2.042 -16.575 27 HB2 CYS 6 HB2 CYS 6 -0.934 -3.049 -16.081 28 HB3 CYS 6 HB3 CYS 6 0.014 -3.837 -17.338 29 H GLY 7 H GLY 7 0.466 0.403 -17.698 30 HA2 GLY 7 HA2 GLY 7 1.037 0.825 -20.103 31 HA3 GLY 7 HA3 GLY 7 0.072 -0.604 -20.449 32 H ASN 8 H ASN 8 -2.233 -0.467 -19.518 33 HA ASN 8 HA ASN 8 -3.274 2.270 -19.765 34 HB2 ASN 8 HB2 ASN 8 -5.189 1.332 -21.096 35 HB3 ASN 8 HB3 ASN 8 -3.638 1.295 -21.930 36 HD21 ASN 8 HD21 ASN 8 -6.015 -0.622 -20.224 37 HD22 ASN 8 HD22 ASN 8 -5.531 -2.148 -20.874 38 H SER 9 H SER 9 -2.797 0.426 -17.489 39 HA SER 9 HA SER 9 -5.427 0.694 -16.284 40 HB2 SER 9 HB2 SER 9 -5.281 -1.626 -17.313 41 HB3 SER 9 HB3 SER 9 -4.007 -1.969 -16.143 42 HG SER 9 HG SER 9 -6.004 -2.633 -15.328 43 H LYS 10 H LYS 10 -5.355 0.263 -13.918 44 HA LYS 10 HA LYS 10 -2.751 1.100 -12.841 45 HB2 LYS 10 HB2 LYS 10 -5.526 1.397 -11.678 46 HB3 LYS 10 HB3 LYS 10 -4.043 1.926 -10.894 47 HG2 LYS 10 HG2 LYS 10 -3.673 3.608 -12.500 48 HG3 LYS 10 HG3 LYS 10 -4.882 2.933 -13.596 49 HD2 LYS 10 HD2 LYS 10 -6.505 3.375 -11.587 50 HD3 LYS 10 HD3 LYS 10 -5.255 4.519 -11.093 51 HE2 LYS 10 HE2 LYS 10 -5.403 5.583 -13.318 52 HE3 LYS 10 HE3 LYS 10 -6.711 4.477 -13.735 53 HZ1 LYS 10 HZ1 LYS 10 -7.828 6.347 -13.028 54 HZ2 LYS 10 HZ2 LYS 10 -6.715 6.700 -11.805 55 HZ3 LYS 10 HZ3 LYS 10 -7.800 5.417 -11.615 56 H GLY 11 H GLY 11 -1.850 0.071 -11.060 57 HA2 GLY 11 HA2 GLY 11 -3.230 -2.299 -10.018 58 HA3 GLY 11 HA3 GLY 11 -1.649 -2.515 -10.756 59 H ILE 12 H ILE 12 -1.498 -3.411 -8.412 60 HA ILE 12 HA ILE 12 -0.728 -1.247 -6.576 61 HB ILE 12 HB ILE 12 -1.301 -4.150 -5.971 62 HG12 ILE 12 HG12 ILE 12 -3.309 -2.842 -6.555 63 HG13 ILE 12 HG13 ILE 12 -3.310 -3.307 -4.858 64 HG21 ILE 12 HG21 ILE 12 0.105 -3.673 -4.258 65 HG22 ILE 12 HG22 ILE 12 -0.171 -1.935 -4.370 66 HG23 ILE 12 HG23 ILE 12 -1.360 -2.967 -3.578 67 HD11 ILE 12 HD11 ILE 12 -2.057 -0.766 -5.110 68 HD12 ILE 12 HD12 ILE 12 -3.598 -0.739 -5.966 69 HD13 ILE 12 HD13 ILE 12 -3.544 -1.195 -4.264 70 H TYR 13 H TYR 13 1.352 -0.903 -6.162 71 HA TYR 13 HA TYR 13 3.347 -2.660 -7.307 72 HB2 TYR 13 HB2 TYR 13 3.798 -0.360 -7.625 73 HB3 TYR 13 HB3 TYR 13 3.467 0.023 -5.940 74 HD1 TYR 13 HD2 TYR 13 5.604 -2.697 -7.308 75 HD2 TYR 13 HD1 TYR 13 5.462 1.000 -5.207 76 HE1 TYR 13 HE2 TYR 13 8.001 -2.903 -6.795 77 HE2 TYR 13 HE1 TYR 13 7.858 0.805 -4.688 78 HH TYR 13 HH TYR 13 9.699 -2.080 -5.568 79 H TRP 14 H TRP 14 4.216 -4.296 -6.240 80 HA TRP 14 HA TRP 14 4.164 -4.255 -3.299 81 HB2 TRP 14 HB2 TRP 14 4.379 -6.598 -5.203 82 HB3 TRP 14 HB3 TRP 14 4.390 -6.717 -3.446 83 HD1 TRP 14 HD1 TRP 14 2.031 -5.862 -6.361 84 HE1 TRP 14 HE1 TRP 14 -0.395 -6.139 -5.547 85 HE3 TRP 14 HE3 TRP 14 2.932 -6.743 -1.406 86 HZ2 TRP 14 HZ2 TRP 14 -1.749 -6.662 -3.126 87 HZ3 TRP 14 HZ3 TRP 14 1.017 -7.122 0.092 88 HH2 TRP 14 HH2 TRP 14 -1.274 -7.081 -0.752 89 H PHE 15 H PHE 15 6.021 -3.904 -2.293 90 HA PHE 15 HA PHE 15 8.494 -3.703 -3.646 91 HB2 PHE 15 HB2 PHE 15 7.677 -3.661 -0.757 92 HB3 PHE 15 HB3 PHE 15 9.382 -3.686 -1.195 93 HD1 PHE 15 HD2 PHE 15 10.179 -1.865 -2.839 94 HD2 PHE 15 HD1 PHE 15 6.536 -1.655 -0.649 95 HE1 PHE 15 HE2 PHE 15 10.131 0.574 -3.159 96 HE2 PHE 15 HE1 PHE 15 6.482 0.785 -0.967 97 HZ PHE 15 HZ PHE 15 8.282 1.902 -2.222 98 H TYR 16 H TYR 16 9.699 -5.319 -4.365 99 HA TYR 16 HA TYR 16 10.617 -7.387 -4.628 100 HB2 TYR 16 HB2 TYR 16 10.639 -7.180 -1.612 101 HB3 TYR 16 HB3 TYR 16 11.489 -8.427 -2.519 102 HD1 TYR 16 HD1 TYR 16 11.235 -4.725 -2.176 103 HD2 TYR 16 HD2 TYR 16 13.666 -8.047 -3.252 104 HE1 TYR 16 HE1 TYR 16 13.169 -3.224 -2.415 105 HE2 TYR 16 HE2 TYR 16 15.607 -6.557 -3.492 106 HH TYR 16 HH TYR 16 16.104 -4.227 -3.869 107 H ARG 17 H ARG 17 8.303 -7.892 -5.356 108 HA ARG 17 HA ARG 17 7.518 -10.365 -4.051 109 HB2 ARG 17 HB2 ARG 17 5.964 -7.892 -3.879 110 HB3 ARG 17 HB3 ARG 17 5.042 -9.242 -4.525 111 HG2 ARG 17 HG2 ARG 17 5.080 -10.391 -2.568 112 HG3 ARG 17 HG3 ARG 17 6.648 -9.738 -2.087 113 HD2 ARG 17 HD2 ARG 17 5.543 -7.549 -1.678 114 HD3 ARG 17 HD3 ARG 17 3.992 -8.315 -2.019 115 HE ARG 17 HE ARG 17 4.992 -9.876 -0.072 116 HH11 ARG 17 HH11 ARG 17 4.641 -6.424 -0.367 117 HH12 ARG 17 HH12 ARG 17 4.449 -6.167 1.336 118 HH21 ARG 17 HH21 ARG 17 4.740 -9.550 2.172 119 HH22 ARG 17 HH22 ARG 17 4.507 -7.946 2.779 120 HA PRO 18 HA PRO 18 7.429 -10.545 -8.662 121 HB2 PRO 18 HB2 PRO 18 8.587 -12.995 -8.804 122 HB3 PRO 18 HB3 PRO 18 9.519 -11.497 -8.693 123 HG2 PRO 18 HG2 PRO 18 8.806 -13.448 -6.537 124 HG3 PRO 18 HG3 PRO 18 10.348 -12.629 -6.838 125 HD2 PRO 18 HD2 PRO 18 8.604 -11.798 -4.941 126 HD3 PRO 18 HD3 PRO 18 9.652 -10.675 -5.832 127 H SER 19 H SER 19 6.060 -12.270 -6.082 128 HA SER 19 HA SER 19 4.247 -13.672 -7.936 129 HB2 SER 19 HB2 SER 19 4.623 -15.628 -6.903 130 HB3 SER 19 HB3 SER 19 5.942 -14.847 -6.033 131 HG SER 19 HG SER 19 3.246 -15.142 -5.216 132 H CYS 20 H CYS 20 2.238 -12.951 -7.827 133 HA CYS 20 HA CYS 20 1.379 -11.114 -5.836 134 HB2 CYS 20 HB2 CYS 20 -0.202 -12.613 -7.935 135 HB3 CYS 20 HB3 CYS 20 -0.827 -11.287 -6.962 136 HA PRO 21 HA PRO 21 -0.285 -13.723 -2.725 137 HB2 PRO 21 HB2 PRO 21 -2.404 -12.252 -1.879 138 HB3 PRO 21 HB3 PRO 21 -0.727 -11.813 -1.528 139 HG2 PRO 21 HG2 PRO 21 -2.557 -10.753 -3.646 140 HG3 PRO 21 HG3 PRO 21 -1.441 -9.871 -2.589 141 HD2 PRO 21 HD2 PRO 21 -0.843 -10.475 -5.160 142 HD3 PRO 21 HD3 PRO 21 0.393 -10.383 -3.888 143 H THR 22 H THR 22 -1.931 -15.202 -2.274 144 HA THR 22 HA THR 22 -3.651 -15.816 -4.533 145 HB THR 22 HB THR 22 -4.199 -17.883 -3.232 146 HG1 THR 22 HG1 THR 22 -3.773 -17.720 -1.161 147 HG21 THR 22 HG21 THR 22 -1.467 -17.120 -4.106 148 HG22 THR 22 HG22 THR 22 -2.538 -18.385 -4.710 149 HG23 THR 22 HG23 THR 22 -1.640 -18.631 -3.213 150 H ASP 23 H ASP 23 -3.887 -14.448 -1.370 151 HA ASP 23 HA ASP 23 -6.631 -14.954 -0.887 152 HB2 ASP 23 HB2 ASP 23 -4.677 -12.931 0.182 153 HB3 ASP 23 HB3 ASP 23 -6.371 -12.907 0.660 154 H ARG 24 H ARG 24 -4.949 -12.644 -2.839 155 HA ARG 24 HA ARG 24 -7.290 -10.941 -3.134 156 HB2 ARG 24 HB2 ARG 24 -4.576 -10.774 -4.457 157 HB3 ARG 24 HB3 ARG 24 -5.844 -9.560 -4.557 158 HG2 ARG 24 HG2 ARG 24 -4.899 -10.356 -1.860 159 HG3 ARG 24 HG3 ARG 24 -3.838 -9.356 -2.854 160 HD2 ARG 24 HD2 ARG 24 -5.093 -7.812 -1.633 161 HD3 ARG 24 HD3 ARG 24 -5.889 -7.864 -3.205 162 HE ARG 24 HE ARG 24 -7.752 -8.726 -2.193 163 HH11 ARG 24 HH11 ARG 24 -5.043 -9.006 -0.025 164 HH12 ARG 24 HH12 ARG 24 -6.006 -9.524 1.319 165 HH21 ARG 24 HH21 ARG 24 -9.030 -9.407 -0.431 166 HH22 ARG 24 HH22 ARG 24 -8.273 -9.753 1.087 167 H GLY 25 H GLY 25 -7.461 -10.185 -5.636 168 HA2 GLY 25 HA2 GLY 25 -7.774 -12.673 -7.201 169 HA3 GLY 25 HA3 GLY 25 -8.998 -11.412 -7.183 170 H TYR 26 H TYR 26 -5.504 -11.756 -7.809 171 HA TYR 26 HA TYR 26 -5.698 -9.667 -9.843 172 HB2 TYR 26 HB2 TYR 26 -3.271 -11.093 -8.732 173 HB3 TYR 26 HB3 TYR 26 -3.239 -9.739 -9.857 174 HD1 TYR 26 HD1 TYR 26 -4.873 -7.714 -8.912 175 HD2 TYR 26 HD2 TYR 26 -2.689 -10.526 -6.583 176 HE1 TYR 26 HE1 TYR 26 -4.872 -6.139 -7.022 177 HE2 TYR 26 HE2 TYR 26 -2.683 -8.960 -4.687 178 HH TYR 26 HH TYR 26 -4.273 -6.952 -3.952 179 H THR 27 H THR 27 -5.112 -9.973 -11.989 180 HA THR 27 HA THR 27 -5.124 -12.781 -12.874 181 HB THR 27 HB THR 27 -5.958 -11.955 -15.037 182 HG1 THR 27 HG1 THR 27 -5.958 -9.881 -15.467 183 HG21 THR 27 HG21 THR 27 -7.550 -12.616 -13.271 184 HG22 THR 27 HG22 THR 27 -8.203 -11.358 -14.319 185 HG23 THR 27 HG23 THR 27 -7.601 -10.944 -12.715 186 H GLY 28 H GLY 28 -3.764 -9.595 -13.725 187 HA2 GLY 28 HA2 GLY 28 -1.433 -11.026 -14.847 188 HA3 GLY 28 HA3 GLY 28 -2.067 -9.540 -15.537 189 H SER 29 H SER 29 0.622 -10.023 -14.646 190 HA SER 29 HA SER 29 0.836 -7.801 -12.765 191 HB2 SER 29 HB2 SER 29 2.231 -8.926 -11.221 192 HB3 SER 29 HB3 SER 29 0.902 -10.046 -11.522 193 HG SER 29 HG SER 29 3.536 -10.383 -11.954 194 H CYS 30 H CYS 30 2.573 -6.507 -13.122 195 HA CYS 30 HA CYS 30 4.454 -7.360 -15.224 196 HB2 CYS 30 HB2 CYS 30 3.645 -4.507 -14.660 197 HB3 CYS 30 HB3 CYS 30 4.534 -5.121 -16.051 198 H ARG 31 H ARG 31 6.536 -7.403 -14.687 199 HA ARG 31 HA ARG 31 7.497 -7.060 -12.127 200 HB2 ARG 31 HB2 ARG 31 9.685 -7.270 -13.024 201 HB3 ARG 31 HB3 ARG 31 8.636 -8.222 -14.065 202 HG2 ARG 31 HG2 ARG 31 9.479 -7.127 -15.793 203 HG3 ARG 31 HG3 ARG 31 8.676 -5.673 -15.199 204 HD2 ARG 31 HD2 ARG 31 10.588 -4.801 -14.348 205 HD3 ARG 31 HD3 ARG 31 11.245 -6.381 -13.922 206 HE ARG 31 HE ARG 31 11.772 -4.913 -16.287 207 HH11 ARG 31 HH11 ARG 31 11.281 -8.154 -15.111 208 HH12 ARG 31 HH12 ARG 31 12.235 -8.889 -16.356 209 HH21 ARG 31 HH21 ARG 31 13.029 -5.871 -17.932 210 HH22 ARG 31 HH22 ARG 31 13.229 -7.591 -17.960 211 H TYR 32 H TYR 32 8.650 -5.448 -11.057 212 HA TYR 32 HA TYR 32 8.327 -2.746 -12.189 213 HB2 TYR 32 HB2 TYR 32 7.071 -3.548 -10.003 214 HB3 TYR 32 HB3 TYR 32 8.617 -3.179 -9.247 215 HD1 TYR 32 HD2 TYR 32 6.025 -1.672 -11.462 216 HD2 TYR 32 HD1 TYR 32 9.079 -1.001 -8.577 217 HE1 TYR 32 HE2 TYR 32 5.403 0.706 -11.366 218 HE2 TYR 32 HE1 TYR 32 8.465 1.378 -8.471 219 HH TYR 32 HH TYR 32 7.337 3.056 -9.960 220 H PHE 33 H PHE 33 9.892 -1.143 -11.084 221 HA PHE 33 HA PHE 33 12.492 -1.756 -11.840 222 HB2 PHE 33 HB2 PHE 33 11.370 0.538 -11.333 223 HB3 PHE 33 HB3 PHE 33 11.936 0.264 -9.688 224 HD1 PHE 33 HD1 PHE 33 13.222 0.174 -13.189 225 HD2 PHE 33 HD2 PHE 33 13.995 1.090 -9.104 226 HE1 PHE 33 HE1 PHE 33 15.433 1.057 -13.808 227 HE2 PHE 33 HE2 PHE 33 16.207 1.976 -9.717 228 HZ PHE 33 HZ PHE 33 16.928 1.961 -12.073 229 H LEU 34 H LEU 34 11.099 -1.678 -8.566 230 HA LEU 34 HA LEU 34 13.462 -3.134 -7.595 231 HB2 LEU 34 HB2 LEU 34 11.542 -1.243 -6.332 232 HB3 LEU 34 HB3 LEU 34 12.299 -2.472 -5.322 233 HG LEU 34 HG LEU 34 14.056 -0.771 -7.018 234 HD11 LEU 34 HD11 LEU 34 12.263 0.641 -5.775 235 HD12 LEU 34 HD12 LEU 34 13.962 1.099 -5.672 236 HD13 LEU 34 HD13 LEU 34 13.200 0.233 -4.339 237 HD21 LEU 34 HD21 LEU 34 15.669 -1.325 -5.498 238 HD22 LEU 34 HD22 LEU 34 14.632 -2.746 -5.370 239 HD23 LEU 34 HD23 LEU 34 14.524 -1.463 -4.164 240 H GLY 35 H GLY 35 9.915 -3.085 -7.444 241 HA2 GLY 35 HA2 GLY 35 10.015 -5.913 -6.591 242 HA3 GLY 35 HA3 GLY 35 8.737 -4.800 -6.126 243 H THR 36 H THR 36 6.929 -5.508 -7.054 244 HA THR 36 HA THR 36 6.873 -5.735 -9.963 245 HB THR 36 HB THR 36 5.586 -7.888 -8.292 246 HG1 THR 36 HG1 THR 36 7.540 -8.651 -8.034 247 HG21 THR 36 HG21 THR 36 6.164 -8.907 -10.768 248 HG22 THR 36 HG22 THR 36 5.772 -7.229 -11.139 249 HG23 THR 36 HG23 THR 36 4.606 -8.238 -10.283 250 H CYS 37 H CYS 37 4.727 -5.612 -10.860 251 HA CYS 37 HA CYS 37 2.847 -4.251 -9.048 252 HB2 CYS 37 HB2 CYS 37 3.724 -2.868 -10.903 253 HB3 CYS 37 HB3 CYS 37 3.071 -4.028 -12.057 254 H CYS 38 H CYS 38 1.057 -5.309 -8.543 255 HA CYS 38 HA CYS 38 0.205 -7.546 -10.243 256 HB2 CYS 38 HB2 CYS 38 -0.308 -6.892 -7.342 257 HB3 CYS 38 HB3 CYS 38 -1.182 -8.159 -8.198 258 H THR 39 H THR 39 -1.565 -7.371 -11.442 259 HA THR 39 HA THR 39 -3.536 -5.293 -10.742 260 HB THR 39 HB THR 39 -3.984 -5.451 -13.352 261 HG1 THR 39 HG1 THR 39 -1.275 -6.254 -13.024 262 HG21 THR 39 HG21 THR 39 -1.658 -3.884 -12.231 263 HG22 THR 39 HG22 THR 39 -3.353 -3.429 -12.060 264 HG23 THR 39 HG23 THR 39 -2.611 -3.483 -13.659 265 HA PRO 40 HA PRO 40 -5.405 -4.676 -12.215 266 HB2 PRO 40 HB2 PRO 40 -7.881 -4.445 -11.127 267 HB3 PRO 40 HB3 PRO 40 -7.605 -5.045 -12.766 268 HG2 PRO 40 HG2 PRO 40 -8.115 -6.581 -10.246 269 HG3 PRO 40 HG3 PRO 40 -8.781 -6.840 -11.869 270 HD2 PRO 40 HD2 PRO 40 -6.737 -8.316 -10.880 271 HD3 PRO 40 HD3 PRO 40 -6.891 -7.934 -12.608 272 H ALA 41 H ALA 41 -6.090 -2.827 -10.728 273 HA ALA 41 HA ALA 41 -4.580 -3.021 -8.306 274 HB1 ALA 41 HB1 ALA 41 -4.339 -0.890 -8.939 275 HB2 ALA 41 HB2 ALA 41 -5.830 -0.903 -9.882 276 HB3 ALA 41 HB3 ALA 41 -5.890 -0.625 -8.141 277 H ASP 42 H ASP 42 -5.375 -4.062 -6.595 278 HA ASP 42 HA ASP 42 -8.008 -4.686 -6.058 279 HB2 ASP 42 HB2 ASP 42 -7.298 -5.421 -3.962 280 HB3 ASP 42 HB3 ASP 42 -5.818 -5.489 -4.916 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -0.044 0.344 -0.250 2 HA2 GLY 1 HA2 GLY 1 2.617 -0.041 -0.859 3 HA3 GLY 1 HA3 GLY 1 1.734 -1.028 -2.014 4 H THR 2 H THR 2 3.024 0.614 -3.376 5 HA THR 2 HA THR 2 1.704 3.201 -3.601 6 HB THR 2 HB THR 2 3.813 2.348 -5.531 7 HG1 THR 2 HG1 THR 2 5.304 3.177 -3.757 8 HG21 THR 2 HG21 THR 2 3.136 4.533 -5.911 9 HG22 THR 2 HG22 THR 2 4.541 4.761 -4.870 10 HG23 THR 2 HG23 THR 2 2.916 4.872 -4.194 11 H ALA 3 H ALA 3 1.198 3.980 -5.860 12 HA ALA 3 HA ALA 3 -0.444 1.956 -7.175 13 HB1 ALA 3 HB1 ALA 3 -1.518 4.055 -6.574 14 HB2 ALA 3 HB2 ALA 3 -0.353 4.947 -7.554 15 HB3 ALA 3 HB3 ALA 3 -1.494 3.846 -8.325 16 H CYS 4 H CYS 4 0.158 0.991 -8.995 17 HA CYS 4 HA CYS 4 2.203 2.297 -10.668 18 HB2 CYS 4 HB2 CYS 4 2.862 -0.081 -11.305 19 HB3 CYS 4 HB3 CYS 4 3.294 0.443 -9.680 20 H SER 5 H SER 5 2.214 1.331 -12.949 21 HA SER 5 HA SER 5 -0.509 0.698 -13.849 22 HB2 SER 5 HB2 SER 5 0.556 2.291 -15.877 23 HB3 SER 5 HB3 SER 5 -0.705 2.754 -14.734 24 HG SER 5 HG SER 5 0.975 4.247 -14.648 25 H CYS 6 H CYS 6 -0.649 -0.660 -15.593 26 HA CYS 6 HA CYS 6 1.872 -1.910 -16.422 27 HB2 CYS 6 HB2 CYS 6 -0.943 -2.862 -16.161 28 HB3 CYS 6 HB3 CYS 6 0.074 -3.618 -17.385 29 H GLY 7 H GLY 7 -0.630 0.113 -17.548 30 HA2 GLY 7 HA2 GLY 7 0.525 0.813 -19.930 31 HA3 GLY 7 HA3 GLY 7 -0.468 -0.581 -20.326 32 H ASN 8 H ASN 8 -2.771 -0.393 -19.288 33 HA ASN 8 HA ASN 8 -3.742 2.364 -19.596 34 HB2 ASN 8 HB2 ASN 8 -5.210 -0.026 -20.710 35 HB3 ASN 8 HB3 ASN 8 -5.547 1.679 -20.993 36 HD21 ASN 8 HD21 ASN 8 -3.585 -1.033 -21.834 37 HD22 ASN 8 HD22 ASN 8 -2.791 -0.308 -23.187 38 H SER 9 H SER 9 -3.235 0.493 -17.294 39 HA SER 9 HA SER 9 -5.768 0.975 -15.954 40 HB2 SER 9 HB2 SER 9 -5.761 -1.388 -16.996 41 HB3 SER 9 HB3 SER 9 -4.577 -1.784 -15.751 42 HG SER 9 HG SER 9 -7.164 -1.803 -15.492 43 H LYS 10 H LYS 10 -5.571 0.344 -13.570 44 HA LYS 10 HA LYS 10 -2.902 1.157 -12.643 45 HB2 LYS 10 HB2 LYS 10 -5.583 1.343 -11.257 46 HB3 LYS 10 HB3 LYS 10 -4.051 1.863 -10.568 47 HG2 LYS 10 HG2 LYS 10 -3.845 3.641 -12.081 48 HG3 LYS 10 HG3 LYS 10 -5.089 2.986 -13.149 49 HD2 LYS 10 HD2 LYS 10 -6.604 3.264 -11.019 50 HD3 LYS 10 HD3 LYS 10 -5.373 4.441 -10.560 51 HE2 LYS 10 HE2 LYS 10 -5.739 5.310 -13.006 52 HE3 LYS 10 HE3 LYS 10 -7.286 4.482 -12.849 53 HZ1 LYS 10 HZ1 LYS 10 -6.622 6.135 -10.590 54 HZ2 LYS 10 HZ2 LYS 10 -8.060 6.039 -11.474 55 HZ3 LYS 10 HZ3 LYS 10 -6.787 7.004 -12.033 56 H GLY 11 H GLY 11 -1.925 0.104 -10.877 57 HA2 GLY 11 HA2 GLY 11 -3.169 -2.387 -9.958 58 HA3 GLY 11 HA3 GLY 11 -1.600 -2.489 -10.745 59 H ILE 12 H ILE 12 -1.594 -3.501 -8.340 60 HA ILE 12 HA ILE 12 -0.785 -1.421 -6.442 61 HB ILE 12 HB ILE 12 -1.242 -4.374 -5.998 62 HG12 ILE 12 HG12 ILE 12 -3.314 -3.166 -6.465 63 HG13 ILE 12 HG13 ILE 12 -3.248 -3.632 -4.769 64 HG21 ILE 12 HG21 ILE 12 -0.463 -2.152 -4.131 65 HG22 ILE 12 HG22 ILE 12 -1.196 -3.652 -3.567 66 HG23 ILE 12 HG23 ILE 12 0.354 -3.691 -4.406 67 HD11 ILE 12 HD11 ILE 12 -3.622 -1.532 -4.205 68 HD12 ILE 12 HD12 ILE 12 -2.108 -1.061 -4.977 69 HD13 ILE 12 HD13 ILE 12 -3.609 -1.054 -5.902 70 H TYR 13 H TYR 13 1.286 -0.999 -6.078 71 HA TYR 13 HA TYR 13 3.324 -2.669 -7.293 72 HB2 TYR 13 HB2 TYR 13 3.673 -0.354 -7.632 73 HB3 TYR 13 HB3 TYR 13 3.369 0.023 -5.939 74 HD1 TYR 13 HD2 TYR 13 5.576 -2.622 -7.337 75 HD2 TYR 13 HD1 TYR 13 5.344 1.092 -5.275 76 HE1 TYR 13 HE2 TYR 13 7.991 -2.730 -6.885 77 HE2 TYR 13 HE1 TYR 13 7.759 0.995 -4.818 78 HH TYR 13 HH TYR 13 9.658 -0.104 -5.173 79 H TRP 14 H TRP 14 4.237 -4.287 -6.234 80 HA TRP 14 HA TRP 14 4.285 -4.212 -3.294 81 HB2 TRP 14 HB2 TRP 14 4.536 -6.586 -5.155 82 HB3 TRP 14 HB3 TRP 14 4.521 -6.655 -3.395 83 HD1 TRP 14 HD1 TRP 14 2.193 -5.942 -6.371 84 HE1 TRP 14 HE1 TRP 14 -0.240 -6.243 -5.587 85 HE3 TRP 14 HE3 TRP 14 3.029 -6.641 -1.376 86 HZ2 TRP 14 HZ2 TRP 14 -1.622 -6.712 -3.172 87 HZ3 TRP 14 HZ3 TRP 14 1.097 -7.008 0.103 88 HH2 TRP 14 HH2 TRP 14 -1.179 -7.042 -0.779 89 H PHE 15 H PHE 15 6.165 -3.863 -2.328 90 HA PHE 15 HA PHE 15 8.592 -3.624 -3.782 91 HB2 PHE 15 HB2 PHE 15 7.942 -3.582 -0.839 92 HB3 PHE 15 HB3 PHE 15 9.590 -3.418 -1.434 93 HD1 PHE 15 HD2 PHE 15 10.212 -1.467 -2.820 94 HD2 PHE 15 HD1 PHE 15 6.400 -1.788 -0.954 95 HE1 PHE 15 HE2 PHE 15 9.857 0.947 -3.139 96 HE2 PHE 15 HE1 PHE 15 6.038 0.625 -1.269 97 HZ PHE 15 HZ PHE 15 7.769 1.996 -2.361 98 H TYR 16 H TYR 16 9.725 -5.281 -4.533 99 HA TYR 16 HA TYR 16 10.695 -7.330 -4.739 100 HB2 TYR 16 HB2 TYR 16 10.812 -7.039 -1.733 101 HB3 TYR 16 HB3 TYR 16 11.663 -8.283 -2.640 102 HD1 TYR 16 HD1 TYR 16 11.338 -4.589 -2.320 103 HD2 TYR 16 HD2 TYR 16 13.792 -7.858 -3.500 104 HE1 TYR 16 HE1 TYR 16 13.223 -3.045 -2.653 105 HE2 TYR 16 HE2 TYR 16 15.684 -6.324 -3.834 106 HH TYR 16 HH TYR 16 16.273 -3.863 -2.756 107 H ARG 17 H ARG 17 8.355 -7.876 -5.363 108 HA ARG 17 HA ARG 17 7.653 -10.321 -3.959 109 HB2 ARG 17 HB2 ARG 17 6.044 -7.863 -3.855 110 HB3 ARG 17 HB3 ARG 17 5.144 -9.294 -4.338 111 HG2 ARG 17 HG2 ARG 17 5.312 -10.260 -2.300 112 HG3 ARG 17 HG3 ARG 17 6.904 -9.566 -1.981 113 HD2 ARG 17 HD2 ARG 17 5.791 -7.351 -1.682 114 HD3 ARG 17 HD3 ARG 17 4.237 -8.173 -1.813 115 HE ARG 17 HE ARG 17 5.490 -9.530 0.163 116 HH11 ARG 17 HH11 ARG 17 4.860 -6.152 -0.397 117 HH12 ARG 17 HH12 ARG 17 4.774 -5.755 1.288 118 HH21 ARG 17 HH21 ARG 17 5.378 -9.020 2.384 119 HH22 ARG 17 HH22 ARG 17 5.069 -7.387 2.868 120 HA PRO 18 HA PRO 18 7.384 -10.587 -8.572 121 HB2 PRO 18 HB2 PRO 18 8.675 -12.969 -8.732 122 HB3 PRO 18 HB3 PRO 18 9.522 -11.417 -8.695 123 HG2 PRO 18 HG2 PRO 18 9.035 -13.362 -6.472 124 HG3 PRO 18 HG3 PRO 18 10.511 -12.461 -6.869 125 HD2 PRO 18 HD2 PRO 18 8.821 -11.694 -4.897 126 HD3 PRO 18 HD3 PRO 18 9.753 -10.532 -5.861 127 H SER 19 H SER 19 6.286 -12.375 -5.893 128 HA SER 19 HA SER 19 4.499 -13.955 -7.626 129 HB2 SER 19 HB2 SER 19 4.353 -15.404 -5.423 130 HB3 SER 19 HB3 SER 19 5.691 -15.622 -6.552 131 HG SER 19 HG SER 19 5.695 -14.656 -3.984 132 H CYS 20 H CYS 20 2.671 -12.777 -7.685 133 HA CYS 20 HA CYS 20 1.687 -11.120 -5.664 134 HB2 CYS 20 HB2 CYS 20 0.151 -12.552 -7.843 135 HB3 CYS 20 HB3 CYS 20 -0.452 -11.197 -6.893 136 HA PRO 21 HA PRO 21 -0.149 -13.778 -2.693 137 HB2 PRO 21 HB2 PRO 21 -2.279 -12.292 -1.903 138 HB3 PRO 21 HB3 PRO 21 -0.613 -11.890 -1.468 139 HG2 PRO 21 HG2 PRO 21 -2.332 -10.747 -3.636 140 HG3 PRO 21 HG3 PRO 21 -1.249 -9.911 -2.510 141 HD2 PRO 21 HD2 PRO 21 -0.550 -10.462 -5.067 142 HD3 PRO 21 HD3 PRO 21 0.631 -10.422 -3.742 143 H THR 22 H THR 22 -1.880 -15.202 -2.315 144 HA THR 22 HA THR 22 -3.494 -15.746 -4.673 145 HB THR 22 HB THR 22 -3.544 -17.393 -2.160 146 HG1 THR 22 HG1 THR 22 -1.347 -17.136 -2.687 147 HG21 THR 22 HG21 THR 22 -4.069 -17.859 -5.079 148 HG22 THR 22 HG22 THR 22 -5.120 -18.177 -3.698 149 HG23 THR 22 HG23 THR 22 -3.716 -19.201 -3.991 150 H ASP 23 H ASP 23 -3.847 -14.472 -1.475 151 HA ASP 23 HA ASP 23 -6.607 -14.927 -1.108 152 HB2 ASP 23 HB2 ASP 23 -4.592 -13.063 0.073 153 HB3 ASP 23 HB3 ASP 23 -6.301 -12.760 0.376 154 H ARG 24 H ARG 24 -4.841 -12.628 -2.998 155 HA ARG 24 HA ARG 24 -7.155 -10.903 -3.368 156 HB2 ARG 24 HB2 ARG 24 -4.414 -10.756 -4.634 157 HB3 ARG 24 HB3 ARG 24 -5.661 -9.519 -4.714 158 HG2 ARG 24 HG2 ARG 24 -4.656 -10.424 -2.057 159 HG3 ARG 24 HG3 ARG 24 -3.699 -9.299 -3.022 160 HD2 ARG 24 HD2 ARG 24 -5.011 -7.926 -1.656 161 HD3 ARG 24 HD3 ARG 24 -5.841 -7.921 -3.212 162 HE ARG 24 HE ARG 24 -6.899 -9.967 -1.599 163 HH11 ARG 24 HH11 ARG 24 -6.816 -6.494 -1.836 164 HH12 ARG 24 HH12 ARG 24 -8.351 -6.274 -1.063 165 HH21 ARG 24 HH21 ARG 24 -8.922 -9.690 -0.581 166 HH22 ARG 24 HH22 ARG 24 -9.548 -8.093 -0.349 167 H GLY 25 H GLY 25 -7.368 -10.163 -5.820 168 HA2 GLY 25 HA2 GLY 25 -7.613 -12.641 -7.413 169 HA3 GLY 25 HA3 GLY 25 -8.824 -11.367 -7.429 170 H TYR 26 H TYR 26 -5.317 -11.747 -7.959 171 HA TYR 26 HA TYR 26 -5.422 -9.649 -9.984 172 HB2 TYR 26 HB2 TYR 26 -3.053 -11.153 -8.855 173 HB3 TYR 26 HB3 TYR 26 -2.968 -9.781 -9.955 174 HD1 TYR 26 HD2 TYR 26 -4.656 -7.773 -8.964 175 HD2 TYR 26 HD1 TYR 26 -2.405 -10.601 -6.719 176 HE1 TYR 26 HE2 TYR 26 -4.644 -6.233 -7.046 177 HE2 TYR 26 HE1 TYR 26 -2.390 -9.069 -4.794 178 HH TYR 26 HH TYR 26 -4.131 -7.010 -4.068 179 H THR 27 H THR 27 -4.820 -9.947 -12.125 180 HA THR 27 HA THR 27 -4.756 -12.754 -13.024 181 HB THR 27 HB THR 27 -5.670 -11.836 -15.208 182 HG1 THR 27 HG1 THR 27 -6.442 -9.794 -15.240 183 HG21 THR 27 HG21 THR 27 -7.993 -11.317 -13.892 184 HG22 THR 27 HG22 THR 27 -7.085 -12.184 -12.654 185 HG23 THR 27 HG23 THR 27 -7.375 -12.935 -14.224 186 H GLY 28 H GLY 28 -3.581 -9.475 -13.704 187 HA2 GLY 28 HA2 GLY 28 -1.345 -10.694 -15.204 188 HA3 GLY 28 HA3 GLY 28 -2.015 -9.112 -15.572 189 H SER 29 H SER 29 0.738 -9.938 -14.879 190 HA SER 29 HA SER 29 1.136 -8.021 -12.693 191 HB2 SER 29 HB2 SER 29 2.766 -9.425 -11.609 192 HB3 SER 29 HB3 SER 29 1.292 -10.370 -11.815 193 HG SER 29 HG SER 29 3.757 -10.870 -12.746 194 H CYS 30 H CYS 30 2.764 -6.612 -13.014 195 HA CYS 30 HA CYS 30 4.539 -7.088 -15.319 196 HB2 CYS 30 HB2 CYS 30 3.555 -4.392 -14.370 197 HB3 CYS 30 HB3 CYS 30 4.484 -4.732 -15.826 198 H ARG 31 H ARG 31 6.622 -7.189 -14.828 199 HA ARG 31 HA ARG 31 7.666 -6.959 -12.274 200 HB2 ARG 31 HB2 ARG 31 8.982 -6.779 -14.979 201 HB3 ARG 31 HB3 ARG 31 9.905 -6.735 -13.484 202 HG2 ARG 31 HG2 ARG 31 8.543 -8.940 -12.987 203 HG3 ARG 31 HG3 ARG 31 8.445 -8.986 -14.749 204 HD2 ARG 31 HD2 ARG 31 11.113 -8.333 -14.048 205 HD3 ARG 31 HD3 ARG 31 10.621 -9.709 -13.061 206 HE ARG 31 HE ARG 31 10.636 -11.012 -14.940 207 HH11 ARG 31 HH11 ARG 31 10.608 -7.661 -15.883 208 HH12 ARG 31 HH12 ARG 31 10.848 -7.998 -17.566 209 HH21 ARG 31 HH21 ARG 31 10.950 -11.469 -17.153 210 HH22 ARG 31 HH22 ARG 31 11.041 -10.164 -18.287 211 H TYR 32 H TYR 32 8.586 -5.358 -11.089 212 HA TYR 32 HA TYR 32 8.459 -2.644 -12.226 213 HB2 TYR 32 HB2 TYR 32 7.007 -3.429 -10.158 214 HB3 TYR 32 HB3 TYR 32 8.494 -3.106 -9.275 215 HD1 TYR 32 HD1 TYR 32 5.975 -1.556 -11.514 216 HD2 TYR 32 HD2 TYR 32 9.114 -0.904 -8.716 217 HE1 TYR 32 HE1 TYR 32 5.408 0.835 -11.445 218 HE2 TYR 32 HE2 TYR 32 8.553 1.490 -8.638 219 HH TYR 32 HH TYR 32 6.427 2.899 -9.092 220 H PHE 33 H PHE 33 9.995 -1.083 -11.134 221 HA PHE 33 HA PHE 33 12.637 -1.912 -11.553 222 HB2 PHE 33 HB2 PHE 33 11.482 0.492 -11.393 223 HB3 PHE 33 HB3 PHE 33 12.137 0.411 -9.761 224 HD1 PHE 33 HD1 PHE 33 12.957 0.526 -13.330 225 HD2 PHE 33 HD2 PHE 33 14.500 0.507 -9.363 226 HE1 PHE 33 HE1 PHE 33 15.154 1.228 -14.185 227 HE2 PHE 33 HE2 PHE 33 16.699 1.210 -10.212 228 HZ PHE 33 HZ PHE 33 17.029 1.573 -12.625 229 H LEU 34 H LEU 34 11.045 -1.071 -8.472 230 HA LEU 34 HA LEU 34 13.076 -2.687 -7.085 231 HB2 LEU 34 HB2 LEU 34 11.471 -0.297 -6.256 232 HB3 LEU 34 HB3 LEU 34 12.180 -1.373 -5.052 233 HG LEU 34 HG LEU 34 13.926 -0.188 -7.166 234 HD11 LEU 34 HD11 LEU 34 12.604 1.262 -4.942 235 HD12 LEU 34 HD12 LEU 34 13.114 1.839 -6.527 236 HD13 LEU 34 HD13 LEU 34 14.307 1.600 -5.251 237 HD21 LEU 34 HD21 LEU 34 15.589 -0.336 -5.386 238 HD22 LEU 34 HD22 LEU 34 14.818 -1.897 -5.666 239 HD23 LEU 34 HD23 LEU 34 14.354 -0.922 -4.271 240 H GLY 35 H GLY 35 10.823 -3.885 -8.350 241 HA2 GLY 35 HA2 GLY 35 9.983 -5.756 -6.587 242 HA3 GLY 35 HA3 GLY 35 8.850 -4.441 -6.313 243 H THR 36 H THR 36 6.999 -5.224 -7.146 244 HA THR 36 HA THR 36 6.904 -5.618 -10.030 245 HB THR 36 HB THR 36 5.536 -7.668 -8.314 246 HG1 THR 36 HG1 THR 36 7.368 -8.674 -8.001 247 HG21 THR 36 HG21 THR 36 5.995 -7.182 -11.169 248 HG22 THR 36 HG22 THR 36 4.723 -8.102 -10.365 249 HG23 THR 36 HG23 THR 36 6.295 -8.843 -10.660 250 H CYS 37 H CYS 37 4.666 -5.678 -10.852 251 HA CYS 37 HA CYS 37 2.830 -4.212 -9.072 252 HB2 CYS 37 HB2 CYS 37 3.737 -2.819 -10.911 253 HB3 CYS 37 HB3 CYS 37 3.070 -3.956 -12.077 254 H CYS 38 H CYS 38 1.172 -5.440 -8.498 255 HA CYS 38 HA CYS 38 0.280 -7.588 -10.274 256 HB2 CYS 38 HB2 CYS 38 -0.369 -7.001 -7.378 257 HB3 CYS 38 HB3 CYS 38 -1.008 -8.364 -8.290 258 H THR 39 H THR 39 -1.466 -7.361 -11.493 259 HA THR 39 HA THR 39 -3.459 -5.324 -10.733 260 HB THR 39 HB THR 39 -3.921 -5.448 -13.344 261 HG1 THR 39 HG1 THR 39 -1.184 -6.181 -13.056 262 HG21 THR 39 HG21 THR 39 -3.318 -3.434 -12.045 263 HG22 THR 39 HG22 THR 39 -2.543 -3.469 -13.629 264 HG23 THR 39 HG23 THR 39 -1.617 -3.877 -12.186 265 HA PRO 40 HA PRO 40 -5.339 -4.694 -12.186 266 HB2 PRO 40 HB2 PRO 40 -7.810 -4.490 -11.081 267 HB3 PRO 40 HB3 PRO 40 -7.540 -5.065 -12.730 268 HG2 PRO 40 HG2 PRO 40 -8.029 -6.639 -10.231 269 HG3 PRO 40 HG3 PRO 40 -8.704 -6.878 -11.854 270 HD2 PRO 40 HD2 PRO 40 -6.648 -8.358 -10.898 271 HD3 PRO 40 HD3 PRO 40 -6.813 -7.952 -12.618 272 H ALA 41 H ALA 41 -6.043 -2.874 -10.663 273 HA ALA 41 HA ALA 41 -4.522 -3.106 -8.244 274 HB1 ALA 41 HB1 ALA 41 -5.686 -0.970 -9.829 275 HB2 ALA 41 HB2 ALA 41 -5.868 -0.701 -8.095 276 HB3 ALA 41 HB3 ALA 41 -4.266 -0.960 -8.783 277 H ASP 42 H ASP 42 -5.340 -4.190 -6.569 278 HA ASP 42 HA ASP 42 -7.988 -4.770 -6.046 279 HB2 ASP 42 HB2 ASP 42 -7.292 -5.579 -3.974 280 HB3 ASP 42 HB3 ASP 42 -5.812 -5.649 -4.929 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.740 0.966 0.149 2 HA2 GLY 1 HA2 GLY 1 2.881 -0.205 -1.266 3 HA3 GLY 1 HA3 GLY 1 1.367 -0.836 -1.897 4 H THR 2 H THR 2 2.782 0.435 -3.691 5 HA THR 2 HA THR 2 1.739 3.186 -3.807 6 HB THR 2 HB THR 2 3.848 2.240 -5.697 7 HG1 THR 2 HG1 THR 2 5.427 2.815 -4.089 8 HG21 THR 2 HG21 THR 2 3.617 4.406 -6.224 9 HG22 THR 2 HG22 THR 2 4.488 4.741 -4.728 10 HG23 THR 2 HG23 THR 2 2.724 4.755 -4.746 11 H ALA 3 H ALA 3 1.248 3.963 -6.059 12 HA ALA 3 HA ALA 3 -0.446 1.986 -7.368 13 HB1 ALA 3 HB1 ALA 3 -1.399 3.898 -8.567 14 HB2 ALA 3 HB2 ALA 3 -1.433 4.140 -6.819 15 HB3 ALA 3 HB3 ALA 3 -0.218 4.962 -7.800 16 H CYS 4 H CYS 4 0.115 0.970 -9.174 17 HA CYS 4 HA CYS 4 2.215 2.161 -10.864 18 HB2 CYS 4 HB2 CYS 4 2.830 -0.249 -11.417 19 HB3 CYS 4 HB3 CYS 4 3.266 0.322 -9.810 20 H SER 5 H SER 5 2.213 1.121 -13.111 21 HA SER 5 HA SER 5 -0.532 0.555 -13.998 22 HB2 SER 5 HB2 SER 5 0.971 2.057 -15.978 23 HB3 SER 5 HB3 SER 5 -0.633 2.371 -15.317 24 HG SER 5 HG SER 5 1.841 3.068 -14.110 25 H CYS 6 H CYS 6 -0.738 -0.875 -15.686 26 HA CYS 6 HA CYS 6 1.726 -2.287 -16.442 27 HB2 CYS 6 HB2 CYS 6 -1.104 -3.137 -16.040 28 HB3 CYS 6 HB3 CYS 6 -0.141 -4.008 -17.229 29 H GLY 7 H GLY 7 0.546 0.198 -17.672 30 HA2 GLY 7 HA2 GLY 7 1.213 0.544 -20.056 31 HA3 GLY 7 HA3 GLY 7 0.213 -0.856 -20.413 32 H ASN 8 H ASN 8 -2.119 -0.585 -19.466 33 HA ASN 8 HA ASN 8 -3.045 2.171 -19.859 34 HB2 ASN 8 HB2 ASN 8 -4.231 -0.259 -21.219 35 HB3 ASN 8 HB3 ASN 8 -4.888 1.372 -21.290 36 HD21 ASN 8 HD21 ASN 8 -2.308 -0.728 -22.302 37 HD22 ASN 8 HD22 ASN 8 -1.705 0.289 -23.561 38 H SER 9 H SER 9 -2.720 0.348 -17.531 39 HA SER 9 HA SER 9 -5.372 0.759 -16.418 40 HB2 SER 9 HB2 SER 9 -5.253 -1.598 -17.416 41 HB3 SER 9 HB3 SER 9 -4.097 -1.961 -16.134 42 HG SER 9 HG SER 9 -6.679 -0.896 -15.653 43 H LYS 10 H LYS 10 -5.364 0.175 -14.020 44 HA LYS 10 HA LYS 10 -2.796 1.044 -12.880 45 HB2 LYS 10 HB2 LYS 10 -5.579 1.251 -11.713 46 HB3 LYS 10 HB3 LYS 10 -4.105 1.845 -10.959 47 HG2 LYS 10 HG2 LYS 10 -3.799 3.452 -12.738 48 HG3 LYS 10 HG3 LYS 10 -5.206 2.813 -13.591 49 HD2 LYS 10 HD2 LYS 10 -5.992 4.732 -12.488 50 HD3 LYS 10 HD3 LYS 10 -6.528 3.384 -11.481 51 HE2 LYS 10 HE2 LYS 10 -4.386 3.759 -10.145 52 HE3 LYS 10 HE3 LYS 10 -4.255 5.293 -11.003 53 HZ1 LYS 10 HZ1 LYS 10 -5.399 5.348 -8.775 54 HZ2 LYS 10 HZ2 LYS 10 -6.686 4.525 -9.500 55 HZ3 LYS 10 HZ3 LYS 10 -6.244 6.059 -10.057 56 H GLY 11 H GLY 11 -1.978 0.038 -11.014 57 HA2 GLY 11 HA2 GLY 11 -3.326 -2.356 -10.031 58 HA3 GLY 11 HA3 GLY 11 -1.774 -2.601 -10.819 59 H ILE 12 H ILE 12 -1.836 -3.480 -8.354 60 HA ILE 12 HA ILE 12 -0.901 -1.371 -6.557 61 HB ILE 12 HB ILE 12 -1.454 -4.288 -6.005 62 HG12 ILE 12 HG12 ILE 12 -3.489 -3.026 -6.491 63 HG13 ILE 12 HG13 ILE 12 -3.418 -3.429 -4.779 64 HG21 ILE 12 HG21 ILE 12 -0.211 -2.150 -4.417 65 HG22 ILE 12 HG22 ILE 12 -1.466 -3.072 -3.590 66 HG23 ILE 12 HG23 ILE 12 -0.068 -3.902 -4.275 67 HD11 ILE 12 HD11 ILE 12 -3.648 -0.873 -6.031 68 HD12 ILE 12 HD12 ILE 12 -3.758 -1.297 -4.323 69 HD13 ILE 12 HD13 ILE 12 -2.191 -0.926 -5.040 70 H TYR 13 H TYR 13 1.184 -1.033 -6.162 71 HA TYR 13 HA TYR 13 3.157 -2.785 -7.372 72 HB2 TYR 13 HB2 TYR 13 3.603 -0.496 -7.740 73 HB3 TYR 13 HB3 TYR 13 3.293 -0.078 -6.059 74 HD1 TYR 13 HD1 TYR 13 5.444 -2.772 -7.471 75 HD2 TYR 13 HD2 TYR 13 5.273 0.883 -5.301 76 HE1 TYR 13 HE1 TYR 13 7.850 -2.953 -6.989 77 HE2 TYR 13 HE2 TYR 13 7.678 0.714 -4.814 78 HH TYR 13 HH TYR 13 9.653 -0.355 -5.633 79 H TRP 14 H TRP 14 3.800 -4.508 -6.267 80 HA TRP 14 HA TRP 14 3.883 -4.407 -3.344 81 HB2 TRP 14 HB2 TRP 14 4.117 -6.734 -5.263 82 HB3 TRP 14 HB3 TRP 14 4.197 -6.874 -3.509 83 HD1 TRP 14 HD1 TRP 14 1.714 -6.074 -6.331 84 HE1 TRP 14 HE1 TRP 14 -0.675 -6.410 -5.431 85 HE3 TRP 14 HE3 TRP 14 2.812 -6.918 -1.410 86 HZ2 TRP 14 HZ2 TRP 14 -1.927 -6.958 -2.961 87 HZ3 TRP 14 HZ3 TRP 14 0.962 -7.338 0.156 88 HH2 TRP 14 HH2 TRP 14 -1.358 -7.358 -0.606 89 H PHE 15 H PHE 15 5.729 -4.012 -2.336 90 HA PHE 15 HA PHE 15 8.201 -3.770 -3.691 91 HB2 PHE 15 HB2 PHE 15 7.332 -3.647 -0.832 92 HB3 PHE 15 HB3 PHE 15 9.051 -3.755 -1.195 93 HD1 PHE 15 HD2 PHE 15 9.880 -2.048 -3.036 94 HD2 PHE 15 HD1 PHE 15 6.389 -1.566 -0.650 95 HE1 PHE 15 HE2 PHE 15 9.951 0.380 -3.429 96 HE2 PHE 15 HE1 PHE 15 6.454 0.863 -1.040 97 HZ PHE 15 HZ PHE 15 8.237 1.839 -2.429 98 H TYR 16 H TYR 16 9.458 -5.360 -4.373 99 HA TYR 16 HA TYR 16 10.421 -7.412 -4.607 100 HB2 TYR 16 HB2 TYR 16 10.404 -7.201 -1.591 101 HB3 TYR 16 HB3 TYR 16 11.316 -8.402 -2.497 102 HD1 TYR 16 HD2 TYR 16 10.925 -4.735 -2.028 103 HD2 TYR 16 HD1 TYR 16 13.459 -7.907 -3.299 104 HE1 TYR 16 HE2 TYR 16 12.795 -3.152 -2.231 105 HE2 TYR 16 HE1 TYR 16 15.338 -6.333 -3.505 106 HH TYR 16 HH TYR 16 15.583 -3.800 -3.885 107 H ARG 17 H ARG 17 8.144 -7.992 -5.362 108 HA ARG 17 HA ARG 17 7.387 -10.455 -4.022 109 HB2 ARG 17 HB2 ARG 17 5.762 -8.015 -3.964 110 HB3 ARG 17 HB3 ARG 17 4.896 -9.426 -4.555 111 HG2 ARG 17 HG2 ARG 17 5.488 -10.643 -2.521 112 HG3 ARG 17 HG3 ARG 17 6.357 -9.226 -1.929 113 HD2 ARG 17 HD2 ARG 17 4.442 -8.071 -1.473 114 HD3 ARG 17 HD3 ARG 17 3.528 -8.870 -2.753 115 HE ARG 17 HE ARG 17 2.888 -10.470 -1.247 116 HH11 ARG 17 HH11 ARG 17 5.578 -8.688 0.059 117 HH12 ARG 17 HH12 ARG 17 5.473 -9.423 1.624 118 HH21 ARG 17 HH21 ARG 17 2.739 -11.445 0.810 119 HH22 ARG 17 HH22 ARG 17 3.859 -10.992 2.050 120 HA PRO 18 HA PRO 18 7.396 -10.715 -8.635 121 HB2 PRO 18 HB2 PRO 18 8.652 -13.121 -8.713 122 HB3 PRO 18 HB3 PRO 18 9.522 -11.586 -8.616 123 HG2 PRO 18 HG2 PRO 18 8.850 -13.524 -6.436 124 HG3 PRO 18 HG3 PRO 18 10.365 -12.651 -6.729 125 HD2 PRO 18 HD2 PRO 18 8.560 -11.856 -4.874 126 HD3 PRO 18 HD3 PRO 18 9.577 -10.709 -5.769 127 H SER 19 H SER 19 6.082 -12.481 -6.042 128 HA SER 19 HA SER 19 4.311 -13.931 -7.898 129 HB2 SER 19 HB2 SER 19 4.139 -15.683 -6.057 130 HB3 SER 19 HB3 SER 19 5.677 -15.619 -6.919 131 HG SER 19 HG SER 19 6.568 -14.511 -5.189 132 H CYS 20 H CYS 20 2.505 -12.725 -7.828 133 HA CYS 20 HA CYS 20 1.558 -11.162 -5.764 134 HB2 CYS 20 HB2 CYS 20 -0.023 -12.664 -7.860 135 HB3 CYS 20 HB3 CYS 20 -0.677 -11.383 -6.844 136 HA PRO 21 HA PRO 21 -0.005 -13.822 -2.641 137 HB2 PRO 21 HB2 PRO 21 -2.131 -12.390 -1.744 138 HB3 PRO 21 HB3 PRO 21 -0.456 -11.928 -1.421 139 HG2 PRO 21 HG2 PRO 21 -2.343 -10.882 -3.496 140 HG3 PRO 21 HG3 PRO 21 -1.220 -9.990 -2.453 141 HD2 PRO 21 HD2 PRO 21 -0.663 -10.564 -5.040 142 HD3 PRO 21 HD3 PRO 21 0.596 -10.462 -3.792 143 H THR 22 H THR 22 -2.018 -14.938 -1.884 144 HA THR 22 HA THR 22 -3.624 -15.730 -4.212 145 HB THR 22 HB THR 22 -4.194 -17.754 -2.878 146 HG1 THR 22 HG1 THR 22 -3.671 -17.795 -0.834 147 HG21 THR 22 HG21 THR 22 -1.208 -17.536 -2.938 148 HG22 THR 22 HG22 THR 22 -2.129 -17.461 -4.439 149 HG23 THR 22 HG23 THR 22 -2.240 -18.886 -3.407 150 H ASP 23 H ASP 23 -3.809 -14.273 -1.085 151 HA ASP 23 HA ASP 23 -6.587 -14.692 -0.627 152 HB2 ASP 23 HB2 ASP 23 -4.812 -12.505 0.479 153 HB3 ASP 23 HB3 ASP 23 -6.359 -13.034 1.136 154 H ARG 24 H ARG 24 -4.792 -12.517 -2.592 155 HA ARG 24 HA ARG 24 -6.981 -10.616 -2.829 156 HB2 ARG 24 HB2 ARG 24 -4.333 -10.691 -4.286 157 HB3 ARG 24 HB3 ARG 24 -5.476 -9.355 -4.273 158 HG2 ARG 24 HG2 ARG 24 -4.337 -10.360 -1.704 159 HG3 ARG 24 HG3 ARG 24 -3.388 -9.291 -2.737 160 HD2 ARG 24 HD2 ARG 24 -6.139 -8.397 -2.332 161 HD3 ARG 24 HD3 ARG 24 -5.201 -8.490 -0.842 162 HE ARG 24 HE ARG 24 -3.866 -7.136 -3.008 163 HH11 ARG 24 HH11 ARG 24 -6.005 -6.809 -0.281 164 HH12 ARG 24 HH12 ARG 24 -5.677 -5.122 -0.060 165 HH21 ARG 24 HH21 ARG 24 -3.427 -4.916 -2.728 166 HH22 ARG 24 HH22 ARG 24 -4.211 -4.047 -1.454 167 H GLY 25 H GLY 25 -7.254 -9.869 -5.290 168 HA2 GLY 25 HA2 GLY 25 -7.811 -12.328 -6.834 169 HA3 GLY 25 HA3 GLY 25 -8.920 -10.967 -6.780 170 H TYR 26 H TYR 26 -5.504 -11.634 -7.551 171 HA TYR 26 HA TYR 26 -5.650 -9.596 -9.654 172 HB2 TYR 26 HB2 TYR 26 -3.241 -10.986 -8.463 173 HB3 TYR 26 HB3 TYR 26 -3.191 -9.706 -9.671 174 HD1 TYR 26 HD2 TYR 26 -4.972 -7.684 -8.770 175 HD2 TYR 26 HD1 TYR 26 -2.468 -10.211 -6.436 176 HE1 TYR 26 HE2 TYR 26 -4.942 -5.995 -6.984 177 HE2 TYR 26 HE1 TYR 26 -2.433 -8.528 -4.642 178 HH TYR 26 HH TYR 26 -2.833 -5.743 -4.725 179 H THR 27 H THR 27 -5.098 -10.038 -11.781 180 HA THR 27 HA THR 27 -5.058 -12.900 -12.485 181 HB THR 27 HB THR 27 -6.158 -12.385 -14.547 182 HG1 THR 27 HG1 THR 27 -5.825 -10.476 -15.382 183 HG21 THR 27 HG21 THR 27 -7.861 -10.612 -12.991 184 HG22 THR 27 HG22 THR 27 -7.343 -12.025 -12.074 185 HG23 THR 27 HG23 THR 27 -8.184 -12.230 -13.610 186 H GLY 28 H GLY 28 -3.874 -9.702 -13.512 187 HA2 GLY 28 HA2 GLY 28 -1.641 -11.076 -14.872 188 HA3 GLY 28 HA3 GLY 28 -2.273 -9.505 -15.345 189 H SER 29 H SER 29 0.464 -10.309 -14.636 190 HA SER 29 HA SER 29 0.904 -8.301 -12.540 191 HB2 SER 29 HB2 SER 29 2.473 -9.650 -11.374 192 HB3 SER 29 HB3 SER 29 1.077 -10.690 -11.656 193 HG SER 29 HG SER 29 3.633 -10.796 -12.750 194 H CYS 30 H CYS 30 2.579 -6.939 -12.900 195 HA CYS 30 HA CYS 30 4.317 -7.506 -15.210 196 HB2 CYS 30 HB2 CYS 30 3.348 -4.750 -14.452 197 HB3 CYS 30 HB3 CYS 30 4.188 -5.232 -15.922 198 H ARG 31 H ARG 31 6.393 -7.571 -14.689 199 HA ARG 31 HA ARG 31 7.446 -7.170 -12.177 200 HB2 ARG 31 HB2 ARG 31 9.605 -7.329 -13.158 201 HB3 ARG 31 HB3 ARG 31 8.540 -8.332 -14.132 202 HG2 ARG 31 HG2 ARG 31 9.258 -7.252 -15.923 203 HG3 ARG 31 HG3 ARG 31 8.466 -5.798 -15.311 204 HD2 ARG 31 HD2 ARG 31 10.683 -5.652 -13.866 205 HD3 ARG 31 HD3 ARG 31 11.326 -6.600 -15.207 206 HE ARG 31 HE ARG 31 9.944 -4.444 -16.294 207 HH11 ARG 31 HH11 ARG 31 12.752 -5.016 -14.317 208 HH12 ARG 31 HH12 ARG 31 13.586 -3.600 -14.864 209 HH21 ARG 31 HH21 ARG 31 11.032 -2.577 -17.022 210 HH22 ARG 31 HH22 ARG 31 12.607 -2.212 -16.402 211 H TYR 32 H TYR 32 8.584 -5.518 -11.161 212 HA TYR 32 HA TYR 32 8.200 -2.840 -12.332 213 HB2 TYR 32 HB2 TYR 32 6.949 -3.616 -10.137 214 HB3 TYR 32 HB3 TYR 32 8.488 -3.219 -9.382 215 HD1 TYR 32 HD1 TYR 32 5.909 -1.769 -11.655 216 HD2 TYR 32 HD2 TYR 32 8.904 -1.030 -8.725 217 HE1 TYR 32 HE1 TYR 32 5.260 0.602 -11.599 218 HE2 TYR 32 HE2 TYR 32 8.263 1.343 -8.660 219 HH TYR 32 HH TYR 32 5.422 2.525 -10.266 220 H PHE 33 H PHE 33 9.737 -1.195 -11.242 221 HA PHE 33 HA PHE 33 12.348 -1.778 -11.987 222 HB2 PHE 33 HB2 PHE 33 11.160 0.501 -11.470 223 HB3 PHE 33 HB3 PHE 33 11.808 0.254 -9.852 224 HD1 PHE 33 HD1 PHE 33 12.940 0.138 -13.405 225 HD2 PHE 33 HD2 PHE 33 13.862 1.151 -9.376 226 HE1 PHE 33 HE1 PHE 33 15.100 1.062 -14.136 227 HE2 PHE 33 HE2 PHE 33 16.024 2.078 -10.099 228 HZ PHE 33 HZ PHE 33 16.645 2.035 -12.482 229 H LEU 34 H LEU 34 10.994 -1.610 -8.696 230 HA LEU 34 HA LEU 34 13.366 -3.032 -7.710 231 HB2 LEU 34 HB2 LEU 34 11.383 -1.189 -6.467 232 HB3 LEU 34 HB3 LEU 34 12.197 -2.375 -5.448 233 HG LEU 34 HG LEU 34 13.832 -0.575 -7.181 234 HD11 LEU 34 HD11 LEU 34 12.906 0.247 -4.444 235 HD12 LEU 34 HD12 LEU 34 12.102 0.787 -5.918 236 HD13 LEU 34 HD13 LEU 34 13.795 1.196 -5.637 237 HD21 LEU 34 HD21 LEU 34 15.510 -0.976 -5.601 238 HD22 LEU 34 HD22 LEU 34 14.704 -2.533 -5.788 239 HD23 LEU 34 HD23 LEU 34 14.359 -1.525 -4.382 240 H GLY 35 H GLY 35 9.816 -3.048 -7.482 241 HA2 GLY 35 HA2 GLY 35 9.988 -5.877 -6.648 242 HA3 GLY 35 HA3 GLY 35 8.695 -4.790 -6.164 243 H THR 36 H THR 36 6.891 -5.551 -7.060 244 HA THR 36 HA THR 36 6.811 -5.810 -9.971 245 HB THR 36 HB THR 36 5.516 -7.914 -8.246 246 HG1 THR 36 HG1 THR 36 7.415 -8.808 -8.041 247 HG21 THR 36 HG21 THR 36 6.067 -9.013 -10.682 248 HG22 THR 36 HG22 THR 36 5.732 -7.337 -11.116 249 HG23 THR 36 HG23 THR 36 4.528 -8.278 -10.236 250 H CYS 37 H CYS 37 4.635 -5.745 -10.847 251 HA CYS 37 HA CYS 37 2.778 -4.321 -9.059 252 HB2 CYS 37 HB2 CYS 37 3.670 -2.986 -10.953 253 HB3 CYS 37 HB3 CYS 37 2.969 -4.151 -12.072 254 H CYS 38 H CYS 38 1.001 -5.382 -8.518 255 HA CYS 38 HA CYS 38 0.139 -7.647 -10.173 256 HB2 CYS 38 HB2 CYS 38 -0.428 -6.913 -7.299 257 HB3 CYS 38 HB3 CYS 38 -1.241 -8.232 -8.135 258 H THR 39 H THR 39 -1.617 -7.492 -11.393 259 HA THR 39 HA THR 39 -3.586 -5.390 -10.761 260 HB THR 39 HB THR 39 -4.026 -5.611 -13.363 261 HG1 THR 39 HG1 THR 39 -1.331 -6.451 -13.009 262 HG21 THR 39 HG21 THR 39 -1.666 -4.050 -12.309 263 HG22 THR 39 HG22 THR 39 -3.351 -3.569 -12.109 264 HG23 THR 39 HG23 THR 39 -2.647 -3.667 -13.722 265 HA PRO 40 HA PRO 40 -5.446 -4.807 -12.253 266 HB2 PRO 40 HB2 PRO 40 -7.925 -4.535 -11.179 267 HB3 PRO 40 HB3 PRO 40 -7.646 -5.181 -12.800 268 HG2 PRO 40 HG2 PRO 40 -8.171 -6.644 -10.242 269 HG3 PRO 40 HG3 PRO 40 -8.833 -6.945 -11.858 270 HD2 PRO 40 HD2 PRO 40 -6.799 -8.402 -10.823 271 HD3 PRO 40 HD3 PRO 40 -6.946 -8.067 -12.561 272 H ALA 41 H ALA 41 -6.159 -2.920 -10.812 273 HA ALA 41 HA ALA 41 -4.650 -3.053 -8.379 274 HB1 ALA 41 HB1 ALA 41 -6.151 -0.657 -8.465 275 HB2 ALA 41 HB2 ALA 41 -4.437 -0.889 -8.809 276 HB3 ALA 41 HB3 ALA 41 -5.622 -1.013 -10.109 277 H ASP 42 H ASP 42 -5.460 -4.037 -6.645 278 HA ASP 42 HA ASP 42 -8.321 -4.022 -6.130 279 HB2 ASP 42 HB2 ASP 42 -5.972 -5.488 -4.983 280 HB3 ASP 42 HB3 ASP 42 -7.477 -5.405 -4.071
Contact the webmaster for help, if required. Sunday, June 16, 2024 12:58:29 PM GMT (wattos1)