NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645097 | 6nk9 | 30555 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 9 HT1 CYS 9 1.382 -9.598 -5.655 2 H2 CYS 9 HT2 CYS 9 1.086 -10.019 -4.043 3 H3 CYS 9 HT3 CYS 9 2.674 -9.821 -4.586 4 HA CYS 9 HA CYS 9 2.338 -7.501 -4.934 5 HB2 CYS 9 HB2 CYS 9 -0.474 -8.180 -4.196 6 HB3 CYS 9 HB1 CYS 9 0.143 -6.555 -3.953 7 H GLY 10 HN GLY 10 2.349 -5.874 -3.225 8 HA2 GLY 10 HA2 GLY 10 3.361 -6.722 -0.755 9 HA3 GLY 10 HA1 GLY 10 2.767 -5.106 -1.129 10 H GLY 11 HN GLY 11 0.918 -4.434 -0.239 11 HA2 GLY 11 HA2 GLY 11 -1.451 -5.292 0.214 12 HA3 GLY 11 HA1 GLY 11 -0.636 -6.409 1.296 13 H ALA 12 HN ALA 12 -2.381 -5.101 2.612 14 HA ALA 12 HA ALA 12 -1.702 -2.475 3.440 15 HB1 ALA 12 HB1 ALA 12 -3.980 -3.422 3.598 16 HB2 ALA 12 HB2 ALA 12 -3.408 -2.742 5.121 17 HB3 ALA 12 HB3 ALA 12 -3.417 -4.489 4.883 18 H GLY 13 HN GLY 13 -0.020 -1.919 4.623 19 HA2 GLY 13 HA2 GLY 13 1.251 -1.872 6.589 20 HA3 GLY 13 HA1 GLY 13 0.658 -3.475 6.992 21 H ALA 14 HN ALA 14 1.623 -3.442 3.804 22 HA ALA 14 HA ALA 14 4.083 -4.851 4.483 23 HB1 ALA 14 HB1 ALA 14 2.742 -4.463 1.809 24 HB2 ALA 14 HB2 ALA 14 2.541 -5.859 2.867 25 HB3 ALA 14 HB3 ALA 14 4.113 -5.522 2.141 26 H LYS 15 HN LYS 15 6.087 -4.093 4.118 27 HA LYS 15 HA LYS 15 6.593 -1.377 3.780 28 HB2 LYS 15 HB2 LYS 15 8.960 -2.087 3.375 29 HB3 LYS 15 HB1 LYS 15 8.232 -2.730 4.839 30 HG2 LYS 15 HG2 LYS 15 7.804 -4.854 3.651 31 HG3 LYS 15 HG1 LYS 15 8.645 -4.196 2.245 32 HD2 LYS 15 HD2 LYS 15 9.887 -4.409 4.973 33 HD3 LYS 15 HD1 LYS 15 10.034 -5.663 3.743 34 HE2 LYS 15 HE2 LYS 15 11.083 -4.040 2.232 35 HE3 LYS 15 HE1 LYS 15 10.942 -2.799 3.476 36 HZ1 LYS 15 HZ1 LYS 15 12.481 -5.317 3.783 37 HZ2 LYS 15 HZ2 LYS 15 12.420 -4.034 4.879 38 HZ3 LYS 15 HZ3 LYS 15 13.157 -3.822 3.372 39 H CYS 16 HN CYS 16 7.199 -0.116 2.058 40 HA CYS 16 HA CYS 16 7.118 -1.309 -0.618 41 HB2 CYS 16 HB2 CYS 16 5.533 0.493 -1.335 42 HB3 CYS 16 HB1 CYS 16 4.829 -0.667 -0.212 43 H SER 17 HN SER 17 8.110 -0.056 -2.230 44 HA SER 17 HA SER 17 9.602 2.303 -1.303 45 HB2 SER 17 HB2 SER 17 9.978 0.702 -3.850 46 HB3 SER 17 HB1 SER 17 11.039 1.969 -3.237 47 HG SER 17 HG SER 17 11.119 0.479 -1.284 48 H THR 18 HN THR 18 7.407 1.035 -3.698 49 HA THR 18 HA THR 18 6.402 3.754 -4.202 50 HB THR 18 HB THR 18 5.881 3.029 -6.546 51 HG1 THR 18 HG1 THR 18 7.180 0.722 -5.605 52 HG21 THR 18 HG21 THR 18 8.809 2.992 -5.799 53 HG22 THR 18 HG22 THR 18 7.836 4.428 -6.121 54 HG23 THR 18 HG23 THR 18 8.170 3.280 -7.417 55 H LYS 19 HN LYS 19 4.081 3.441 -5.325 56 HA LYS 19 HA LYS 19 2.595 1.716 -3.568 57 HB2 LYS 19 HB2 LYS 19 0.620 2.625 -4.529 58 HB3 LYS 19 HB1 LYS 19 1.763 3.947 -4.375 59 HG2 LYS 19 HG2 LYS 19 2.312 3.661 -6.790 60 HG3 LYS 19 HG1 LYS 19 1.004 2.481 -6.886 61 HD2 LYS 19 HD2 LYS 19 -0.562 4.214 -6.054 62 HD3 LYS 19 HD1 LYS 19 0.757 5.383 -6.103 63 HE2 LYS 19 HE2 LYS 19 -0.555 5.640 -8.086 64 HE3 LYS 19 HE1 LYS 19 0.993 4.926 -8.533 65 HZ1 LYS 19 HZ1 LYS 19 -0.069 2.763 -8.620 66 HZ2 LYS 19 HZ2 LYS 19 -0.852 3.843 -9.656 67 HZ3 LYS 19 HZ3 LYS 19 -1.552 3.440 -8.174 68 H SER 20 HN SER 20 4.117 1.388 -6.561 69 HA SER 20 HA SER 20 2.485 -0.691 -7.644 70 HB2 SER 20 HB2 SER 20 5.363 -0.028 -8.295 71 HB3 SER 20 HB1 SER 20 4.215 -0.901 -9.311 72 HG SER 20 HG SER 20 4.534 1.404 -9.795 73 H ASP 21 HN ASP 21 4.515 -0.595 -5.023 74 HA ASP 21 HA ASP 21 5.539 -3.290 -5.236 75 HB2 ASP 21 HB2 ASP 21 5.584 -1.229 -3.032 76 HB3 ASP 21 HB1 ASP 21 6.152 -2.876 -2.781 77 H CYS 22 HN CYS 22 2.599 -1.979 -4.672 78 HA CYS 22 HA CYS 22 1.667 -4.435 -3.380 79 HB2 CYS 22 HB2 CYS 22 0.795 -1.626 -2.679 80 HB3 CYS 22 HB1 CYS 22 0.006 -3.085 -2.101 81 H CYS 23 HN CYS 23 -0.686 -4.828 -3.850 82 HA CYS 23 HA CYS 23 -1.221 -4.398 -6.605 83 HB2 CYS 23 HB2 CYS 23 -2.643 -5.704 -4.347 84 HB3 CYS 23 HB1 CYS 23 -3.624 -5.202 -5.716 85 H SER 24 HN SER 24 -2.915 -3.211 -7.558 86 HA SER 24 HA SER 24 -3.171 -0.578 -6.713 87 HB2 SER 24 HB2 SER 24 -3.540 -1.274 -9.036 88 HB3 SER 24 HB1 SER 24 -5.002 -2.131 -8.556 89 HG SER 24 HG SER 24 -5.781 -0.229 -9.186 90 H GLY 25 HN GLY 25 -3.879 -0.223 -4.724 91 HA2 GLY 25 HA2 GLY 25 -6.419 0.090 -3.931 92 HA3 GLY 25 HA1 GLY 25 -6.151 -1.624 -3.622 93 H LEU 26 HN LEU 26 -3.468 -1.534 -2.940 94 HA LEU 26 HA LEU 26 -3.543 -0.109 -0.379 95 HB2 LEU 26 HB2 LEU 26 -1.529 -2.159 -1.309 96 HB3 LEU 26 HB1 LEU 26 -1.684 -1.498 0.301 97 HG LEU 26 HG LEU 26 -2.569 -3.635 0.487 98 HD11 LEU 26 HD11 LEU 26 -4.894 -1.795 0.010 99 HD12 LEU 26 HD12 LEU 26 -4.042 -2.077 1.529 100 HD13 LEU 26 HD13 LEU 26 -4.999 -3.367 0.801 101 HD21 LEU 26 HD21 LEU 26 -2.647 -4.203 -1.866 102 HD22 LEU 26 HD22 LEU 26 -4.081 -3.198 -2.079 103 HD23 LEU 26 HD23 LEU 26 -4.157 -4.642 -1.068 104 H TRP 27 HN TRP 27 -2.649 1.829 -0.412 105 HA TRP 27 HA TRP 27 -0.739 2.460 -2.538 106 HB2 TRP 27 HB2 TRP 27 -2.519 4.182 -0.812 107 HB3 TRP 27 HB1 TRP 27 -1.261 4.859 -1.844 108 HD1 TRP 27 HD1 TRP 27 -4.120 2.276 -2.447 109 HE1 TRP 27 HE1 TRP 27 -5.270 2.882 -4.670 110 HE3 TRP 27 HE3 TRP 27 -1.360 6.400 -3.690 111 HZ2 TRP 27 HZ2 TRP 27 -5.049 4.859 -6.667 112 HZ3 TRP 27 HZ3 TRP 27 -1.899 7.591 -5.773 113 HH2 TRP 27 HH2 TRP 27 -3.705 6.834 -7.228 114 H CYS 28 HN CYS 28 1.191 3.606 -2.086 115 HA CYS 28 HA CYS 28 2.370 2.647 0.387 116 HB2 CYS 28 HB2 CYS 28 3.501 2.291 -1.793 117 HB3 CYS 28 HB1 CYS 28 3.665 4.033 -1.969 118 H SER 29 HN SER 29 2.526 3.872 2.130 119 HA SER 29 HA SER 29 1.999 6.685 2.069 120 HB2 SER 29 HB2 SER 29 1.371 5.191 3.978 121 HB3 SER 29 HB1 SER 29 3.083 5.004 4.346 122 HG SER 29 HG SER 29 1.643 7.459 4.323 123 H GLY 30 HN GLY 30 3.584 7.577 0.754 124 HA2 GLY 30 HA2 GLY 30 5.571 8.685 0.387 125 HA3 GLY 30 HA1 GLY 30 6.062 8.235 2.015 126 H SER 31 HN SER 31 7.107 6.274 2.358 127 HA SER 31 HA SER 31 7.655 4.479 0.181 128 HB2 SER 31 HB2 SER 31 10.172 4.765 0.462 129 HB3 SER 31 HB1 SER 31 9.342 6.074 -0.382 130 HG SER 31 HG SER 31 10.185 7.323 1.073 131 H GLY 32 HN GLY 32 6.470 4.473 2.856 132 HA2 GLY 32 HA2 GLY 32 8.395 2.846 4.371 133 HA3 GLY 32 HA1 GLY 32 6.966 3.618 5.037 134 H HIS 33 HN HIS 33 4.897 2.705 4.583 135 HA HIS 33 HA HIS 33 4.914 0.011 3.455 136 HB2 HIS 33 HB2 HIS 33 3.293 -0.578 5.456 137 HB3 HIS 33 HB1 HIS 33 5.036 -0.739 5.621 138 HD1 HIS 33 HD1 HIS 33 2.121 1.200 6.905 139 HD2 HIS 33 HD2 HIS 33 6.255 1.130 7.305 140 HE1 HIS 33 HE1 HIS 33 2.625 2.619 8.917 141 HE2 HIS 33 HE2 HIS 33 5.118 2.422 9.238 142 H CYS 34 HN CYS 34 3.005 -0.674 2.583 143 HA CYS 34 HA CYS 34 1.324 1.344 1.536 144 HB2 CYS 34 HB2 CYS 34 1.049 -1.667 1.539 145 HB3 CYS 34 HB1 CYS 34 0.015 -0.585 0.622 146 H TYR 35 HN TYR 35 -0.725 1.966 2.027 147 HA TYR 35 HA TYR 35 -1.943 0.746 4.413 148 HB2 TYR 35 HB2 TYR 35 -3.132 2.908 4.742 149 HB3 TYR 35 HB1 TYR 35 -1.385 3.055 4.862 150 HD1 TYR 35 HD1 TYR 35 -0.115 4.213 3.115 151 HD2 TYR 35 HD2 TYR 35 -4.360 4.000 2.977 152 HE1 TYR 35 HE1 TYR 35 -0.144 6.034 1.466 153 HE2 TYR 35 HE2 TYR 35 -4.399 5.818 1.321 154 HH TYR 35 HH TYR 35 -2.930 7.721 0.643 155 H HIS 36 HN HIS 36 -4.209 0.449 4.414 156 HA HIS 36 HA HIS 36 -5.077 -0.474 1.833 157 HB2 HIS 36 HB2 HIS 36 -6.911 -1.560 3.024 158 HB3 HIS 36 HB1 HIS 36 -5.373 -1.910 3.781 159 HD1 HIS 36 HD1 HIS 36 -7.823 -2.403 5.403 160 HD2 HIS 36 HD2 HIS 36 -5.889 1.275 5.385 161 HE1 HIS 36 HE1 HIS 36 -8.493 -1.277 7.547 162 HE2 HIS 36 HE2 HIS 36 -7.454 1.016 7.426 163 H ARG 37 HN ARG 37 -5.115 1.820 1.059 164 HA ARG 37 HA ARG 37 -7.134 3.626 1.797 165 HB2 ARG 37 HB2 ARG 37 -5.095 4.010 0.282 166 HB3 ARG 37 HB1 ARG 37 -6.068 3.323 -1.009 167 HG2 ARG 37 HG2 ARG 37 -6.991 5.678 0.608 168 HG3 ARG 37 HG1 ARG 37 -5.987 5.853 -0.826 169 HD2 ARG 37 HD2 ARG 37 -8.617 4.395 -0.822 170 HD3 ARG 37 HD1 ARG 37 -8.472 6.115 -1.173 171 HE ARG 37 HE ARG 37 -6.767 5.126 -2.939 172 HH11 ARG 37 HH11 ARG 37 -9.980 4.025 -2.082 173 HH12 ARG 37 HH12 ARG 37 -10.328 3.406 -3.666 174 HH21 ARG 37 HH21 ARG 37 -7.232 4.330 -5.032 175 HH22 ARG 37 HH22 ARG 37 -8.764 3.579 -5.344 176 H ARG 38 HN ARG 38 -7.031 1.405 -0.961 177 HA ARG 38 HA ARG 38 -9.856 1.660 -1.480 178 HB2 ARG 38 HB2 ARG 38 -8.099 1.264 -3.229 179 HB3 ARG 38 HB1 ARG 38 -7.881 -0.349 -2.572 180 HG2 ARG 38 HG2 ARG 38 -10.311 -0.764 -3.084 181 HG3 ARG 38 HG1 ARG 38 -10.292 0.761 -3.977 182 HD2 ARG 38 HD2 ARG 38 -8.418 -0.101 -5.338 183 HD3 ARG 38 HD1 ARG 38 -8.541 -1.638 -4.490 184 HE ARG 38 HE ARG 38 -10.719 -0.541 -6.150 185 HH11 ARG 38 HH11 ARG 38 -8.792 -3.233 -4.990 186 HH12 ARG 38 HH12 ARG 38 -9.496 -4.370 -6.097 187 HH21 ARG 38 HH21 ARG 38 -11.642 -2.037 -7.601 188 HH22 ARG 38 HH22 ARG 38 -11.115 -3.690 -7.587 189 H TYR 39 HN TYR 39 -8.238 0.188 0.892 190 HA TYR 39 HA TYR 39 -8.659 -1.420 2.407 191 HB2 TYR 39 HB2 TYR 39 -11.249 -1.790 0.917 192 HB3 TYR 39 HB1 TYR 39 -10.847 -2.606 2.424 193 HD1 TYR 39 HD1 TYR 39 -10.448 -1.205 4.487 194 HD2 TYR 39 HD2 TYR 39 -12.113 0.407 0.923 195 HE1 TYR 39 HE1 TYR 39 -11.308 0.711 5.763 196 HE2 TYR 39 HE2 TYR 39 -12.977 2.328 2.187 197 HH TYR 39 HH TYR 39 -11.967 3.094 5.288 198 H THR 40 HN THR 40 -9.883 -2.656 -0.631 199 HA THR 40 HA THR 40 -7.614 -4.391 -0.943 200 HB THR 40 HB THR 40 -10.353 -5.661 -0.658 201 HG1 THR 40 HG1 THR 40 -8.424 -5.116 1.167 202 HG21 THR 40 HG21 THR 40 -9.142 -7.781 -0.928 203 HG22 THR 40 HG22 THR 40 -7.644 -6.890 -1.192 204 HG23 THR 40 HG23 THR 40 -8.965 -6.754 -2.350 Start of MODEL 2 1 H1 CYS 9 HT1 CYS 9 3.691 -7.898 -4.998 2 H2 CYS 9 HT2 CYS 9 2.487 -8.164 -6.152 3 H3 CYS 9 HT3 CYS 9 2.489 -9.049 -4.713 4 HA CYS 9 HA CYS 9 2.112 -6.134 -4.926 5 HB2 CYS 9 HB2 CYS 9 0.183 -8.401 -4.676 6 HB3 CYS 9 HB1 CYS 9 -0.224 -6.817 -4.030 7 H GLY 10 HN GLY 10 0.701 -5.629 -2.781 8 HA2 GLY 10 HA2 GLY 10 2.117 -6.726 -0.487 9 HA3 GLY 10 HA1 GLY 10 2.310 -5.009 -0.846 10 H GLY 11 HN GLY 11 0.845 -6.837 1.233 11 HA2 GLY 11 HA2 GLY 11 -1.844 -5.781 1.068 12 HA3 GLY 11 HA1 GLY 11 -1.207 -6.821 2.331 13 H ALA 12 HN ALA 12 -2.699 -4.969 3.323 14 HA ALA 12 HA ALA 12 -1.536 -2.462 3.834 15 HB1 ALA 12 HB1 ALA 12 -3.425 -4.060 5.566 16 HB2 ALA 12 HB2 ALA 12 -3.887 -2.939 4.286 17 HB3 ALA 12 HB3 ALA 12 -3.076 -2.338 5.731 18 H GLY 13 HN GLY 13 0.285 -2.031 4.911 19 HA2 GLY 13 HA2 GLY 13 1.546 -2.112 6.956 20 HA3 GLY 13 HA1 GLY 13 1.053 -3.785 7.148 21 H ALA 14 HN ALA 14 1.674 -3.738 4.017 22 HA ALA 14 HA ALA 14 4.206 -5.033 4.320 23 HB1 ALA 14 HB1 ALA 14 2.545 -5.696 2.617 24 HB2 ALA 14 HB2 ALA 14 4.131 -5.351 1.925 25 HB3 ALA 14 HB3 ALA 14 2.829 -4.170 1.779 26 H LYS 15 HN LYS 15 6.230 -4.300 3.909 27 HA LYS 15 HA LYS 15 6.678 -1.485 3.840 28 HB2 LYS 15 HB2 LYS 15 9.056 -2.053 3.724 29 HB3 LYS 15 HB1 LYS 15 8.245 -2.992 4.969 30 HG2 LYS 15 HG2 LYS 15 8.206 -4.934 3.518 31 HG3 LYS 15 HG1 LYS 15 8.939 -3.997 2.214 32 HD2 LYS 15 HD2 LYS 15 10.920 -3.625 3.615 33 HD3 LYS 15 HD1 LYS 15 10.188 -4.596 4.893 34 HE2 LYS 15 HE2 LYS 15 10.192 -6.544 3.451 35 HE3 LYS 15 HE1 LYS 15 10.834 -5.584 2.118 36 HZ1 LYS 15 HZ1 LYS 15 12.829 -5.181 3.435 37 HZ2 LYS 15 HZ2 LYS 15 12.580 -6.835 3.193 38 HZ3 LYS 15 HZ3 LYS 15 12.214 -6.137 4.688 39 H CYS 16 HN CYS 16 7.337 -0.192 2.184 40 HA CYS 16 HA CYS 16 7.657 -1.292 -0.485 41 HB2 CYS 16 HB2 CYS 16 5.795 0.252 -1.313 42 HB3 CYS 16 HB1 CYS 16 5.287 -1.191 -0.442 43 H SER 17 HN SER 17 8.904 -0.009 -1.743 44 HA SER 17 HA SER 17 9.575 2.666 -0.755 45 HB2 SER 17 HB2 SER 17 10.837 1.045 -2.988 46 HB3 SER 17 HB1 SER 17 11.428 2.588 -2.367 47 HG SER 17 HG SER 17 11.538 0.039 -1.235 48 H THR 18 HN THR 18 7.915 0.923 -3.188 49 HA THR 18 HA THR 18 6.972 3.440 -4.373 50 HB THR 18 HB THR 18 6.575 1.981 -6.472 51 HG1 THR 18 HG1 THR 18 7.993 0.277 -4.865 52 HG21 THR 18 HG21 THR 18 8.163 3.840 -6.417 53 HG22 THR 18 HG22 THR 18 8.820 2.488 -7.340 54 HG23 THR 18 HG23 THR 18 9.384 2.788 -5.697 55 H LYS 19 HN LYS 19 4.751 3.373 -5.106 56 HA LYS 19 HA LYS 19 3.165 1.597 -3.457 57 HB2 LYS 19 HB2 LYS 19 1.258 2.933 -4.142 58 HB3 LYS 19 HB1 LYS 19 2.550 3.948 -3.535 59 HG2 LYS 19 HG2 LYS 19 3.161 4.545 -5.815 60 HG3 LYS 19 HG1 LYS 19 1.883 3.497 -6.436 61 HD2 LYS 19 HD2 LYS 19 0.200 4.855 -5.327 62 HD3 LYS 19 HD1 LYS 19 1.456 5.876 -4.625 63 HE2 LYS 19 HE2 LYS 19 2.143 6.578 -6.853 64 HE3 LYS 19 HE1 LYS 19 0.921 5.533 -7.573 65 HZ1 LYS 19 HZ1 LYS 19 0.393 7.855 -5.800 66 HZ2 LYS 19 HZ2 LYS 19 -0.785 6.846 -6.472 67 HZ3 LYS 19 HZ3 LYS 19 0.171 7.815 -7.477 68 H SER 20 HN SER 20 4.264 1.717 -6.674 69 HA SER 20 HA SER 20 2.261 0.040 -7.826 70 HB2 SER 20 HB2 SER 20 5.139 0.471 -8.669 71 HB3 SER 20 HB1 SER 20 3.872 -0.258 -9.657 72 HG SER 20 HG SER 20 2.878 2.013 -8.870 73 H ASP 21 HN ASP 21 4.535 -0.487 -5.472 74 HA ASP 21 HA ASP 21 5.347 -3.153 -6.047 75 HB2 ASP 21 HB2 ASP 21 6.499 -1.595 -4.442 76 HB3 ASP 21 HB1 ASP 21 5.147 -1.811 -3.336 77 H CYS 22 HN CYS 22 2.728 -1.683 -4.227 78 HA CYS 22 HA CYS 22 1.644 -4.295 -3.547 79 HB2 CYS 22 HB2 CYS 22 0.780 -1.506 -2.764 80 HB3 CYS 22 HB1 CYS 22 0.019 -2.987 -2.193 81 H CYS 23 HN CYS 23 -0.856 -4.421 -3.756 82 HA CYS 23 HA CYS 23 -1.361 -4.262 -6.584 83 HB2 CYS 23 HB2 CYS 23 -2.555 -5.627 -4.261 84 HB3 CYS 23 HB1 CYS 23 -3.701 -5.162 -5.512 85 H SER 24 HN SER 24 -3.179 -3.295 -7.549 86 HA SER 24 HA SER 24 -3.547 -0.615 -6.928 87 HB2 SER 24 HB2 SER 24 -3.936 -1.612 -9.160 88 HB3 SER 24 HB1 SER 24 -5.383 -2.404 -8.540 89 HG SER 24 HG SER 24 -6.191 -0.605 -9.373 90 H GLY 25 HN GLY 25 -4.496 0.228 -5.236 91 HA2 GLY 25 HA2 GLY 25 -6.757 0.600 -4.218 92 HA3 GLY 25 HA1 GLY 25 -6.823 -1.152 -4.046 93 H LEU 26 HN LEU 26 -3.993 -1.333 -3.451 94 HA LEU 26 HA LEU 26 -3.952 -0.209 -0.731 95 HB2 LEU 26 HB2 LEU 26 -2.475 -2.581 -1.881 96 HB3 LEU 26 HB1 LEU 26 -2.305 -1.981 -0.242 97 HG LEU 26 HG LEU 26 -4.975 -2.883 -1.283 98 HD11 LEU 26 HD11 LEU 26 -3.498 -4.746 -1.670 99 HD12 LEU 26 HD12 LEU 26 -4.504 -5.078 -0.259 100 HD13 LEU 26 HD13 LEU 26 -2.824 -4.586 -0.051 101 HD21 LEU 26 HD21 LEU 26 -4.936 -1.600 0.788 102 HD22 LEU 26 HD22 LEU 26 -3.763 -2.723 1.474 103 HD23 LEU 26 HD23 LEU 26 -5.394 -3.274 1.097 104 H TRP 27 HN TRP 27 -2.701 1.533 -0.604 105 HA TRP 27 HA TRP 27 -0.566 1.810 -2.609 106 HB2 TRP 27 HB2 TRP 27 -2.238 3.988 -1.340 107 HB3 TRP 27 HB1 TRP 27 -0.934 4.245 -2.494 108 HD1 TRP 27 HD1 TRP 27 -4.483 4.308 -2.502 109 HE1 TRP 27 HE1 TRP 27 -5.503 3.715 -4.786 110 HE3 TRP 27 HE3 TRP 27 -0.389 2.150 -4.675 111 HZ2 TRP 27 HZ2 TRP 27 -4.676 2.492 -7.188 112 HZ3 TRP 27 HZ3 TRP 27 -0.588 1.296 -6.968 113 HH2 TRP 27 HH2 TRP 27 -2.689 1.460 -8.199 114 H CYS 28 HN CYS 28 1.273 3.067 -2.004 115 HA CYS 28 HA CYS 28 2.200 2.279 0.612 116 HB2 CYS 28 HB2 CYS 28 3.502 2.043 -1.560 117 HB3 CYS 28 HB1 CYS 28 3.719 3.789 -1.517 118 H SER 29 HN SER 29 3.083 3.698 2.169 119 HA SER 29 HA SER 29 1.730 6.246 2.295 120 HB2 SER 29 HB2 SER 29 2.745 6.314 4.593 121 HB3 SER 29 HB1 SER 29 1.752 4.891 4.286 122 HG SER 29 HG SER 29 4.338 5.018 4.979 123 H GLY 30 HN GLY 30 3.606 6.246 0.227 124 HA2 GLY 30 HA2 GLY 30 5.271 7.589 -0.621 125 HA3 GLY 30 HA1 GLY 30 5.226 8.493 0.888 126 H SER 31 HN SER 31 6.337 5.410 -0.459 127 HA SER 31 HA SER 31 8.110 4.076 -0.020 128 HB2 SER 31 HB2 SER 31 9.414 6.644 0.917 129 HB3 SER 31 HB1 SER 31 10.248 5.154 0.478 130 HG SER 31 HG SER 31 9.601 5.422 -1.637 131 H GLY 32 HN GLY 32 6.395 3.520 1.749 132 HA2 GLY 32 HA2 GLY 32 7.895 3.242 4.233 133 HA3 GLY 32 HA1 GLY 32 6.333 4.042 4.341 134 H HIS 33 HN HIS 33 4.516 2.855 4.393 135 HA HIS 33 HA HIS 33 4.693 -0.008 3.756 136 HB2 HIS 33 HB2 HIS 33 3.562 1.181 6.298 137 HB3 HIS 33 HB1 HIS 33 3.223 -0.460 5.768 138 HD1 HIS 33 HD1 HIS 33 4.806 -2.210 6.560 139 HD2 HIS 33 HD2 HIS 33 6.422 1.614 6.821 140 HE1 HIS 33 HE1 HIS 33 7.014 -2.482 7.730 141 HE2 HIS 33 HE2 HIS 33 7.873 -0.138 8.044 142 H CYS 34 HN CYS 34 2.962 -0.758 2.662 143 HA CYS 34 HA CYS 34 1.027 1.056 1.663 144 HB2 CYS 34 HB2 CYS 34 1.198 -1.957 1.580 145 HB3 CYS 34 HB1 CYS 34 -0.063 -1.039 0.764 146 H TYR 35 HN TYR 35 -1.282 0.956 1.959 147 HA TYR 35 HA TYR 35 -2.200 -0.250 4.446 148 HB2 TYR 35 HB2 TYR 35 -3.148 1.920 5.223 149 HB3 TYR 35 HB1 TYR 35 -1.390 1.903 5.204 150 HD1 TYR 35 HD1 TYR 35 -0.156 3.198 3.505 151 HD2 TYR 35 HD2 TYR 35 -4.397 3.385 3.791 152 HE1 TYR 35 HE1 TYR 35 -0.155 5.231 2.125 153 HE2 TYR 35 HE2 TYR 35 -4.404 5.417 2.412 154 HH TYR 35 HH TYR 35 -2.856 7.242 1.814 155 H HIS 36 HN HIS 36 -4.591 0.199 4.734 156 HA HIS 36 HA HIS 36 -5.936 -0.602 2.356 157 HB2 HIS 36 HB2 HIS 36 -6.972 0.170 5.092 158 HB3 HIS 36 HB1 HIS 36 -8.009 -0.393 3.792 159 HD1 HIS 36 HD1 HIS 36 -6.539 -1.610 6.720 160 HD2 HIS 36 HD2 HIS 36 -6.865 -3.116 2.860 161 HE1 HIS 36 HE1 HIS 36 -6.260 -4.097 6.939 162 HE2 HIS 36 HE2 HIS 36 -6.597 -4.996 4.613 163 H ARG 37 HN ARG 37 -5.455 1.247 0.979 164 HA ARG 37 HA ARG 37 -6.532 3.826 1.716 165 HB2 ARG 37 HB2 ARG 37 -4.415 3.324 0.300 166 HB3 ARG 37 HB1 ARG 37 -5.542 3.081 -1.024 167 HG2 ARG 37 HG2 ARG 37 -5.415 5.616 0.586 168 HG3 ARG 37 HG1 ARG 37 -4.480 5.353 -0.881 169 HD2 ARG 37 HD2 ARG 37 -6.716 4.849 -2.002 170 HD3 ARG 37 HD1 ARG 37 -7.461 5.544 -0.564 171 HE ARG 37 HE ARG 37 -5.461 7.197 -1.853 172 HH11 ARG 37 HH11 ARG 37 -8.866 6.457 -1.514 173 HH12 ARG 37 HH12 ARG 37 -9.387 7.944 -2.237 174 HH21 ARG 37 HH21 ARG 37 -6.139 9.144 -2.805 175 HH22 ARG 37 HH22 ARG 37 -7.833 9.479 -2.963 176 H ARG 38 HN ARG 38 -7.070 1.677 -1.074 177 HA ARG 38 HA ARG 38 -9.853 2.637 -1.143 178 HB2 ARG 38 HB2 ARG 38 -8.487 3.014 -3.194 179 HB3 ARG 38 HB1 ARG 38 -8.309 1.275 -3.351 180 HG2 ARG 38 HG2 ARG 38 -10.703 1.025 -3.634 181 HG3 ARG 38 HG1 ARG 38 -10.925 2.762 -3.410 182 HD2 ARG 38 HD2 ARG 38 -9.516 3.159 -5.401 183 HD3 ARG 38 HD1 ARG 38 -9.405 1.416 -5.639 184 HE ARG 38 HE ARG 38 -12.094 1.966 -5.537 185 HH11 ARG 38 HH11 ARG 38 -9.396 2.977 -7.513 186 HH12 ARG 38 HH12 ARG 38 -10.367 3.259 -8.921 187 HH21 ARG 38 HH21 ARG 38 -13.381 2.339 -7.378 188 HH22 ARG 38 HH22 ARG 38 -12.636 2.891 -8.843 189 H TYR 39 HN TYR 39 -7.811 -0.236 -1.225 190 HA TYR 39 HA TYR 39 -10.135 -1.969 -0.995 191 HB2 TYR 39 HB2 TYR 39 -8.235 -2.742 -2.353 192 HB3 TYR 39 HB1 TYR 39 -7.180 -2.637 -0.948 193 HD1 TYR 39 HD1 TYR 39 -10.322 -4.301 -2.088 194 HD2 TYR 39 HD2 TYR 39 -6.845 -4.538 0.354 195 HE1 TYR 39 HE1 TYR 39 -10.905 -6.613 -1.488 196 HE2 TYR 39 HE2 TYR 39 -7.418 -6.851 0.956 197 HH TYR 39 HH TYR 39 -9.711 -8.673 -0.690 198 H THR 40 HN THR 40 -11.084 -2.025 0.913 199 HA THR 40 HA THR 40 -9.428 -1.790 3.320 200 HB THR 40 HB THR 40 -11.671 -1.259 4.430 201 HG1 THR 40 HG1 THR 40 -12.758 -2.007 2.335 202 HG21 THR 40 HG21 THR 40 -10.001 0.457 4.010 203 HG22 THR 40 HG22 THR 40 -11.612 1.089 3.674 204 HG23 THR 40 HG23 THR 40 -10.555 0.618 2.343 Start of MODEL 3 1 H1 CYS 9 HT1 CYS 9 1.701 -9.932 -4.032 2 H2 CYS 9 HT2 CYS 9 3.238 -9.464 -4.549 3 H3 CYS 9 HT3 CYS 9 1.930 -9.392 -5.618 4 HA CYS 9 HA CYS 9 2.569 -7.215 -4.777 5 HB2 CYS 9 HB2 CYS 9 -0.128 -8.342 -4.145 6 HB3 CYS 9 HB1 CYS 9 0.234 -6.657 -3.813 7 H GLY 10 HN GLY 10 2.473 -5.721 -3.014 8 HA2 GLY 10 HA2 GLY 10 3.388 -6.633 -0.523 9 HA3 GLY 10 HA1 GLY 10 2.779 -5.018 -0.876 10 H GLY 11 HN GLY 11 0.974 -4.415 0.083 11 HA2 GLY 11 HA2 GLY 11 -1.427 -5.343 0.424 12 HA3 GLY 11 HA1 GLY 11 -0.592 -6.448 1.504 13 H ALA 12 HN ALA 12 -2.230 -5.315 2.992 14 HA ALA 12 HA ALA 12 -1.647 -2.619 3.747 15 HB1 ALA 12 HB1 ALA 12 -3.886 -3.582 4.032 16 HB2 ALA 12 HB2 ALA 12 -3.241 -2.979 5.555 17 HB3 ALA 12 HB3 ALA 12 -3.246 -4.710 5.226 18 H GLY 13 HN GLY 13 0.053 -1.990 4.860 19 HA2 GLY 13 HA2 GLY 13 1.478 -1.915 6.716 20 HA3 GLY 13 HA1 GLY 13 0.949 -3.529 7.164 21 H ALA 14 HN ALA 14 1.720 -3.351 3.896 22 HA ALA 14 HA ALA 14 4.144 -4.885 4.349 23 HB1 ALA 14 HB1 ALA 14 2.524 -5.643 2.674 24 HB2 ALA 14 HB2 ALA 14 4.092 -5.294 1.946 25 HB3 ALA 14 HB3 ALA 14 2.763 -4.148 1.770 26 H LYS 15 HN LYS 15 6.198 -4.255 3.776 27 HA LYS 15 HA LYS 15 6.714 -1.458 3.722 28 HB2 LYS 15 HB2 LYS 15 9.086 -2.119 3.436 29 HB3 LYS 15 HB1 LYS 15 8.301 -2.917 4.788 30 HG2 LYS 15 HG2 LYS 15 8.126 -4.960 3.582 31 HG3 LYS 15 HG1 LYS 15 8.654 -4.186 2.091 32 HD2 LYS 15 HD2 LYS 15 10.551 -5.302 2.848 33 HD3 LYS 15 HD1 LYS 15 10.800 -3.637 3.362 34 HE2 LYS 15 HE2 LYS 15 9.664 -5.785 5.143 35 HE3 LYS 15 HE1 LYS 15 11.377 -5.395 5.064 36 HZ1 LYS 15 HZ1 LYS 15 10.737 -3.079 5.693 37 HZ2 LYS 15 HZ2 LYS 15 10.476 -4.238 6.892 38 HZ3 LYS 15 HZ3 LYS 15 9.172 -3.648 5.996 39 H CYS 16 HN CYS 16 7.343 -0.149 2.077 40 HA CYS 16 HA CYS 16 7.396 -1.214 -0.640 41 HB2 CYS 16 HB2 CYS 16 5.652 0.453 -1.331 42 HB3 CYS 16 HB1 CYS 16 5.041 -0.839 -0.298 43 H SER 17 HN SER 17 8.236 0.237 -2.179 44 HA SER 17 HA SER 17 9.414 2.704 -1.083 45 HB2 SER 17 HB2 SER 17 10.301 1.146 -3.527 46 HB3 SER 17 HB1 SER 17 11.111 2.544 -2.819 47 HG SER 17 HG SER 17 10.693 0.053 -1.513 48 H THR 18 HN THR 18 7.515 1.211 -3.578 49 HA THR 18 HA THR 18 6.452 3.854 -4.307 50 HB THR 18 HB THR 18 6.079 2.955 -6.625 51 HG1 THR 18 HG1 THR 18 7.372 0.763 -5.459 52 HG21 THR 18 HG21 THR 18 8.971 3.099 -5.757 53 HG22 THR 18 HG22 THR 18 7.949 4.474 -6.169 54 HG23 THR 18 HG23 THR 18 8.376 3.292 -7.405 55 H LYS 19 HN LYS 19 4.209 3.439 -5.498 56 HA LYS 19 HA LYS 19 2.634 1.784 -3.771 57 HB2 LYS 19 HB2 LYS 19 0.728 2.452 -5.119 58 HB3 LYS 19 HB1 LYS 19 1.723 3.854 -4.755 59 HG2 LYS 19 HG2 LYS 19 2.652 3.830 -6.976 60 HG3 LYS 19 HG1 LYS 19 1.786 2.341 -7.356 61 HD2 LYS 19 HD2 LYS 19 -0.346 3.523 -7.011 62 HD3 LYS 19 HD1 LYS 19 0.546 5.011 -6.697 63 HE2 LYS 19 HE2 LYS 19 0.614 3.429 -9.264 64 HE3 LYS 19 HE1 LYS 19 -0.315 4.901 -8.995 65 HZ1 LYS 19 HZ1 LYS 19 1.795 6.058 -8.565 66 HZ2 LYS 19 HZ2 LYS 19 1.706 5.430 -10.129 67 HZ3 LYS 19 HZ3 LYS 19 2.639 4.648 -8.959 68 H SER 20 HN SER 20 4.323 1.317 -6.695 69 HA SER 20 HA SER 20 2.798 -0.781 -7.821 70 HB2 SER 20 HB2 SER 20 5.751 -0.243 -8.184 71 HB3 SER 20 HB1 SER 20 4.680 -1.094 -9.296 72 HG SER 20 HG SER 20 3.477 0.934 -9.417 73 H ASP 21 HN ASP 21 4.929 -0.662 -5.148 74 HA ASP 21 HA ASP 21 5.779 -3.384 -5.169 75 HB2 ASP 21 HB2 ASP 21 5.571 -1.384 -2.904 76 HB3 ASP 21 HB1 ASP 21 6.290 -2.981 -2.744 77 H CYS 22 HN CYS 22 2.804 -1.927 -4.651 78 HA CYS 22 HA CYS 22 1.784 -4.345 -3.345 79 HB2 CYS 22 HB2 CYS 22 1.106 -1.490 -2.661 80 HB3 CYS 22 HB1 CYS 22 0.165 -2.868 -2.112 81 H CYS 23 HN CYS 23 -0.506 -4.736 -3.727 82 HA CYS 23 HA CYS 23 -1.162 -4.399 -6.474 83 HB2 CYS 23 HB2 CYS 23 -2.297 -5.818 -4.144 84 HB3 CYS 23 HB1 CYS 23 -3.456 -5.354 -5.382 85 H SER 24 HN SER 24 -3.125 -3.488 -7.296 86 HA SER 24 HA SER 24 -3.441 -0.800 -6.640 87 HB2 SER 24 HB2 SER 24 -5.347 -2.574 -8.180 88 HB3 SER 24 HB1 SER 24 -5.278 -0.815 -8.252 89 HG SER 24 HG SER 24 -3.477 -2.722 -9.267 90 H GLY 25 HN GLY 25 -4.144 -0.182 -4.709 91 HA2 GLY 25 HA2 GLY 25 -6.532 0.124 -3.703 92 HA3 GLY 25 HA1 GLY 25 -6.357 -1.608 -3.424 93 H LEU 26 HN LEU 26 -3.551 -1.535 -2.950 94 HA LEU 26 HA LEU 26 -3.471 -0.212 -0.334 95 HB2 LEU 26 HB2 LEU 26 -1.586 -2.259 -1.513 96 HB3 LEU 26 HB1 LEU 26 -1.461 -1.572 0.088 97 HG LEU 26 HG LEU 26 -2.377 -3.617 0.539 98 HD11 LEU 26 HD11 LEU 26 -4.702 -3.337 1.130 99 HD12 LEU 26 HD12 LEU 26 -4.816 -1.926 0.080 100 HD13 LEU 26 HD13 LEU 26 -3.779 -1.884 1.507 101 HD21 LEU 26 HD21 LEU 26 -2.639 -4.380 -1.731 102 HD22 LEU 26 HD22 LEU 26 -4.071 -3.371 -1.936 103 HD23 LEU 26 HD23 LEU 26 -4.100 -4.725 -0.805 104 H TRP 27 HN TRP 27 -2.570 1.722 -0.301 105 HA TRP 27 HA TRP 27 -0.664 2.417 -2.422 106 HB2 TRP 27 HB2 TRP 27 -2.599 4.047 -0.806 107 HB3 TRP 27 HB1 TRP 27 -1.223 4.815 -1.595 108 HD1 TRP 27 HD1 TRP 27 -4.224 2.552 -2.588 109 HE1 TRP 27 HE1 TRP 27 -4.932 3.192 -4.978 110 HE3 TRP 27 HE3 TRP 27 -0.635 6.051 -3.584 111 HZ2 TRP 27 HZ2 TRP 27 -4.075 4.946 -7.017 112 HZ3 TRP 27 HZ3 TRP 27 -0.649 7.163 -5.777 113 HH2 TRP 27 HH2 TRP 27 -2.335 6.622 -7.457 114 H CYS 28 HN CYS 28 1.266 3.440 -1.953 115 HA CYS 28 HA CYS 28 2.411 2.517 0.522 116 HB2 CYS 28 HB2 CYS 28 3.546 2.333 -1.709 117 HB3 CYS 28 HB1 CYS 28 3.727 4.084 -1.703 118 H SER 29 HN SER 29 2.296 3.676 2.312 119 HA SER 29 HA SER 29 1.958 6.548 2.258 120 HB2 SER 29 HB2 SER 29 0.790 5.145 3.941 121 HB3 SER 29 HB1 SER 29 2.351 4.662 4.604 122 HG SER 29 HG SER 29 1.459 6.372 5.798 123 H GLY 30 HN GLY 30 3.412 7.931 3.589 124 HA2 GLY 30 HA2 GLY 30 6.057 7.746 2.608 125 HA3 GLY 30 HA1 GLY 30 5.469 8.920 3.770 126 H SER 31 HN SER 31 4.677 6.173 5.211 127 HA SER 31 HA SER 31 7.032 6.117 6.880 128 HB2 SER 31 HB2 SER 31 5.686 4.412 8.157 129 HB3 SER 31 HB1 SER 31 4.890 5.977 7.977 130 HG SER 31 HG SER 31 3.377 4.471 7.445 131 H GLY 32 HN GLY 32 6.215 4.720 4.002 132 HA2 GLY 32 HA2 GLY 32 7.421 3.138 2.797 133 HA3 GLY 32 HA1 GLY 32 8.268 2.695 4.273 134 H HIS 33 HN HIS 33 4.819 2.857 4.282 135 HA HIS 33 HA HIS 33 4.617 -0.062 3.996 136 HB2 HIS 33 HB2 HIS 33 3.381 1.582 6.226 137 HB3 HIS 33 HB1 HIS 33 3.009 -0.107 5.903 138 HD1 HIS 33 HD1 HIS 33 5.046 1.905 8.008 139 HD2 HIS 33 HD2 HIS 33 5.550 -1.737 6.068 140 HE1 HIS 33 HE1 HIS 33 6.945 0.766 9.192 141 HE2 HIS 33 HE2 HIS 33 7.355 -1.340 7.877 142 H CYS 34 HN CYS 34 2.864 -0.716 2.861 143 HA CYS 34 HA CYS 34 1.181 1.252 1.612 144 HB2 CYS 34 HB2 CYS 34 1.038 -1.771 1.563 145 HB3 CYS 34 HB1 CYS 34 0.101 -0.695 0.543 146 H TYR 35 HN TYR 35 -0.956 1.713 2.022 147 HA TYR 35 HA TYR 35 -2.235 0.184 4.189 148 HB2 TYR 35 HB2 TYR 35 -3.332 2.197 4.993 149 HB3 TYR 35 HB1 TYR 35 -1.591 2.431 4.989 150 HD1 TYR 35 HD1 TYR 35 -4.765 3.621 3.783 151 HD2 TYR 35 HD2 TYR 35 -0.562 3.845 3.168 152 HE1 TYR 35 HE1 TYR 35 -5.067 5.702 2.516 153 HE2 TYR 35 HE2 TYR 35 -0.852 5.930 1.896 154 HH TYR 35 HH TYR 35 -3.771 7.678 1.892 155 H HIS 36 HN HIS 36 -4.597 0.182 4.108 156 HA HIS 36 HA HIS 36 -5.385 -0.555 1.438 157 HB2 HIS 36 HB2 HIS 36 -5.888 -1.778 3.665 158 HB3 HIS 36 HB1 HIS 36 -7.164 -0.587 3.869 159 HD1 HIS 36 HD1 HIS 36 -6.456 -3.809 2.355 160 HD2 HIS 36 HD2 HIS 36 -9.158 -0.714 1.710 161 HE1 HIS 36 HE1 HIS 36 -8.295 -4.794 0.960 162 HE2 HIS 36 HE2 HIS 36 -9.831 -2.867 0.447 163 H ARG 37 HN ARG 37 -5.216 1.747 0.675 164 HA ARG 37 HA ARG 37 -6.932 3.755 1.670 165 HB2 ARG 37 HB2 ARG 37 -4.869 4.125 0.253 166 HB3 ARG 37 HB1 ARG 37 -5.839 3.651 -1.139 167 HG2 ARG 37 HG2 ARG 37 -7.440 5.468 -0.541 168 HG3 ARG 37 HG1 ARG 37 -6.289 6.002 0.682 169 HD2 ARG 37 HD2 ARG 37 -5.849 7.363 -1.168 170 HD3 ARG 37 HD1 ARG 37 -4.594 6.126 -1.226 171 HE ARG 37 HE ARG 37 -6.633 5.154 -2.784 172 HH11 ARG 37 HH11 ARG 37 -4.638 8.025 -2.774 173 HH12 ARG 37 HH12 ARG 37 -4.734 8.253 -4.491 174 HH21 ARG 37 HH21 ARG 37 -6.795 5.472 -5.042 175 HH22 ARG 37 HH22 ARG 37 -5.958 6.801 -5.780 176 H ARG 38 HN ARG 38 -7.392 1.227 -0.669 177 HA ARG 38 HA ARG 38 -9.544 2.035 -2.142 178 HB2 ARG 38 HB2 ARG 38 -8.496 -0.150 -2.424 179 HB3 ARG 38 HB1 ARG 38 -9.140 -0.677 -0.881 180 HG2 ARG 38 HG2 ARG 38 -10.490 -1.623 -2.586 181 HG3 ARG 38 HG1 ARG 38 -11.431 -0.355 -1.798 182 HD2 ARG 38 HD2 ARG 38 -11.772 -0.110 -4.130 183 HD3 ARG 38 HD1 ARG 38 -10.685 1.184 -3.631 184 HE ARG 38 HE ARG 38 -9.415 -1.224 -4.624 185 HH11 ARG 38 HH11 ARG 38 -10.602 1.979 -5.389 186 HH12 ARG 38 HH12 ARG 38 -9.626 2.137 -6.814 187 HH21 ARG 38 HH21 ARG 38 -8.140 -1.026 -6.486 188 HH22 ARG 38 HH22 ARG 38 -8.208 0.428 -7.431 189 H TYR 39 HN TYR 39 -9.577 0.996 1.230 190 HA TYR 39 HA TYR 39 -12.184 2.194 1.572 191 HB2 TYR 39 HB2 TYR 39 -12.656 -0.157 0.854 192 HB3 TYR 39 HB1 TYR 39 -11.781 -0.722 2.271 193 HD1 TYR 39 HD1 TYR 39 -12.973 -1.165 4.210 194 HD2 TYR 39 HD2 TYR 39 -14.624 1.508 1.346 195 HE1 TYR 39 HE1 TYR 39 -15.042 -1.039 5.531 196 HE2 TYR 39 HE2 TYR 39 -16.697 1.647 2.659 197 HH TYR 39 HH TYR 39 -16.942 0.549 5.839 198 H THR 40 HN THR 40 -10.838 3.592 2.832 199 HA THR 40 HA THR 40 -10.566 2.600 5.563 200 HB THR 40 HB THR 40 -8.453 4.274 5.539 201 HG1 THR 40 HG1 THR 40 -8.116 2.891 3.094 202 HG21 THR 40 HG21 THR 40 -8.446 1.998 6.430 203 HG22 THR 40 HG22 THR 40 -7.019 2.281 5.435 204 HG23 THR 40 HG23 THR 40 -8.368 1.346 4.794 Start of MODEL 4 1 H1 CYS 9 HT1 CYS 9 1.745 -9.389 -6.255 2 H2 CYS 9 HT2 CYS 9 0.974 -9.706 -4.784 3 H3 CYS 9 HT3 CYS 9 2.641 -9.932 -4.928 4 HA CYS 9 HA CYS 9 2.990 -7.591 -5.239 5 HB2 CYS 9 HB2 CYS 9 1.173 -6.014 -5.104 6 HB3 CYS 9 HB1 CYS 9 0.759 -7.205 -6.331 7 H GLY 10 HN GLY 10 2.674 -5.927 -3.412 8 HA2 GLY 10 HA2 GLY 10 3.126 -7.142 -0.905 9 HA3 GLY 10 HA1 GLY 10 2.871 -5.429 -1.213 10 H GLY 11 HN GLY 11 1.501 -4.927 0.408 11 HA2 GLY 11 HA2 GLY 11 -1.215 -5.353 0.161 12 HA3 GLY 11 HA1 GLY 11 -0.632 -6.582 1.273 13 H ALA 12 HN ALA 12 -2.148 -5.373 2.720 14 HA ALA 12 HA ALA 12 -1.512 -2.694 3.470 15 HB1 ALA 12 HB1 ALA 12 -3.254 -4.707 4.888 16 HB2 ALA 12 HB2 ALA 12 -3.788 -3.596 3.626 17 HB3 ALA 12 HB3 ALA 12 -3.222 -2.967 5.172 18 H GLY 13 HN GLY 13 0.076 -2.065 4.727 19 HA2 GLY 13 HA2 GLY 13 1.300 -1.999 6.735 20 HA3 GLY 13 HA1 GLY 13 0.831 -3.660 7.056 21 H ALA 14 HN ALA 14 1.743 -3.656 3.927 22 HA ALA 14 HA ALA 14 4.275 -4.902 4.567 23 HB1 ALA 14 HB1 ALA 14 4.350 -5.471 2.190 24 HB2 ALA 14 HB2 ALA 14 2.932 -4.463 1.900 25 HB3 ALA 14 HB3 ALA 14 2.796 -5.909 2.900 26 H LYS 15 HN LYS 15 6.300 -4.225 3.832 27 HA LYS 15 HA LYS 15 6.712 -1.415 3.771 28 HB2 LYS 15 HB2 LYS 15 9.080 -1.990 3.346 29 HB3 LYS 15 HB1 LYS 15 8.408 -2.903 4.688 30 HG2 LYS 15 HG2 LYS 15 8.154 -4.853 3.272 31 HG3 LYS 15 HG1 LYS 15 8.749 -3.942 1.883 32 HD2 LYS 15 HD2 LYS 15 10.905 -3.664 2.957 33 HD3 LYS 15 HD1 LYS 15 10.314 -4.481 4.404 34 HE2 LYS 15 HE2 LYS 15 11.663 -5.981 3.033 35 HE3 LYS 15 HE1 LYS 15 9.992 -6.532 3.129 36 HZ1 LYS 15 HZ1 LYS 15 9.593 -5.579 0.941 37 HZ2 LYS 15 HZ2 LYS 15 10.847 -6.709 0.882 38 HZ3 LYS 15 HZ3 LYS 15 11.202 -5.056 0.851 39 H CYS 16 HN CYS 16 7.422 -0.102 2.073 40 HA CYS 16 HA CYS 16 7.369 -1.161 -0.634 41 HB2 CYS 16 HB2 CYS 16 5.645 0.519 -1.326 42 HB3 CYS 16 HB1 CYS 16 5.020 -0.742 -0.266 43 H SER 17 HN SER 17 8.127 0.352 -2.209 44 HA SER 17 HA SER 17 9.290 2.827 -1.102 45 HB2 SER 17 HB2 SER 17 10.157 1.330 -3.592 46 HB3 SER 17 HB1 SER 17 10.943 2.742 -2.885 47 HG SER 17 HG SER 17 10.591 0.326 -1.454 48 H THR 18 HN THR 18 7.197 1.307 -3.298 49 HA THR 18 HA THR 18 6.064 3.869 -4.106 50 HB THR 18 HB THR 18 5.736 2.849 -6.440 51 HG1 THR 18 HG1 THR 18 7.160 0.879 -5.228 52 HG21 THR 18 HG21 THR 18 8.543 3.581 -5.595 53 HG22 THR 18 HG22 THR 18 7.269 4.718 -6.032 54 HG23 THR 18 HG23 THR 18 7.918 3.615 -7.244 55 H LYS 19 HN LYS 19 3.803 3.466 -5.062 56 HA LYS 19 HA LYS 19 2.414 1.567 -3.456 57 HB2 LYS 19 HB2 LYS 19 0.410 2.230 -4.648 58 HB3 LYS 19 HB1 LYS 19 1.350 3.653 -4.236 59 HG2 LYS 19 HG2 LYS 19 2.120 3.887 -6.483 60 HG3 LYS 19 HG1 LYS 19 1.413 2.335 -6.936 61 HD2 LYS 19 HD2 LYS 19 -0.822 3.229 -6.465 62 HD3 LYS 19 HD1 LYS 19 -0.105 4.784 -6.040 63 HE2 LYS 19 HE2 LYS 19 0.772 5.011 -8.300 64 HE3 LYS 19 HE1 LYS 19 0.106 3.437 -8.727 65 HZ1 LYS 19 HZ1 LYS 19 -2.110 4.306 -8.328 66 HZ2 LYS 19 HZ2 LYS 19 -1.309 5.233 -9.490 67 HZ3 LYS 19 HZ3 LYS 19 -1.472 5.815 -7.912 68 H SER 20 HN SER 20 3.965 1.438 -6.489 69 HA SER 20 HA SER 20 2.507 -0.670 -7.686 70 HB2 SER 20 HB2 SER 20 5.372 0.150 -8.195 71 HB3 SER 20 HB1 SER 20 4.312 -0.735 -9.294 72 HG SER 20 HG SER 20 4.605 1.740 -9.415 73 H ASP 21 HN ASP 21 4.689 -0.643 -5.086 74 HA ASP 21 HA ASP 21 5.721 -3.292 -5.388 75 HB2 ASP 21 HB2 ASP 21 5.433 -1.529 -2.943 76 HB3 ASP 21 HB1 ASP 21 6.228 -3.098 -2.931 77 H CYS 22 HN CYS 22 2.744 -1.935 -4.438 78 HA CYS 22 HA CYS 22 1.803 -4.558 -3.503 79 HB2 CYS 22 HB2 CYS 22 0.963 -1.837 -2.497 80 HB3 CYS 22 HB1 CYS 22 0.261 -3.365 -1.984 81 H CYS 23 HN CYS 23 -0.700 -4.666 -3.699 82 HA CYS 23 HA CYS 23 -1.346 -4.124 -6.429 83 HB2 CYS 23 HB2 CYS 23 -2.891 -5.318 -4.137 84 HB3 CYS 23 HB1 CYS 23 -3.635 -5.027 -5.704 85 H SER 24 HN SER 24 -3.413 -3.069 -7.029 86 HA SER 24 HA SER 24 -3.001 -0.369 -6.707 87 HB2 SER 24 HB2 SER 24 -5.567 -1.681 -7.603 88 HB3 SER 24 HB1 SER 24 -5.015 -0.057 -8.010 89 HG SER 24 HG SER 24 -4.250 -2.507 -9.037 90 H GLY 25 HN GLY 25 -5.013 -2.426 -4.739 91 HA2 GLY 25 HA2 GLY 25 -6.677 -0.320 -3.729 92 HA3 GLY 25 HA1 GLY 25 -6.548 -1.947 -3.081 93 H LEU 26 HN LEU 26 -3.484 -1.259 -3.103 94 HA LEU 26 HA LEU 26 -3.555 -0.019 -0.433 95 HB2 LEU 26 HB2 LEU 26 -1.425 -1.832 -1.579 96 HB3 LEU 26 HB1 LEU 26 -1.459 -1.166 0.034 97 HG LEU 26 HG LEU 26 -2.081 -3.380 0.328 98 HD11 LEU 26 HD11 LEU 26 -4.411 -3.364 1.010 99 HD12 LEU 26 HD12 LEU 26 -4.668 -1.868 0.112 100 HD13 LEU 26 HD13 LEU 26 -3.579 -1.888 1.500 101 HD21 LEU 26 HD21 LEU 26 -3.741 -4.561 -1.016 102 HD22 LEU 26 HD22 LEU 26 -2.391 -3.986 -1.995 103 HD23 LEU 26 HD23 LEU 26 -3.933 -3.130 -2.031 104 H TRP 27 HN TRP 27 -2.682 1.932 -0.264 105 HA TRP 27 HA TRP 27 -0.918 2.903 -2.399 106 HB2 TRP 27 HB2 TRP 27 -2.482 4.334 -0.244 107 HB3 TRP 27 HB1 TRP 27 -1.296 5.145 -1.257 108 HD1 TRP 27 HD1 TRP 27 -3.507 2.572 -2.966 109 HE1 TRP 27 HE1 TRP 27 -5.188 3.791 -4.488 110 HE3 TRP 27 HE3 TRP 27 -2.638 7.377 -1.449 111 HZ2 TRP 27 HZ2 TRP 27 -6.033 6.440 -4.975 112 HZ3 TRP 27 HZ3 TRP 27 -3.925 9.194 -2.492 113 HH2 TRP 27 HH2 TRP 27 -5.587 8.734 -4.220 114 H CYS 28 HN CYS 28 1.128 3.765 -1.913 115 HA CYS 28 HA CYS 28 2.286 2.667 0.527 116 HB2 CYS 28 HB2 CYS 28 3.407 2.262 -1.638 117 HB3 CYS 28 HB1 CYS 28 3.611 3.996 -1.849 118 H SER 29 HN SER 29 3.000 3.883 2.210 119 HA SER 29 HA SER 29 2.309 6.664 2.297 120 HB2 SER 29 HB2 SER 29 3.396 6.536 4.584 121 HB3 SER 29 HB1 SER 29 2.056 5.421 4.324 122 HG SER 29 HG SER 29 4.129 4.616 5.305 123 H GLY 30 HN GLY 30 3.787 6.861 0.267 124 HA2 GLY 30 HA2 GLY 30 5.601 8.052 -0.552 125 HA3 GLY 30 HA1 GLY 30 6.228 8.168 1.087 126 H SER 31 HN SER 31 7.124 6.161 2.010 127 HA SER 31 HA SER 31 7.868 4.034 0.235 128 HB2 SER 31 HB2 SER 31 9.557 5.784 -0.300 129 HB3 SER 31 HB1 SER 31 10.068 5.771 1.386 130 HG SER 31 HG SER 31 10.294 3.354 0.896 131 H GLY 32 HN GLY 32 6.340 4.215 2.581 132 HA2 GLY 32 HA2 GLY 32 8.092 2.945 4.587 133 HA3 GLY 32 HA1 GLY 32 6.629 3.837 4.977 134 H HIS 33 HN HIS 33 4.583 2.914 4.395 135 HA HIS 33 HA HIS 33 4.657 0.001 3.962 136 HB2 HIS 33 HB2 HIS 33 3.056 1.441 6.096 137 HB3 HIS 33 HB1 HIS 33 2.853 -0.254 5.670 138 HD1 HIS 33 HD1 HIS 33 4.392 1.744 8.126 139 HD2 HIS 33 HD2 HIS 33 5.566 -1.632 6.002 140 HE1 HIS 33 HE1 HIS 33 6.227 0.695 9.487 141 HE2 HIS 33 HE2 HIS 33 7.004 -1.280 8.124 142 H CYS 34 HN CYS 34 2.926 -0.829 2.848 143 HA CYS 34 HA CYS 34 1.270 1.001 1.372 144 HB2 CYS 34 HB2 CYS 34 1.280 -2.018 1.543 145 HB3 CYS 34 HB1 CYS 34 0.287 -1.092 0.437 146 H TYR 35 HN TYR 35 -0.545 1.867 2.188 147 HA TYR 35 HA TYR 35 -1.965 0.362 4.275 148 HB2 TYR 35 HB2 TYR 35 -3.013 2.501 4.907 149 HB3 TYR 35 HB1 TYR 35 -1.261 2.571 5.008 150 HD1 TYR 35 HD1 TYR 35 -4.228 3.781 3.229 151 HD2 TYR 35 HD2 TYR 35 0.011 3.998 3.514 152 HE1 TYR 35 HE1 TYR 35 -4.246 5.822 1.861 153 HE2 TYR 35 HE2 TYR 35 0.004 6.038 2.141 154 HH TYR 35 HH TYR 35 -1.359 7.207 0.572 155 H HIS 36 HN HIS 36 -4.207 0.071 4.168 156 HA HIS 36 HA HIS 36 -5.110 -0.349 1.492 157 HB2 HIS 36 HB2 HIS 36 -7.116 -1.348 2.479 158 HB3 HIS 36 HB1 HIS 36 -5.654 -1.991 3.201 159 HD1 HIS 36 HD1 HIS 36 -8.367 -2.281 4.590 160 HD2 HIS 36 HD2 HIS 36 -5.706 0.826 5.350 161 HE1 HIS 36 HE1 HIS 36 -8.932 -1.449 6.894 162 HE2 HIS 36 HE2 HIS 36 -7.267 0.381 7.363 163 H ARG 37 HN ARG 37 -5.449 1.470 0.392 164 HA ARG 37 HA ARG 37 -7.102 3.581 1.526 165 HB2 ARG 37 HB2 ARG 37 -5.080 4.174 0.255 166 HB3 ARG 37 HB1 ARG 37 -5.742 3.380 -1.165 167 HG2 ARG 37 HG2 ARG 37 -6.007 5.766 -1.355 168 HG3 ARG 37 HG1 ARG 37 -7.589 5.001 -1.192 169 HD2 ARG 37 HD2 ARG 37 -7.715 5.637 1.126 170 HD3 ARG 37 HD1 ARG 37 -6.063 6.251 1.090 171 HE ARG 37 HE ARG 37 -7.497 7.620 -0.859 172 HH11 ARG 37 HH11 ARG 37 -7.528 7.288 2.631 173 HH12 ARG 37 HH12 ARG 37 -8.143 8.888 2.896 174 HH21 ARG 37 HH21 ARG 37 -8.296 9.708 -0.513 175 HH22 ARG 37 HH22 ARG 37 -8.577 10.269 1.107 176 H ARG 38 HN ARG 38 -7.118 1.345 -1.213 177 HA ARG 38 HA ARG 38 -10.041 1.683 -1.340 178 HB2 ARG 38 HB2 ARG 38 -8.088 1.202 -3.584 179 HB3 ARG 38 HB1 ARG 38 -9.824 1.001 -3.760 180 HG2 ARG 38 HG2 ARG 38 -8.534 3.574 -2.889 181 HG3 ARG 38 HG1 ARG 38 -8.902 3.183 -4.567 182 HD2 ARG 38 HD2 ARG 38 -10.696 4.509 -3.752 183 HD3 ARG 38 HD1 ARG 38 -11.289 2.855 -3.871 184 HE ARG 38 HE ARG 38 -10.288 3.529 -1.257 185 HH11 ARG 38 HH11 ARG 38 -13.077 3.651 -3.371 186 HH12 ARG 38 HH12 ARG 38 -14.220 3.751 -2.072 187 HH21 ARG 38 HH21 ARG 38 -11.791 3.663 0.456 188 HH22 ARG 38 HH22 ARG 38 -13.489 3.742 0.105 189 H TYR 39 HN TYR 39 -8.395 -0.108 0.231 190 HA TYR 39 HA TYR 39 -9.656 -2.611 -0.630 191 HB2 TYR 39 HB2 TYR 39 -7.117 -2.523 -1.049 192 HB3 TYR 39 HB1 TYR 39 -6.943 -2.535 0.701 193 HD1 TYR 39 HD1 TYR 39 -6.937 -4.571 1.870 194 HD2 TYR 39 HD2 TYR 39 -8.388 -4.471 -2.129 195 HE1 TYR 39 HE1 TYR 39 -7.063 -7.025 1.860 196 HE2 TYR 39 HE2 TYR 39 -8.518 -6.928 -2.147 197 HH TYR 39 HH TYR 39 -8.321 -8.804 0.647 198 H THR 40 HN THR 40 -10.840 -0.833 1.004 199 HA THR 40 HA THR 40 -10.297 -1.675 3.751 200 HB THR 40 HB THR 40 -11.959 0.198 4.286 201 HG1 THR 40 HG1 THR 40 -12.740 0.339 2.078 202 HG21 THR 40 HG21 THR 40 -9.374 0.931 2.908 203 HG22 THR 40 HG22 THR 40 -9.524 0.399 4.583 204 HG23 THR 40 HG23 THR 40 -10.251 1.922 4.075 Start of MODEL 5 1 H1 CYS 9 HT1 CYS 9 2.594 -8.890 -4.719 2 H2 CYS 9 HT2 CYS 9 1.259 -8.761 -5.747 3 H3 CYS 9 HT3 CYS 9 1.077 -9.417 -4.200 4 HA CYS 9 HA CYS 9 1.869 -6.639 -4.783 5 HB2 CYS 9 HB2 CYS 9 -0.762 -7.840 -3.989 6 HB3 CYS 9 HB1 CYS 9 -0.397 -6.141 -3.745 7 H GLY 10 HN GLY 10 2.418 -5.424 -3.072 8 HA2 GLY 10 HA2 GLY 10 3.578 -6.338 -0.823 9 HA3 GLY 10 HA1 GLY 10 2.801 -4.763 -0.919 10 H GLY 11 HN GLY 11 0.638 -4.550 -0.189 11 HA2 GLY 11 HA2 GLY 11 -1.318 -5.822 0.752 12 HA3 GLY 11 HA1 GLY 11 -0.121 -6.637 1.752 13 H ALA 12 HN ALA 12 -2.138 -5.446 3.046 14 HA ALA 12 HA ALA 12 -1.595 -2.727 3.730 15 HB1 ALA 12 HB1 ALA 12 -3.267 -4.774 5.189 16 HB2 ALA 12 HB2 ALA 12 -3.841 -3.679 3.931 17 HB3 ALA 12 HB3 ALA 12 -3.276 -3.034 5.473 18 H GLY 13 HN GLY 13 0.238 -2.198 4.706 19 HA2 GLY 13 HA2 GLY 13 1.498 -2.014 6.712 20 HA3 GLY 13 HA1 GLY 13 0.991 -3.637 7.150 21 H ALA 14 HN ALA 14 1.872 -3.457 3.906 22 HA ALA 14 HA ALA 14 4.377 -4.847 4.461 23 HB1 ALA 14 HB1 ALA 14 3.034 -4.302 1.819 24 HB2 ALA 14 HB2 ALA 14 2.785 -5.745 2.802 25 HB3 ALA 14 HB3 ALA 14 4.375 -5.411 2.116 26 H LYS 15 HN LYS 15 6.366 -4.021 4.102 27 HA LYS 15 HA LYS 15 6.661 -1.224 3.787 28 HB2 LYS 15 HB2 LYS 15 9.070 -1.649 3.743 29 HB3 LYS 15 HB1 LYS 15 8.275 -2.477 5.073 30 HG2 LYS 15 HG2 LYS 15 8.495 -4.571 4.046 31 HG3 LYS 15 HG1 LYS 15 8.896 -3.851 2.483 32 HD2 LYS 15 HD2 LYS 15 10.892 -4.738 3.572 33 HD3 LYS 15 HD1 LYS 15 10.975 -2.983 3.410 34 HE2 LYS 15 HE2 LYS 15 10.220 -2.767 5.748 35 HE3 LYS 15 HE1 LYS 15 10.245 -4.522 5.897 36 HZ1 LYS 15 HZ1 LYS 15 12.597 -2.824 5.270 37 HZ2 LYS 15 HZ2 LYS 15 12.608 -4.500 5.478 38 HZ3 LYS 15 HZ3 LYS 15 12.250 -3.490 6.783 39 H CYS 16 HN CYS 16 7.409 -0.023 2.081 40 HA CYS 16 HA CYS 16 7.533 -1.329 -0.535 41 HB2 CYS 16 HB2 CYS 16 5.876 0.532 -1.288 42 HB3 CYS 16 HB1 CYS 16 5.237 -0.900 -0.483 43 H SER 17 HN SER 17 8.458 -0.052 -2.168 44 HA SER 17 HA SER 17 9.837 2.378 -1.245 45 HB2 SER 17 HB2 SER 17 10.373 0.735 -3.740 46 HB3 SER 17 HB1 SER 17 11.373 2.037 -3.096 47 HG SER 17 HG SER 17 10.884 -0.510 -1.930 48 H THR 18 HN THR 18 7.609 1.000 -3.492 49 HA THR 18 HA THR 18 6.734 3.690 -4.297 50 HB THR 18 HB THR 18 6.150 2.741 -6.537 51 HG1 THR 18 HG1 THR 18 7.262 0.458 -5.346 52 HG21 THR 18 HG21 THR 18 8.420 2.735 -7.457 53 HG22 THR 18 HG22 THR 18 9.079 2.557 -5.831 54 HG23 THR 18 HG23 THR 18 8.212 4.026 -6.274 55 H LYS 19 HN LYS 19 4.409 3.671 -4.966 56 HA LYS 19 HA LYS 19 2.834 1.955 -3.309 57 HB2 LYS 19 HB2 LYS 19 0.893 3.020 -4.393 58 HB3 LYS 19 HB1 LYS 19 2.048 4.194 -3.776 59 HG2 LYS 19 HG2 LYS 19 2.968 4.363 -6.107 60 HG3 LYS 19 HG1 LYS 19 1.592 3.392 -6.635 61 HD2 LYS 19 HD2 LYS 19 0.053 5.069 -5.784 62 HD3 LYS 19 HD1 LYS 19 1.405 6.025 -5.172 63 HE2 LYS 19 HE2 LYS 19 2.240 6.264 -7.482 64 HE3 LYS 19 HE1 LYS 19 0.830 5.379 -8.061 65 HZ1 LYS 19 HZ1 LYS 19 0.531 7.767 -8.260 66 HZ2 LYS 19 HZ2 LYS 19 0.757 7.960 -6.595 67 HZ3 LYS 19 HZ3 LYS 19 -0.586 7.112 -7.173 68 H SER 20 HN SER 20 4.221 1.654 -6.362 69 HA SER 20 HA SER 20 2.348 -0.152 -7.532 70 HB2 SER 20 HB2 SER 20 5.268 0.246 -8.203 71 HB3 SER 20 HB1 SER 20 4.044 -0.498 -9.233 72 HG SER 20 HG SER 20 4.679 1.909 -9.419 73 H ASP 21 HN ASP 21 4.744 -0.472 -5.113 74 HA ASP 21 HA ASP 21 5.435 -3.195 -5.475 75 HB2 ASP 21 HB2 ASP 21 5.376 -1.443 -3.014 76 HB3 ASP 21 HB1 ASP 21 5.890 -3.123 -2.961 77 H CYS 22 HN CYS 22 2.600 -1.623 -4.444 78 HA CYS 22 HA CYS 22 1.485 -4.160 -3.467 79 HB2 CYS 22 HB2 CYS 22 0.825 -1.335 -2.627 80 HB3 CYS 22 HB1 CYS 22 -0.071 -2.760 -2.104 81 H CYS 23 HN CYS 23 -0.908 -4.302 -3.760 82 HA CYS 23 HA CYS 23 -1.609 -3.968 -6.471 83 HB2 CYS 23 HB2 CYS 23 -2.920 -4.958 -4.001 84 HB3 CYS 23 HB1 CYS 23 -3.987 -4.467 -5.303 85 H SER 24 HN SER 24 -3.598 -2.840 -7.213 86 HA SER 24 HA SER 24 -3.223 -0.069 -6.808 87 HB2 SER 24 HB2 SER 24 -5.451 -1.520 -8.255 88 HB3 SER 24 HB1 SER 24 -5.092 0.201 -8.394 89 HG SER 24 HG SER 24 -3.165 -1.804 -8.963 90 H GLY 25 HN GLY 25 -5.273 -2.341 -5.237 91 HA2 GLY 25 HA2 GLY 25 -7.196 -0.429 -4.281 92 HA3 GLY 25 HA1 GLY 25 -6.977 -2.072 -3.698 93 H LEU 26 HN LEU 26 -4.003 -0.962 -3.602 94 HA LEU 26 HA LEU 26 -4.227 0.283 -0.939 95 HB2 LEU 26 HB2 LEU 26 -2.027 -1.581 -1.827 96 HB3 LEU 26 HB1 LEU 26 -2.313 -0.967 -0.214 97 HG LEU 26 HG LEU 26 -4.322 -2.733 -1.573 98 HD11 LEU 26 HD11 LEU 26 -3.267 -4.622 -0.360 99 HD12 LEU 26 HD12 LEU 26 -1.894 -3.572 -0.003 100 HD13 LEU 26 HD13 LEU 26 -2.290 -3.976 -1.677 101 HD21 LEU 26 HD21 LEU 26 -3.690 -2.091 1.305 102 HD22 LEU 26 HD22 LEU 26 -4.864 -3.298 0.780 103 HD23 LEU 26 HD23 LEU 26 -5.115 -1.599 0.388 104 H TRP 27 HN TRP 27 -2.013 1.353 -0.402 105 HA TRP 27 HA TRP 27 -0.342 2.041 -2.610 106 HB2 TRP 27 HB2 TRP 27 -0.686 4.465 -2.558 107 HB3 TRP 27 HB1 TRP 27 -2.142 3.622 -3.057 108 HD1 TRP 27 HD1 TRP 27 -3.091 2.976 0.048 109 HE1 TRP 27 HE1 TRP 27 -4.157 4.919 1.359 110 HE3 TRP 27 HE3 TRP 27 -1.271 6.886 -2.686 111 HZ2 TRP 27 HZ2 TRP 27 -4.212 7.736 1.246 112 HZ3 TRP 27 HZ3 TRP 27 -1.878 9.174 -2.021 113 HH2 TRP 27 HH2 TRP 27 -3.319 9.587 -0.096 114 H CYS 28 HN CYS 28 1.444 3.463 -1.948 115 HA CYS 28 HA CYS 28 2.357 2.460 0.618 116 HB2 CYS 28 HB2 CYS 28 3.681 2.189 -1.490 117 HB3 CYS 28 HB1 CYS 28 3.894 3.933 -1.526 118 H SER 29 HN SER 29 3.148 3.733 2.279 119 HA SER 29 HA SER 29 2.201 6.441 2.420 120 HB2 SER 29 HB2 SER 29 3.287 6.380 4.686 121 HB3 SER 29 HB1 SER 29 2.112 5.092 4.421 122 HG SER 29 HG SER 29 4.706 4.897 5.044 123 H GLY 30 HN GLY 30 3.603 6.811 0.375 124 HA2 GLY 30 HA2 GLY 30 5.349 8.085 -0.475 125 HA3 GLY 30 HA1 GLY 30 6.039 8.167 1.143 126 H SER 31 HN SER 31 7.164 6.299 1.944 127 HA SER 31 HA SER 31 7.813 4.170 0.103 128 HB2 SER 31 HB2 SER 31 9.452 5.914 -0.506 129 HB3 SER 31 HB1 SER 31 9.997 5.984 1.168 130 HG SER 31 HG SER 31 10.344 3.584 0.805 131 H GLY 32 HN GLY 32 6.409 4.331 2.556 132 HA2 GLY 32 HA2 GLY 32 8.273 3.058 4.449 133 HA3 GLY 32 HA1 GLY 32 6.765 3.841 4.898 134 H HIS 33 HN HIS 33 4.774 2.803 4.366 135 HA HIS 33 HA HIS 33 4.882 0.039 3.526 136 HB2 HIS 33 HB2 HIS 33 3.395 -0.504 5.648 137 HB3 HIS 33 HB1 HIS 33 5.151 -0.598 5.709 138 HD1 HIS 33 HD1 HIS 33 2.265 1.404 6.993 139 HD2 HIS 33 HD2 HIS 33 6.403 1.311 7.274 140 HE1 HIS 33 HE1 HIS 33 2.845 2.930 8.905 141 HE2 HIS 33 HE2 HIS 33 5.345 2.730 9.161 142 H CYS 34 HN CYS 34 3.014 -0.707 2.696 143 HA CYS 34 HA CYS 34 1.197 1.241 1.724 144 HB2 CYS 34 HB2 CYS 34 1.105 -1.775 1.634 145 HB3 CYS 34 HB1 CYS 34 0.015 -0.720 0.746 146 H TYR 35 HN TYR 35 -0.867 1.717 2.266 147 HA TYR 35 HA TYR 35 -2.128 0.098 4.354 148 HB2 TYR 35 HB2 TYR 35 -3.120 2.193 5.312 149 HB3 TYR 35 HB1 TYR 35 -1.392 2.019 5.554 150 HD1 TYR 35 HD1 TYR 35 -4.011 4.116 4.337 151 HD2 TYR 35 HD2 TYR 35 0.166 3.364 4.018 152 HE1 TYR 35 HE1 TYR 35 -3.670 6.388 3.465 153 HE2 TYR 35 HE2 TYR 35 0.509 5.628 3.138 154 HH TYR 35 HH TYR 35 -1.957 8.024 3.235 155 H HIS 36 HN HIS 36 -4.476 0.259 4.378 156 HA HIS 36 HA HIS 36 -5.356 -0.329 1.780 157 HB2 HIS 36 HB2 HIS 36 -7.642 -0.553 2.868 158 HB3 HIS 36 HB1 HIS 36 -6.361 -1.588 3.470 159 HD1 HIS 36 HD1 HIS 36 -6.774 -1.921 5.871 160 HD2 HIS 36 HD2 HIS 36 -7.463 2.020 4.739 161 HE1 HIS 36 HE1 HIS 36 -7.390 -0.706 7.982 162 HE2 HIS 36 HE2 HIS 36 -8.002 1.620 7.236 163 H ARG 37 HN ARG 37 -5.816 1.001 0.224 164 HA ARG 37 HA ARG 37 -6.903 3.638 0.800 165 HB2 ARG 37 HB2 ARG 37 -5.061 3.401 -0.839 166 HB3 ARG 37 HB1 ARG 37 -6.112 2.419 -1.849 167 HG2 ARG 37 HG2 ARG 37 -7.542 4.259 -2.296 168 HG3 ARG 37 HG1 ARG 37 -6.761 5.247 -1.061 169 HD2 ARG 37 HD2 ARG 37 -6.023 5.918 -3.272 170 HD3 ARG 37 HD1 ARG 37 -4.686 5.225 -2.360 171 HE ARG 37 HE ARG 37 -5.997 3.287 -3.993 172 HH11 ARG 37 HH11 ARG 37 -3.657 5.882 -4.043 173 HH12 ARG 37 HH12 ARG 37 -2.837 5.291 -5.451 174 HH21 ARG 37 HH21 ARG 37 -4.911 2.483 -5.836 175 HH22 ARG 37 HH22 ARG 37 -3.543 3.349 -6.464 176 H ARG 38 HN ARG 38 -7.698 0.869 -1.269 177 HA ARG 38 HA ARG 38 -10.486 1.809 -1.349 178 HB2 ARG 38 HB2 ARG 38 -8.967 -0.057 -3.176 179 HB3 ARG 38 HB1 ARG 38 -10.690 0.267 -3.313 180 HG2 ARG 38 HG2 ARG 38 -10.275 2.574 -3.815 181 HG3 ARG 38 HG1 ARG 38 -8.551 2.375 -3.503 182 HD2 ARG 38 HD2 ARG 38 -9.027 2.394 -5.898 183 HD3 ARG 38 HD1 ARG 38 -8.372 0.844 -5.385 184 HE ARG 38 HE ARG 38 -11.194 0.746 -5.346 185 HH11 ARG 38 HH11 ARG 38 -8.499 0.861 -7.576 186 HH12 ARG 38 HH12 ARG 38 -9.342 0.021 -8.838 187 HH21 ARG 38 HH21 ARG 38 -12.316 -0.363 -7.023 188 HH22 ARG 38 HH22 ARG 38 -11.510 -0.671 -8.529 189 H TYR 39 HN TYR 39 -8.555 -1.165 -1.076 190 HA TYR 39 HA TYR 39 -10.855 -2.652 -0.145 191 HB2 TYR 39 HB2 TYR 39 -7.981 -3.407 -0.664 192 HB3 TYR 39 HB1 TYR 39 -9.132 -4.526 0.060 193 HD1 TYR 39 HD1 TYR 39 -10.342 -5.923 -1.331 194 HD2 TYR 39 HD2 TYR 39 -8.772 -2.307 -2.925 195 HE1 TYR 39 HE1 TYR 39 -11.127 -6.573 -3.568 196 HE2 TYR 39 HE2 TYR 39 -9.551 -2.947 -5.165 197 HH TYR 39 HH TYR 39 -11.717 -5.524 -5.688 198 H THR 40 HN THR 40 -11.409 -1.774 1.792 199 HA THR 40 HA THR 40 -9.377 -1.531 3.871 200 HB THR 40 HB THR 40 -11.292 -0.417 5.129 201 HG1 THR 40 HG1 THR 40 -12.950 -1.345 3.752 202 HG21 THR 40 HG21 THR 40 -9.542 0.878 4.028 203 HG22 THR 40 HG22 THR 40 -11.105 1.675 3.844 204 HG23 THR 40 HG23 THR 40 -10.409 0.775 2.497 Start of MODEL 6 1 H1 CYS 9 HT1 CYS 9 3.409 -7.138 -6.045 2 H2 CYS 9 HT2 CYS 9 2.023 -7.431 -6.968 3 H3 CYS 9 HT3 CYS 9 2.525 -8.560 -5.816 4 HA CYS 9 HA CYS 9 1.625 -5.815 -5.231 5 HB2 CYS 9 HB2 CYS 9 0.209 -8.452 -5.120 6 HB3 CYS 9 HB1 CYS 9 -0.318 -7.083 -4.156 7 H GLY 10 HN GLY 10 0.556 -6.321 -2.775 8 HA2 GLY 10 HA2 GLY 10 2.681 -7.443 -1.118 9 HA3 GLY 10 HA1 GLY 10 2.426 -5.702 -1.023 10 H GLY 11 HN GLY 11 0.784 -4.912 0.176 11 HA2 GLY 11 HA2 GLY 11 -1.686 -5.740 0.690 12 HA3 GLY 11 HA1 GLY 11 -0.773 -6.815 1.736 13 H ALA 12 HN ALA 12 -2.441 -5.372 3.088 14 HA ALA 12 HA ALA 12 -1.630 -2.724 3.705 15 HB1 ALA 12 HB1 ALA 12 -3.356 -4.620 5.301 16 HB2 ALA 12 HB2 ALA 12 -3.921 -3.494 4.067 17 HB3 ALA 12 HB3 ALA 12 -3.215 -2.883 5.563 18 H GLY 13 HN GLY 13 0.188 -2.205 4.700 19 HA2 GLY 13 HA2 GLY 13 1.449 -2.136 6.744 20 HA3 GLY 13 HA1 GLY 13 1.057 -3.828 6.999 21 H ALA 14 HN ALA 14 1.656 -4.090 3.957 22 HA ALA 14 HA ALA 14 4.250 -5.157 4.259 23 HB1 ALA 14 HB1 ALA 14 2.666 -5.962 2.564 24 HB2 ALA 14 HB2 ALA 14 4.202 -5.489 1.841 25 HB3 ALA 14 HB3 ALA 14 2.803 -4.424 1.712 26 H LYS 15 HN LYS 15 6.223 -4.289 3.998 27 HA LYS 15 HA LYS 15 6.588 -1.503 3.877 28 HB2 LYS 15 HB2 LYS 15 8.993 -2.018 3.611 29 HB3 LYS 15 HB1 LYS 15 8.241 -2.875 4.948 30 HG2 LYS 15 HG2 LYS 15 8.144 -4.902 3.631 31 HG3 LYS 15 HG1 LYS 15 8.808 -4.051 2.236 32 HD2 LYS 15 HD2 LYS 15 10.225 -4.278 4.875 33 HD3 LYS 15 HD1 LYS 15 10.462 -5.414 3.547 34 HE2 LYS 15 HE2 LYS 15 11.124 -3.493 2.109 35 HE3 LYS 15 HE1 LYS 15 11.016 -2.450 3.525 36 HZ1 LYS 15 HZ1 LYS 15 12.744 -3.744 4.583 37 HZ2 LYS 15 HZ2 LYS 15 13.287 -3.169 3.089 38 HZ3 LYS 15 HZ3 LYS 15 12.827 -4.787 3.253 39 H CYS 16 HN CYS 16 6.991 -0.119 2.237 40 HA CYS 16 HA CYS 16 7.188 -1.211 -0.479 41 HB2 CYS 16 HB2 CYS 16 5.446 0.388 -1.230 42 HB3 CYS 16 HB1 CYS 16 4.819 -0.809 -0.102 43 H SER 17 HN SER 17 7.982 0.257 -2.040 44 HA SER 17 HA SER 17 9.174 2.728 -0.979 45 HB2 SER 17 HB2 SER 17 10.551 2.619 -3.130 46 HB3 SER 17 HB1 SER 17 10.905 1.385 -1.924 47 HG SER 17 HG SER 17 8.976 0.458 -3.518 48 H THR 18 HN THR 18 7.020 1.284 -3.227 49 HA THR 18 HA THR 18 5.790 3.865 -3.801 50 HB THR 18 HB THR 18 5.479 2.978 -6.230 51 HG1 THR 18 HG1 THR 18 7.149 1.129 -5.188 52 HG21 THR 18 HG21 THR 18 6.733 5.008 -5.698 53 HG22 THR 18 HG22 THR 18 7.533 4.095 -6.977 54 HG23 THR 18 HG23 THR 18 8.161 4.040 -5.331 55 H LYS 19 HN LYS 19 3.559 3.437 -4.842 56 HA LYS 19 HA LYS 19 2.251 1.396 -3.365 57 HB2 LYS 19 HB2 LYS 19 0.229 2.015 -4.623 58 HB3 LYS 19 HB1 LYS 19 1.051 3.417 -3.955 59 HG2 LYS 19 HG2 LYS 19 1.993 3.927 -6.137 60 HG3 LYS 19 HG1 LYS 19 1.222 2.491 -6.815 61 HD2 LYS 19 HD2 LYS 19 -0.971 3.398 -6.296 62 HD3 LYS 19 HD1 LYS 19 -0.229 4.810 -5.547 63 HE2 LYS 19 HE2 LYS 19 0.729 5.465 -7.678 64 HE3 LYS 19 HE1 LYS 19 0.072 4.017 -8.439 65 HZ1 LYS 19 HZ1 LYS 19 -1.285 5.991 -8.856 66 HZ2 LYS 19 HZ2 LYS 19 -1.550 6.169 -7.198 67 HZ3 LYS 19 HZ3 LYS 19 -2.146 4.808 -8.009 68 H SER 20 HN SER 20 3.911 1.399 -6.314 69 HA SER 20 HA SER 20 2.598 -0.749 -7.623 70 HB2 SER 20 HB2 SER 20 5.485 0.092 -7.922 71 HB3 SER 20 HB1 SER 20 4.481 -0.736 -9.113 72 HG SER 20 HG SER 20 3.091 1.250 -8.873 73 H ASP 21 HN ASP 21 4.568 -0.613 -4.871 74 HA ASP 21 HA ASP 21 5.749 -3.211 -5.052 75 HB2 ASP 21 HB2 ASP 21 5.286 -1.320 -2.743 76 HB3 ASP 21 HB1 ASP 21 5.997 -2.912 -2.519 77 H CYS 22 HN CYS 22 2.632 -2.035 -4.396 78 HA CYS 22 HA CYS 22 1.787 -4.697 -3.497 79 HB2 CYS 22 HB2 CYS 22 0.825 -2.042 -2.421 80 HB3 CYS 22 HB1 CYS 22 0.087 -3.595 -2.046 81 H CYS 23 HN CYS 23 -0.905 -4.548 -3.610 82 HA CYS 23 HA CYS 23 -1.402 -4.291 -6.418 83 HB2 CYS 23 HB2 CYS 23 -3.072 -5.081 -4.065 84 HB3 CYS 23 HB1 CYS 23 -3.862 -4.681 -5.582 85 H SER 24 HN SER 24 -3.704 -3.191 -6.941 86 HA SER 24 HA SER 24 -3.172 -0.410 -6.763 87 HB2 SER 24 HB2 SER 24 -4.326 -1.425 -8.694 88 HB3 SER 24 HB1 SER 24 -5.708 -1.794 -7.668 89 HG SER 24 HG SER 24 -4.994 0.825 -7.492 90 H GLY 25 HN GLY 25 -5.116 -2.578 -4.857 91 HA2 GLY 25 HA2 GLY 25 -6.723 -0.577 -3.602 92 HA3 GLY 25 HA1 GLY 25 -6.490 -2.225 -3.042 93 H LEU 26 HN LEU 26 -3.465 -1.376 -3.308 94 HA LEU 26 HA LEU 26 -3.347 -0.224 -0.601 95 HB2 LEU 26 HB2 LEU 26 -1.493 -2.185 -1.943 96 HB3 LEU 26 HB1 LEU 26 -1.106 -1.352 -0.467 97 HG LEU 26 HG LEU 26 -1.774 -3.500 0.189 98 HD11 LEU 26 HD11 LEU 26 -3.743 -3.158 1.523 99 HD12 LEU 26 HD12 LEU 26 -4.215 -1.784 0.526 100 HD13 LEU 26 HD13 LEU 26 -2.760 -1.691 1.521 101 HD21 LEU 26 HD21 LEU 26 -2.821 -4.145 -1.946 102 HD22 LEU 26 HD22 LEU 26 -4.261 -3.237 -1.484 103 HD23 LEU 26 HD23 LEU 26 -3.755 -4.636 -0.534 104 H TRP 27 HN TRP 27 -2.482 1.729 -0.504 105 HA TRP 27 HA TRP 27 -0.669 2.581 -2.656 106 HB2 TRP 27 HB2 TRP 27 -2.414 4.151 -0.756 107 HB3 TRP 27 HB1 TRP 27 -1.143 4.907 -1.707 108 HD1 TRP 27 HD1 TRP 27 -3.068 2.172 -3.464 109 HE1 TRP 27 HE1 TRP 27 -4.620 3.215 -5.229 110 HE3 TRP 27 HE3 TRP 27 -2.584 7.086 -2.149 111 HZ2 TRP 27 HZ2 TRP 27 -5.530 5.790 -5.957 112 HZ3 TRP 27 HZ3 TRP 27 -3.831 8.777 -3.428 113 HH2 TRP 27 HH2 TRP 27 -5.273 8.141 -5.294 114 H CYS 28 HN CYS 28 1.209 3.873 -1.988 115 HA CYS 28 HA CYS 28 2.345 2.659 0.417 116 HB2 CYS 28 HB2 CYS 28 3.514 2.481 -1.794 117 HB3 CYS 28 HB1 CYS 28 3.764 4.219 -1.747 118 H SER 29 HN SER 29 3.060 3.805 2.138 119 HA SER 29 HA SER 29 2.136 6.567 2.276 120 HB2 SER 29 HB2 SER 29 2.490 6.225 4.755 121 HB3 SER 29 HB1 SER 29 1.285 5.169 4.017 122 HG SER 29 HG SER 29 2.470 3.501 4.486 123 H GLY 30 HN GLY 30 3.566 7.826 4.063 124 HA2 GLY 30 HA2 GLY 30 5.994 8.434 2.735 125 HA3 GLY 30 HA1 GLY 30 5.483 9.069 4.292 126 H SER 31 HN SER 31 5.288 6.671 5.725 127 HA SER 31 HA SER 31 8.042 6.293 6.384 128 HB2 SER 31 HB2 SER 31 5.628 4.787 7.406 129 HB3 SER 31 HB1 SER 31 7.221 4.850 8.159 130 HG SER 31 HG SER 31 5.230 6.819 8.008 131 H GLY 32 HN GLY 32 5.853 4.721 4.277 132 HA2 GLY 32 HA2 GLY 32 6.698 3.340 2.544 133 HA3 GLY 32 HA1 GLY 32 8.002 2.849 3.610 134 H HIS 33 HN HIS 33 4.528 2.842 4.321 135 HA HIS 33 HA HIS 33 4.571 -0.098 4.108 136 HB2 HIS 33 HB2 HIS 33 3.218 1.530 6.272 137 HB3 HIS 33 HB1 HIS 33 2.954 -0.191 6.016 138 HD1 HIS 33 HD1 HIS 33 4.937 2.080 7.951 139 HD2 HIS 33 HD2 HIS 33 5.523 -1.693 6.312 140 HE1 HIS 33 HE1 HIS 33 6.873 1.088 9.214 141 HE2 HIS 33 HE2 HIS 33 7.073 -1.266 8.338 142 H CYS 34 HN CYS 34 3.064 -0.860 2.790 143 HA CYS 34 HA CYS 34 1.267 0.774 1.385 144 HB2 CYS 34 HB2 CYS 34 1.339 -2.213 1.817 145 HB3 CYS 34 HB1 CYS 34 0.204 -1.425 0.739 146 H TYR 35 HN TYR 35 -0.686 1.546 1.888 147 HA TYR 35 HA TYR 35 -2.113 0.291 4.139 148 HB2 TYR 35 HB2 TYR 35 -3.032 2.474 4.731 149 HB3 TYR 35 HB1 TYR 35 -1.275 2.522 4.762 150 HD1 TYR 35 HD1 TYR 35 -4.286 3.850 3.242 151 HD2 TYR 35 HD2 TYR 35 -0.042 3.712 2.961 152 HE1 TYR 35 HE1 TYR 35 -4.323 5.817 1.770 153 HE2 TYR 35 HE2 TYR 35 -0.072 5.679 1.486 154 HH TYR 35 HH TYR 35 -2.748 7.662 1.124 155 H HIS 36 HN HIS 36 -4.412 0.275 3.999 156 HA HIS 36 HA HIS 36 -5.188 -0.336 1.307 157 HB2 HIS 36 HB2 HIS 36 -7.296 -1.153 2.299 158 HB3 HIS 36 HB1 HIS 36 -5.867 -1.873 3.015 159 HD1 HIS 36 HD1 HIS 36 -7.999 -2.378 4.761 160 HD2 HIS 36 HD2 HIS 36 -6.265 1.404 4.790 161 HE1 HIS 36 HE1 HIS 36 -8.660 -1.341 6.958 162 HE2 HIS 36 HE2 HIS 36 -7.672 0.973 6.917 163 H ARG 37 HN ARG 37 -4.936 1.881 0.572 164 HA ARG 37 HA ARG 37 -6.494 4.041 1.333 165 HB2 ARG 37 HB2 ARG 37 -4.635 4.331 -0.158 166 HB3 ARG 37 HB1 ARG 37 -5.376 3.292 -1.366 167 HG2 ARG 37 HG2 ARG 37 -5.596 5.554 -2.079 168 HG3 ARG 37 HG1 ARG 37 -7.192 4.964 -1.615 169 HD2 ARG 37 HD2 ARG 37 -6.914 6.064 0.581 170 HD3 ARG 37 HD1 ARG 37 -5.374 6.719 0.030 171 HE ARG 37 HE ARG 37 -7.983 7.373 -1.187 172 HH11 ARG 37 HH11 ARG 37 -4.735 8.286 -0.235 173 HH12 ARG 37 HH12 ARG 37 -4.885 9.906 -0.828 174 HH21 ARG 37 HH21 ARG 37 -8.185 9.509 -1.934 175 HH22 ARG 37 HH22 ARG 37 -6.857 10.613 -1.765 176 H ARG 38 HN ARG 38 -7.234 1.489 -1.017 177 HA ARG 38 HA ARG 38 -9.791 2.739 -1.612 178 HB2 ARG 38 HB2 ARG 38 -8.494 0.243 -2.707 179 HB3 ARG 38 HB1 ARG 38 -10.050 0.869 -3.236 180 HG2 ARG 38 HG2 ARG 38 -8.976 2.924 -3.991 181 HG3 ARG 38 HG1 ARG 38 -7.413 2.309 -3.450 182 HD2 ARG 38 HD2 ARG 38 -7.709 2.020 -5.859 183 HD3 ARG 38 HD1 ARG 38 -7.570 0.471 -5.035 184 HE ARG 38 HE ARG 38 -10.276 1.010 -5.213 185 HH11 ARG 38 HH11 ARG 38 -7.615 0.557 -7.436 186 HH12 ARG 38 HH12 ARG 38 -8.605 -0.121 -8.685 187 HH21 ARG 38 HH21 ARG 38 -11.588 0.116 -6.852 188 HH22 ARG 38 HH22 ARG 38 -10.872 -0.359 -8.360 189 H TYR 39 HN TYR 39 -8.969 1.312 0.978 190 HA TYR 39 HA TYR 39 -9.966 0.140 2.633 191 HB2 TYR 39 HB2 TYR 39 -11.901 1.623 1.933 192 HB3 TYR 39 HB1 TYR 39 -12.501 0.260 0.997 193 HD1 TYR 39 HD1 TYR 39 -11.947 1.586 4.363 194 HD2 TYR 39 HD2 TYR 39 -13.467 -1.679 2.103 195 HE1 TYR 39 HE1 TYR 39 -13.100 0.745 6.364 196 HE2 TYR 39 HE2 TYR 39 -14.626 -2.529 4.098 197 HH TYR 39 HH TYR 39 -14.943 -0.666 6.967 198 H THR 40 HN THR 40 -8.864 -1.765 2.423 199 HA THR 40 HA THR 40 -10.330 -4.053 1.589 200 HB THR 40 HB THR 40 -9.552 -3.299 -0.627 201 HG1 THR 40 HG1 THR 40 -8.584 -5.680 0.511 202 HG21 THR 40 HG21 THR 40 -7.155 -3.305 -1.172 203 HG22 THR 40 HG22 THR 40 -6.777 -3.599 0.525 204 HG23 THR 40 HG23 THR 40 -7.546 -2.087 0.042 Start of MODEL 7 1 H1 CYS 9 HT1 CYS 9 3.054 -8.713 -5.378 2 H2 CYS 9 HT2 CYS 9 1.735 -8.482 -6.410 3 H3 CYS 9 HT3 CYS 9 1.542 -9.348 -4.974 4 HA CYS 9 HA CYS 9 2.264 -6.495 -5.143 5 HB2 CYS 9 HB2 CYS 9 -0.357 -7.837 -4.560 6 HB3 CYS 9 HB1 CYS 9 -0.029 -6.164 -4.154 7 H GLY 10 HN GLY 10 2.771 -5.534 -3.250 8 HA2 GLY 10 HA2 GLY 10 3.525 -6.858 -0.953 9 HA3 GLY 10 HA1 GLY 10 3.052 -5.163 -1.024 10 H GLY 11 HN GLY 11 1.181 -4.532 -0.129 11 HA2 GLY 11 HA2 GLY 11 -1.233 -5.463 0.161 12 HA3 GLY 11 HA1 GLY 11 -0.410 -6.597 1.220 13 H ALA 12 HN ALA 12 -2.183 -5.393 2.586 14 HA ALA 12 HA ALA 12 -1.645 -2.735 3.407 15 HB1 ALA 12 HB1 ALA 12 -3.862 -3.789 3.584 16 HB2 ALA 12 HB2 ALA 12 -3.315 -3.094 5.111 17 HB3 ALA 12 HB3 ALA 12 -3.240 -4.840 4.858 18 H GLY 13 HN GLY 13 -0.120 -2.010 4.685 19 HA2 GLY 13 HA2 GLY 13 1.145 -1.859 6.634 20 HA3 GLY 13 HA1 GLY 13 0.671 -3.496 7.049 21 H ALA 14 HN ALA 14 1.664 -3.536 3.901 22 HA ALA 14 HA ALA 14 4.160 -4.815 4.620 23 HB1 ALA 14 HB1 ALA 14 2.922 -4.341 1.908 24 HB2 ALA 14 HB2 ALA 14 2.707 -5.783 2.901 25 HB3 ALA 14 HB3 ALA 14 4.298 -5.388 2.256 26 H LYS 15 HN LYS 15 6.221 -4.170 3.870 27 HA LYS 15 HA LYS 15 6.597 -1.323 3.854 28 HB2 LYS 15 HB2 LYS 15 8.542 -3.612 3.505 29 HB3 LYS 15 HB1 LYS 15 9.017 -1.925 3.592 30 HG2 LYS 15 HG2 LYS 15 8.202 -1.764 5.853 31 HG3 LYS 15 HG1 LYS 15 7.570 -3.411 5.774 32 HD2 LYS 15 HD2 LYS 15 9.841 -4.263 5.453 33 HD3 LYS 15 HD1 LYS 15 10.472 -2.619 5.527 34 HE2 LYS 15 HE2 LYS 15 8.960 -3.976 7.752 35 HE3 LYS 15 HE1 LYS 15 10.716 -3.891 7.646 36 HZ1 LYS 15 HZ1 LYS 15 8.886 -1.563 7.820 37 HZ2 LYS 15 HZ2 LYS 15 10.569 -1.485 7.724 38 HZ3 LYS 15 HZ3 LYS 15 9.831 -2.168 9.081 39 H CYS 16 HN CYS 16 7.119 -0.017 2.166 40 HA CYS 16 HA CYS 16 7.446 -1.206 -0.488 41 HB2 CYS 16 HB2 CYS 16 5.688 0.337 -1.383 42 HB3 CYS 16 HB1 CYS 16 5.057 -0.902 -0.302 43 H SER 17 HN SER 17 8.582 0.060 -1.921 44 HA SER 17 HA SER 17 9.520 2.664 -0.949 45 HB2 SER 17 HB2 SER 17 11.091 2.422 -2.988 46 HB3 SER 17 HB1 SER 17 11.384 1.376 -1.599 47 HG SER 17 HG SER 17 10.653 -0.328 -2.687 48 H THR 18 HN THR 18 7.871 1.050 -3.586 49 HA THR 18 HA THR 18 6.634 3.624 -4.289 50 HB THR 18 HB THR 18 6.333 2.643 -6.625 51 HG1 THR 18 HG1 THR 18 8.530 1.002 -5.849 52 HG21 THR 18 HG21 THR 18 8.576 3.325 -7.382 53 HG22 THR 18 HG22 THR 18 9.130 3.312 -5.707 54 HG23 THR 18 HG23 THR 18 7.893 4.459 -6.218 55 H LYS 19 HN LYS 19 4.418 3.380 -5.099 56 HA LYS 19 HA LYS 19 2.976 1.460 -3.558 57 HB2 LYS 19 HB2 LYS 19 0.979 2.453 -4.430 58 HB3 LYS 19 HB1 LYS 19 2.118 3.742 -4.081 59 HG2 LYS 19 HG2 LYS 19 2.680 3.885 -6.456 60 HG3 LYS 19 HG1 LYS 19 1.525 2.595 -6.800 61 HD2 LYS 19 HD2 LYS 19 -0.259 4.021 -5.818 62 HD3 LYS 19 HD1 LYS 19 0.922 5.320 -5.659 63 HE2 LYS 19 HE2 LYS 19 -0.409 5.617 -7.667 64 HE3 LYS 19 HE1 LYS 19 1.272 5.287 -8.082 65 HZ1 LYS 19 HZ1 LYS 19 -0.313 4.057 -9.463 66 HZ2 LYS 19 HZ2 LYS 19 -0.900 3.263 -8.092 67 HZ3 LYS 19 HZ3 LYS 19 0.698 3.023 -8.590 68 H SER 20 HN SER 20 4.398 1.395 -6.618 69 HA SER 20 HA SER 20 2.703 -0.404 -7.970 70 HB2 SER 20 HB2 SER 20 5.691 -0.044 -8.286 71 HB3 SER 20 HB1 SER 20 4.584 -0.728 -9.475 72 HG SER 20 HG SER 20 4.687 1.313 -10.116 73 H ASP 21 HN ASP 21 4.845 -0.821 -5.344 74 HA ASP 21 HA ASP 21 5.562 -3.531 -5.660 75 HB2 ASP 21 HB2 ASP 21 6.581 -1.975 -3.998 76 HB3 ASP 21 HB1 ASP 21 5.085 -2.016 -3.073 77 H CYS 22 HN CYS 22 2.831 -1.940 -4.124 78 HA CYS 22 HA CYS 22 1.587 -4.537 -3.599 79 HB2 CYS 22 HB2 CYS 22 0.833 -1.796 -2.584 80 HB3 CYS 22 HB1 CYS 22 0.148 -3.324 -2.047 81 H CYS 23 HN CYS 23 -0.860 -4.566 -3.910 82 HA CYS 23 HA CYS 23 -1.443 -3.813 -6.613 83 HB2 CYS 23 HB2 CYS 23 -2.955 -5.232 -4.442 84 HB3 CYS 23 HB1 CYS 23 -3.802 -4.676 -5.878 85 H SER 24 HN SER 24 -3.653 -2.699 -7.036 86 HA SER 24 HA SER 24 -3.060 -0.037 -6.295 87 HB2 SER 24 HB2 SER 24 -5.437 -1.105 -7.815 88 HB3 SER 24 HB1 SER 24 -4.891 0.572 -7.783 89 HG SER 24 HG SER 24 -2.782 -0.796 -8.437 90 H GLY 25 HN GLY 25 -4.930 -2.308 -4.667 91 HA2 GLY 25 HA2 GLY 25 -6.756 -0.406 -3.476 92 HA3 GLY 25 HA1 GLY 25 -6.519 -2.078 -2.986 93 H LEU 26 HN LEU 26 -3.541 -1.510 -2.939 94 HA LEU 26 HA LEU 26 -3.497 -0.196 -0.300 95 HB2 LEU 26 HB2 LEU 26 -1.487 -2.217 -1.295 96 HB3 LEU 26 HB1 LEU 26 -1.626 -1.562 0.316 97 HG LEU 26 HG LEU 26 -2.411 -3.736 0.513 98 HD11 LEU 26 HD11 LEU 26 -4.862 -2.046 0.117 99 HD12 LEU 26 HD12 LEU 26 -3.897 -2.169 1.588 100 HD13 LEU 26 HD13 LEU 26 -4.787 -3.573 0.998 101 HD21 LEU 26 HD21 LEU 26 -2.560 -4.318 -1.818 102 HD22 LEU 26 HD22 LEU 26 -4.011 -3.330 -2.004 103 HD23 LEU 26 HD23 LEU 26 -4.048 -4.771 -0.989 104 H TRP 27 HN TRP 27 -2.565 1.742 -0.389 105 HA TRP 27 HA TRP 27 -0.659 2.295 -2.555 106 HB2 TRP 27 HB2 TRP 27 -2.478 4.051 -0.930 107 HB3 TRP 27 HB1 TRP 27 -1.107 4.732 -1.801 108 HD1 TRP 27 HD1 TRP 27 -3.893 2.211 -2.826 109 HE1 TRP 27 HE1 TRP 27 -4.838 2.971 -5.096 110 HE3 TRP 27 HE3 TRP 27 -1.039 6.390 -3.520 111 HZ2 TRP 27 HZ2 TRP 27 -4.418 5.076 -6.938 112 HZ3 TRP 27 HZ3 TRP 27 -1.369 7.723 -5.558 113 HH2 TRP 27 HH2 TRP 27 -3.024 7.078 -7.233 114 H CYS 28 HN CYS 28 1.255 3.518 -2.098 115 HA CYS 28 HA CYS 28 2.447 2.613 0.383 116 HB2 CYS 28 HB2 CYS 28 3.550 2.451 -1.911 117 HB3 CYS 28 HB1 CYS 28 3.790 4.190 -1.813 118 H SER 29 HN SER 29 2.997 3.872 2.074 119 HA SER 29 HA SER 29 1.949 6.551 2.173 120 HB2 SER 29 HB2 SER 29 2.702 6.447 4.551 121 HB3 SER 29 HB1 SER 29 1.661 5.097 4.091 122 HG SER 29 HG SER 29 4.231 5.085 4.958 123 H GLY 30 HN GLY 30 3.937 6.529 0.282 124 HA2 GLY 30 HA2 GLY 30 5.782 7.749 -0.353 125 HA3 GLY 30 HA1 GLY 30 5.702 8.550 1.210 126 H SER 31 HN SER 31 6.568 5.408 -0.191 127 HA SER 31 HA SER 31 8.228 3.933 0.235 128 HB2 SER 31 HB2 SER 31 9.616 5.866 -0.448 129 HB3 SER 31 HB1 SER 31 9.728 6.362 1.238 130 HG SER 31 HG SER 31 10.552 4.043 1.483 131 H GLY 32 HN GLY 32 6.403 3.602 2.013 132 HA2 GLY 32 HA2 GLY 32 7.868 3.148 4.504 133 HA3 GLY 32 HA1 GLY 32 6.364 4.053 4.591 134 H HIS 33 HN HIS 33 4.404 3.019 4.156 135 HA HIS 33 HA HIS 33 4.508 0.089 3.916 136 HB2 HIS 33 HB2 HIS 33 2.851 1.625 5.942 137 HB3 HIS 33 HB1 HIS 33 2.752 -0.109 5.652 138 HD1 HIS 33 HD1 HIS 33 4.594 2.428 7.560 139 HD2 HIS 33 HD2 HIS 33 5.122 -1.547 6.460 140 HE1 HIS 33 HE1 HIS 33 6.398 1.540 9.071 141 HE2 HIS 33 HE2 HIS 33 6.594 -0.901 8.486 142 H CYS 34 HN CYS 34 2.738 -0.810 2.854 143 HA CYS 34 HA CYS 34 1.125 1.009 1.298 144 HB2 CYS 34 HB2 CYS 34 1.174 -2.007 1.455 145 HB3 CYS 34 HB1 CYS 34 0.143 -1.096 0.367 146 H TYR 35 HN TYR 35 -0.670 1.886 2.076 147 HA TYR 35 HA TYR 35 -2.101 0.503 4.230 148 HB2 TYR 35 HB2 TYR 35 -3.227 2.663 4.618 149 HB3 TYR 35 HB1 TYR 35 -1.479 2.820 4.704 150 HD1 TYR 35 HD1 TYR 35 -0.260 4.089 3.017 151 HD2 TYR 35 HD2 TYR 35 -4.490 3.692 2.811 152 HE1 TYR 35 HE1 TYR 35 -0.350 5.918 1.378 153 HE2 TYR 35 HE2 TYR 35 -4.587 5.517 1.172 154 HH TYR 35 HH TYR 35 -3.240 7.463 0.506 155 H HIS 36 HN HIS 36 -4.316 0.125 4.132 156 HA HIS 36 HA HIS 36 -5.273 -0.548 1.527 157 HB2 HIS 36 HB2 HIS 36 -7.282 -1.396 2.687 158 HB3 HIS 36 HB1 HIS 36 -5.796 -2.013 3.383 159 HD1 HIS 36 HD1 HIS 36 -8.334 -2.175 5.005 160 HD2 HIS 36 HD2 HIS 36 -5.731 1.068 5.194 161 HE1 HIS 36 HE1 HIS 36 -8.761 -1.083 7.231 162 HE2 HIS 36 HE2 HIS 36 -7.009 0.717 7.412 163 H ARG 37 HN ARG 37 -5.251 1.514 0.540 164 HA ARG 37 HA ARG 37 -6.660 3.759 1.434 165 HB2 ARG 37 HB2 ARG 37 -4.922 3.741 -0.363 166 HB3 ARG 37 HB1 ARG 37 -6.105 3.011 -1.439 167 HG2 ARG 37 HG2 ARG 37 -7.555 4.996 -1.102 168 HG3 ARG 37 HG1 ARG 37 -6.258 5.732 -0.163 169 HD2 ARG 37 HD2 ARG 37 -4.778 5.473 -2.155 170 HD3 ARG 37 HD1 ARG 37 -6.188 4.935 -3.065 171 HE ARG 37 HE ARG 37 -6.295 7.541 -1.744 172 HH11 ARG 37 HH11 ARG 37 -6.130 5.672 -4.705 173 HH12 ARG 37 HH12 ARG 37 -6.444 7.037 -5.724 174 HH21 ARG 37 HH21 ARG 37 -6.708 9.330 -3.090 175 HH22 ARG 37 HH22 ARG 37 -6.775 9.116 -4.810 176 H ARG 38 HN ARG 38 -7.660 1.085 -0.647 177 HA ARG 38 HA ARG 38 -10.272 2.264 -1.074 178 HB2 ARG 38 HB2 ARG 38 -9.148 -0.417 -1.894 179 HB3 ARG 38 HB1 ARG 38 -10.740 0.178 -2.345 180 HG2 ARG 38 HG2 ARG 38 -9.571 2.143 -3.414 181 HG3 ARG 38 HG1 ARG 38 -8.061 1.262 -3.169 182 HD2 ARG 38 HD2 ARG 38 -8.925 0.893 -5.418 183 HD3 ARG 38 HD1 ARG 38 -8.940 -0.605 -4.486 184 HE ARG 38 HE ARG 38 -11.432 0.597 -4.179 185 HH11 ARG 38 HH11 ARG 38 -9.544 -0.791 -6.777 186 HH12 ARG 38 HH12 ARG 38 -10.933 -1.321 -7.670 187 HH21 ARG 38 HH21 ARG 38 -13.249 -0.091 -5.343 188 HH22 ARG 38 HH22 ARG 38 -13.047 -0.925 -6.850 189 H TYR 39 HN TYR 39 -9.284 1.430 1.632 190 HA TYR 39 HA TYR 39 -10.091 0.539 3.545 191 HB2 TYR 39 HB2 TYR 39 -12.674 0.832 2.013 192 HB3 TYR 39 HB1 TYR 39 -12.596 0.416 3.723 193 HD1 TYR 39 HD1 TYR 39 -11.652 2.052 5.340 194 HD2 TYR 39 HD2 TYR 39 -12.387 3.086 1.280 195 HE1 TYR 39 HE1 TYR 39 -11.533 4.435 5.932 196 HE2 TYR 39 HE2 TYR 39 -12.272 5.470 1.863 197 HH TYR 39 HH TYR 39 -11.061 6.577 4.827 198 H THR 40 HN THR 40 -9.040 -1.319 1.758 199 HA THR 40 HA THR 40 -10.762 -3.655 2.121 200 HB THR 40 HB THR 40 -10.039 -3.417 -0.157 201 HG1 THR 40 HG1 THR 40 -8.583 -5.439 1.215 202 HG21 THR 40 HG21 THR 40 -8.119 -1.983 0.090 203 HG22 THR 40 HG22 THR 40 -7.636 -3.436 -0.784 204 HG23 THR 40 HG23 THR 40 -7.225 -3.257 0.922 Start of MODEL 8 1 H1 CYS 9 HT1 CYS 9 2.059 -9.173 -4.968 2 H2 CYS 9 HT2 CYS 9 3.376 -8.260 -5.503 3 H3 CYS 9 HT3 CYS 9 1.969 -8.341 -6.437 4 HA CYS 9 HA CYS 9 2.152 -6.243 -5.275 5 HB2 CYS 9 HB2 CYS 9 -0.060 -8.137 -4.607 6 HB3 CYS 9 HB1 CYS 9 -0.085 -6.496 -3.988 7 H GLY 10 HN GLY 10 1.000 -5.657 -2.845 8 HA2 GLY 10 HA2 GLY 10 3.052 -6.675 -0.993 9 HA3 GLY 10 HA1 GLY 10 2.508 -4.998 -1.018 10 H GLY 11 HN GLY 11 0.507 -4.463 -0.182 11 HA2 GLY 11 HA2 GLY 11 -1.690 -5.495 0.579 12 HA3 GLY 11 HA1 GLY 11 -0.662 -6.520 1.572 13 H ALA 12 HN ALA 12 -2.393 -5.264 3.021 14 HA ALA 12 HA ALA 12 -1.695 -2.592 3.730 15 HB1 ALA 12 HB1 ALA 12 -3.270 -2.861 5.554 16 HB2 ALA 12 HB2 ALA 12 -3.320 -4.603 5.280 17 HB3 ALA 12 HB3 ALA 12 -3.954 -3.500 4.059 18 H GLY 13 HN GLY 13 0.099 -2.046 4.752 19 HA2 GLY 13 HA2 GLY 13 1.499 -2.009 6.651 20 HA3 GLY 13 HA1 GLY 13 0.969 -3.638 7.049 21 H ALA 14 HN ALA 14 1.586 -3.657 3.830 22 HA ALA 14 HA ALA 14 4.011 -5.148 4.162 23 HB1 ALA 14 HB1 ALA 14 3.938 -5.413 1.741 24 HB2 ALA 14 HB2 ALA 14 2.659 -4.204 1.636 25 HB3 ALA 14 HB3 ALA 14 2.358 -5.737 2.454 26 H LYS 15 HN LYS 15 6.059 -4.631 3.379 27 HA LYS 15 HA LYS 15 6.772 -1.876 3.721 28 HB2 LYS 15 HB2 LYS 15 8.454 -4.231 2.824 29 HB3 LYS 15 HB1 LYS 15 9.069 -2.672 3.347 30 HG2 LYS 15 HG2 LYS 15 8.330 -3.038 5.580 31 HG3 LYS 15 HG1 LYS 15 7.435 -4.484 5.105 32 HD2 LYS 15 HD2 LYS 15 9.531 -5.590 4.508 33 HD3 LYS 15 HD1 LYS 15 10.431 -4.143 4.962 34 HE2 LYS 15 HE2 LYS 15 10.496 -5.842 6.722 35 HE3 LYS 15 HE1 LYS 15 9.686 -4.374 7.261 36 HZ1 LYS 15 HZ1 LYS 15 7.559 -5.445 6.920 37 HZ2 LYS 15 HZ2 LYS 15 8.514 -6.383 7.950 38 HZ3 LYS 15 HZ3 LYS 15 8.313 -6.841 6.337 39 H CYS 16 HN CYS 16 7.129 -0.369 2.207 40 HA CYS 16 HA CYS 16 7.431 -1.154 -0.591 41 HB2 CYS 16 HB2 CYS 16 5.620 0.394 -1.277 42 HB3 CYS 16 HB1 CYS 16 5.027 -0.947 -0.302 43 H SER 17 HN SER 17 8.705 0.218 -1.730 44 HA SER 17 HA SER 17 9.279 2.856 -0.552 45 HB2 SER 17 HB2 SER 17 11.238 1.316 -1.015 46 HB3 SER 17 HB1 SER 17 10.845 1.443 -2.729 47 HG SER 17 HG SER 17 11.023 3.874 -1.479 48 H THR 18 HN THR 18 7.651 1.177 -2.940 49 HA THR 18 HA THR 18 6.798 3.670 -4.207 50 HB THR 18 HB THR 18 6.631 2.367 -6.390 51 HG1 THR 18 HG1 THR 18 8.484 0.677 -5.019 52 HG21 THR 18 HG21 THR 18 8.306 4.105 -6.119 53 HG22 THR 18 HG22 THR 18 9.001 2.743 -6.999 54 HG23 THR 18 HG23 THR 18 9.379 2.976 -5.292 55 H LYS 19 HN LYS 19 4.614 3.552 -5.007 56 HA LYS 19 HA LYS 19 2.978 1.752 -3.492 57 HB2 LYS 19 HB2 LYS 19 1.083 2.829 -4.564 58 HB3 LYS 19 HB1 LYS 19 2.212 4.026 -3.952 59 HG2 LYS 19 HG2 LYS 19 3.036 4.455 -6.164 60 HG3 LYS 19 HG1 LYS 19 2.065 3.137 -6.824 61 HD2 LYS 19 HD2 LYS 19 0.023 4.316 -6.165 62 HD3 LYS 19 HD1 LYS 19 0.995 5.632 -5.505 63 HE2 LYS 19 HE2 LYS 19 1.887 6.109 -7.714 64 HE3 LYS 19 HE1 LYS 19 0.992 4.748 -8.389 65 HZ1 LYS 19 HZ1 LYS 19 -0.142 6.829 -8.805 66 HZ2 LYS 19 HZ2 LYS 19 -0.202 7.168 -7.149 67 HZ3 LYS 19 HZ3 LYS 19 -1.067 5.856 -7.777 68 H SER 20 HN SER 20 4.427 1.663 -6.569 69 HA SER 20 HA SER 20 2.628 -0.054 -7.908 70 HB2 SER 20 HB2 SER 20 5.613 0.177 -8.332 71 HB3 SER 20 HB1 SER 20 4.407 -0.352 -9.506 72 HG SER 20 HG SER 20 3.549 1.734 -9.511 73 H ASP 21 HN ASP 21 4.809 -0.576 -5.341 74 HA ASP 21 HA ASP 21 5.455 -3.296 -5.798 75 HB2 ASP 21 HB2 ASP 21 6.620 -1.772 -4.162 76 HB3 ASP 21 HB1 ASP 21 5.214 -1.916 -3.108 77 H CYS 22 HN CYS 22 2.836 -1.671 -4.083 78 HA CYS 22 HA CYS 22 1.620 -4.236 -3.426 79 HB2 CYS 22 HB2 CYS 22 0.923 -1.414 -2.613 80 HB3 CYS 22 HB1 CYS 22 -0.001 -2.832 -2.128 81 H CYS 23 HN CYS 23 -0.871 -4.285 -3.665 82 HA CYS 23 HA CYS 23 -1.426 -4.010 -6.454 83 HB2 CYS 23 HB2 CYS 23 -2.833 -5.129 -4.092 84 HB3 CYS 23 HB1 CYS 23 -3.823 -4.676 -5.466 85 H SER 24 HN SER 24 -3.947 -3.242 -6.799 86 HA SER 24 HA SER 24 -3.753 -0.415 -6.691 87 HB2 SER 24 HB2 SER 24 -6.189 -2.078 -7.348 88 HB3 SER 24 HB1 SER 24 -5.868 -0.417 -7.849 89 HG SER 24 HG SER 24 -4.788 -1.175 -9.469 90 H GLY 25 HN GLY 25 -5.217 -2.770 -4.610 91 HA2 GLY 25 HA2 GLY 25 -7.057 -0.947 -3.364 92 HA3 GLY 25 HA1 GLY 25 -6.690 -2.582 -2.838 93 H LEU 26 HN LEU 26 -3.748 -1.780 -2.900 94 HA LEU 26 HA LEU 26 -3.745 -0.308 -0.350 95 HB2 LEU 26 HB2 LEU 26 -1.914 -2.591 -1.110 96 HB3 LEU 26 HB1 LEU 26 -1.817 -1.653 0.360 97 HG LEU 26 HG LEU 26 -2.801 -3.671 1.001 98 HD11 LEU 26 HD11 LEU 26 -5.073 -1.750 0.562 99 HD12 LEU 26 HD12 LEU 26 -3.958 -1.756 1.927 100 HD13 LEU 26 HD13 LEU 26 -5.065 -3.107 1.687 101 HD21 LEU 26 HD21 LEU 26 -4.655 -3.452 -1.366 102 HD22 LEU 26 HD22 LEU 26 -4.702 -4.714 -0.135 103 HD23 LEU 26 HD23 LEU 26 -3.300 -4.569 -1.194 104 H TRP 27 HN TRP 27 -2.784 1.577 -0.635 105 HA TRP 27 HA TRP 27 -0.691 1.810 -2.683 106 HB2 TRP 27 HB2 TRP 27 -2.533 3.830 -1.418 107 HB3 TRP 27 HB1 TRP 27 -1.083 4.328 -2.280 108 HD1 TRP 27 HD1 TRP 27 -3.132 1.394 -3.613 109 HE1 TRP 27 HE1 TRP 27 -4.230 2.090 -5.833 110 HE3 TRP 27 HE3 TRP 27 -1.967 6.370 -3.573 111 HZ2 TRP 27 HZ2 TRP 27 -4.561 4.433 -7.359 112 HZ3 TRP 27 HZ3 TRP 27 -2.712 7.769 -5.453 113 HH2 TRP 27 HH2 TRP 27 -3.982 6.816 -7.306 114 H CYS 28 HN CYS 28 1.223 3.023 -2.180 115 HA CYS 28 HA CYS 28 2.205 2.383 0.451 116 HB2 CYS 28 HB2 CYS 28 3.527 2.143 -1.698 117 HB3 CYS 28 HB1 CYS 28 3.648 3.898 -1.726 118 H SER 29 HN SER 29 2.333 3.722 2.143 119 HA SER 29 HA SER 29 1.112 6.300 1.996 120 HB2 SER 29 HB2 SER 29 1.671 6.414 4.414 121 HB3 SER 29 HB1 SER 29 0.859 4.909 3.982 122 HG SER 29 HG SER 29 2.513 3.991 4.886 123 H GLY 30 HN GLY 30 4.313 5.158 1.649 124 HA2 GLY 30 HA2 GLY 30 6.122 6.515 0.935 125 HA3 GLY 30 HA1 GLY 30 5.324 7.907 1.655 126 H SER 31 HN SER 31 4.800 6.003 4.030 127 HA SER 31 HA SER 31 7.158 6.758 5.495 128 HB2 SER 31 HB2 SER 31 4.906 6.872 6.509 129 HB3 SER 31 HB1 SER 31 4.768 5.120 6.379 130 HG SER 31 HG SER 31 6.903 6.358 7.769 131 H GLY 32 HN GLY 32 6.156 4.080 3.668 132 HA2 GLY 32 HA2 GLY 32 8.064 2.571 3.148 133 HA3 GLY 32 HA1 GLY 32 8.284 2.438 4.886 134 H HIS 33 HN HIS 33 5.044 2.553 4.510 135 HA HIS 33 HA HIS 33 4.763 -0.317 3.949 136 HB2 HIS 33 HB2 HIS 33 3.585 1.115 6.345 137 HB3 HIS 33 HB1 HIS 33 3.199 -0.533 5.868 138 HD1 HIS 33 HD1 HIS 33 5.488 1.397 7.913 139 HD2 HIS 33 HD2 HIS 33 5.545 -2.303 6.018 140 HE1 HIS 33 HE1 HIS 33 7.366 0.117 8.986 141 HE2 HIS 33 HE2 HIS 33 7.288 -2.165 7.928 142 H CYS 34 HN CYS 34 2.863 -0.891 2.956 143 HA CYS 34 HA CYS 34 1.339 1.205 1.726 144 HB2 CYS 34 HB2 CYS 34 1.054 -1.802 1.662 145 HB3 CYS 34 HB1 CYS 34 0.036 -0.706 0.738 146 H TYR 35 HN TYR 35 -0.832 1.681 1.976 147 HA TYR 35 HA TYR 35 -2.074 0.672 4.453 148 HB2 TYR 35 HB2 TYR 35 -3.026 2.867 4.849 149 HB3 TYR 35 HB1 TYR 35 -1.286 3.027 4.672 150 HD1 TYR 35 HD1 TYR 35 -4.530 3.977 3.372 151 HD2 TYR 35 HD2 TYR 35 -0.354 3.990 2.560 152 HE1 TYR 35 HE1 TYR 35 -4.873 5.708 1.661 153 HE2 TYR 35 HE2 TYR 35 -0.687 5.720 0.846 154 HH TYR 35 HH TYR 35 -3.482 7.522 0.573 155 H HIS 36 HN HIS 36 -4.546 1.316 4.377 156 HA HIS 36 HA HIS 36 -5.590 -0.172 2.134 157 HB2 HIS 36 HB2 HIS 36 -7.172 1.231 4.299 158 HB3 HIS 36 HB1 HIS 36 -7.714 -0.084 3.269 159 HD1 HIS 36 HD1 HIS 36 -7.006 -2.489 3.930 160 HD2 HIS 36 HD2 HIS 36 -5.615 0.477 6.502 161 HE1 HIS 36 HE1 HIS 36 -6.219 -3.685 5.998 162 HE2 HIS 36 HE2 HIS 36 -5.519 -1.864 7.589 163 H ARG 37 HN ARG 37 -5.725 0.923 0.219 164 HA ARG 37 HA ARG 37 -6.480 3.734 0.278 165 HB2 ARG 37 HB2 ARG 37 -4.624 3.088 -1.179 166 HB3 ARG 37 HB1 ARG 37 -5.683 1.990 -2.055 167 HG2 ARG 37 HG2 ARG 37 -5.334 4.074 -3.275 168 HG3 ARG 37 HG1 ARG 37 -7.027 3.862 -2.825 169 HD2 ARG 37 HD2 ARG 37 -6.582 5.319 -0.837 170 HD3 ARG 37 HD1 ARG 37 -4.987 5.646 -1.507 171 HE ARG 37 HE ARG 37 -6.325 6.482 -3.523 172 HH11 ARG 37 HH11 ARG 37 -7.465 6.666 -0.214 173 HH12 ARG 37 HH12 ARG 37 -8.398 8.100 -0.484 174 HH21 ARG 37 HH21 ARG 37 -7.566 8.377 -3.874 175 HH22 ARG 37 HH22 ARG 37 -8.452 9.079 -2.559 176 H ARG 38 HN ARG 38 -7.699 0.671 -1.004 177 HA ARG 38 HA ARG 38 -10.191 2.025 -1.768 178 HB2 ARG 38 HB2 ARG 38 -9.083 -0.682 -2.462 179 HB3 ARG 38 HB1 ARG 38 -10.722 -0.200 -2.859 180 HG2 ARG 38 HG2 ARG 38 -8.185 1.087 -3.836 181 HG3 ARG 38 HG1 ARG 38 -9.282 0.068 -4.771 182 HD2 ARG 38 HD2 ARG 38 -9.896 2.758 -3.573 183 HD3 ARG 38 HD1 ARG 38 -9.685 2.392 -5.283 184 HE ARG 38 HE ARG 38 -11.730 0.762 -4.444 185 HH11 ARG 38 HH11 ARG 38 -11.132 4.214 -4.496 186 HH12 ARG 38 HH12 ARG 38 -12.812 4.628 -4.627 187 HH21 ARG 38 HH21 ARG 38 -13.942 1.310 -4.611 188 HH22 ARG 38 HH22 ARG 38 -14.405 2.981 -4.694 189 H TYR 39 HN TYR 39 -9.430 1.440 0.995 190 HA TYR 39 HA TYR 39 -10.254 0.577 2.921 191 HB2 TYR 39 HB2 TYR 39 -12.336 1.655 1.891 192 HB3 TYR 39 HB1 TYR 39 -12.809 0.034 1.401 193 HD1 TYR 39 HD1 TYR 39 -14.121 -1.240 2.842 194 HD2 TYR 39 HD2 TYR 39 -11.837 1.975 4.436 195 HE1 TYR 39 HE1 TYR 39 -15.183 -1.582 5.033 196 HE2 TYR 39 HE2 TYR 39 -12.890 1.639 6.631 197 HH TYR 39 HH TYR 39 -14.660 -1.114 7.425 198 H THR 40 HN THR 40 -8.909 -1.142 1.020 199 HA THR 40 HA THR 40 -10.198 -3.717 1.142 200 HB THR 40 HB THR 40 -7.388 -3.070 0.226 201 HG1 THR 40 HG1 THR 40 -9.899 -2.778 -1.017 202 HG21 THR 40 HG21 THR 40 -9.246 -5.362 -0.435 203 HG22 THR 40 HG22 THR 40 -7.825 -5.451 0.606 204 HG23 THR 40 HG23 THR 40 -7.637 -5.111 -1.114 Start of MODEL 9 1 H1 CYS 9 HT1 CYS 9 3.897 -7.520 -5.404 2 H2 CYS 9 HT2 CYS 9 2.728 -7.877 -6.573 3 H3 CYS 9 HT3 CYS 9 2.837 -8.815 -5.169 4 HA CYS 9 HA CYS 9 2.099 -5.961 -5.281 5 HB2 CYS 9 HB2 CYS 9 0.525 -8.458 -5.317 6 HB3 CYS 9 HB1 CYS 9 -0.061 -7.198 -4.239 7 H GLY 10 HN GLY 10 0.522 -5.937 -3.083 8 HA2 GLY 10 HA2 GLY 10 1.864 -6.974 -0.786 9 HA3 GLY 10 HA1 GLY 10 2.216 -5.269 -1.075 10 H GLY 11 HN GLY 11 0.556 -6.802 0.983 11 HA2 GLY 11 HA2 GLY 11 -2.038 -5.527 0.538 12 HA3 GLY 11 HA1 GLY 11 -1.668 -6.690 1.797 13 H ALA 12 HN ALA 12 -2.743 -5.185 3.249 14 HA ALA 12 HA ALA 12 -1.660 -2.569 3.660 15 HB1 ALA 12 HB1 ALA 12 -3.486 -4.210 5.414 16 HB2 ALA 12 HB2 ALA 12 -3.992 -3.068 4.169 17 HB3 ALA 12 HB3 ALA 12 -3.144 -2.491 5.604 18 H GLY 13 HN GLY 13 0.123 -2.067 4.729 19 HA2 GLY 13 HA2 GLY 13 1.520 -2.127 6.654 20 HA3 GLY 13 HA1 GLY 13 1.017 -3.785 6.940 21 H ALA 14 HN ALA 14 1.560 -3.564 3.716 22 HA ALA 14 HA ALA 14 4.016 -5.022 3.864 23 HB1 ALA 14 HB1 ALA 14 2.322 -5.470 2.142 24 HB2 ALA 14 HB2 ALA 14 3.891 -5.089 1.436 25 HB3 ALA 14 HB3 ALA 14 2.614 -3.874 1.451 26 H LYS 15 HN LYS 15 6.074 -4.342 3.506 27 HA LYS 15 HA LYS 15 6.605 -1.540 3.698 28 HB2 LYS 15 HB2 LYS 15 8.982 -2.189 3.567 29 HB3 LYS 15 HB1 LYS 15 8.101 -3.115 4.772 30 HG2 LYS 15 HG2 LYS 15 8.020 -5.027 3.318 31 HG3 LYS 15 HG1 LYS 15 8.751 -4.103 2.006 32 HD2 LYS 15 HD2 LYS 15 10.770 -3.794 3.382 33 HD3 LYS 15 HD1 LYS 15 10.038 -4.778 4.647 34 HE2 LYS 15 HE2 LYS 15 11.598 -6.089 3.309 35 HE3 LYS 15 HE1 LYS 15 9.947 -6.684 3.129 36 HZ1 LYS 15 HZ1 LYS 15 11.152 -6.562 1.016 37 HZ2 LYS 15 HZ2 LYS 15 11.320 -4.888 1.199 38 HZ3 LYS 15 HZ3 LYS 15 9.784 -5.569 1.020 39 H CYS 16 HN CYS 16 7.415 -0.140 2.153 40 HA CYS 16 HA CYS 16 7.689 -1.029 -0.592 41 HB2 CYS 16 HB2 CYS 16 5.797 0.371 -1.380 42 HB3 CYS 16 HB1 CYS 16 5.269 -0.963 -0.353 43 H SER 17 HN SER 17 8.415 0.596 -2.004 44 HA SER 17 HA SER 17 9.042 3.203 -0.792 45 HB2 SER 17 HB2 SER 17 10.371 1.843 -3.153 46 HB3 SER 17 HB1 SER 17 10.808 3.418 -2.495 47 HG SER 17 HG SER 17 11.693 1.047 -1.742 48 H THR 18 HN THR 18 7.678 1.473 -3.513 49 HA THR 18 HA THR 18 6.311 3.946 -4.349 50 HB THR 18 HB THR 18 6.115 2.892 -6.611 51 HG1 THR 18 HG1 THR 18 7.468 1.115 -7.064 52 HG21 THR 18 HG21 THR 18 7.833 4.574 -6.193 53 HG22 THR 18 HG22 THR 18 8.433 3.343 -7.303 54 HG23 THR 18 HG23 THR 18 8.935 3.325 -5.613 55 H LYS 19 HN LYS 19 4.122 3.628 -5.154 56 HA LYS 19 HA LYS 19 2.692 1.733 -3.538 57 HB2 LYS 19 HB2 LYS 19 0.671 2.714 -4.557 58 HB3 LYS 19 HB1 LYS 19 1.736 3.917 -3.852 59 HG2 LYS 19 HG2 LYS 19 2.596 4.439 -6.089 60 HG3 LYS 19 HG1 LYS 19 1.476 3.265 -6.779 61 HD2 LYS 19 HD2 LYS 19 -0.411 4.542 -6.015 62 HD3 LYS 19 HD1 LYS 19 0.642 5.645 -5.127 63 HE2 LYS 19 HE2 LYS 19 0.612 5.278 -8.120 64 HE3 LYS 19 HE1 LYS 19 -0.142 6.610 -7.246 65 HZ1 LYS 19 HZ1 LYS 19 1.996 7.265 -8.110 66 HZ2 LYS 19 HZ2 LYS 19 2.762 5.989 -7.315 67 HZ3 LYS 19 HZ3 LYS 19 2.057 7.239 -6.421 68 H SER 20 HN SER 20 3.982 1.696 -6.674 69 HA SER 20 HA SER 20 2.180 -0.211 -7.807 70 HB2 SER 20 HB2 SER 20 5.028 0.388 -8.635 71 HB3 SER 20 HB1 SER 20 3.758 -0.331 -9.626 72 HG SER 20 HG SER 20 4.239 2.045 -9.818 73 H ASP 21 HN ASP 21 4.600 -0.362 -5.482 74 HA ASP 21 HA ASP 21 5.596 -2.992 -5.937 75 HB2 ASP 21 HB2 ASP 21 6.589 -1.119 -4.457 76 HB3 ASP 21 HB1 ASP 21 5.432 -1.648 -3.242 77 H CYS 22 HN CYS 22 2.950 -1.596 -4.117 78 HA CYS 22 HA CYS 22 2.004 -4.250 -3.332 79 HB2 CYS 22 HB2 CYS 22 1.049 -1.485 -2.556 80 HB3 CYS 22 HB1 CYS 22 0.337 -2.985 -1.979 81 H CYS 23 HN CYS 23 -0.605 -4.275 -3.438 82 HA CYS 23 HA CYS 23 -1.155 -4.107 -6.267 83 HB2 CYS 23 HB2 CYS 23 -2.371 -5.430 -3.950 84 HB3 CYS 23 HB1 CYS 23 -3.535 -4.819 -5.115 85 H SER 24 HN SER 24 -3.432 -3.258 -6.884 86 HA SER 24 HA SER 24 -3.223 -0.513 -6.847 87 HB2 SER 24 HB2 SER 24 -5.801 -2.025 -7.270 88 HB3 SER 24 HB1 SER 24 -5.349 -0.462 -7.953 89 HG SER 24 HG SER 24 -3.674 -1.540 -9.097 90 H GLY 25 HN GLY 25 -5.292 -2.524 -4.765 91 HA2 GLY 25 HA2 GLY 25 -6.704 -0.318 -3.628 92 HA3 GLY 25 HA1 GLY 25 -6.694 -1.967 -3.026 93 H LEU 26 HN LEU 26 -3.591 -1.564 -3.048 94 HA LEU 26 HA LEU 26 -3.539 -0.311 -0.389 95 HB2 LEU 26 HB2 LEU 26 -1.668 -2.353 -1.583 96 HB3 LEU 26 HB1 LEU 26 -1.434 -1.576 -0.036 97 HG LEU 26 HG LEU 26 -2.290 -3.626 0.559 98 HD11 LEU 26 HD11 LEU 26 -3.564 -1.836 1.608 99 HD12 LEU 26 HD12 LEU 26 -4.527 -3.298 1.395 100 HD13 LEU 26 HD13 LEU 26 -4.754 -1.929 0.309 101 HD21 LEU 26 HD21 LEU 26 -2.825 -4.394 -1.706 102 HD22 LEU 26 HD22 LEU 26 -4.322 -3.463 -1.656 103 HD23 LEU 26 HD23 LEU 26 -4.083 -4.809 -0.541 104 H TRP 27 HN TRP 27 -2.788 1.670 -0.437 105 HA TRP 27 HA TRP 27 -0.892 2.463 -2.519 106 HB2 TRP 27 HB2 TRP 27 -2.699 4.011 -0.672 107 HB3 TRP 27 HB1 TRP 27 -1.382 4.801 -1.535 108 HD1 TRP 27 HD1 TRP 27 -4.264 2.394 -2.584 109 HE1 TRP 27 HE1 TRP 27 -5.272 3.292 -4.775 110 HE3 TRP 27 HE3 TRP 27 -1.292 6.505 -3.228 111 HZ2 TRP 27 HZ2 TRP 27 -4.865 5.460 -6.537 112 HZ3 TRP 27 HZ3 TRP 27 -1.672 7.941 -5.187 113 HH2 TRP 27 HH2 TRP 27 -3.423 7.427 -6.807 114 H CYS 28 HN CYS 28 1.082 3.455 -2.021 115 HA CYS 28 HA CYS 28 2.222 2.385 0.417 116 HB2 CYS 28 HB2 CYS 28 3.377 2.080 -1.740 117 HB3 CYS 28 HB1 CYS 28 3.552 3.825 -1.884 118 H SER 29 HN SER 29 2.349 3.523 2.207 119 HA SER 29 HA SER 29 2.075 6.401 2.193 120 HB2 SER 29 HB2 SER 29 0.969 5.065 3.940 121 HB3 SER 29 HB1 SER 29 2.532 4.442 4.465 122 HG SER 29 HG SER 29 1.678 7.159 4.540 123 H GLY 30 HN GLY 30 3.630 7.822 3.162 124 HA2 GLY 30 HA2 GLY 30 6.285 7.400 2.294 125 HA3 GLY 30 HA1 GLY 30 5.737 8.710 3.331 126 H SER 31 HN SER 31 4.677 6.369 5.095 127 HA SER 31 HA SER 31 7.031 6.150 6.743 128 HB2 SER 31 HB2 SER 31 4.315 4.863 7.093 129 HB3 SER 31 HB1 SER 31 5.566 5.033 8.324 130 HG SER 31 HG SER 31 5.147 7.445 7.381 131 H GLY 32 HN GLY 32 6.462 4.719 3.992 132 HA2 GLY 32 HA2 GLY 32 7.619 2.978 3.032 133 HA3 GLY 32 HA1 GLY 32 8.260 2.581 4.614 134 H HIS 33 HN HIS 33 4.830 2.777 4.356 135 HA HIS 33 HA HIS 33 4.616 -0.111 3.940 136 HB2 HIS 33 HB2 HIS 33 3.571 1.365 6.359 137 HB3 HIS 33 HB1 HIS 33 2.981 -0.223 5.878 138 HD1 HIS 33 HD1 HIS 33 5.251 1.198 8.162 139 HD2 HIS 33 HD2 HIS 33 5.434 -2.051 5.578 140 HE1 HIS 33 HE1 HIS 33 7.079 -0.275 9.056 141 HE2 HIS 33 HE2 HIS 33 7.053 -2.312 7.575 142 H CYS 34 HN CYS 34 2.797 -0.754 2.923 143 HA CYS 34 HA CYS 34 1.155 1.275 1.714 144 HB2 CYS 34 HB2 CYS 34 1.059 -1.742 1.527 145 HB3 CYS 34 HB1 CYS 34 0.084 -0.646 0.561 146 H TYR 35 HN TYR 35 -1.027 1.607 1.978 147 HA TYR 35 HA TYR 35 -2.310 0.214 4.231 148 HB2 TYR 35 HB2 TYR 35 -3.379 2.320 4.902 149 HB3 TYR 35 HB1 TYR 35 -1.628 2.451 4.972 150 HD1 TYR 35 HD1 TYR 35 -4.656 3.817 3.613 151 HD2 TYR 35 HD2 TYR 35 -0.439 3.659 3.083 152 HE1 TYR 35 HE1 TYR 35 -4.760 5.842 2.222 153 HE2 TYR 35 HE2 TYR 35 -0.533 5.681 1.688 154 HH TYR 35 HH TYR 35 -2.102 6.926 0.348 155 H HIS 36 HN HIS 36 -4.645 0.133 4.119 156 HA HIS 36 HA HIS 36 -5.437 -0.388 1.403 157 HB2 HIS 36 HB2 HIS 36 -7.589 -1.207 2.492 158 HB3 HIS 36 HB1 HIS 36 -6.118 -2.080 2.878 159 HD1 HIS 36 HD1 HIS 36 -6.251 -2.828 5.218 160 HD2 HIS 36 HD2 HIS 36 -7.862 0.976 4.757 161 HE1 HIS 36 HE1 HIS 36 -6.975 -2.118 7.515 162 HE2 HIS 36 HE2 HIS 36 -8.094 0.112 7.184 163 H ARG 37 HN ARG 37 -5.331 1.886 0.740 164 HA ARG 37 HA ARG 37 -7.145 3.805 1.774 165 HB2 ARG 37 HB2 ARG 37 -5.050 4.271 0.397 166 HB3 ARG 37 HB1 ARG 37 -6.006 3.843 -1.017 167 HG2 ARG 37 HG2 ARG 37 -7.648 5.605 -0.314 168 HG3 ARG 37 HG1 ARG 37 -6.471 6.113 0.896 169 HD2 ARG 37 HD2 ARG 37 -6.121 7.537 -0.939 170 HD3 ARG 37 HD1 ARG 37 -4.826 6.342 -1.029 171 HE ARG 37 HE ARG 37 -6.450 5.188 -2.667 172 HH11 ARG 37 HH11 ARG 37 -5.980 8.644 -2.352 173 HH12 ARG 37 HH12 ARG 37 -6.497 8.988 -3.971 174 HH21 ARG 37 HH21 ARG 37 -7.148 5.642 -4.790 175 HH22 ARG 37 HH22 ARG 37 -7.156 7.281 -5.357 176 H ARG 38 HN ARG 38 -7.363 1.422 -0.797 177 HA ARG 38 HA ARG 38 -9.918 2.398 -1.715 178 HB2 ARG 38 HB2 ARG 38 -8.302 1.253 -3.218 179 HB3 ARG 38 HB1 ARG 38 -8.545 -0.228 -2.308 180 HG2 ARG 38 HG2 ARG 38 -10.897 -0.249 -2.958 181 HG3 ARG 38 HG1 ARG 38 -10.655 1.240 -3.872 182 HD2 ARG 38 HD2 ARG 38 -9.016 0.096 -5.283 183 HD3 ARG 38 HD1 ARG 38 -9.276 -1.390 -4.378 184 HE ARG 38 HE ARG 38 -11.759 -0.713 -5.251 185 HH11 ARG 38 HH11 ARG 38 -8.677 -1.167 -6.846 186 HH12 ARG 38 HH12 ARG 38 -9.380 -1.768 -8.313 187 HH21 ARG 38 HH21 ARG 38 -12.691 -1.472 -7.191 188 HH22 ARG 38 HH22 ARG 38 -11.667 -1.922 -8.517 189 H TYR 39 HN TYR 39 -8.911 0.717 0.934 190 HA TYR 39 HA TYR 39 -9.817 -0.653 2.484 191 HB2 TYR 39 HB2 TYR 39 -12.302 0.675 1.407 192 HB3 TYR 39 HB1 TYR 39 -12.338 -0.428 2.780 193 HD1 TYR 39 HD1 TYR 39 -11.038 2.819 1.581 194 HD2 TYR 39 HD2 TYR 39 -11.618 0.264 4.931 195 HE1 TYR 39 HE1 TYR 39 -10.429 4.665 3.087 196 HE2 TYR 39 HE2 TYR 39 -11.016 2.101 6.445 197 HH TYR 39 HH TYR 39 -9.791 4.177 6.419 198 H THR 40 HN THR 40 -9.041 -2.024 0.362 199 HA THR 40 HA THR 40 -11.129 -3.696 -0.664 200 HB THR 40 HB THR 40 -9.232 -3.215 -2.099 201 HG1 THR 40 HG1 THR 40 -10.315 -5.427 -1.962 202 HG21 THR 40 HG21 THR 40 -7.002 -4.179 -1.644 203 HG22 THR 40 HG22 THR 40 -7.558 -4.653 -0.040 204 HG23 THR 40 HG23 THR 40 -7.461 -2.946 -0.470 Start of MODEL 10 1 H1 CYS 9 HT1 CYS 9 1.236 -9.418 -4.953 2 H2 CYS 9 HT2 CYS 9 2.601 -8.561 -5.458 3 H3 CYS 9 HT3 CYS 9 1.226 -8.609 -6.437 4 HA CYS 9 HA CYS 9 1.435 -6.498 -5.311 5 HB2 CYS 9 HB2 CYS 9 -0.852 -8.315 -4.693 6 HB3 CYS 9 HB1 CYS 9 -0.845 -6.672 -4.071 7 H GLY 10 HN GLY 10 0.347 -5.689 -3.048 8 HA2 GLY 10 HA2 GLY 10 1.712 -6.991 -0.818 9 HA3 GLY 10 HA1 GLY 10 2.127 -5.317 -1.196 10 H GLY 11 HN GLY 11 0.328 -7.078 0.838 11 HA2 GLY 11 HA2 GLY 11 -2.126 -5.619 0.745 12 HA3 GLY 11 HA1 GLY 11 -1.657 -6.773 1.973 13 H ALA 12 HN ALA 12 -2.821 -4.967 3.226 14 HA ALA 12 HA ALA 12 -1.522 -2.509 3.694 15 HB1 ALA 12 HB1 ALA 12 -3.332 -4.049 5.554 16 HB2 ALA 12 HB2 ALA 12 -3.861 -2.916 4.311 17 HB3 ALA 12 HB3 ALA 12 -2.917 -2.341 5.685 18 H GLY 13 HN GLY 13 0.154 -1.957 4.947 19 HA2 GLY 13 HA2 GLY 13 1.653 -2.135 6.747 20 HA3 GLY 13 HA1 GLY 13 1.092 -3.774 7.030 21 H ALA 14 HN ALA 14 1.603 -3.563 3.794 22 HA ALA 14 HA ALA 14 4.041 -5.073 3.948 23 HB1 ALA 14 HB1 ALA 14 2.322 -5.589 2.275 24 HB2 ALA 14 HB2 ALA 14 3.873 -5.218 1.523 25 HB3 ALA 14 HB3 ALA 14 2.585 -4.013 1.526 26 H LYS 15 HN LYS 15 6.079 -4.462 3.310 27 HA LYS 15 HA LYS 15 6.630 -1.648 3.483 28 HB2 LYS 15 HB2 LYS 15 9.010 -2.350 3.242 29 HB3 LYS 15 HB1 LYS 15 8.168 -3.136 4.565 30 HG2 LYS 15 HG2 LYS 15 7.836 -5.112 3.068 31 HG3 LYS 15 HG1 LYS 15 8.897 -4.320 1.900 32 HD2 LYS 15 HD2 LYS 15 10.676 -4.249 3.600 33 HD3 LYS 15 HD1 LYS 15 9.613 -5.088 4.731 34 HE2 LYS 15 HE2 LYS 15 11.137 -6.668 3.726 35 HE3 LYS 15 HE1 LYS 15 9.497 -6.991 3.166 36 HZ1 LYS 15 HZ1 LYS 15 11.544 -5.472 1.646 37 HZ2 LYS 15 HZ2 LYS 15 9.995 -5.879 1.105 38 HZ3 LYS 15 HZ3 LYS 15 11.139 -7.090 1.379 39 H CYS 16 HN CYS 16 7.336 -0.299 1.909 40 HA CYS 16 HA CYS 16 7.309 -1.276 -0.847 41 HB2 CYS 16 HB2 CYS 16 5.676 0.577 -1.397 42 HB3 CYS 16 HB1 CYS 16 5.005 -0.766 -0.473 43 H SER 17 HN SER 17 8.546 -0.088 -2.221 44 HA SER 17 HA SER 17 9.857 2.311 -1.191 45 HB2 SER 17 HB2 SER 17 11.216 0.563 -2.366 46 HB3 SER 17 HB1 SER 17 10.273 0.857 -3.824 47 HG SER 17 HG SER 17 11.171 3.197 -2.928 48 H THR 18 HN THR 18 7.618 1.138 -3.595 49 HA THR 18 HA THR 18 6.544 3.850 -3.851 50 HB THR 18 HB THR 18 6.062 3.429 -6.263 51 HG1 THR 18 HG1 THR 18 7.463 1.060 -5.652 52 HG21 THR 18 HG21 THR 18 8.346 3.838 -7.085 53 HG22 THR 18 HG22 THR 18 8.990 3.353 -5.517 54 HG23 THR 18 HG23 THR 18 7.986 4.797 -5.651 55 H LYS 19 HN LYS 19 4.302 3.549 -5.134 56 HA LYS 19 HA LYS 19 2.686 1.851 -3.532 57 HB2 LYS 19 HB2 LYS 19 0.864 2.534 -5.090 58 HB3 LYS 19 HB1 LYS 19 1.753 3.886 -4.398 59 HG2 LYS 19 HG2 LYS 19 3.133 3.879 -6.528 60 HG3 LYS 19 HG1 LYS 19 1.914 2.788 -7.185 61 HD2 LYS 19 HD2 LYS 19 0.206 4.427 -6.952 62 HD3 LYS 19 HD1 LYS 19 1.260 5.478 -6.002 63 HE2 LYS 19 HE2 LYS 19 2.728 5.728 -7.969 64 HE3 LYS 19 HE1 LYS 19 1.608 4.743 -8.906 65 HZ1 LYS 19 HZ1 LYS 19 1.299 7.141 -9.235 66 HZ2 LYS 19 HZ2 LYS 19 0.902 7.312 -7.600 67 HZ3 LYS 19 HZ3 LYS 19 -0.086 6.394 -8.619 68 H SER 20 HN SER 20 4.387 1.384 -6.483 69 HA SER 20 HA SER 20 2.771 -0.731 -7.513 70 HB2 SER 20 HB2 SER 20 5.625 0.017 -8.181 71 HB3 SER 20 HB1 SER 20 4.567 -1.014 -9.146 72 HG SER 20 HG SER 20 4.378 0.978 -10.034 73 H ASP 21 HN ASP 21 4.910 -0.580 -4.938 74 HA ASP 21 HA ASP 21 5.882 -3.285 -5.054 75 HB2 ASP 21 HB2 ASP 21 5.749 -1.258 -2.815 76 HB3 ASP 21 HB1 ASP 21 6.410 -2.874 -2.606 77 H CYS 22 HN CYS 22 2.928 -1.879 -4.482 78 HA CYS 22 HA CYS 22 1.947 -4.292 -3.130 79 HB2 CYS 22 HB2 CYS 22 1.088 -1.440 -2.605 80 HB3 CYS 22 HB1 CYS 22 0.323 -2.867 -1.914 81 H CYS 23 HN CYS 23 -0.777 -3.722 -3.247 82 HA CYS 23 HA CYS 23 -1.204 -4.028 -6.113 83 HB2 CYS 23 HB2 CYS 23 -2.364 -5.167 -3.822 84 HB3 CYS 23 HB1 CYS 23 -3.626 -4.195 -4.566 85 H SER 24 HN SER 24 -3.518 -3.039 -6.798 86 HA SER 24 HA SER 24 -3.111 -0.221 -6.741 87 HB2 SER 24 HB2 SER 24 -5.447 -1.829 -7.788 88 HB3 SER 24 HB1 SER 24 -5.162 -0.120 -8.112 89 HG SER 24 HG SER 24 -3.637 -2.357 -8.943 90 H GLY 25 HN GLY 25 -4.942 -2.387 -4.796 91 HA2 GLY 25 HA2 GLY 25 -6.693 -0.358 -3.723 92 HA3 GLY 25 HA1 GLY 25 -6.538 -2.013 -3.153 93 H LEU 26 HN LEU 26 -3.540 -1.549 -3.050 94 HA LEU 26 HA LEU 26 -3.555 -0.276 -0.403 95 HB2 LEU 26 HB2 LEU 26 -1.609 -2.287 -1.532 96 HB3 LEU 26 HB1 LEU 26 -1.505 -1.555 0.050 97 HG LEU 26 HG LEU 26 -2.326 -3.699 0.438 98 HD11 LEU 26 HD11 LEU 26 -3.576 -1.955 1.610 99 HD12 LEU 26 HD12 LEU 26 -4.536 -3.406 1.320 100 HD13 LEU 26 HD13 LEU 26 -4.777 -1.974 0.318 101 HD21 LEU 26 HD21 LEU 26 -4.348 -3.319 -1.759 102 HD22 LEU 26 HD22 LEU 26 -4.138 -4.756 -0.757 103 HD23 LEU 26 HD23 LEU 26 -2.868 -4.270 -1.877 104 H TRP 27 HN TRP 27 -2.778 1.705 -0.450 105 HA TRP 27 HA TRP 27 -0.827 2.412 -2.516 106 HB2 TRP 27 HB2 TRP 27 -2.721 4.054 -0.849 107 HB3 TRP 27 HB1 TRP 27 -1.380 4.796 -1.718 108 HD1 TRP 27 HD1 TRP 27 -4.434 2.535 -2.529 109 HE1 TRP 27 HE1 TRP 27 -5.283 3.165 -4.875 110 HE3 TRP 27 HE3 TRP 27 -0.900 6.019 -3.757 111 HZ2 TRP 27 HZ2 TRP 27 -4.547 4.905 -6.970 112 HZ3 TRP 27 HZ3 TRP 27 -1.044 7.119 -5.954 113 HH2 TRP 27 HH2 TRP 27 -2.831 6.572 -7.526 114 H CYS 28 HN CYS 28 1.166 3.124 -2.052 115 HA CYS 28 HA CYS 28 2.205 2.509 0.554 116 HB2 CYS 28 HB2 CYS 28 3.448 1.972 -1.513 117 HB3 CYS 28 HB1 CYS 28 3.584 3.692 -1.864 118 H SER 29 HN SER 29 2.586 3.897 2.175 119 HA SER 29 HA SER 29 1.917 6.672 1.869 120 HB2 SER 29 HB2 SER 29 1.448 5.362 3.950 121 HB3 SER 29 HB1 SER 29 3.184 5.281 4.242 122 HG SER 29 HG SER 29 1.649 7.121 5.108 123 H GLY 30 HN GLY 30 3.505 7.103 0.190 124 HA2 GLY 30 HA2 GLY 30 5.378 8.342 -0.370 125 HA3 GLY 30 HA1 GLY 30 5.908 8.240 1.303 126 H SER 31 HN SER 31 6.892 6.241 2.011 127 HA SER 31 HA SER 31 7.806 4.334 0.079 128 HB2 SER 31 HB2 SER 31 10.263 4.935 0.504 129 HB3 SER 31 HB1 SER 31 9.364 6.003 -0.573 130 HG SER 31 HG SER 31 9.101 6.804 1.989 131 H GLY 32 HN GLY 32 6.379 4.026 2.410 132 HA2 GLY 32 HA2 GLY 32 8.366 2.775 4.199 133 HA3 GLY 32 HA1 GLY 32 6.996 3.675 4.831 134 H HIS 33 HN HIS 33 4.891 2.818 4.592 135 HA HIS 33 HA HIS 33 4.772 -0.017 3.810 136 HB2 HIS 33 HB2 HIS 33 3.566 1.245 6.285 137 HB3 HIS 33 HB1 HIS 33 3.141 -0.359 5.695 138 HD1 HIS 33 HD1 HIS 33 5.348 1.279 7.988 139 HD2 HIS 33 HD2 HIS 33 5.581 -2.095 5.573 140 HE1 HIS 33 HE1 HIS 33 7.199 -0.117 8.956 141 HE2 HIS 33 HE2 HIS 33 7.204 -2.226 7.582 142 H CYS 34 HN CYS 34 2.743 -0.725 3.062 143 HA CYS 34 HA CYS 34 1.175 1.361 1.803 144 HB2 CYS 34 HB2 CYS 34 1.109 -1.649 1.592 145 HB3 CYS 34 HB1 CYS 34 0.031 -0.585 0.702 146 H TYR 35 HN TYR 35 -1.013 1.678 2.055 147 HA TYR 35 HA TYR 35 -2.291 0.313 4.331 148 HB2 TYR 35 HB2 TYR 35 -3.500 2.449 4.798 149 HB3 TYR 35 HB1 TYR 35 -1.764 2.561 5.059 150 HD1 TYR 35 HD1 TYR 35 -4.557 3.602 2.900 151 HD2 TYR 35 HD2 TYR 35 -0.393 3.994 3.689 152 HE1 TYR 35 HE1 TYR 35 -4.468 5.570 1.428 153 HE2 TYR 35 HE2 TYR 35 -0.294 5.959 2.218 154 HH TYR 35 HH TYR 35 -1.515 6.935 0.367 155 H HIS 36 HN HIS 36 -4.661 0.187 4.163 156 HA HIS 36 HA HIS 36 -5.291 -0.448 1.416 157 HB2 HIS 36 HB2 HIS 36 -7.351 -1.499 2.320 158 HB3 HIS 36 HB1 HIS 36 -5.858 -2.161 2.946 159 HD1 HIS 36 HD1 HIS 36 -7.513 -3.127 4.783 160 HD2 HIS 36 HD2 HIS 36 -6.922 0.984 4.871 161 HE1 HIS 36 HE1 HIS 36 -8.310 -2.375 7.049 162 HE2 HIS 36 HE2 HIS 36 -8.129 0.136 6.991 163 H ARG 37 HN ARG 37 -5.280 1.689 0.709 164 HA ARG 37 HA ARG 37 -6.950 3.761 1.455 165 HB2 ARG 37 HB2 ARG 37 -5.016 3.829 -0.132 166 HB3 ARG 37 HB1 ARG 37 -6.036 3.069 -1.340 167 HG2 ARG 37 HG2 ARG 37 -6.878 5.632 -0.078 168 HG3 ARG 37 HG1 ARG 37 -5.673 5.629 -1.361 169 HD2 ARG 37 HD2 ARG 37 -7.331 4.316 -2.739 170 HD3 ARG 37 HD1 ARG 37 -8.521 4.669 -1.486 171 HE ARG 37 HE ARG 37 -7.166 6.993 -2.517 172 HH11 ARG 37 HH11 ARG 37 -9.912 4.851 -2.899 173 HH12 ARG 37 HH12 ARG 37 -10.838 5.996 -3.812 174 HH21 ARG 37 HH21 ARG 37 -8.386 8.493 -3.732 175 HH22 ARG 37 HH22 ARG 37 -9.968 8.061 -4.292 176 H ARG 38 HN ARG 38 -7.500 1.281 -1.016 177 HA ARG 38 HA ARG 38 -10.199 2.233 -1.490 178 HB2 ARG 38 HB2 ARG 38 -8.677 -0.078 -2.686 179 HB3 ARG 38 HB1 ARG 38 -10.272 0.447 -3.205 180 HG2 ARG 38 HG2 ARG 38 -9.319 2.647 -3.797 181 HG3 ARG 38 HG1 ARG 38 -7.721 2.038 -3.367 182 HD2 ARG 38 HD2 ARG 38 -8.069 1.919 -5.773 183 HD3 ARG 38 HD1 ARG 38 -7.927 0.303 -5.087 184 HE ARG 38 HE ARG 38 -10.622 0.833 -5.143 185 HH11 ARG 38 HH11 ARG 38 -8.046 0.720 -7.509 186 HH12 ARG 38 HH12 ARG 38 -9.081 0.208 -8.801 187 HH21 ARG 38 HH21 ARG 38 -11.986 0.160 -6.844 188 HH22 ARG 38 HH22 ARG 38 -11.316 -0.126 -8.420 189 H TYR 39 HN TYR 39 -9.529 1.069 1.115 190 HA TYR 39 HA TYR 39 -10.448 -0.251 2.695 191 HB2 TYR 39 HB2 TYR 39 -12.723 -0.425 0.718 192 HB3 TYR 39 HB1 TYR 39 -12.812 -0.941 2.397 193 HD1 TYR 39 HD1 TYR 39 -12.461 0.825 4.202 194 HD2 TYR 39 HD2 TYR 39 -13.154 1.796 0.119 195 HE1 TYR 39 HE1 TYR 39 -13.148 3.090 4.865 196 HE2 TYR 39 HE2 TYR 39 -13.841 4.065 0.769 197 HH TYR 39 HH TYR 39 -14.774 5.193 2.818 198 H THR 40 HN THR 40 -8.591 -1.553 1.295 199 HA THR 40 HA THR 40 -9.600 -4.169 0.573 200 HB THR 40 HB THR 40 -6.707 -3.345 0.847 201 HG1 THR 40 HG1 THR 40 -8.390 -3.159 -1.456 202 HG21 THR 40 HG21 THR 40 -7.104 -5.744 0.638 203 HG22 THR 40 HG22 THR 40 -6.361 -5.113 -0.832 204 HG23 THR 40 HG23 THR 40 -8.087 -5.470 -0.800
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