NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
578634 | 2mau | 19374 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 6.561 2.634 3.671 2 HA CYS 1 HA CYS 1 8.093 1.544 2.168 3 HB2 CYS 1 2HB CYS 1 7.560 -1.024 1.895 4 HB3 CYS 1 3HB CYS 1 8.611 -0.457 3.189 5 H ALA 2 H ALA 2 7.503 0.213 0.099 6 HA ALA 2 HA ALA 2 4.784 1.025 -0.702 7 HB1 ALA 2 1HB ALA 2 7.245 0.771 -2.429 8 HB2 ALA 2 2HB ALA 2 5.642 1.274 -2.970 9 HB3 ALA 2 3HB ALA 2 6.549 2.280 -1.839 10 H GLN 3 H GLN 3 3.696 -0.316 -2.271 11 HA GLN 3 HA GLN 3 4.204 -3.138 -1.789 12 HB2 GLN 3 2HB GLN 3 1.898 -1.501 -2.585 13 HB3 GLN 3 3HB GLN 3 2.002 -3.050 -3.411 14 HG2 GLN 3 2HG GLN 3 0.794 -3.693 -1.612 15 HG3 GLN 3 3HG GLN 3 2.411 -3.917 -0.945 16 HE21 GLN 3 1HE2 GLN 3 -0.559 -2.648 -0.358 17 HE22 GLN 3 2HE2 GLN 3 -0.145 -1.487 0.852 18 H LYS 4 H LYS 4 4.476 -4.684 -3.419 19 HA LYS 4 HA LYS 4 6.198 -4.059 -5.488 20 HB2 LYS 4 2HB LYS 4 5.346 -6.306 -6.470 21 HB3 LYS 4 3HB LYS 4 6.166 -6.309 -4.914 22 HG2 LYS 4 2HG LYS 4 4.255 -7.743 -4.788 23 HG3 LYS 4 3HG LYS 4 3.955 -6.310 -3.799 24 HD2 LYS 4 2HD LYS 4 3.065 -5.979 -6.549 25 HD3 LYS 4 3HD LYS 4 2.279 -7.339 -5.742 26 HE2 LYS 4 2HE LYS 4 2.375 -4.474 -4.808 27 HE3 LYS 4 3HE LYS 4 0.965 -5.350 -5.402 28 HZ1 LYS 4 3HZ LYS 4 0.589 -5.759 -3.255 29 HZ2 LYS 4 1HZ LYS 4 2.166 -5.362 -2.785 30 HZ3 LYS 4 2HZ LYS 4 1.822 -6.910 -3.375 31 H GLY 5 H GLY 5 5.600 -4.787 -7.880 32 HA2 GLY 5 2HA GLY 5 4.625 -4.060 -9.830 33 HA3 GLY 5 3HA GLY 5 3.109 -4.360 -8.994 34 H GLU 6 H GLU 6 5.283 -2.017 -7.681 35 HA GLU 6 HA GLU 6 3.700 0.161 -8.863 36 HB2 GLU 6 2HB GLU 6 4.513 0.026 -5.956 37 HB3 GLU 6 3HB GLU 6 3.552 1.283 -6.723 38 HG2 GLU 6 2HG GLU 6 2.390 -1.337 -7.106 39 HG3 GLU 6 3HG GLU 6 2.610 -0.955 -5.399 40 H TYR 7 H TYR 7 4.753 2.300 -8.629 41 HA TYR 7 HA TYR 7 7.346 2.288 -9.639 42 HB2 TYR 7 2HB TYR 7 5.694 4.164 -9.826 43 HB3 TYR 7 3HB TYR 7 6.041 4.574 -8.150 44 HD1 TYR 7 HD2 TYR 7 8.174 5.572 -7.528 45 HD2 TYR 7 HD1 TYR 7 7.305 4.616 -11.582 46 HE1 TYR 7 HE2 TYR 7 10.063 6.969 -8.256 47 HE2 TYR 7 HE1 TYR 7 9.192 6.011 -12.321 48 HH TYR 7 HH TYR 7 10.531 7.883 -11.499 49 H CYS 8 H CYS 8 9.357 2.836 -8.751 50 HA CYS 8 HA CYS 8 9.601 3.057 -5.861 51 HB2 CYS 8 2HB CYS 8 9.634 0.646 -6.190 52 HB3 CYS 8 3HB CYS 8 10.872 0.805 -7.432 53 H SER 9 H SER 9 11.500 4.028 -5.189 54 HA SER 9 HA SER 9 13.707 4.475 -6.950 55 HB2 SER 9 2HB SER 9 13.500 6.847 -7.266 56 HB3 SER 9 3HB SER 9 11.986 6.113 -7.798 57 HG SER 9 HG SER 9 10.996 7.239 -6.340 58 H VAL 10 H VAL 10 15.152 6.316 -5.907 59 HA VAL 10 HA VAL 10 16.074 5.418 -3.479 60 HB VAL 10 HB VAL 10 17.134 7.701 -3.224 61 HG11 VAL 10 1HG1 VAL 10 18.262 5.862 -4.356 62 HG12 VAL 10 2HG1 VAL 10 17.464 6.290 -5.870 63 HG13 VAL 10 3HG1 VAL 10 18.627 7.398 -5.142 64 HG21 VAL 10 3HG2 VAL 10 16.419 9.441 -4.409 65 HG22 VAL 10 1HG2 VAL 10 16.588 8.546 -5.919 66 HG23 VAL 10 2HG2 VAL 10 15.092 8.437 -4.991 67 H TYR 11 H TYR 11 13.505 7.698 -4.123 68 HA TYR 11 HA TYR 11 13.267 8.422 -1.315 69 HB2 TYR 11 2HB TYR 11 11.432 9.230 -3.569 70 HB3 TYR 11 3HB TYR 11 11.636 10.021 -2.010 71 HD1 TYR 11 HD1 TYR 11 14.195 10.744 -1.551 72 HD2 TYR 11 HD2 TYR 11 12.408 10.260 -5.382 73 HE1 TYR 11 HE1 TYR 11 15.889 12.237 -2.524 74 HE2 TYR 11 HE2 TYR 11 14.098 11.750 -6.366 75 HH TYR 11 HH TYR 11 15.729 13.247 -5.898 76 H LEU 12 H LEU 12 11.579 6.533 -3.754 77 HA LEU 12 HA LEU 12 9.445 5.850 -1.900 78 HB2 LEU 12 2HB LEU 12 9.852 5.767 -4.767 79 HB3 LEU 12 3HB LEU 12 9.185 4.253 -4.158 80 HG LEU 12 HG LEU 12 7.651 6.261 -2.966 81 HD11 LEU 12 1HD1 LEU 12 8.832 7.556 -4.986 82 HD12 LEU 12 2HD1 LEU 12 7.178 7.882 -4.468 83 HD13 LEU 12 3HD1 LEU 12 7.478 6.838 -5.858 84 HD21 LEU 12 3HD2 LEU 12 5.904 5.137 -3.926 85 HD22 LEU 12 1HD2 LEU 12 7.171 3.917 -4.060 86 HD23 LEU 12 2HD2 LEU 12 6.748 4.906 -5.458 87 H GLN 13 H GLN 13 10.311 4.570 -0.320 88 HA GLN 13 HA GLN 13 12.096 2.408 -0.886 89 HB2 GLN 13 2HB GLN 13 11.077 3.746 1.440 90 HB3 GLN 13 3HB GLN 13 10.889 2.009 1.640 91 HG2 GLN 13 2HG GLN 13 13.445 3.470 1.017 92 HG3 GLN 13 3HG GLN 13 12.997 2.741 2.559 93 HE21 GLN 13 1HE2 GLN 13 12.116 0.335 2.027 94 HE22 GLN 13 2HE2 GLN 13 13.285 -0.621 1.188 95 H CYS 14 H CYS 14 11.677 0.165 -0.621 96 HA CYS 14 HA CYS 14 8.849 -0.573 -0.998 97 HB2 CYS 14 2HB CYS 14 10.706 -0.818 -2.924 98 HB3 CYS 14 3HB CYS 14 10.964 -2.348 -2.093 99 H CYS 15 H CYS 15 8.124 -2.484 -0.042 100 HA CYS 15 HA CYS 15 9.775 -3.393 2.201 101 HB2 CYS 15 2HB CYS 15 6.966 -2.880 1.838 102 HB3 CYS 15 3HB CYS 15 7.204 -4.544 2.362 103 H ASP 16 H ASP 16 10.927 -5.169 1.878 104 HA ASP 16 HA ASP 16 10.802 -6.914 -0.231 105 HB2 ASP 16 2HB ASP 16 11.781 -8.600 1.564 106 HB3 ASP 16 3HB ASP 16 12.715 -7.217 1.006 107 HA PRO 17 HA PRO 17 11.451 -9.328 -0.176 108 HB2 PRO 17 2HB PRO 17 10.421 -10.965 -2.080 109 HB3 PRO 17 3HB PRO 17 10.726 -11.494 -0.420 110 HG2 PRO 17 2HG PRO 17 8.156 -10.629 -1.692 111 HG3 PRO 17 3HG PRO 17 8.460 -11.988 -0.594 112 HD2 PRO 17 2HD PRO 17 7.386 -9.649 0.245 113 HD3 PRO 17 3HD PRO 17 8.430 -10.645 1.279 114 H TYR 18 H TYR 18 8.683 -7.719 -1.329 115 HA TYR 18 HA TYR 18 9.044 -7.357 -4.010 116 HB2 TYR 18 2HB TYR 18 8.389 -5.076 -2.147 117 HB3 TYR 18 3HB TYR 18 7.868 -5.287 -3.814 118 HD1 TYR 18 HD2 TYR 18 7.175 -8.279 -3.497 119 HD2 TYR 18 HD1 TYR 18 6.200 -4.827 -1.208 120 HE1 TYR 18 HE2 TYR 18 5.120 -9.383 -2.717 121 HE2 TYR 18 HE1 TYR 18 4.144 -5.921 -0.422 122 HH TYR 18 HH TYR 18 2.617 -8.050 -1.623 123 H HIS 19 H HIS 19 10.983 -7.122 -4.947 124 HA HIS 19 HA HIS 19 12.817 -5.082 -3.889 125 HB2 HIS 19 2HB HIS 19 14.570 -6.231 -5.179 126 HB3 HIS 19 3HB HIS 19 13.778 -7.324 -4.049 127 HD1 HIS 19 HD1 HIS 19 12.202 -9.145 -5.078 128 HD2 HIS 19 HD2 HIS 19 14.317 -6.895 -7.857 129 HE1 HIS 19 HE1 HIS 19 12.002 -10.398 -7.250 130 H CYS 20 H CYS 20 13.455 -3.377 -5.110 131 HA CYS 20 HA CYS 20 11.865 -2.684 -7.378 132 HB2 CYS 20 2HB CYS 20 14.365 -1.288 -6.415 133 HB3 CYS 20 3HB CYS 20 13.055 -0.600 -7.368 134 H THR 21 H THR 21 12.500 -2.403 -9.520 135 HA THR 21 HA THR 21 14.622 -4.188 -10.380 136 HB THR 21 HB THR 21 13.777 -3.508 -12.704 137 HG1 THR 21 HG1 THR 21 11.743 -2.514 -12.729 138 HG21 THR 21 3HG2 THR 21 12.804 -5.349 -10.795 139 HG22 THR 21 1HG2 THR 21 12.689 -5.445 -12.552 140 HG23 THR 21 2HG2 THR 21 11.401 -4.677 -11.623 141 H GLN 22 H GLN 22 13.733 -0.775 -10.873 142 HA GLN 22 HA GLN 22 16.550 -0.078 -11.021 143 HB2 GLN 22 2HB GLN 22 14.621 0.508 -13.273 144 HB3 GLN 22 3HB GLN 22 16.226 1.212 -13.124 145 HG2 GLN 22 2HG GLN 22 16.675 -0.500 -14.549 146 HG3 GLN 22 3HG GLN 22 16.960 -1.308 -13.009 147 HE21 GLN 22 1HE2 GLN 22 16.592 -3.250 -14.279 148 HE22 GLN 22 2HE2 GLN 22 14.972 -3.794 -14.532 149 HA PRO 23 HA PRO 23 13.782 2.961 -8.819 150 HB2 PRO 23 2HB PRO 23 15.236 3.008 -6.527 151 HB3 PRO 23 3HB PRO 23 13.947 1.835 -6.823 152 HG2 PRO 23 2HG PRO 23 16.910 1.506 -7.104 153 HG3 PRO 23 3HG PRO 23 15.721 0.391 -6.405 154 HD2 PRO 23 2HD PRO 23 16.704 0.090 -8.910 155 HD3 PRO 23 3HD PRO 23 15.053 -0.390 -8.468 156 H VAL 24 H VAL 24 16.987 2.743 -9.887 157 HA VAL 24 HA VAL 24 17.805 5.372 -8.991 158 HB VAL 24 HB VAL 24 19.499 3.636 -9.159 159 HG11 VAL 24 1HG1 VAL 24 18.170 2.945 -11.515 160 HG12 VAL 24 2HG1 VAL 24 19.761 3.510 -12.026 161 HG13 VAL 24 3HG1 VAL 24 19.625 2.200 -10.853 162 HG21 VAL 24 3HG2 VAL 24 19.914 6.128 -9.754 163 HG22 VAL 24 1HG2 VAL 24 21.171 4.939 -10.089 164 HG23 VAL 24 2HG2 VAL 24 20.138 5.521 -11.394 165 H ILE 25 H ILE 25 16.507 3.873 -11.868 166 HA ILE 25 HA ILE 25 16.522 6.509 -13.191 167 HB ILE 25 HB ILE 25 16.620 5.427 -15.339 168 HG12 ILE 25 2HG1 ILE 25 15.938 3.060 -13.759 169 HG13 ILE 25 3HG1 ILE 25 15.657 3.393 -15.464 170 HG21 ILE 25 1HG2 ILE 25 18.729 5.855 -14.066 171 HG22 ILE 25 2HG2 ILE 25 18.716 4.158 -13.590 172 HG23 ILE 25 3HG2 ILE 25 18.856 4.595 -15.293 173 HD11 ILE 25 3HD1 ILE 25 18.049 2.817 -15.882 174 HD12 ILE 25 1HD1 ILE 25 18.150 2.292 -14.201 175 HD13 ILE 25 2HD1 ILE 25 17.049 1.480 -15.315 176 H GLY 26 H GLY 26 14.534 5.005 -11.413 177 HA2 GLY 26 2HA GLY 26 12.218 5.269 -11.293 178 HA3 GLY 26 3HA GLY 26 12.205 5.716 -12.992 179 H GLY 27 H GLY 27 12.026 3.107 -10.703 180 HA2 GLY 27 2HA GLY 27 11.086 1.362 -12.883 181 HA3 GLY 27 3HA GLY 27 12.263 0.761 -11.724 182 H ILE 28 H ILE 28 10.671 -0.905 -11.283 183 HA ILE 28 HA ILE 28 8.776 -0.011 -9.232 184 HB ILE 28 HB ILE 28 7.136 -1.733 -10.073 185 HG12 ILE 28 2HG1 ILE 28 8.058 -1.559 -12.824 186 HG13 ILE 28 3HG1 ILE 28 9.231 -2.378 -11.799 187 HG21 ILE 28 1HG2 ILE 28 6.139 0.151 -10.703 188 HG22 ILE 28 2HG2 ILE 28 7.688 0.917 -11.051 189 HG23 ILE 28 3HG2 ILE 28 6.885 -0.051 -12.287 190 HD11 ILE 28 3HD1 ILE 28 6.670 -3.395 -11.161 191 HD12 ILE 28 1HD1 ILE 28 6.836 -3.392 -12.917 192 HD13 ILE 28 2HD1 ILE 28 8.029 -4.224 -11.919 193 H CYS 29 H CYS 29 7.804 -2.092 -8.143 194 HA CYS 29 HA CYS 29 10.097 -3.805 -7.483 195 HB2 CYS 29 2HB CYS 29 7.711 -2.857 -5.942 196 HB3 CYS 29 3HB CYS 29 8.496 -4.362 -5.473 197 H ALA 30 H ALA 30 9.721 -6.073 -7.075 198 HA ALA 30 HA ALA 30 7.378 -7.157 -8.494 199 HB1 ALA 30 1HB ALA 30 8.826 -7.800 -10.079 200 HB2 ALA 30 2HB ALA 30 10.227 -7.581 -9.029 201 HB3 ALA 30 3HB ALA 30 9.273 -9.061 -8.930 Start of MODEL 2 1 H1 CYS 1 H CYS 1 6.789 2.563 3.859 2 HA CYS 1 HA CYS 1 8.023 1.514 2.209 3 HB2 CYS 1 2HB CYS 1 7.518 -1.059 1.922 4 HB3 CYS 1 3HB CYS 1 8.555 -0.486 3.224 5 H ALA 2 H ALA 2 7.486 0.249 0.113 6 HA ALA 2 HA ALA 2 4.763 1.020 -0.706 7 HB1 ALA 2 1HB ALA 2 7.209 0.743 -2.447 8 HB2 ALA 2 2HB ALA 2 5.620 1.330 -2.943 9 HB3 ALA 2 3HB ALA 2 6.589 2.265 -1.804 10 H GLN 3 H GLN 3 3.685 -0.323 -2.273 11 HA GLN 3 HA GLN 3 4.206 -3.144 -1.799 12 HB2 GLN 3 2HB GLN 3 1.893 -1.515 -2.543 13 HB3 GLN 3 3HB GLN 3 2.005 -3.017 -3.450 14 HG2 GLN 3 2HG GLN 3 1.024 -4.015 -1.738 15 HG3 GLN 3 3HG GLN 3 2.511 -3.757 -0.826 16 HE21 GLN 3 1HE2 GLN 3 2.681 -1.736 0.377 17 HE22 GLN 3 2HE2 GLN 3 1.250 -1.049 1.059 18 H LYS 4 H LYS 4 4.474 -4.684 -3.441 19 HA LYS 4 HA LYS 4 6.205 -4.049 -5.501 20 HB2 LYS 4 2HB LYS 4 5.349 -6.287 -6.500 21 HB3 LYS 4 3HB LYS 4 6.164 -6.305 -4.942 22 HG2 LYS 4 2HG LYS 4 4.248 -7.732 -4.832 23 HG3 LYS 4 3HG LYS 4 3.949 -6.307 -3.834 24 HD2 LYS 4 2HD LYS 4 3.069 -5.954 -6.585 25 HD3 LYS 4 3HD LYS 4 2.277 -7.316 -5.789 26 HE2 LYS 4 2HE LYS 4 2.379 -4.456 -4.837 27 HE3 LYS 4 3HE LYS 4 0.968 -5.326 -5.438 28 HZ1 LYS 4 3HZ LYS 4 2.157 -5.350 -2.819 29 HZ2 LYS 4 1HZ LYS 4 1.826 -6.897 -3.417 30 HZ3 LYS 4 2HZ LYS 4 0.585 -5.754 -3.297 31 H GLY 5 H GLY 5 5.615 -4.754 -7.899 32 HA2 GLY 5 2HA GLY 5 4.651 -4.011 -9.847 33 HA3 GLY 5 3HA GLY 5 3.131 -4.316 -9.021 34 H GLU 6 H GLU 6 5.304 -1.986 -7.682 35 HA GLU 6 HA GLU 6 3.723 0.203 -8.846 36 HB2 GLU 6 2HB GLU 6 4.537 0.041 -5.941 37 HB3 GLU 6 3HB GLU 6 3.583 1.309 -6.697 38 HG2 GLU 6 2HG GLU 6 2.413 -1.306 -7.100 39 HG3 GLU 6 3HG GLU 6 2.626 -0.929 -5.391 40 H TYR 7 H TYR 7 4.776 2.328 -8.652 41 HA TYR 7 HA TYR 7 7.367 2.324 -9.646 42 HB2 TYR 7 2HB TYR 7 5.474 4.205 -9.462 43 HB3 TYR 7 3HB TYR 7 6.484 4.717 -8.114 44 HD1 TYR 7 HD2 TYR 7 8.821 5.418 -8.516 45 HD2 TYR 7 HD1 TYR 7 6.187 4.494 -11.727 46 HE1 TYR 7 HE2 TYR 7 10.334 6.565 -10.080 47 HE2 TYR 7 HE1 TYR 7 7.693 5.638 -13.300 48 HH TYR 7 HH TYR 7 9.432 7.300 -13.306 49 H CYS 8 H CYS 8 9.382 2.826 -8.766 50 HA CYS 8 HA CYS 8 9.635 3.038 -5.874 51 HB2 CYS 8 2HB CYS 8 9.669 0.633 -6.215 52 HB3 CYS 8 3HB CYS 8 10.891 0.798 -7.472 53 H SER 9 H SER 9 11.533 4.007 -5.198 54 HA SER 9 HA SER 9 13.740 4.466 -6.954 55 HB2 SER 9 2HB SER 9 13.528 6.827 -7.286 56 HB3 SER 9 3HB SER 9 12.000 6.103 -7.789 57 HG SER 9 HG SER 9 11.939 8.034 -6.354 58 H VAL 10 H VAL 10 15.190 6.292 -5.906 59 HA VAL 10 HA VAL 10 16.095 5.393 -3.471 60 HB VAL 10 HB VAL 10 17.296 7.523 -3.236 61 HG11 VAL 10 1HG1 VAL 10 17.233 6.040 -5.810 62 HG12 VAL 10 2HG1 VAL 10 18.207 7.509 -5.720 63 HG13 VAL 10 3HG1 VAL 10 18.520 6.173 -4.611 64 HG21 VAL 10 3HG2 VAL 10 16.014 9.291 -3.860 65 HG22 VAL 10 1HG2 VAL 10 16.873 9.054 -5.382 66 HG23 VAL 10 2HG2 VAL 10 15.244 8.409 -5.179 67 H TYR 11 H TYR 11 13.542 7.684 -4.132 68 HA TYR 11 HA TYR 11 13.299 8.422 -1.328 69 HB2 TYR 11 2HB TYR 11 11.471 9.224 -3.592 70 HB3 TYR 11 3HB TYR 11 11.674 10.021 -2.037 71 HD1 TYR 11 HD1 TYR 11 14.191 10.796 -1.564 72 HD2 TYR 11 HD2 TYR 11 12.497 10.184 -5.418 73 HE1 TYR 11 HE1 TYR 11 15.894 12.279 -2.541 74 HE2 TYR 11 HE2 TYR 11 14.196 11.663 -6.407 75 HH TYR 11 HH TYR 11 16.220 12.667 -6.009 76 H LEU 12 H LEU 12 11.613 6.521 -3.761 77 HA LEU 12 HA LEU 12 9.470 5.859 -1.910 78 HB2 LEU 12 2HB LEU 12 9.962 5.579 -4.797 79 HB3 LEU 12 3HB LEU 12 9.055 4.261 -4.059 80 HG LEU 12 HG LEU 12 7.992 6.822 -3.253 81 HD11 LEU 12 1HD1 LEU 12 7.856 6.279 -6.207 82 HD12 LEU 12 2HD1 LEU 12 8.986 7.428 -5.493 83 HD13 LEU 12 3HD1 LEU 12 7.249 7.680 -5.325 84 HD21 LEU 12 3HD2 LEU 12 6.552 4.899 -5.005 85 HD22 LEU 12 1HD2 LEU 12 5.990 5.771 -3.580 86 HD23 LEU 12 2HD2 LEU 12 7.041 4.366 -3.395 87 H GLN 13 H GLN 13 10.263 4.561 -0.323 88 HA GLN 13 HA GLN 13 12.072 2.405 -0.848 89 HB2 GLN 13 2HB GLN 13 11.526 3.824 1.366 90 HB3 GLN 13 3HB GLN 13 10.495 2.430 1.665 91 HG2 GLN 13 2HG GLN 13 12.876 1.296 0.882 92 HG3 GLN 13 3HG GLN 13 13.380 2.690 1.836 93 HE21 GLN 13 1HE2 GLN 13 12.267 -0.484 1.911 94 HE22 GLN 13 2HE2 GLN 13 11.966 -0.607 3.608 95 H CYS 14 H CYS 14 11.641 0.156 -0.523 96 HA CYS 14 HA CYS 14 8.822 -0.585 -0.960 97 HB2 CYS 14 2HB CYS 14 10.683 -0.813 -2.879 98 HB3 CYS 14 3HB CYS 14 10.954 -2.342 -2.052 99 H CYS 15 H CYS 15 8.103 -2.516 -0.031 100 HA CYS 15 HA CYS 15 9.745 -3.427 2.220 101 HB2 CYS 15 2HB CYS 15 6.935 -2.916 1.851 102 HB3 CYS 15 3HB CYS 15 7.175 -4.581 2.370 103 H ASP 16 H ASP 16 10.897 -5.203 1.893 104 HA ASP 16 HA ASP 16 10.778 -6.936 -0.227 105 HB2 ASP 16 2HB ASP 16 11.753 -8.631 1.563 106 HB3 ASP 16 3HB ASP 16 12.689 -7.245 1.012 107 HA PRO 17 HA PRO 17 11.429 -9.350 -0.178 108 HB2 PRO 17 2HB PRO 17 10.406 -10.982 -2.092 109 HB3 PRO 17 3HB PRO 17 10.707 -11.516 -0.435 110 HG2 PRO 17 2HG PRO 17 8.140 -10.648 -1.709 111 HG3 PRO 17 3HG PRO 17 8.442 -12.012 -0.615 112 HD2 PRO 17 2HD PRO 17 7.364 -9.676 0.230 113 HD3 PRO 17 3HD PRO 17 8.407 -10.676 1.263 114 H TYR 18 H TYR 18 8.661 -7.743 -1.336 115 HA TYR 18 HA TYR 18 9.035 -7.369 -4.015 116 HB2 TYR 18 2HB TYR 18 8.355 -5.103 -2.140 117 HB3 TYR 18 3HB TYR 18 7.852 -5.301 -3.815 118 HD1 TYR 18 HD1 TYR 18 7.170 -8.300 -3.533 119 HD2 TYR 18 HD2 TYR 18 6.153 -4.872 -1.228 120 HE1 TYR 18 HE1 TYR 18 5.111 -9.420 -2.786 121 HE2 TYR 18 HE2 TYR 18 4.093 -5.983 -0.472 122 HH TYR 18 HH TYR 18 2.824 -8.687 -1.928 123 H HIS 19 H HIS 19 10.984 -7.128 -4.932 124 HA HIS 19 HA HIS 19 12.796 -5.074 -3.859 125 HB2 HIS 19 2HB HIS 19 14.560 -6.216 -5.167 126 HB3 HIS 19 3HB HIS 19 13.797 -7.287 -3.996 127 HD1 HIS 19 HD1 HIS 19 12.615 -9.342 -4.885 128 HD2 HIS 19 HD2 HIS 19 13.885 -6.766 -7.888 129 HE1 HIS 19 HE1 HIS 19 12.298 -10.607 -7.036 130 H CYS 20 H CYS 20 13.430 -3.365 -5.074 131 HA CYS 20 HA CYS 20 11.860 -2.692 -7.365 132 HB2 CYS 20 2HB CYS 20 14.332 -1.255 -6.395 133 HB3 CYS 20 3HB CYS 20 12.993 -0.590 -7.326 134 H THR 21 H THR 21 12.528 -2.395 -9.496 135 HA THR 21 HA THR 21 14.678 -4.160 -10.326 136 HB THR 21 HB THR 21 13.861 -3.448 -12.664 137 HG1 THR 21 HG1 THR 21 12.532 -1.786 -12.475 138 HG21 THR 21 3HG2 THR 21 12.846 -5.426 -12.562 139 HG22 THR 21 1HG2 THR 21 11.513 -4.720 -11.649 140 HG23 THR 21 2HG2 THR 21 12.921 -5.358 -10.801 141 H GLN 22 H GLN 22 13.738 -0.788 -11.026 142 HA GLN 22 HA GLN 22 16.567 -0.059 -11.078 143 HB2 GLN 22 2HB GLN 22 14.631 0.536 -13.321 144 HB3 GLN 22 3HB GLN 22 16.237 1.235 -13.173 145 HG2 GLN 22 2HG GLN 22 15.577 -1.677 -13.547 146 HG3 GLN 22 3HG GLN 22 16.261 -0.586 -14.751 147 HE21 GLN 22 1HE2 GLN 22 18.121 0.746 -13.200 148 HE22 GLN 22 2HE2 GLN 22 19.357 -0.362 -12.723 149 HA PRO 23 HA PRO 23 13.802 2.956 -8.844 150 HB2 PRO 23 2HB PRO 23 15.285 3.014 -6.572 151 HB3 PRO 23 3HB PRO 23 14.005 1.828 -6.852 152 HG2 PRO 23 2HG PRO 23 16.967 1.531 -7.173 153 HG3 PRO 23 3HG PRO 23 15.800 0.402 -6.459 154 HD2 PRO 23 2HD PRO 23 16.752 0.113 -8.978 155 HD3 PRO 23 3HD PRO 23 15.112 -0.383 -8.515 156 H VAL 24 H VAL 24 16.993 2.772 -9.958 157 HA VAL 24 HA VAL 24 17.797 5.408 -9.067 158 HB VAL 24 HB VAL 24 19.506 3.687 -9.266 159 HG11 VAL 24 1HG1 VAL 24 19.726 3.579 -12.137 160 HG12 VAL 24 2HG1 VAL 24 19.625 2.261 -10.967 161 HG13 VAL 24 3HG1 VAL 24 18.150 2.991 -11.604 162 HG21 VAL 24 3HG2 VAL 24 20.093 5.589 -11.500 163 HG22 VAL 24 1HG2 VAL 24 19.888 6.185 -9.853 164 HG23 VAL 24 2HG2 VAL 24 21.154 5.012 -10.214 165 H ILE 25 H ILE 25 16.471 3.903 -11.928 166 HA ILE 25 HA ILE 25 16.439 6.541 -13.244 167 HB ILE 25 HB ILE 25 16.514 5.463 -15.397 168 HG12 ILE 25 2HG1 ILE 25 15.897 3.083 -13.806 169 HG13 ILE 25 3HG1 ILE 25 15.575 3.417 -15.505 170 HG21 ILE 25 1HG2 ILE 25 18.762 4.666 -15.389 171 HG22 ILE 25 2HG2 ILE 25 18.636 5.920 -14.157 172 HG23 ILE 25 3HG2 ILE 25 18.658 4.221 -13.685 173 HD11 ILE 25 3HD1 ILE 25 18.110 2.352 -14.295 174 HD12 ILE 25 1HD1 ILE 25 16.999 1.522 -15.384 175 HD13 ILE 25 2HD1 ILE 25 17.965 2.875 -15.973 176 H GLY 26 H GLY 26 14.492 5.030 -11.439 177 HA2 GLY 26 2HA GLY 26 12.177 5.259 -11.285 178 HA3 GLY 26 3HA GLY 26 12.134 5.716 -12.981 179 H GLY 27 H GLY 27 12.042 3.085 -10.706 180 HA2 GLY 27 2HA GLY 27 11.105 1.336 -12.887 181 HA3 GLY 27 3HA GLY 27 12.273 0.747 -11.713 182 H ILE 28 H ILE 28 10.700 -0.927 -11.267 183 HA ILE 28 HA ILE 28 8.767 -0.038 -9.250 184 HB ILE 28 HB ILE 28 7.137 -1.745 -10.091 185 HG12 ILE 28 2HG1 ILE 28 8.004 -1.735 -12.828 186 HG13 ILE 28 3HG1 ILE 28 9.292 -2.380 -11.816 187 HG21 ILE 28 1HG2 ILE 28 6.261 -0.322 -11.888 188 HG22 ILE 28 2HG2 ILE 28 6.807 0.625 -10.504 189 HG23 ILE 28 3HG2 ILE 28 7.804 0.529 -11.955 190 HD11 ILE 28 3HD1 ILE 28 6.460 -3.365 -11.679 191 HD12 ILE 28 1HD1 ILE 28 7.675 -4.056 -12.754 192 HD13 ILE 28 2HD1 ILE 28 7.909 -4.112 -11.006 193 H CYS 29 H CYS 29 7.818 -2.092 -8.128 194 HA CYS 29 HA CYS 29 10.113 -3.792 -7.443 195 HB2 CYS 29 2HB CYS 29 7.718 -2.829 -5.929 196 HB3 CYS 29 3HB CYS 29 8.488 -4.337 -5.443 197 H ALA 30 H ALA 30 9.758 -6.057 -7.031 198 HA ALA 30 HA ALA 30 7.353 -7.201 -8.253 199 HB1 ALA 30 1HB ALA 30 9.532 -8.843 -9.015 200 HB2 ALA 30 2HB ALA 30 8.428 -7.935 -10.048 201 HB3 ALA 30 3HB ALA 30 9.918 -7.184 -9.476 Start of MODEL 3 1 H1 CYS 1 H CYS 1 6.858 2.166 3.994 2 HA CYS 1 HA CYS 1 7.768 1.173 2.139 3 HB2 CYS 1 2HB CYS 1 7.521 -1.501 2.173 4 HB3 CYS 1 3HB CYS 1 8.819 -0.652 3.006 5 H ALA 2 H ALA 2 6.925 0.743 0.141 6 HA ALA 2 HA ALA 2 4.027 0.547 0.001 7 HB1 ALA 2 1HB ALA 2 5.193 2.252 -1.322 8 HB2 ALA 2 2HB ALA 2 6.038 0.980 -2.206 9 HB3 ALA 2 3HB ALA 2 4.287 1.135 -2.342 10 H GLN 3 H GLN 3 3.173 -0.790 -1.927 11 HA GLN 3 HA GLN 3 4.157 -3.509 -1.560 12 HB2 GLN 3 2HB GLN 3 1.594 -2.267 -2.307 13 HB3 GLN 3 3HB GLN 3 1.974 -3.747 -3.178 14 HG2 GLN 3 2HG GLN 3 2.290 -4.907 -1.038 15 HG3 GLN 3 3HG GLN 3 1.849 -3.427 -0.189 16 HE21 GLN 3 1HE2 GLN 3 0.442 -5.647 0.340 17 HE22 GLN 3 2HE2 GLN 3 -1.140 -5.551 -0.348 18 H LYS 4 H LYS 4 4.405 -4.950 -3.392 19 HA LYS 4 HA LYS 4 6.161 -4.046 -5.318 20 HB2 LYS 4 2HB LYS 4 5.374 -6.167 -6.599 21 HB3 LYS 4 3HB LYS 4 6.158 -6.352 -5.035 22 HG2 LYS 4 2HG LYS 4 4.279 -7.819 -5.117 23 HG3 LYS 4 3HG LYS 4 3.909 -6.510 -3.991 24 HD2 LYS 4 2HD LYS 4 3.101 -5.899 -6.717 25 HD3 LYS 4 3HD LYS 4 2.327 -7.357 -6.095 26 HE2 LYS 4 2HE LYS 4 2.287 -4.595 -4.895 27 HE3 LYS 4 3HE LYS 4 0.926 -5.500 -5.556 28 HZ1 LYS 4 3HZ LYS 4 1.827 -7.173 -3.667 29 HZ2 LYS 4 1HZ LYS 4 0.586 -6.048 -3.428 30 HZ3 LYS 4 2HZ LYS 4 2.165 -5.678 -2.952 31 H GLY 5 H GLY 5 5.640 -4.493 -7.801 32 HA2 GLY 5 2HA GLY 5 4.660 -3.638 -9.692 33 HA3 GLY 5 3HA GLY 5 3.131 -3.886 -8.862 34 H GLU 6 H GLU 6 5.348 -1.827 -7.270 35 HA GLU 6 HA GLU 6 3.805 0.514 -8.175 36 HB2 GLU 6 2HB GLU 6 3.874 1.412 -6.038 37 HB3 GLU 6 3HB GLU 6 3.691 -0.305 -5.711 38 HG2 GLU 6 2HG GLU 6 5.350 0.198 -4.242 39 HG3 GLU 6 3HG GLU 6 6.318 -0.238 -5.650 40 H TYR 7 H TYR 7 4.920 2.527 -8.370 41 HA TYR 7 HA TYR 7 7.437 2.306 -9.639 42 HB2 TYR 7 2HB TYR 7 5.513 4.115 -9.829 43 HB3 TYR 7 3HB TYR 7 6.477 4.940 -8.608 44 HD1 TYR 7 HD2 TYR 7 6.813 3.319 -11.953 45 HD2 TYR 7 HD1 TYR 7 8.214 6.320 -9.282 46 HE1 TYR 7 HE2 TYR 7 8.288 4.193 -13.717 47 HE2 TYR 7 HE1 TYR 7 9.691 7.204 -11.039 48 HH TYR 7 HH TYR 7 9.386 6.427 -14.257 49 H CYS 8 H CYS 8 9.300 1.939 -8.649 50 HA CYS 8 HA CYS 8 9.716 3.029 -5.949 51 HB2 CYS 8 2HB CYS 8 9.936 0.604 -6.092 52 HB3 CYS 8 3HB CYS 8 11.124 0.766 -7.382 53 H SER 9 H SER 9 11.522 4.239 -5.462 54 HA SER 9 HA SER 9 13.486 4.792 -7.534 55 HB2 SER 9 2HB SER 9 13.166 7.225 -7.414 56 HB3 SER 9 3HB SER 9 11.701 6.427 -7.989 57 HG SER 9 HG SER 9 11.140 7.927 -6.425 58 H VAL 10 H VAL 10 14.956 6.719 -6.549 59 HA VAL 10 HA VAL 10 16.330 5.594 -4.394 60 HB VAL 10 HB VAL 10 17.452 7.855 -4.216 61 HG11 VAL 10 1HG1 VAL 10 17.321 6.207 -6.698 62 HG12 VAL 10 2HG1 VAL 10 18.303 7.674 -6.685 63 HG13 VAL 10 3HG1 VAL 10 18.632 6.382 -5.530 64 HG21 VAL 10 3HG2 VAL 10 15.432 9.106 -5.042 65 HG22 VAL 10 1HG2 VAL 10 16.958 9.554 -5.804 66 HG23 VAL 10 2HG2 VAL 10 15.817 8.515 -6.658 67 H TYR 11 H TYR 11 13.539 7.585 -4.449 68 HA TYR 11 HA TYR 11 13.842 8.270 -1.612 69 HB2 TYR 11 2HB TYR 11 11.781 9.254 -3.594 70 HB3 TYR 11 3HB TYR 11 12.024 9.852 -1.957 71 HD1 TYR 11 HD2 TYR 11 14.473 10.728 -1.463 72 HD2 TYR 11 HD1 TYR 11 12.753 10.411 -5.342 73 HE1 TYR 11 HE2 TYR 11 16.078 12.391 -2.304 74 HE2 TYR 11 HE1 TYR 11 14.353 12.073 -6.194 75 HH TYR 11 HH TYR 11 16.221 14.023 -4.189 76 H LEU 12 H LEU 12 11.445 6.911 -3.865 77 HA LEU 12 HA LEU 12 9.895 5.861 -1.638 78 HB2 LEU 12 2HB LEU 12 9.479 5.899 -4.615 79 HB3 LEU 12 3HB LEU 12 8.422 5.005 -3.523 80 HG LEU 12 HG LEU 12 8.762 7.805 -2.763 81 HD11 LEU 12 1HD1 LEU 12 8.895 8.284 -5.073 82 HD12 LEU 12 2HD1 LEU 12 7.221 8.579 -4.605 83 HD13 LEU 12 3HD1 LEU 12 7.646 7.101 -5.466 84 HD21 LEU 12 3HD2 LEU 12 7.048 5.910 -2.095 85 HD22 LEU 12 1HD2 LEU 12 6.168 6.544 -3.487 86 HD23 LEU 12 2HD2 LEU 12 6.574 7.609 -2.140 87 H GLN 13 H GLN 13 9.964 3.820 -0.938 88 HA GLN 13 HA GLN 13 11.167 1.764 -2.652 89 HB2 GLN 13 2HB GLN 13 12.244 2.812 -0.156 90 HB3 GLN 13 3HB GLN 13 11.995 1.073 -0.095 91 HG2 GLN 13 2HG GLN 13 13.196 1.602 -2.574 92 HG3 GLN 13 3HG GLN 13 14.067 2.566 -1.383 93 HE21 GLN 13 1HE2 GLN 13 12.735 -0.698 -1.779 94 HE22 GLN 13 2HE2 GLN 13 14.067 -1.517 -1.045 95 H CYS 14 H CYS 14 10.727 -0.456 -1.857 96 HA CYS 14 HA CYS 14 8.105 -0.567 -0.514 97 HB2 CYS 14 2HB CYS 14 7.708 -2.650 -1.800 98 HB3 CYS 14 3HB CYS 14 7.933 -1.245 -2.839 99 H CYS 15 H CYS 15 7.741 -2.978 0.282 100 HA CYS 15 HA CYS 15 10.063 -3.614 1.974 101 HB2 CYS 15 2HB CYS 15 7.205 -3.406 2.490 102 HB3 CYS 15 3HB CYS 15 7.863 -4.946 3.034 103 H ASP 16 H ASP 16 10.860 -5.667 2.083 104 HA ASP 16 HA ASP 16 10.726 -7.342 -0.098 105 HB2 ASP 16 2HB ASP 16 11.220 -8.418 2.669 106 HB3 ASP 16 3HB ASP 16 11.962 -8.911 1.149 107 HA PRO 17 HA PRO 17 11.112 -9.754 -0.201 108 HB2 PRO 17 2HB PRO 17 9.984 -11.156 -2.234 109 HB3 PRO 17 3HB PRO 17 10.196 -11.821 -0.611 110 HG2 PRO 17 2HG PRO 17 7.752 -10.634 -1.866 111 HG3 PRO 17 3HG PRO 17 7.899 -12.087 -0.860 112 HD2 PRO 17 2HD PRO 17 7.027 -9.718 0.119 113 HD3 PRO 17 3HD PRO 17 7.947 -10.876 1.101 114 H TYR 18 H TYR 18 8.537 -7.818 -1.294 115 HA TYR 18 HA TYR 18 9.039 -7.318 -3.942 116 HB2 TYR 18 2HB TYR 18 8.447 -5.106 -1.980 117 HB3 TYR 18 3HB TYR 18 7.952 -5.224 -3.665 118 HD1 TYR 18 HD2 TYR 18 7.056 -8.153 -3.531 119 HD2 TYR 18 HD1 TYR 18 6.287 -4.802 -1.026 120 HE1 TYR 18 HE2 TYR 18 4.927 -9.169 -2.837 121 HE2 TYR 18 HE1 TYR 18 4.156 -5.808 -0.324 122 HH TYR 18 HH TYR 18 2.594 -7.423 -0.929 123 H HIS 19 H HIS 19 10.819 -6.771 -4.992 124 HA HIS 19 HA HIS 19 12.767 -5.013 -3.650 125 HB2 HIS 19 2HB HIS 19 14.543 -6.182 -4.921 126 HB3 HIS 19 3HB HIS 19 13.689 -7.256 -3.817 127 HD1 HIS 19 HD1 HIS 19 12.460 -9.231 -4.821 128 HD2 HIS 19 HD2 HIS 19 13.973 -6.626 -7.682 129 HE1 HIS 19 HE1 HIS 19 12.190 -10.418 -7.022 130 H CYS 20 H CYS 20 13.529 -3.294 -4.774 131 HA CYS 20 HA CYS 20 12.091 -2.461 -7.093 132 HB2 CYS 20 2HB CYS 20 14.584 -1.233 -5.900 133 HB3 CYS 20 3HB CYS 20 13.439 -0.449 -6.983 134 H THR 21 H THR 21 12.779 -2.244 -9.200 135 HA THR 21 HA THR 21 14.931 -4.028 -9.990 136 HB THR 21 HB THR 21 14.143 -3.401 -12.337 137 HG1 THR 21 HG1 THR 21 11.806 -2.623 -12.092 138 HG21 THR 21 3HG2 THR 21 13.100 -5.190 -10.419 139 HG22 THR 21 1HG2 THR 21 13.023 -5.319 -12.175 140 HG23 THR 21 2HG2 THR 21 11.723 -4.519 -11.292 141 H GLN 22 H GLN 22 13.986 -0.697 -10.870 142 HA GLN 22 HA GLN 22 16.799 0.082 -10.794 143 HB2 GLN 22 2HB GLN 22 15.009 0.510 -13.192 144 HB3 GLN 22 3HB GLN 22 16.605 1.220 -12.985 145 HG2 GLN 22 2HG GLN 22 17.674 -0.860 -13.166 146 HG3 GLN 22 3HG GLN 22 16.166 -1.745 -12.940 147 HE21 GLN 22 1HE2 GLN 22 18.115 -1.945 -15.085 148 HE22 GLN 22 2HE2 GLN 22 17.262 -1.603 -16.548 149 HA PRO 23 HA PRO 23 13.910 3.184 -8.901 150 HB2 PRO 23 2HB PRO 23 15.376 3.518 -6.640 151 HB3 PRO 23 3HB PRO 23 14.155 2.251 -6.817 152 HG2 PRO 23 2HG PRO 23 17.129 2.069 -7.104 153 HG3 PRO 23 3HG PRO 23 16.014 0.954 -6.294 154 HD2 PRO 23 2HD PRO 23 16.993 0.487 -8.775 155 HD3 PRO 23 3HD PRO 23 15.376 -0.044 -8.272 156 H VAL 24 H VAL 24 17.120 3.055 -9.977 157 HA VAL 24 HA VAL 24 17.811 5.781 -9.315 158 HB VAL 24 HB VAL 24 19.594 4.141 -9.416 159 HG11 VAL 24 1HG1 VAL 24 18.224 3.115 -11.582 160 HG12 VAL 24 2HG1 VAL 24 19.680 3.807 -12.302 161 HG13 VAL 24 3HG1 VAL 24 19.815 2.604 -11.018 162 HG21 VAL 24 3HG2 VAL 24 21.150 5.474 -10.460 163 HG22 VAL 24 1HG2 VAL 24 20.098 5.808 -11.836 164 HG23 VAL 24 2HG2 VAL 24 19.808 6.605 -10.290 165 H ILE 25 H ILE 25 16.580 4.006 -12.076 166 HA ILE 25 HA ILE 25 16.412 6.541 -13.572 167 HB ILE 25 HB ILE 25 16.391 5.230 -15.637 168 HG12 ILE 25 2HG1 ILE 25 16.148 3.013 -13.733 169 HG13 ILE 25 3HG1 ILE 25 15.656 3.107 -15.420 170 HG21 ILE 25 1HG2 ILE 25 18.707 4.677 -15.698 171 HG22 ILE 25 2HG2 ILE 25 18.521 6.044 -14.600 172 HG23 ILE 25 3HG2 ILE 25 18.751 4.420 -13.953 173 HD11 ILE 25 3HD1 ILE 25 18.056 2.766 -16.037 174 HD12 ILE 25 1HD1 ILE 25 18.374 2.436 -14.334 175 HD13 ILE 25 2HD1 ILE 25 17.280 1.395 -15.246 176 H GLY 26 H GLY 26 14.533 5.189 -11.606 177 HA2 GLY 26 2HA GLY 26 12.223 5.335 -11.412 178 HA3 GLY 26 3HA GLY 26 12.131 5.700 -13.129 179 H GLY 27 H GLY 27 12.319 3.141 -10.739 180 HA2 GLY 27 2HA GLY 27 11.386 1.258 -12.817 181 HA3 GLY 27 3HA GLY 27 12.497 0.780 -11.542 182 H ILE 28 H ILE 28 10.951 -0.882 -11.019 183 HA ILE 28 HA ILE 28 8.948 0.097 -9.135 184 HB ILE 28 HB ILE 28 7.313 -1.628 -9.996 185 HG12 ILE 28 2HG1 ILE 28 8.269 -1.517 -12.722 186 HG13 ILE 28 3HG1 ILE 28 9.470 -2.269 -11.678 187 HG21 ILE 28 1HG2 ILE 28 8.048 0.837 -11.535 188 HG22 ILE 28 2HG2 ILE 28 6.654 -0.142 -11.985 189 HG23 ILE 28 3HG2 ILE 28 6.733 0.597 -10.386 190 HD11 ILE 28 3HD1 ILE 28 6.917 -3.280 -12.625 191 HD12 ILE 28 1HD1 ILE 28 8.324 -4.145 -12.009 192 HD13 ILE 28 2HD1 ILE 28 7.140 -3.474 -10.886 193 H CYS 29 H CYS 29 7.912 -1.908 -8.000 194 HA CYS 29 HA CYS 29 10.141 -3.641 -7.205 195 HB2 CYS 29 2HB CYS 29 7.611 -2.784 -5.814 196 HB3 CYS 29 3HB CYS 29 8.575 -4.135 -5.228 197 H ALA 30 H ALA 30 9.840 -5.889 -6.930 198 HA ALA 30 HA ALA 30 7.585 -6.990 -8.478 199 HB1 ALA 30 1HB ALA 30 9.392 -7.533 -9.790 200 HB2 ALA 30 2HB ALA 30 10.475 -7.721 -8.411 201 HB3 ALA 30 3HB ALA 30 9.274 -8.963 -8.766 Start of MODEL 4 1 H1 CYS 1 H CYS 1 6.589 2.687 3.514 2 HA CYS 1 HA CYS 1 8.277 1.563 2.058 3 HB2 CYS 1 2HB CYS 1 7.629 -0.974 1.815 4 HB3 CYS 1 3HB CYS 1 8.705 -0.451 3.106 5 H ALA 2 H ALA 2 7.551 0.160 0.041 6 HA ALA 2 HA ALA 2 4.861 1.097 -0.722 7 HB1 ALA 2 1HB ALA 2 6.731 2.287 -1.851 8 HB2 ALA 2 2HB ALA 2 7.214 0.752 -2.572 9 HB3 ALA 2 3HB ALA 2 5.642 1.451 -2.959 10 H GLN 3 H GLN 3 3.756 -0.198 -2.350 11 HA GLN 3 HA GLN 3 4.169 -3.034 -1.860 12 HB2 GLN 3 2HB GLN 3 1.931 -1.336 -2.792 13 HB3 GLN 3 3HB GLN 3 1.997 -2.960 -3.464 14 HG2 GLN 3 2HG GLN 3 2.059 -3.871 -1.173 15 HG3 GLN 3 3HG GLN 3 1.891 -2.231 -0.546 16 HE21 GLN 3 1HE2 GLN 3 -0.029 -3.002 0.495 17 HE22 GLN 3 2HE2 GLN 3 -1.508 -3.116 -0.390 18 H LYS 4 H LYS 4 4.363 -4.593 -3.509 19 HA LYS 4 HA LYS 4 6.162 -4.029 -5.538 20 HB2 LYS 4 2HB LYS 4 5.966 -6.240 -6.160 21 HB3 LYS 4 3HB LYS 4 5.332 -6.301 -4.521 22 HG2 LYS 4 2HG LYS 4 3.402 -5.819 -6.718 23 HG3 LYS 4 3HG LYS 4 4.091 -7.437 -6.565 24 HD2 LYS 4 2HD LYS 4 2.274 -7.660 -5.195 25 HD3 LYS 4 3HD LYS 4 3.459 -7.080 -4.023 26 HE2 LYS 4 2HE LYS 4 2.435 -4.752 -5.055 27 HE3 LYS 4 3HE LYS 4 1.027 -5.811 -5.025 28 HZ1 LYS 4 3HZ LYS 4 2.669 -4.847 -2.784 29 HZ2 LYS 4 1HZ LYS 4 1.842 -6.315 -2.635 30 HZ3 LYS 4 2HZ LYS 4 0.985 -4.889 -2.937 31 H GLY 5 H GLY 5 5.616 -4.660 -7.945 32 HA2 GLY 5 2HA GLY 5 4.709 -3.879 -9.905 33 HA3 GLY 5 3HA GLY 5 3.164 -4.159 -9.117 34 H GLU 6 H GLU 6 5.356 -1.895 -7.700 35 HA GLU 6 HA GLU 6 3.842 0.341 -8.867 36 HB2 GLU 6 2HB GLU 6 4.627 0.138 -5.957 37 HB3 GLU 6 3HB GLU 6 3.699 1.427 -6.710 38 HG2 GLU 6 2HG GLU 6 2.481 -1.154 -7.152 39 HG3 GLU 6 3HG GLU 6 2.704 -0.822 -5.437 40 H TYR 7 H TYR 7 4.938 2.443 -8.631 41 HA TYR 7 HA TYR 7 7.531 2.402 -9.615 42 HB2 TYR 7 2HB TYR 7 6.008 4.331 -9.820 43 HB3 TYR 7 3HB TYR 7 6.181 4.646 -8.097 44 HD1 TYR 7 HD2 TYR 7 8.295 5.518 -7.199 45 HD2 TYR 7 HD1 TYR 7 7.741 4.935 -11.378 46 HE1 TYR 7 HE2 TYR 7 10.253 6.936 -7.651 47 HE2 TYR 7 HE1 TYR 7 9.698 6.349 -11.841 48 HH TYR 7 HH TYR 7 10.898 8.395 -10.293 49 H CYS 8 H CYS 8 9.554 2.872 -8.716 50 HA CYS 8 HA CYS 8 9.786 2.943 -5.808 51 HB2 CYS 8 2HB CYS 8 9.898 0.579 -6.228 52 HB3 CYS 8 3HB CYS 8 11.031 0.815 -7.555 53 H SER 9 H SER 9 11.598 3.986 -5.070 54 HA SER 9 HA SER 9 13.860 4.550 -6.711 55 HB2 SER 9 2HB SER 9 13.577 6.914 -7.031 56 HB3 SER 9 3HB SER 9 12.130 6.122 -7.655 57 HG SER 9 HG SER 9 11.926 8.048 -6.174 58 H VAL 10 H VAL 10 15.151 6.469 -5.585 59 HA VAL 10 HA VAL 10 15.971 5.591 -3.105 60 HB VAL 10 HB VAL 10 16.918 7.929 -2.799 61 HG11 VAL 10 1HG1 VAL 10 18.440 6.447 -3.680 62 HG12 VAL 10 2HG1 VAL 10 17.469 6.137 -5.120 63 HG13 VAL 10 3HG1 VAL 10 18.358 7.653 -4.964 64 HG21 VAL 10 3HG2 VAL 10 16.267 9.618 -4.098 65 HG22 VAL 10 1HG2 VAL 10 16.519 8.668 -5.563 66 HG23 VAL 10 2HG2 VAL 10 14.985 8.568 -4.699 67 H TYR 11 H TYR 11 13.380 7.800 -3.905 68 HA TYR 11 HA TYR 11 12.950 8.504 -1.115 69 HB2 TYR 11 2HB TYR 11 11.237 9.273 -3.478 70 HB3 TYR 11 3HB TYR 11 11.321 10.060 -1.906 71 HD1 TYR 11 HD1 TYR 11 13.878 10.786 -1.300 72 HD2 TYR 11 HD2 TYR 11 12.243 10.401 -5.209 73 HE1 TYR 11 HE1 TYR 11 15.589 12.328 -2.161 74 HE2 TYR 11 HE2 TYR 11 13.950 11.941 -6.081 75 HH TYR 11 HH TYR 11 15.491 13.537 -5.439 76 H LEU 12 H LEU 12 11.462 6.585 -3.662 77 HA LEU 12 HA LEU 12 9.243 5.833 -1.939 78 HB2 LEU 12 2HB LEU 12 9.815 5.786 -4.778 79 HB3 LEU 12 3HB LEU 12 9.154 4.251 -4.220 80 HG LEU 12 HG LEU 12 7.503 6.213 -3.104 81 HD11 LEU 12 1HD1 LEU 12 7.147 7.867 -4.577 82 HD12 LEU 12 2HD1 LEU 12 7.392 6.819 -5.974 83 HD13 LEU 12 3HD1 LEU 12 8.782 7.493 -5.123 84 HD21 LEU 12 3HD2 LEU 12 7.064 3.887 -4.121 85 HD22 LEU 12 1HD2 LEU 12 6.879 4.753 -5.645 86 HD23 LEU 12 2HD2 LEU 12 5.820 5.126 -4.285 87 H GLN 13 H GLN 13 10.202 4.631 -0.308 88 HA GLN 13 HA GLN 13 12.026 2.510 -0.781 89 HB2 GLN 13 2HB GLN 13 10.811 3.781 1.483 90 HB3 GLN 13 3HB GLN 13 10.663 2.038 1.653 91 HG2 GLN 13 2HG GLN 13 13.299 2.610 0.782 92 HG3 GLN 13 3HG GLN 13 12.919 3.682 2.129 93 HE21 GLN 13 1HE2 GLN 13 13.380 0.402 1.114 94 HE22 GLN 13 2HE2 GLN 13 13.438 -0.297 2.693 95 H CYS 14 H CYS 14 11.669 0.244 -0.520 96 HA CYS 14 HA CYS 14 8.904 -0.597 -1.098 97 HB2 CYS 14 2HB CYS 14 10.687 -0.709 -2.998 98 HB3 CYS 14 3HB CYS 14 11.283 -2.114 -2.122 99 H CYS 15 H CYS 15 8.136 -2.386 -0.056 100 HA CYS 15 HA CYS 15 9.763 -3.357 2.170 101 HB2 CYS 15 2HB CYS 15 6.961 -2.816 1.777 102 HB3 CYS 15 3HB CYS 15 7.181 -4.483 2.299 103 H ASP 16 H ASP 16 10.878 -5.162 1.886 104 HA ASP 16 HA ASP 16 10.737 -6.893 -0.253 105 HB2 ASP 16 2HB ASP 16 12.013 -6.883 2.367 106 HB3 ASP 16 3HB ASP 16 11.598 -8.510 1.834 107 HA PRO 17 HA PRO 17 11.413 -9.329 -0.125 108 HB2 PRO 17 2HB PRO 17 10.397 -11.021 -1.987 109 HB3 PRO 17 3HB PRO 17 10.694 -11.502 -0.313 110 HG2 PRO 17 2HG PRO 17 8.129 -10.680 -1.620 111 HG3 PRO 17 3HG PRO 17 8.430 -12.008 -0.484 112 HD2 PRO 17 2HD PRO 17 7.347 -9.648 0.286 113 HD3 PRO 17 3HD PRO 17 8.389 -10.613 1.351 114 H TYR 18 H TYR 18 8.660 -7.739 -1.321 115 HA TYR 18 HA TYR 18 9.013 -7.455 -4.012 116 HB2 TYR 18 2HB TYR 18 8.393 -5.110 -2.214 117 HB3 TYR 18 3HB TYR 18 7.856 -5.371 -3.870 118 HD1 TYR 18 HD2 TYR 18 7.135 -8.344 -3.452 119 HD2 TYR 18 HD1 TYR 18 6.219 -4.811 -1.264 120 HE1 TYR 18 HE2 TYR 18 5.077 -9.401 -2.618 121 HE2 TYR 18 HE1 TYR 18 4.159 -5.860 -0.422 122 HH TYR 18 HH TYR 18 3.436 -9.238 -1.030 123 H HIS 19 H HIS 19 10.945 -7.261 -4.969 124 HA HIS 19 HA HIS 19 12.822 -5.237 -3.964 125 HB2 HIS 19 2HB HIS 19 14.533 -6.418 -5.280 126 HB3 HIS 19 3HB HIS 19 13.741 -7.497 -4.136 127 HD1 HIS 19 HD1 HIS 19 12.605 -9.536 -5.071 128 HD2 HIS 19 HD2 HIS 19 13.731 -6.832 -8.018 129 HE1 HIS 19 HE1 HIS 19 12.221 -10.723 -7.256 130 H CYS 20 H CYS 20 13.501 -3.562 -5.215 131 HA CYS 20 HA CYS 20 11.876 -2.861 -7.470 132 HB2 CYS 20 2HB CYS 20 14.374 -1.450 -6.528 133 HB3 CYS 20 3HB CYS 20 13.040 -0.771 -7.455 134 H THR 21 H THR 21 12.494 -2.614 -9.613 135 HA THR 21 HA THR 21 14.514 -4.448 -10.517 136 HB THR 21 HB THR 21 13.831 -3.430 -12.816 137 HG1 THR 21 HG1 THR 21 12.324 -1.951 -12.745 138 HG21 THR 21 3HG2 THR 21 12.631 -5.303 -12.962 139 HG22 THR 21 1HG2 THR 21 11.400 -4.659 -11.878 140 HG23 THR 21 2HG2 THR 21 12.809 -5.493 -11.219 141 H GLN 22 H GLN 22 13.997 -0.939 -10.895 142 HA GLN 22 HA GLN 22 16.894 -0.567 -10.935 143 HB2 GLN 22 2HB GLN 22 15.006 0.196 -13.139 144 HB3 GLN 22 3HB GLN 22 16.471 1.126 -12.861 145 HG2 GLN 22 2HG GLN 22 17.720 -0.386 -13.889 146 HG3 GLN 22 3HG GLN 22 17.039 -1.697 -12.926 147 HE21 GLN 22 1HE2 GLN 22 14.468 -1.781 -13.641 148 HE22 GLN 22 2HE2 GLN 22 14.301 -2.124 -15.327 149 HA PRO 23 HA PRO 23 14.711 2.513 -8.274 150 HB2 PRO 23 2HB PRO 23 16.526 2.381 -6.259 151 HB3 PRO 23 3HB PRO 23 15.163 1.264 -6.399 152 HG2 PRO 23 2HG PRO 23 18.025 0.873 -7.189 153 HG3 PRO 23 3HG PRO 23 16.929 -0.250 -6.364 154 HD2 PRO 23 2HD PRO 23 17.471 -0.426 -9.011 155 HD3 PRO 23 3HD PRO 23 15.900 -0.887 -8.325 156 H VAL 24 H VAL 24 15.829 3.563 -10.379 157 HA VAL 24 HA VAL 24 17.301 5.795 -9.387 158 HB VAL 24 HB VAL 24 19.078 3.982 -9.668 159 HG11 VAL 24 1HG1 VAL 24 18.949 4.637 -12.585 160 HG12 VAL 24 2HG1 VAL 24 19.759 3.294 -11.774 161 HG13 VAL 24 3HG1 VAL 24 18.001 3.303 -11.926 162 HG21 VAL 24 3HG2 VAL 24 19.369 6.537 -9.637 163 HG22 VAL 24 1HG2 VAL 24 20.695 5.556 -10.263 164 HG23 VAL 24 2HG2 VAL 24 19.612 6.388 -11.378 165 H ILE 25 H ILE 25 16.167 3.923 -12.136 166 HA ILE 25 HA ILE 25 15.906 6.398 -13.702 167 HB ILE 25 HB ILE 25 15.652 4.984 -15.671 168 HG12 ILE 25 2HG1 ILE 25 15.515 2.853 -13.612 169 HG13 ILE 25 3HG1 ILE 25 14.685 2.979 -15.160 170 HG21 ILE 25 1HG2 ILE 25 17.923 5.642 -14.661 171 HG22 ILE 25 2HG2 ILE 25 18.052 3.942 -14.210 172 HG23 ILE 25 3HG2 ILE 25 17.894 4.395 -15.907 173 HD11 ILE 25 3HD1 ILE 25 16.112 1.163 -15.409 174 HD12 ILE 25 1HD1 ILE 25 16.962 2.487 -16.207 175 HD13 ILE 25 2HD1 ILE 25 17.444 1.978 -14.588 176 H GLY 26 H GLY 26 14.117 5.069 -11.529 177 HA2 GLY 26 2HA GLY 26 11.844 5.373 -11.134 178 HA3 GLY 26 3HA GLY 26 11.634 5.793 -12.828 179 H GLY 27 H GLY 27 12.739 2.905 -11.038 180 HA2 GLY 27 2HA GLY 27 11.232 1.236 -12.904 181 HA3 GLY 27 3HA GLY 27 12.408 0.676 -11.725 182 H ILE 28 H ILE 28 10.714 -0.959 -11.327 183 HA ILE 28 HA ILE 28 8.899 -0.001 -9.233 184 HB ILE 28 HB ILE 28 7.169 -1.634 -10.056 185 HG12 ILE 28 2HG1 ILE 28 8.064 -1.509 -12.819 186 HG13 ILE 28 3HG1 ILE 28 9.205 -2.386 -11.806 187 HG21 ILE 28 1HG2 ILE 28 6.981 0.057 -12.274 188 HG22 ILE 28 2HG2 ILE 28 6.250 0.287 -10.686 189 HG23 ILE 28 3HG2 ILE 28 7.830 0.987 -11.038 190 HD11 ILE 28 3HD1 ILE 28 7.916 -4.164 -12.044 191 HD12 ILE 28 1HD1 ILE 28 6.697 -3.343 -11.070 192 HD13 ILE 28 2HD1 ILE 28 6.654 -3.214 -12.829 193 H CYS 29 H CYS 29 7.877 -2.014 -8.105 194 HA CYS 29 HA CYS 29 10.102 -3.819 -7.478 195 HB2 CYS 29 2HB CYS 29 7.710 -2.856 -5.950 196 HB3 CYS 29 3HB CYS 29 8.495 -4.361 -5.484 197 H ALA 30 H ALA 30 9.622 -6.083 -7.037 198 HA ALA 30 HA ALA 30 7.199 -7.132 -8.288 199 HB1 ALA 30 1HB ALA 30 8.761 -7.092 -10.117 200 HB2 ALA 30 2HB ALA 30 9.983 -7.907 -9.141 201 HB3 ALA 30 3HB ALA 30 8.513 -8.762 -9.608 Start of MODEL 5 1 H1 CYS 1 H CYS 1 5.275 1.771 3.528 2 HA CYS 1 HA CYS 1 7.486 1.296 2.044 3 HB2 CYS 1 2HB CYS 1 7.123 -1.391 1.982 4 HB3 CYS 1 3HB CYS 1 8.356 -0.590 2.950 5 H ALA 2 H ALA 2 6.947 1.046 -0.067 6 HA ALA 2 HA ALA 2 4.167 1.071 -0.749 7 HB1 ALA 2 1HB ALA 2 5.171 1.023 -3.133 8 HB2 ALA 2 2HB ALA 2 5.433 2.443 -2.119 9 HB3 ALA 2 3HB ALA 2 6.714 1.245 -2.307 10 H GLN 3 H GLN 3 3.322 -0.345 -2.538 11 HA GLN 3 HA GLN 3 3.911 -3.124 -1.868 12 HB2 GLN 3 2HB GLN 3 1.580 -1.652 -2.924 13 HB3 GLN 3 3HB GLN 3 1.815 -3.262 -3.589 14 HG2 GLN 3 2HG GLN 3 1.853 -4.172 -1.302 15 HG3 GLN 3 3HG GLN 3 1.532 -2.555 -0.678 16 HE21 GLN 3 1HE2 GLN 3 -0.419 -1.494 -1.818 17 HE22 GLN 3 2HE2 GLN 3 -1.827 -2.488 -1.943 18 H LYS 4 H LYS 4 4.221 -4.729 -3.489 19 HA LYS 4 HA LYS 4 6.110 -4.131 -5.421 20 HB2 LYS 4 2HB LYS 4 6.043 -6.355 -5.992 21 HB3 LYS 4 3HB LYS 4 5.260 -6.418 -4.418 22 HG2 LYS 4 2HG LYS 4 3.508 -6.010 -6.765 23 HG3 LYS 4 3HG LYS 4 4.259 -7.598 -6.584 24 HD2 LYS 4 2HD LYS 4 2.342 -7.920 -5.372 25 HD3 LYS 4 3HD LYS 4 3.415 -7.333 -4.098 26 HE2 LYS 4 2HE LYS 4 2.371 -5.019 -5.174 27 HE3 LYS 4 3HE LYS 4 1.009 -6.136 -5.219 28 HZ1 LYS 4 3HZ LYS 4 2.493 -5.114 -2.897 29 HZ2 LYS 4 1HZ LYS 4 1.739 -6.624 -2.794 30 HZ3 LYS 4 2HZ LYS 4 0.822 -5.242 -3.130 31 H GLY 5 H GLY 5 5.741 -4.786 -7.845 32 HA2 GLY 5 2HA GLY 5 4.933 -4.038 -9.862 33 HA3 GLY 5 3HA GLY 5 3.357 -4.412 -9.181 34 H GLU 6 H GLU 6 5.321 -2.025 -7.629 35 HA GLU 6 HA GLU 6 3.700 0.109 -8.850 36 HB2 GLU 6 2HB GLU 6 3.030 -0.598 -6.473 37 HB3 GLU 6 3HB GLU 6 4.542 0.138 -5.960 38 HG2 GLU 6 2HG GLU 6 3.731 2.205 -6.140 39 HG3 GLU 6 3HG GLU 6 2.945 1.864 -7.680 40 H TYR 7 H TYR 7 4.663 2.306 -8.486 41 HA TYR 7 HA TYR 7 7.239 2.438 -9.538 42 HB2 TYR 7 2HB TYR 7 5.585 4.270 -9.675 43 HB3 TYR 7 3HB TYR 7 5.790 4.571 -7.953 44 HD1 TYR 7 HD1 TYR 7 7.783 4.383 -11.105 45 HD2 TYR 7 HD2 TYR 7 7.324 6.167 -7.270 46 HE1 TYR 7 HE1 TYR 7 9.642 5.916 -11.602 47 HE2 TYR 7 HE2 TYR 7 9.180 7.706 -7.757 48 HH TYR 7 HH TYR 7 10.260 8.669 -9.896 49 H CYS 8 H CYS 8 9.253 2.801 -8.678 50 HA CYS 8 HA CYS 8 9.580 3.095 -5.809 51 HB2 CYS 8 2HB CYS 8 9.521 0.745 -5.805 52 HB3 CYS 8 3HB CYS 8 10.400 0.631 -7.326 53 H SER 9 H SER 9 10.946 4.741 -5.671 54 HA SER 9 HA SER 9 13.157 4.905 -7.609 55 HB2 SER 9 2HB SER 9 13.111 7.258 -7.426 56 HB3 SER 9 3HB SER 9 11.412 6.791 -7.479 57 HG SER 9 HG SER 9 12.016 8.335 -5.798 58 H VAL 10 H VAL 10 15.089 6.168 -6.666 59 HA VAL 10 HA VAL 10 16.298 4.658 -4.683 60 HB VAL 10 HB VAL 10 17.895 6.613 -4.446 61 HG11 VAL 10 1HG1 VAL 10 17.784 4.682 -6.279 62 HG12 VAL 10 2HG1 VAL 10 17.621 6.077 -7.346 63 HG13 VAL 10 3HG1 VAL 10 19.028 5.932 -6.293 64 HG21 VAL 10 3HG2 VAL 10 17.685 8.472 -5.953 65 HG22 VAL 10 1HG2 VAL 10 16.233 7.779 -6.675 66 HG23 VAL 10 2HG2 VAL 10 16.202 8.350 -5.006 67 H TYR 11 H TYR 11 14.125 7.337 -4.392 68 HA TYR 11 HA TYR 11 14.764 7.772 -1.588 69 HB2 TYR 11 2HB TYR 11 12.596 9.042 -3.270 70 HB3 TYR 11 3HB TYR 11 13.141 9.578 -1.685 71 HD1 TYR 11 HD1 TYR 11 15.815 9.982 -1.609 72 HD2 TYR 11 HD2 TYR 11 13.362 10.246 -5.075 73 HE1 TYR 11 HE1 TYR 11 17.484 11.443 -2.672 74 HE2 TYR 11 HE2 TYR 11 15.025 11.706 -6.148 75 HH TYR 11 HH TYR 11 16.928 12.827 -5.893 76 H LEU 12 H LEU 12 11.876 6.887 -3.483 77 HA LEU 12 HA LEU 12 10.664 5.782 -1.059 78 HB2 LEU 12 2HB LEU 12 8.612 5.636 -2.425 79 HB3 LEU 12 3HB LEU 12 9.255 7.273 -2.295 80 HG LEU 12 HG LEU 12 10.366 6.288 -4.643 81 HD11 LEU 12 1HD1 LEU 12 8.343 4.557 -4.145 82 HD12 LEU 12 2HD1 LEU 12 8.914 4.989 -5.757 83 HD13 LEU 12 3HD1 LEU 12 7.503 5.799 -5.075 84 HD21 LEU 12 3HD2 LEU 12 8.773 7.868 -5.712 85 HD22 LEU 12 1HD2 LEU 12 9.631 8.551 -4.331 86 HD23 LEU 12 2HD2 LEU 12 7.954 8.032 -4.158 87 H GLN 13 H GLN 13 10.730 3.678 -0.664 88 HA GLN 13 HA GLN 13 11.113 1.833 -2.930 89 HB2 GLN 13 2HB GLN 13 12.430 0.393 -1.473 90 HB3 GLN 13 3HB GLN 13 13.139 2.001 -1.544 91 HG2 GLN 13 2HG GLN 13 12.608 2.487 0.627 92 HG3 GLN 13 3HG GLN 13 11.244 1.371 0.658 93 HE21 GLN 13 1HE2 GLN 13 12.262 -0.973 -0.080 94 HE22 GLN 13 2HE2 GLN 13 13.497 -1.493 1.010 95 H CYS 14 H CYS 14 10.741 -0.558 -1.764 96 HA CYS 14 HA CYS 14 8.025 -0.396 -0.631 97 HB2 CYS 14 2HB CYS 14 7.557 -2.542 -1.808 98 HB3 CYS 14 3HB CYS 14 7.879 -1.202 -2.903 99 H CYS 15 H CYS 15 7.519 -2.884 0.122 100 HA CYS 15 HA CYS 15 9.601 -3.433 2.123 101 HB2 CYS 15 2HB CYS 15 6.714 -3.292 2.232 102 HB3 CYS 15 3HB CYS 15 7.283 -4.855 2.808 103 H ASP 16 H ASP 16 10.615 -5.348 2.192 104 HA ASP 16 HA ASP 16 10.718 -7.074 0.054 105 HB2 ASP 16 2HB ASP 16 11.527 -8.766 1.916 106 HB3 ASP 16 3HB ASP 16 12.500 -7.363 1.480 107 HA PRO 17 HA PRO 17 11.359 -9.482 0.148 108 HB2 PRO 17 2HB PRO 17 10.519 -11.104 -1.860 109 HB3 PRO 17 3HB PRO 17 10.666 -11.647 -0.185 110 HG2 PRO 17 2HG PRO 17 8.227 -10.775 -1.686 111 HG3 PRO 17 3HG PRO 17 8.428 -12.143 -0.577 112 HD2 PRO 17 2HD PRO 17 7.274 -9.813 0.179 113 HD3 PRO 17 3HD PRO 17 8.218 -10.817 1.297 114 H TYR 18 H TYR 18 8.714 -7.860 -1.244 115 HA TYR 18 HA TYR 18 9.348 -7.476 -3.879 116 HB2 TYR 18 2HB TYR 18 8.456 -5.219 -2.087 117 HB3 TYR 18 3HB TYR 18 8.106 -5.444 -3.797 118 HD1 TYR 18 HD2 TYR 18 7.437 -8.440 -3.563 119 HD2 TYR 18 HD1 TYR 18 6.193 -5.027 -1.348 120 HE1 TYR 18 HE2 TYR 18 5.340 -9.586 -2.986 121 HE2 TYR 18 HE1 TYR 18 4.092 -6.165 -0.762 122 HH TYR 18 HH TYR 18 3.615 -9.422 -1.088 123 H HIS 19 H HIS 19 11.084 -6.762 -4.905 124 HA HIS 19 HA HIS 19 12.843 -4.836 -3.534 125 HB2 HIS 19 2HB HIS 19 14.763 -5.893 -4.641 126 HB3 HIS 19 3HB HIS 19 13.904 -7.046 -3.625 127 HD1 HIS 19 HD1 HIS 19 12.610 -8.951 -4.825 128 HD2 HIS 19 HD2 HIS 19 14.739 -6.453 -7.372 129 HE1 HIS 19 HE1 HIS 19 12.674 -10.144 -7.038 130 H CYS 20 H CYS 20 13.719 -3.184 -4.756 131 HA CYS 20 HA CYS 20 12.214 -2.306 -6.978 132 HB2 CYS 20 2HB CYS 20 13.805 -1.052 -5.213 133 HB3 CYS 20 3HB CYS 20 14.932 -1.184 -6.560 134 H THR 21 H THR 21 12.876 -1.985 -9.152 135 HA THR 21 HA THR 21 14.790 -4.017 -10.073 136 HB THR 21 HB THR 21 13.659 -3.602 -12.332 137 HG1 THR 21 HG1 THR 21 11.527 -2.718 -12.132 138 HG21 THR 21 3HG2 THR 21 12.720 -5.552 -11.812 139 HG22 THR 21 1HG2 THR 21 11.441 -4.698 -10.950 140 HG23 THR 21 2HG2 THR 21 12.900 -5.200 -10.094 141 H GLN 22 H GLN 22 14.206 -0.628 -9.926 142 HA GLN 22 HA GLN 22 16.789 0.079 -10.715 143 HB2 GLN 22 2HB GLN 22 16.223 1.222 -12.890 144 HB3 GLN 22 3HB GLN 22 16.263 -0.535 -12.952 145 HG2 GLN 22 2HG GLN 22 13.699 -0.312 -12.501 146 HG3 GLN 22 3HG GLN 22 13.939 1.317 -13.128 147 HE21 GLN 22 1HE2 GLN 22 12.817 1.047 -15.003 148 HE22 GLN 22 2HE2 GLN 22 13.327 -0.000 -16.279 149 HA PRO 23 HA PRO 23 14.234 3.265 -8.531 150 HB2 PRO 23 2HB PRO 23 16.056 3.706 -6.568 151 HB3 PRO 23 3HB PRO 23 14.842 2.425 -6.481 152 HG2 PRO 23 2HG PRO 23 17.727 2.252 -7.262 153 HG3 PRO 23 3HG PRO 23 16.780 1.165 -6.228 154 HD2 PRO 23 2HD PRO 23 17.333 0.598 -8.817 155 HD3 PRO 23 3HD PRO 23 15.832 0.077 -8.025 156 H VAL 24 H VAL 24 17.147 3.119 -10.207 157 HA VAL 24 HA VAL 24 17.961 5.856 -9.752 158 HB VAL 24 HB VAL 24 19.654 4.136 -10.195 159 HG11 VAL 24 1HG1 VAL 24 19.182 3.966 -13.067 160 HG12 VAL 24 2HG1 VAL 24 19.579 2.698 -11.906 161 HG13 VAL 24 3HG1 VAL 24 17.906 3.221 -12.104 162 HG21 VAL 24 3HG2 VAL 24 21.030 5.534 -11.356 163 HG22 VAL 24 1HG2 VAL 24 19.824 5.867 -12.600 164 HG23 VAL 24 2HG2 VAL 24 19.711 6.658 -11.028 165 H ILE 25 H ILE 25 16.147 4.041 -12.128 166 HA ILE 25 HA ILE 25 15.736 6.525 -13.661 167 HB ILE 25 HB ILE 25 15.150 5.100 -15.586 168 HG12 ILE 25 2HG1 ILE 25 15.406 3.004 -13.548 169 HG13 ILE 25 3HG1 ILE 25 14.493 3.006 -15.053 170 HG21 ILE 25 1HG2 ILE 25 17.858 4.357 -14.505 171 HG22 ILE 25 2HG2 ILE 25 17.376 4.519 -16.192 172 HG23 ILE 25 3HG2 ILE 25 17.472 5.947 -15.162 173 HD11 ILE 25 3HD1 ILE 25 16.656 2.600 -16.247 174 HD12 ILE 25 1HD1 ILE 25 17.400 2.360 -14.666 175 HD13 ILE 25 2HD1 ILE 25 16.108 1.286 -15.206 176 H GLY 26 H GLY 26 14.298 5.329 -11.257 177 HA2 GLY 26 2HA GLY 26 12.125 5.387 -10.502 178 HA3 GLY 26 3HA GLY 26 11.672 6.074 -12.054 179 H GLY 27 H GLY 27 12.810 2.940 -10.772 180 HA2 GLY 27 2HA GLY 27 11.158 1.556 -12.734 181 HA3 GLY 27 3HA GLY 27 12.317 0.816 -11.639 182 H ILE 28 H ILE 28 10.837 -0.786 -11.025 183 HA ILE 28 HA ILE 28 8.877 0.140 -9.055 184 HB ILE 28 HB ILE 28 7.241 -1.551 -9.834 185 HG12 ILE 28 2HG1 ILE 28 8.321 -1.753 -12.534 186 HG13 ILE 28 3HG1 ILE 28 9.373 -2.505 -11.338 187 HG21 ILE 28 1HG2 ILE 28 7.494 0.017 -12.270 188 HG22 ILE 28 2HG2 ILE 28 6.233 0.035 -11.037 189 HG23 ILE 28 3HG2 ILE 28 7.703 0.982 -10.808 190 HD11 ILE 28 3HD1 ILE 28 6.966 -3.475 -10.582 191 HD12 ILE 28 1HD1 ILE 28 6.741 -3.327 -12.325 192 HD13 ILE 28 2HD1 ILE 28 8.074 -4.290 -11.686 193 H CYS 29 H CYS 29 7.879 -2.045 -8.038 194 HA CYS 29 HA CYS 29 10.225 -3.593 -7.176 195 HB2 CYS 29 2HB CYS 29 7.646 -2.853 -5.820 196 HB3 CYS 29 3HB CYS 29 8.603 -4.215 -5.246 197 H ALA 30 H ALA 30 10.112 -5.848 -6.988 198 HA ALA 30 HA ALA 30 7.782 -7.158 -8.200 199 HB1 ALA 30 1HB ALA 30 8.912 -7.608 -10.057 200 HB2 ALA 30 2HB ALA 30 10.396 -6.932 -9.384 201 HB3 ALA 30 3HB ALA 30 9.985 -8.623 -9.094 Start of MODEL 6 1 H1 CYS 1 H CYS 1 6.989 2.744 3.536 2 HA CYS 1 HA CYS 1 8.266 1.591 1.971 3 HB2 CYS 1 2HB CYS 1 7.632 -0.975 1.748 4 HB3 CYS 1 3HB CYS 1 8.719 -0.406 3.011 5 H ALA 2 H ALA 2 7.650 0.118 -0.047 6 HA ALA 2 HA ALA 2 5.024 1.077 -0.976 7 HB1 ALA 2 1HB ALA 2 6.013 0.956 -3.265 8 HB2 ALA 2 2HB ALA 2 6.768 2.150 -2.207 9 HB3 ALA 2 3HB ALA 2 7.572 0.611 -2.514 10 H GLN 3 H GLN 3 3.853 -0.280 -2.461 11 HA GLN 3 HA GLN 3 4.137 -3.095 -1.787 12 HB2 GLN 3 2HB GLN 3 1.975 -1.357 -2.816 13 HB3 GLN 3 3HB GLN 3 1.962 -3.020 -3.388 14 HG2 GLN 3 2HG GLN 3 0.869 -3.530 -1.531 15 HG3 GLN 3 3HG GLN 3 2.384 -3.263 -0.669 16 HE21 GLN 3 1HE2 GLN 3 2.799 -0.922 -0.106 17 HE22 GLN 3 2HE2 GLN 3 1.453 -0.022 0.497 18 H LYS 4 H LYS 4 3.955 -4.754 -3.457 19 HA LYS 4 HA LYS 4 5.885 -4.494 -5.454 20 HB2 LYS 4 2HB LYS 4 5.500 -6.693 -5.875 21 HB3 LYS 4 3HB LYS 4 4.600 -6.588 -4.367 22 HG2 LYS 4 2HG LYS 4 3.058 -5.911 -6.769 23 HG3 LYS 4 3HG LYS 4 3.619 -7.583 -6.684 24 HD2 LYS 4 2HD LYS 4 1.504 -7.575 -5.642 25 HD3 LYS 4 3HD LYS 4 2.676 -7.622 -4.323 26 HE2 LYS 4 2HE LYS 4 2.186 -4.902 -4.941 27 HE3 LYS 4 3HE LYS 4 0.624 -5.710 -4.833 28 HZ1 LYS 4 3HZ LYS 4 2.228 -4.864 -2.741 29 HZ2 LYS 4 1HZ LYS 4 2.296 -6.554 -2.719 30 HZ3 LYS 4 2HZ LYS 4 0.801 -5.766 -2.640 31 H GLY 5 H GLY 5 5.464 -4.895 -7.835 32 HA2 GLY 5 2HA GLY 5 4.741 -3.940 -9.802 33 HA3 GLY 5 3HA GLY 5 3.148 -4.366 -9.195 34 H GLU 6 H GLU 6 5.256 -2.046 -7.627 35 HA GLU 6 HA GLU 6 3.525 0.132 -8.583 36 HB2 GLU 6 2HB GLU 6 2.902 0.741 -6.513 37 HB3 GLU 6 3HB GLU 6 3.415 -0.870 -6.032 38 HG2 GLU 6 2HG GLU 6 4.618 0.290 -4.528 39 HG3 GLU 6 3HG GLU 6 5.763 0.387 -5.863 40 H TYR 7 H TYR 7 4.492 2.278 -8.391 41 HA TYR 7 HA TYR 7 6.961 2.506 -9.561 42 HB2 TYR 7 2HB TYR 7 5.364 4.357 -9.436 43 HB3 TYR 7 3HB TYR 7 5.638 4.495 -7.704 44 HD1 TYR 7 HD2 TYR 7 7.750 4.361 -10.794 45 HD2 TYR 7 HD1 TYR 7 6.950 6.275 -7.079 46 HE1 TYR 7 HE2 TYR 7 9.589 5.939 -11.216 47 HE2 TYR 7 HE1 TYR 7 8.786 7.858 -7.492 48 HH TYR 7 HH TYR 7 9.964 8.745 -9.810 49 H CYS 8 H CYS 8 9.046 3.034 -8.839 50 HA CYS 8 HA CYS 8 9.623 2.919 -5.995 51 HB2 CYS 8 2HB CYS 8 9.683 0.574 -6.500 52 HB3 CYS 8 3HB CYS 8 10.636 0.855 -7.953 53 H SER 9 H SER 9 11.493 3.962 -5.439 54 HA SER 9 HA SER 9 13.549 4.584 -7.320 55 HB2 SER 9 2HB SER 9 13.228 6.931 -7.565 56 HB3 SER 9 3HB SER 9 11.669 6.191 -7.929 57 HG SER 9 HG SER 9 10.854 7.267 -6.332 58 H VAL 10 H VAL 10 15.054 6.341 -6.308 59 HA VAL 10 HA VAL 10 16.089 5.381 -3.942 60 HB VAL 10 HB VAL 10 17.217 7.639 -3.726 61 HG11 VAL 10 1HG1 VAL 10 17.528 6.595 -6.511 62 HG12 VAL 10 2HG1 VAL 10 18.764 7.124 -5.367 63 HG13 VAL 10 3HG1 VAL 10 17.946 5.580 -5.131 64 HG21 VAL 10 3HG2 VAL 10 16.475 8.443 -6.420 65 HG22 VAL 10 1HG2 VAL 10 15.115 8.488 -5.298 66 HG23 VAL 10 2HG2 VAL 10 16.581 9.401 -4.943 67 H TYR 11 H TYR 11 13.509 7.669 -4.428 68 HA TYR 11 HA TYR 11 13.465 8.445 -1.627 69 HB2 TYR 11 2HB TYR 11 11.406 9.181 -3.698 70 HB3 TYR 11 3HB TYR 11 11.833 10.046 -2.226 71 HD1 TYR 11 HD1 TYR 11 14.606 10.474 -2.251 72 HD2 TYR 11 HD2 TYR 11 11.972 10.362 -5.590 73 HE1 TYR 11 HE1 TYR 11 16.172 11.879 -3.525 74 HE2 TYR 11 HE2 TYR 11 13.530 11.766 -6.874 75 HH TYR 11 HH TYR 11 16.242 12.164 -6.673 76 H LEU 12 H LEU 12 11.571 6.533 -3.905 77 HA LEU 12 HA LEU 12 9.634 5.836 -1.849 78 HB2 LEU 12 2HB LEU 12 9.662 5.919 -4.697 79 HB3 LEU 12 3HB LEU 12 9.281 4.275 -4.189 80 HG LEU 12 HG LEU 12 7.225 5.415 -4.523 81 HD11 LEU 12 1HD1 LEU 12 6.227 4.741 -2.627 82 HD12 LEU 12 2HD1 LEU 12 7.278 5.715 -1.600 83 HD13 LEU 12 3HD1 LEU 12 7.840 4.160 -2.212 84 HD21 LEU 12 3HD2 LEU 12 7.590 7.498 -2.498 85 HD22 LEU 12 1HD2 LEU 12 6.834 7.579 -4.089 86 HD23 LEU 12 2HD2 LEU 12 8.588 7.700 -3.939 87 H GLN 13 H GLN 13 10.329 4.391 -0.402 88 HA GLN 13 HA GLN 13 12.194 2.308 -1.107 89 HB2 GLN 13 2HB GLN 13 11.807 3.633 1.181 90 HB3 GLN 13 3HB GLN 13 10.752 2.260 1.495 91 HG2 GLN 13 2HG GLN 13 12.989 1.916 2.399 92 HG3 GLN 13 3HG GLN 13 12.595 0.729 1.157 93 HE21 GLN 13 1HE2 GLN 13 13.814 0.613 -0.652 94 HE22 GLN 13 2HE2 GLN 13 15.204 1.595 -0.950 95 H CYS 14 H CYS 14 11.780 0.029 -0.700 96 HA CYS 14 HA CYS 14 8.961 -0.700 -1.157 97 HB2 CYS 14 2HB CYS 14 10.715 -0.981 -3.080 98 HB3 CYS 14 3HB CYS 14 11.222 -2.394 -2.159 99 H CYS 15 H CYS 15 8.176 -2.543 -0.144 100 HA CYS 15 HA CYS 15 9.786 -3.451 2.134 101 HB2 CYS 15 2HB CYS 15 6.999 -2.813 1.766 102 HB3 CYS 15 3HB CYS 15 7.167 -4.465 2.354 103 H ASP 16 H ASP 16 10.820 -5.310 1.894 104 HA ASP 16 HA ASP 16 10.618 -7.099 -0.173 105 HB2 ASP 16 2HB ASP 16 11.477 -8.794 1.667 106 HB3 ASP 16 3HB ASP 16 12.494 -7.471 1.105 107 HA PRO 17 HA PRO 17 11.111 -9.539 -0.067 108 HB2 PRO 17 2HB PRO 17 9.998 -11.147 -1.950 109 HB3 PRO 17 3HB PRO 17 10.256 -11.661 -0.279 110 HG2 PRO 17 2HG PRO 17 7.755 -10.664 -1.588 111 HG3 PRO 17 3HG PRO 17 7.965 -12.018 -0.463 112 HD2 PRO 17 2HD PRO 17 7.032 -9.602 0.324 113 HD3 PRO 17 3HD PRO 17 8.005 -10.640 1.384 114 H TYR 18 H TYR 18 8.438 -7.813 -1.295 115 HA TYR 18 HA TYR 18 8.894 -7.524 -3.980 116 HB2 TYR 18 2HB TYR 18 8.231 -5.189 -2.186 117 HB3 TYR 18 3HB TYR 18 7.756 -5.430 -3.864 118 HD1 TYR 18 HD1 TYR 18 6.963 -8.380 -3.535 119 HD2 TYR 18 HD2 TYR 18 6.042 -4.886 -1.288 120 HE1 TYR 18 HE1 TYR 18 4.861 -9.419 -2.793 121 HE2 TYR 18 HE2 TYR 18 3.938 -5.916 -0.538 122 HH TYR 18 HH TYR 18 2.969 -9.143 -1.662 123 H HIS 19 H HIS 19 10.862 -7.336 -4.861 124 HA HIS 19 HA HIS 19 12.767 -5.425 -3.717 125 HB2 HIS 19 2HB HIS 19 14.471 -6.557 -4.983 126 HB3 HIS 19 3HB HIS 19 13.498 -7.779 -4.167 127 HD1 HIS 19 HD1 HIS 19 12.410 -9.523 -5.607 128 HD2 HIS 19 HD2 HIS 19 13.934 -6.351 -7.817 129 HE1 HIS 19 HE1 HIS 19 12.210 -10.223 -8.014 130 H CYS 20 H CYS 20 13.791 -3.850 -5.001 131 HA CYS 20 HA CYS 20 12.098 -2.800 -7.105 132 HB2 CYS 20 2HB CYS 20 13.242 -1.445 -5.228 133 HB3 CYS 20 3HB CYS 20 14.703 -1.596 -6.199 134 H THR 21 H THR 21 12.892 -2.180 -9.191 135 HA THR 21 HA THR 21 14.885 -4.069 -10.207 136 HB THR 21 HB THR 21 14.011 -3.258 -12.474 137 HG1 THR 21 HG1 THR 21 12.367 -1.902 -12.488 138 HG21 THR 21 3HG2 THR 21 12.935 -5.204 -12.373 139 HG22 THR 21 1HG2 THR 21 11.624 -4.434 -11.480 140 HG23 THR 21 2HG2 THR 21 12.983 -5.147 -10.610 141 H GLN 22 H GLN 22 13.989 -0.649 -10.711 142 HA GLN 22 HA GLN 22 16.812 0.064 -10.737 143 HB2 GLN 22 2HB GLN 22 14.976 0.813 -13.016 144 HB3 GLN 22 3HB GLN 22 16.665 1.268 -12.843 145 HG2 GLN 22 2HG GLN 22 15.681 -1.562 -13.119 146 HG3 GLN 22 3HG GLN 22 16.277 -0.571 -14.450 147 HE21 GLN 22 1HE2 GLN 22 17.573 -2.791 -14.229 148 HE22 GLN 22 2HE2 GLN 22 19.107 -2.608 -13.454 149 HA PRO 23 HA PRO 23 14.144 3.090 -8.485 150 HB2 PRO 23 2HB PRO 23 15.854 3.373 -6.396 151 HB3 PRO 23 3HB PRO 23 14.643 2.089 -6.477 152 HG2 PRO 23 2HG PRO 23 17.567 1.979 -7.110 153 HG3 PRO 23 3HG PRO 23 16.569 0.813 -6.219 154 HD2 PRO 23 2HD PRO 23 17.267 0.454 -8.811 155 HD3 PRO 23 3HD PRO 23 15.726 -0.128 -8.147 156 H VAL 24 H VAL 24 17.205 3.065 -9.932 157 HA VAL 24 HA VAL 24 17.888 5.802 -9.266 158 HB VAL 24 HB VAL 24 19.704 4.210 -9.532 159 HG11 VAL 24 1HG1 VAL 24 18.203 3.168 -11.588 160 HG12 VAL 24 2HG1 VAL 24 19.550 3.939 -12.427 161 HG13 VAL 24 3HG1 VAL 24 19.861 2.721 -11.189 162 HG21 VAL 24 3HG2 VAL 24 19.983 5.927 -11.951 163 HG22 VAL 24 1HG2 VAL 24 19.765 6.697 -10.379 164 HG23 VAL 24 2HG2 VAL 24 21.132 5.616 -10.649 165 H ILE 25 H ILE 25 16.516 4.006 -11.951 166 HA ILE 25 HA ILE 25 16.173 6.539 -13.417 167 HB ILE 25 HB ILE 25 15.951 5.212 -15.462 168 HG12 ILE 25 2HG1 ILE 25 15.947 3.001 -13.519 169 HG13 ILE 25 3HG1 ILE 25 15.223 3.095 -15.120 170 HG21 ILE 25 1HG2 ILE 25 18.248 4.691 -15.751 171 HG22 ILE 25 2HG2 ILE 25 18.171 6.038 -14.617 172 HG23 ILE 25 3HG2 ILE 25 18.469 4.404 -14.026 173 HD11 ILE 25 3HD1 ILE 25 17.536 2.781 -16.055 174 HD12 ILE 25 1HD1 ILE 25 18.056 2.406 -14.413 175 HD13 ILE 25 2HD1 ILE 25 16.849 1.395 -15.208 176 H GLY 26 H GLY 26 14.476 5.305 -11.269 177 HA2 GLY 26 2HA GLY 26 12.217 5.288 -10.827 178 HA3 GLY 26 3HA GLY 26 11.951 5.873 -12.463 179 H GLY 27 H GLY 27 12.382 3.011 -10.470 180 HA2 GLY 27 2HA GLY 27 11.315 1.388 -12.696 181 HA3 GLY 27 3HA GLY 27 12.363 0.761 -11.432 182 H ILE 28 H ILE 28 10.833 -0.871 -10.962 183 HA ILE 28 HA ILE 28 8.709 0.059 -9.185 184 HB ILE 28 HB ILE 28 7.217 -1.783 -10.179 185 HG12 ILE 28 2HG1 ILE 28 8.397 -1.291 -12.821 186 HG13 ILE 28 3HG1 ILE 28 9.420 -2.249 -11.756 187 HG21 ILE 28 1HG2 ILE 28 6.066 -0.037 -10.920 188 HG22 ILE 28 2HG2 ILE 28 7.511 0.955 -10.724 189 HG23 ILE 28 3HG2 ILE 28 7.179 0.174 -12.271 190 HD11 ILE 28 3HD1 ILE 28 6.587 -2.866 -12.559 191 HD12 ILE 28 1HD1 ILE 28 8.047 -3.695 -13.098 192 HD13 ILE 28 2HD1 ILE 28 7.542 -3.804 -11.412 193 H CYS 29 H CYS 29 7.657 -1.953 -8.101 194 HA CYS 29 HA CYS 29 9.863 -3.604 -7.125 195 HB2 CYS 29 2HB CYS 29 7.093 -3.077 -6.037 196 HB3 CYS 29 3HB CYS 29 8.227 -4.209 -5.309 197 H ALA 30 H ALA 30 9.819 -5.837 -7.111 198 HA ALA 30 HA ALA 30 7.564 -7.181 -8.405 199 HB1 ALA 30 1HB ALA 30 9.624 -8.535 -9.534 200 HB2 ALA 30 2HB ALA 30 8.734 -7.232 -10.323 201 HB3 ALA 30 3HB ALA 30 10.265 -6.891 -9.518 Start of MODEL 7 1 H1 CYS 1 H CYS 1 5.894 0.950 4.493 2 HA CYS 1 HA CYS 1 8.081 0.888 2.637 3 HB2 CYS 1 2HB CYS 1 7.254 -1.598 2.038 4 HB3 CYS 1 3HB CYS 1 8.604 -1.274 3.119 5 H ALA 2 H ALA 2 7.369 0.511 0.428 6 HA ALA 2 HA ALA 2 4.627 1.438 0.051 7 HB1 ALA 2 1HB ALA 2 6.488 2.622 -1.065 8 HB2 ALA 2 2HB ALA 2 6.829 1.158 -1.989 9 HB3 ALA 2 3HB ALA 2 5.291 1.996 -2.199 10 H GLN 3 H GLN 3 3.631 0.556 -2.113 11 HA GLN 3 HA GLN 3 3.396 -2.316 -1.743 12 HB2 GLN 3 2HB GLN 3 1.786 -0.203 -3.091 13 HB3 GLN 3 3HB GLN 3 1.627 -1.855 -3.674 14 HG2 GLN 3 2HG GLN 3 -0.087 -1.455 -2.071 15 HG3 GLN 3 3HG GLN 3 1.086 -2.563 -1.361 16 HE21 GLN 3 1HE2 GLN 3 -0.672 0.226 -0.900 17 HE22 GLN 3 2HE2 GLN 3 0.180 0.860 0.463 18 H LYS 4 H LYS 4 4.351 -3.780 -2.988 19 HA LYS 4 HA LYS 4 6.232 -3.168 -4.940 20 HB2 LYS 4 2HB LYS 4 6.403 -5.487 -5.343 21 HB3 LYS 4 3HB LYS 4 5.942 -5.345 -3.652 22 HG2 LYS 4 2HG LYS 4 3.911 -5.781 -5.814 23 HG3 LYS 4 3HG LYS 4 4.771 -7.119 -5.051 24 HD2 LYS 4 2HD LYS 4 3.046 -7.064 -3.599 25 HD3 LYS 4 3HD LYS 4 3.957 -5.741 -2.869 26 HE2 LYS 4 2HE LYS 4 2.626 -4.334 -4.683 27 HE3 LYS 4 3HE LYS 4 1.493 -5.675 -4.528 28 HZ1 LYS 4 3HZ LYS 4 1.518 -5.272 -2.096 29 HZ2 LYS 4 1HZ LYS 4 0.878 -3.984 -2.988 30 HZ3 LYS 4 2HZ LYS 4 2.447 -3.884 -2.363 31 H GLY 5 H GLY 5 5.927 -4.532 -7.197 32 HA2 GLY 5 2HA GLY 5 5.083 -4.310 -9.323 33 HA3 GLY 5 3HA GLY 5 3.519 -4.519 -8.550 34 H GLU 6 H GLU 6 5.415 -1.813 -7.584 35 HA GLU 6 HA GLU 6 3.926 -0.041 -9.391 36 HB2 GLU 6 2HB GLU 6 4.254 0.503 -6.439 37 HB3 GLU 6 3HB GLU 6 3.330 1.447 -7.600 38 HG2 GLU 6 2HG GLU 6 2.299 -1.147 -7.743 39 HG3 GLU 6 3HG GLU 6 2.522 -0.809 -6.028 40 H TYR 7 H TYR 7 4.794 2.282 -9.162 41 HA TYR 7 HA TYR 7 7.422 2.378 -9.991 42 HB2 TYR 7 2HB TYR 7 5.678 4.191 -10.218 43 HB3 TYR 7 3HB TYR 7 6.022 4.635 -8.551 44 HD1 TYR 7 HD1 TYR 7 7.717 4.158 -11.840 45 HD2 TYR 7 HD2 TYR 7 7.683 6.197 -8.104 46 HE1 TYR 7 HE1 TYR 7 9.565 5.587 -12.609 47 HE2 TYR 7 HE2 TYR 7 9.530 7.632 -8.865 48 HH TYR 7 HH TYR 7 10.404 8.413 -11.226 49 H CYS 8 H CYS 8 9.380 2.908 -9.032 50 HA CYS 8 HA CYS 8 9.508 3.205 -6.140 51 HB2 CYS 8 2HB CYS 8 9.568 0.793 -6.388 52 HB3 CYS 8 3HB CYS 8 10.829 0.916 -7.610 53 H SER 9 H SER 9 11.329 4.263 -5.431 54 HA SER 9 HA SER 9 13.520 4.763 -7.272 55 HB2 SER 9 2HB SER 9 13.354 7.181 -7.153 56 HB3 SER 9 3HB SER 9 11.835 6.532 -7.773 57 HG SER 9 HG SER 9 11.271 7.979 -6.222 58 H VAL 10 H VAL 10 15.141 6.331 -6.131 59 HA VAL 10 HA VAL 10 16.157 5.086 -3.889 60 HB VAL 10 HB VAL 10 17.568 7.049 -3.551 61 HG11 VAL 10 1HG1 VAL 10 17.103 6.172 -6.386 62 HG12 VAL 10 2HG1 VAL 10 18.423 7.255 -5.941 63 HG13 VAL 10 3HG1 VAL 10 18.345 5.630 -5.257 64 HG21 VAL 10 3HG2 VAL 10 15.432 8.358 -5.125 65 HG22 VAL 10 1HG2 VAL 10 16.413 8.985 -3.799 66 HG23 VAL 10 2HG2 VAL 10 17.086 8.891 -5.427 67 H TYR 11 H TYR 11 13.696 7.533 -4.106 68 HA TYR 11 HA TYR 11 13.757 8.066 -1.247 69 HB2 TYR 11 2HB TYR 11 11.839 9.105 -3.342 70 HB3 TYR 11 3HB TYR 11 12.028 9.712 -1.701 71 HD1 TYR 11 HD2 TYR 11 14.344 10.667 -1.074 72 HD2 TYR 11 HD1 TYR 11 13.070 10.042 -5.085 73 HE1 TYR 11 HE2 TYR 11 16.044 12.263 -1.856 74 HE2 TYR 11 HE1 TYR 11 14.767 11.634 -5.879 75 HH TYR 11 HH TYR 11 16.080 13.498 -5.036 76 H LEU 12 H LEU 12 11.539 6.671 -3.645 77 HA LEU 12 HA LEU 12 9.752 5.760 -1.539 78 HB2 LEU 12 2HB LEU 12 9.632 6.043 -4.470 79 HB3 LEU 12 3HB LEU 12 8.741 4.679 -3.797 80 HG LEU 12 HG LEU 12 8.042 6.911 -2.238 81 HD11 LEU 12 1HD1 LEU 12 7.609 7.585 -5.124 82 HD12 LEU 12 2HD1 LEU 12 9.028 8.162 -4.252 83 HD13 LEU 12 3HD1 LEU 12 7.413 8.607 -3.700 84 HD21 LEU 12 3HD2 LEU 12 6.723 4.869 -2.997 85 HD22 LEU 12 1HD2 LEU 12 6.417 5.761 -4.487 86 HD23 LEU 12 2HD2 LEU 12 5.860 6.407 -2.944 87 H GLN 13 H GLN 13 10.205 3.936 -0.507 88 HA GLN 13 HA GLN 13 11.572 1.783 -1.974 89 HB2 GLN 13 2HB GLN 13 12.432 2.914 0.281 90 HB3 GLN 13 3HB GLN 13 11.351 1.723 0.993 91 HG2 GLN 13 2HG GLN 13 13.607 0.866 0.884 92 HG3 GLN 13 3HG GLN 13 12.544 -0.059 -0.174 93 HE21 GLN 13 1HE2 GLN 13 13.235 -0.416 -2.157 94 HE22 GLN 13 2HE2 GLN 13 14.468 0.471 -2.979 95 H CYS 14 H CYS 14 10.911 -0.410 -1.576 96 HA CYS 14 HA CYS 14 8.060 -0.612 -0.858 97 HB2 CYS 14 2HB CYS 14 8.056 -2.641 -2.345 98 HB3 CYS 14 3HB CYS 14 8.333 -1.118 -3.183 99 H CYS 15 H CYS 15 7.412 -2.816 -0.071 100 HA CYS 15 HA CYS 15 9.265 -3.629 2.018 101 HB2 CYS 15 2HB CYS 15 6.466 -3.417 1.831 102 HB3 CYS 15 3HB CYS 15 6.805 -5.139 1.972 103 H ASP 16 H ASP 16 10.326 -5.525 2.103 104 HA ASP 16 HA ASP 16 10.664 -7.067 -0.230 105 HB2 ASP 16 2HB ASP 16 11.718 -7.044 2.493 106 HB3 ASP 16 3HB ASP 16 11.559 -8.674 1.843 107 HA PRO 17 HA PRO 17 11.663 -9.443 0.015 108 HB2 PRO 17 2HB PRO 17 11.097 -11.243 -1.938 109 HB3 PRO 17 3HB PRO 17 11.249 -11.690 -0.235 110 HG2 PRO 17 2HG PRO 17 8.778 -11.190 -1.847 111 HG3 PRO 17 3HG PRO 17 9.103 -12.473 -0.668 112 HD2 PRO 17 2HD PRO 17 7.649 -10.272 -0.061 113 HD3 PRO 17 3HD PRO 17 8.669 -11.102 1.133 114 H TYR 18 H TYR 18 8.853 -8.337 -1.612 115 HA TYR 18 HA TYR 18 9.623 -7.953 -4.213 116 HB2 TYR 18 2HB TYR 18 8.204 -5.796 -2.661 117 HB3 TYR 18 3HB TYR 18 8.002 -6.235 -4.353 118 HD1 TYR 18 HD2 TYR 18 7.408 -8.938 -4.535 119 HD2 TYR 18 HD1 TYR 18 6.382 -6.304 -1.355 120 HE1 TYR 18 HE2 TYR 18 5.526 -10.404 -3.935 121 HE2 TYR 18 HE1 TYR 18 4.499 -7.763 -0.746 122 HH TYR 18 HH TYR 18 3.896 -10.207 -1.032 123 H HIS 19 H HIS 19 11.392 -7.092 -5.050 124 HA HIS 19 HA HIS 19 12.614 -4.778 -3.691 125 HB2 HIS 19 2HB HIS 19 14.774 -5.522 -4.643 126 HB3 HIS 19 3HB HIS 19 14.072 -6.720 -3.560 127 HD1 HIS 19 HD1 HIS 19 13.200 -8.921 -4.632 128 HD2 HIS 19 HD2 HIS 19 15.019 -6.311 -7.305 129 HE1 HIS 19 HE1 HIS 19 13.605 -10.269 -6.716 130 H CYS 20 H CYS 20 13.366 -3.070 -4.950 131 HA CYS 20 HA CYS 20 11.911 -2.580 -7.344 132 HB2 CYS 20 2HB CYS 20 14.295 -1.009 -6.362 133 HB3 CYS 20 3HB CYS 20 12.962 -0.439 -7.361 134 H THR 21 H THR 21 12.656 -2.353 -9.461 135 HA THR 21 HA THR 21 14.873 -4.094 -10.133 136 HB THR 21 HB THR 21 14.156 -3.480 -12.527 137 HG1 THR 21 HG1 THR 21 11.865 -2.759 -12.484 138 HG21 THR 21 3HG2 THR 21 13.085 -5.433 -12.437 139 HG22 THR 21 1HG2 THR 21 11.772 -4.725 -11.497 140 HG23 THR 21 2HG2 THR 21 13.201 -5.357 -10.679 141 H GLN 22 H GLN 22 13.941 -0.720 -10.795 142 HA GLN 22 HA GLN 22 16.741 0.047 -10.774 143 HB2 GLN 22 2HB GLN 22 14.968 0.402 -13.192 144 HB3 GLN 22 3HB GLN 22 16.469 1.288 -12.951 145 HG2 GLN 22 2HG GLN 22 16.287 -1.713 -13.033 146 HG3 GLN 22 3HG GLN 22 16.655 -0.704 -14.432 147 HE21 GLN 22 1HE2 GLN 22 18.716 -0.385 -14.842 148 HE22 GLN 22 2HE2 GLN 22 20.015 -0.528 -13.713 149 HA PRO 23 HA PRO 23 13.864 3.107 -8.823 150 HB2 PRO 23 2HB PRO 23 15.386 3.462 -6.604 151 HB3 PRO 23 3HB PRO 23 14.187 2.171 -6.749 152 HG2 PRO 23 2HG PRO 23 17.154 2.051 -7.122 153 HG3 PRO 23 3HG PRO 23 16.085 0.911 -6.285 154 HD2 PRO 23 2HD PRO 23 17.004 0.473 -8.795 155 HD3 PRO 23 3HD PRO 23 15.413 -0.094 -8.248 156 H VAL 24 H VAL 24 17.028 3.048 -10.014 157 HA VAL 24 HA VAL 24 17.680 5.792 -9.358 158 HB VAL 24 HB VAL 24 19.501 4.201 -9.492 159 HG11 VAL 24 1HG1 VAL 24 18.102 3.140 -11.635 160 HG12 VAL 24 2HG1 VAL 24 19.554 3.828 -12.364 161 HG13 VAL 24 3HG1 VAL 24 19.696 2.640 -11.069 162 HG21 VAL 24 3HG2 VAL 24 21.009 5.513 -10.689 163 HG22 VAL 24 1HG2 VAL 24 19.818 5.926 -11.922 164 HG23 VAL 24 2HG2 VAL 24 19.704 6.637 -10.313 165 H ILE 25 H ILE 25 16.429 3.978 -12.086 166 HA ILE 25 HA ILE 25 16.203 6.495 -13.604 167 HB ILE 25 HB ILE 25 16.166 5.207 -15.645 168 HG12 ILE 25 2HG1 ILE 25 15.781 2.969 -13.770 169 HG13 ILE 25 3HG1 ILE 25 15.239 3.150 -15.435 170 HG21 ILE 25 1HG2 ILE 25 18.448 4.167 -13.980 171 HG22 ILE 25 2HG2 ILE 25 18.430 4.498 -15.713 172 HG23 ILE 25 3HG2 ILE 25 18.347 5.830 -14.560 173 HD11 ILE 25 3HD1 ILE 25 17.919 2.220 -14.457 174 HD12 ILE 25 1HD1 ILE 25 16.725 1.322 -15.392 175 HD13 ILE 25 2HD1 ILE 25 17.603 2.659 -16.134 176 H GLY 26 H GLY 26 14.391 5.112 -11.554 177 HA2 GLY 26 2HA GLY 26 12.098 5.209 -11.251 178 HA3 GLY 26 3HA GLY 26 11.934 5.719 -12.925 179 H GLY 27 H GLY 27 12.288 2.942 -10.792 180 HA2 GLY 27 2HA GLY 27 11.213 1.255 -12.968 181 HA3 GLY 27 3HA GLY 27 12.370 0.666 -11.784 182 H ILE 28 H ILE 28 10.883 -1.020 -11.271 183 HA ILE 28 HA ILE 28 8.867 -0.151 -9.334 184 HB ILE 28 HB ILE 28 7.351 -2.001 -10.191 185 HG12 ILE 28 2HG1 ILE 28 8.382 -1.710 -12.913 186 HG13 ILE 28 3HG1 ILE 28 9.500 -2.548 -11.842 187 HG21 ILE 28 1HG2 ILE 28 6.194 -0.260 -10.934 188 HG22 ILE 28 2HG2 ILE 28 7.674 0.694 -11.006 189 HG23 ILE 28 3HG2 ILE 28 7.159 -0.239 -12.410 190 HD11 ILE 28 3HD1 ILE 28 7.641 -4.086 -11.229 191 HD12 ILE 28 1HD1 ILE 28 6.661 -3.310 -12.473 192 HD13 ILE 28 2HD1 ILE 28 8.135 -4.171 -12.920 193 H CYS 29 H CYS 29 8.074 -2.021 -7.997 194 HA CYS 29 HA CYS 29 10.354 -3.753 -7.365 195 HB2 CYS 29 2HB CYS 29 7.982 -2.803 -5.769 196 HB3 CYS 29 3HB CYS 29 8.984 -4.145 -5.222 197 H ALA 30 H ALA 30 9.998 -5.984 -6.830 198 HA ALA 30 HA ALA 30 7.479 -7.187 -7.642 199 HB1 ALA 30 1HB ALA 30 9.062 -8.838 -9.038 200 HB2 ALA 30 2HB ALA 30 8.264 -7.435 -9.750 201 HB3 ALA 30 3HB ALA 30 9.952 -7.330 -9.253 Start of MODEL 8 1 H1 CYS 1 H CYS 1 6.520 2.690 3.432 2 HA CYS 1 HA CYS 1 8.132 1.602 1.989 3 HB2 CYS 1 2HB CYS 1 7.634 -0.986 1.778 4 HB3 CYS 1 3HB CYS 1 8.681 -0.366 3.049 5 H ALA 2 H ALA 2 7.614 0.275 -0.073 6 HA ALA 2 HA ALA 2 4.914 1.054 -0.946 7 HB1 ALA 2 1HB ALA 2 7.412 0.620 -2.579 8 HB2 ALA 2 2HB ALA 2 5.834 1.077 -3.222 9 HB3 ALA 2 3HB ALA 2 6.701 2.175 -2.149 10 H GLN 3 H GLN 3 3.759 -0.346 -2.381 11 HA GLN 3 HA GLN 3 4.189 -3.152 -1.746 12 HB2 GLN 3 2HB GLN 3 1.920 -1.493 -2.628 13 HB3 GLN 3 3HB GLN 3 1.960 -3.114 -3.310 14 HG2 GLN 3 2HG GLN 3 2.104 -4.038 -1.030 15 HG3 GLN 3 3HG GLN 3 1.970 -2.402 -0.386 16 HE21 GLN 3 1HE2 GLN 3 0.120 -3.575 0.684 17 HE22 GLN 3 2HE2 GLN 3 -1.406 -3.519 -0.125 18 H LYS 4 H LYS 4 4.062 -4.805 -3.410 19 HA LYS 4 HA LYS 4 5.904 -4.455 -5.462 20 HB2 LYS 4 2HB LYS 4 5.525 -6.652 -5.986 21 HB3 LYS 4 3HB LYS 4 4.806 -6.612 -4.381 22 HG2 LYS 4 2HG LYS 4 3.014 -5.966 -6.636 23 HG3 LYS 4 3HG LYS 4 3.577 -7.635 -6.522 24 HD2 LYS 4 2HD LYS 4 1.679 -7.733 -5.230 25 HD3 LYS 4 3HD LYS 4 2.893 -7.365 -4.003 26 HE2 LYS 4 2HE LYS 4 2.122 -4.879 -4.941 27 HE3 LYS 4 3HE LYS 4 0.618 -5.799 -4.904 28 HZ1 LYS 4 3HZ LYS 4 2.374 -5.018 -2.693 29 HZ2 LYS 4 1HZ LYS 4 1.513 -6.469 -2.555 30 HZ3 LYS 4 2HZ LYS 4 0.684 -5.012 -2.781 31 H GLY 5 H GLY 5 5.355 -4.953 -7.847 32 HA2 GLY 5 2HA GLY 5 4.558 -4.003 -9.789 33 HA3 GLY 5 3HA GLY 5 2.991 -4.407 -9.103 34 H GLU 6 H GLU 6 5.202 -2.085 -7.679 35 HA GLU 6 HA GLU 6 3.477 0.106 -8.607 36 HB2 GLU 6 2HB GLU 6 2.867 0.733 -6.540 37 HB3 GLU 6 3HB GLU 6 3.364 -0.879 -6.047 38 HG2 GLU 6 2HG GLU 6 4.581 0.286 -4.556 39 HG3 GLU 6 3HG GLU 6 5.727 0.349 -5.895 40 H TYR 7 H TYR 7 4.477 2.226 -8.484 41 HA TYR 7 HA TYR 7 6.958 2.394 -9.636 42 HB2 TYR 7 2HB TYR 7 5.408 4.274 -9.588 43 HB3 TYR 7 3HB TYR 7 5.618 4.435 -7.849 44 HD1 TYR 7 HD1 TYR 7 7.590 4.497 -11.018 45 HD2 TYR 7 HD2 TYR 7 7.183 5.942 -7.036 46 HE1 TYR 7 HE1 TYR 7 9.462 6.047 -11.396 47 HE2 TYR 7 HE2 TYR 7 9.052 7.496 -7.404 48 HH TYR 7 HH TYR 7 10.598 8.216 -8.820 49 H CYS 8 H CYS 8 9.043 2.925 -8.908 50 HA CYS 8 HA CYS 8 9.598 2.867 -6.059 51 HB2 CYS 8 2HB CYS 8 9.641 0.514 -6.489 52 HB3 CYS 8 3HB CYS 8 10.581 0.738 -7.961 53 H SER 9 H SER 9 11.456 3.925 -5.517 54 HA SER 9 HA SER 9 13.549 4.464 -7.384 55 HB2 SER 9 2HB SER 9 13.250 6.798 -7.724 56 HB3 SER 9 3HB SER 9 11.688 6.062 -8.079 57 HG SER 9 HG SER 9 11.246 7.754 -6.760 58 H VAL 10 H VAL 10 15.055 6.236 -6.411 59 HA VAL 10 HA VAL 10 16.043 5.358 -3.996 60 HB VAL 10 HB VAL 10 17.181 7.617 -3.840 61 HG11 VAL 10 1HG1 VAL 10 17.593 5.454 -5.559 62 HG12 VAL 10 2HG1 VAL 10 17.839 6.894 -6.549 63 HG13 VAL 10 3HG1 VAL 10 18.772 6.670 -5.069 64 HG21 VAL 10 3HG2 VAL 10 15.319 8.816 -5.035 65 HG22 VAL 10 1HG2 VAL 10 16.945 9.184 -5.612 66 HG23 VAL 10 2HG2 VAL 10 15.910 8.090 -6.530 67 H TYR 11 H TYR 11 13.489 7.648 -4.604 68 HA TYR 11 HA TYR 11 13.403 8.519 -1.832 69 HB2 TYR 11 2HB TYR 11 11.377 9.197 -3.953 70 HB3 TYR 11 3HB TYR 11 11.803 10.115 -2.512 71 HD1 TYR 11 HD2 TYR 11 14.560 10.549 -2.520 72 HD2 TYR 11 HD1 TYR 11 11.991 10.256 -5.899 73 HE1 TYR 11 HE2 TYR 11 16.149 11.887 -3.838 74 HE2 TYR 11 HE1 TYR 11 13.572 11.591 -7.226 75 HH TYR 11 HH TYR 11 15.874 13.462 -6.006 76 H LEU 12 H LEU 12 11.546 6.529 -4.071 77 HA LEU 12 HA LEU 12 9.561 5.924 -2.033 78 HB2 LEU 12 2HB LEU 12 9.647 5.900 -4.876 79 HB3 LEU 12 3HB LEU 12 9.262 4.272 -4.321 80 HG LEU 12 HG LEU 12 7.206 5.383 -4.732 81 HD11 LEU 12 1HD1 LEU 12 6.138 4.907 -2.781 82 HD12 LEU 12 2HD1 LEU 12 7.329 5.749 -1.791 83 HD13 LEU 12 3HD1 LEU 12 7.696 4.151 -2.441 84 HD21 LEU 12 3HD2 LEU 12 8.539 7.698 -4.228 85 HD22 LEU 12 1HD2 LEU 12 7.536 7.550 -2.784 86 HD23 LEU 12 2HD2 LEU 12 6.786 7.559 -4.380 87 H GLN 13 H GLN 13 10.250 4.554 -0.506 88 HA GLN 13 HA GLN 13 12.132 2.456 -1.053 89 HB2 GLN 13 2HB GLN 13 11.753 3.795 1.151 90 HB3 GLN 13 3HB GLN 13 10.487 2.613 1.450 91 HG2 GLN 13 2HG GLN 13 12.471 1.896 2.559 92 HG3 GLN 13 3HG GLN 13 12.171 0.815 1.198 93 HE21 GLN 13 1HE2 GLN 13 14.110 0.164 0.563 94 HE22 GLN 13 2HE2 GLN 13 15.440 1.196 0.175 95 H CYS 14 H CYS 14 11.721 0.181 -0.601 96 HA CYS 14 HA CYS 14 8.932 -0.608 -1.127 97 HB2 CYS 14 2HB CYS 14 10.645 -0.794 -3.082 98 HB3 CYS 14 3HB CYS 14 11.248 -2.191 -2.196 99 H CYS 15 H CYS 15 8.198 -2.468 -0.126 100 HA CYS 15 HA CYS 15 9.858 -3.391 2.108 101 HB2 CYS 15 2HB CYS 15 7.044 -2.837 1.769 102 HB3 CYS 15 3HB CYS 15 7.277 -4.486 2.338 103 H ASP 16 H ASP 16 10.913 -5.236 1.868 104 HA ASP 16 HA ASP 16 10.737 -6.984 -0.255 105 HB2 ASP 16 2HB ASP 16 11.909 -7.079 2.452 106 HB3 ASP 16 3HB ASP 16 11.607 -8.649 1.712 107 HA PRO 17 HA PRO 17 11.345 -9.429 -0.118 108 HB2 PRO 17 2HB PRO 17 10.286 -11.102 -1.975 109 HB3 PRO 17 3HB PRO 17 10.571 -11.585 -0.298 110 HG2 PRO 17 2HG PRO 17 8.029 -10.702 -1.608 111 HG3 PRO 17 3HG PRO 17 8.295 -12.032 -0.467 112 HD2 PRO 17 2HD PRO 17 7.273 -9.643 0.293 113 HD3 PRO 17 3HD PRO 17 8.290 -10.630 1.363 114 H TYR 18 H TYR 18 8.611 -7.809 -1.345 115 HA TYR 18 HA TYR 18 9.052 -7.540 -4.040 116 HB2 TYR 18 2HB TYR 18 8.291 -5.200 -2.297 117 HB3 TYR 18 3HB TYR 18 7.800 -5.523 -3.956 118 HD1 TYR 18 HD2 TYR 18 7.107 -8.458 -3.589 119 HD2 TYR 18 HD1 TYR 18 6.160 -5.008 -1.286 120 HE1 TYR 18 HE2 TYR 18 5.071 -9.570 -2.770 121 HE2 TYR 18 HE1 TYR 18 4.122 -6.111 -0.460 122 HH TYR 18 HH TYR 18 3.568 -9.365 -0.699 123 H HIS 19 H HIS 19 11.023 -7.291 -4.904 124 HA HIS 19 HA HIS 19 12.835 -5.280 -3.784 125 HB2 HIS 19 2HB HIS 19 14.571 -6.335 -5.138 126 HB3 HIS 19 3HB HIS 19 13.740 -7.542 -4.161 127 HD1 HIS 19 HD1 HIS 19 12.311 -9.294 -5.401 128 HD2 HIS 19 HD2 HIS 19 14.209 -6.579 -7.907 129 HE1 HIS 19 HE1 HIS 19 12.097 -10.253 -7.716 130 H CYS 20 H CYS 20 13.837 -3.707 -5.118 131 HA CYS 20 HA CYS 20 12.075 -2.634 -7.122 132 HB2 CYS 20 2HB CYS 20 13.526 -1.358 -5.376 133 HB3 CYS 20 3HB CYS 20 14.821 -1.564 -6.551 134 H THR 21 H THR 21 12.847 -1.949 -9.260 135 HA THR 21 HA THR 21 14.746 -3.902 -10.389 136 HB THR 21 HB THR 21 13.497 -3.601 -12.548 137 HG1 THR 21 HG1 THR 21 11.982 -2.137 -12.600 138 HG21 THR 21 3HG2 THR 21 12.263 -4.815 -10.108 139 HG22 THR 21 1HG2 THR 21 12.984 -5.607 -11.508 140 HG23 THR 21 2HG2 THR 21 11.395 -4.854 -11.642 141 H GLN 22 H GLN 22 13.793 -0.570 -10.178 142 HA GLN 22 HA GLN 22 16.309 0.246 -11.346 143 HB2 GLN 22 2HB GLN 22 13.710 0.585 -12.736 144 HB3 GLN 22 3HB GLN 22 14.794 1.970 -12.743 145 HG2 GLN 22 2HG GLN 22 16.558 0.581 -13.715 146 HG3 GLN 22 3HG GLN 22 15.460 -0.798 -13.720 147 HE21 GLN 22 1HE2 GLN 22 16.368 -0.425 -16.059 148 HE22 GLN 22 2HE2 GLN 22 15.302 0.446 -17.102 149 HA PRO 23 HA PRO 23 14.563 2.843 -7.860 150 HB2 PRO 23 2HB PRO 23 16.669 2.493 -6.182 151 HB3 PRO 23 3HB PRO 23 15.282 1.397 -6.226 152 HG2 PRO 23 2HG PRO 23 17.977 1.096 -7.495 153 HG3 PRO 23 3HG PRO 23 17.006 -0.111 -6.632 154 HD2 PRO 23 2HD PRO 23 17.122 0.003 -9.336 155 HD3 PRO 23 3HD PRO 23 15.670 -0.530 -8.464 156 H VAL 24 H VAL 24 17.213 2.796 -9.950 157 HA VAL 24 HA VAL 24 18.257 5.364 -8.998 158 HB VAL 24 HB VAL 24 19.928 3.653 -9.477 159 HG11 VAL 24 1HG1 VAL 24 18.287 2.891 -11.522 160 HG12 VAL 24 2HG1 VAL 24 19.598 3.700 -12.383 161 HG13 VAL 24 3HG1 VAL 24 19.951 2.352 -11.300 162 HG21 VAL 24 3HG2 VAL 24 20.030 6.249 -10.235 163 HG22 VAL 24 1HG2 VAL 24 21.392 5.133 -10.336 164 HG23 VAL 24 2HG2 VAL 24 20.402 5.447 -11.761 165 H ILE 25 H ILE 25 16.673 3.858 -11.753 166 HA ILE 25 HA ILE 25 16.344 6.532 -12.949 167 HB ILE 25 HB ILE 25 16.074 5.395 -15.132 168 HG12 ILE 25 2HG1 ILE 25 16.274 3.031 -13.407 169 HG13 ILE 25 3HG1 ILE 25 15.548 3.203 -15.001 170 HG21 ILE 25 1HG2 ILE 25 18.253 6.322 -14.306 171 HG22 ILE 25 2HG2 ILE 25 18.699 4.679 -13.844 172 HG23 ILE 25 3HG2 ILE 25 18.396 5.067 -15.537 173 HD11 ILE 25 3HD1 ILE 25 18.429 2.691 -14.331 174 HD12 ILE 25 1HD1 ILE 25 17.309 1.643 -15.200 175 HD13 ILE 25 2HD1 ILE 25 17.874 3.140 -15.943 176 H GLY 26 H GLY 26 14.637 5.394 -10.935 177 HA2 GLY 26 2HA GLY 26 12.395 5.174 -10.495 178 HA3 GLY 26 3HA GLY 26 12.122 5.939 -12.054 179 H GLY 27 H GLY 27 12.029 3.024 -10.270 180 HA2 GLY 27 2HA GLY 27 11.140 1.605 -12.702 181 HA3 GLY 27 3HA GLY 27 12.176 0.825 -11.517 182 H ILE 28 H ILE 28 10.816 -0.785 -10.877 183 HA ILE 28 HA ILE 28 8.555 0.044 -9.233 184 HB ILE 28 HB ILE 28 7.199 -1.882 -10.229 185 HG12 ILE 28 2HG1 ILE 28 8.444 -1.478 -12.844 186 HG13 ILE 28 3HG1 ILE 28 9.508 -2.285 -11.698 187 HG21 ILE 28 1HG2 ILE 28 7.310 0.816 -10.794 188 HG22 ILE 28 2HG2 ILE 28 7.291 0.058 -12.385 189 HG23 ILE 28 3HG2 ILE 28 6.006 -0.288 -11.230 190 HD11 ILE 28 3HD1 ILE 28 7.714 -3.940 -11.283 191 HD12 ILE 28 1HD1 ILE 28 6.767 -3.170 -12.554 192 HD13 ILE 28 2HD1 ILE 28 8.310 -3.933 -12.942 193 H CYS 29 H CYS 29 7.573 -2.040 -8.179 194 HA CYS 29 HA CYS 29 9.849 -3.564 -7.125 195 HB2 CYS 29 2HB CYS 29 7.096 -3.010 -6.012 196 HB3 CYS 29 3HB CYS 29 8.221 -4.145 -5.275 197 H ALA 30 H ALA 30 9.940 -5.757 -7.207 198 HA ALA 30 HA ALA 30 7.661 -7.190 -8.386 199 HB1 ALA 30 1HB ALA 30 8.940 -7.104 -10.281 200 HB2 ALA 30 2HB ALA 30 10.460 -7.066 -9.389 201 HB3 ALA 30 3HB ALA 30 9.570 -8.580 -9.549 Start of MODEL 9 1 H1 CYS 1 H CYS 1 6.051 2.476 3.546 2 HA CYS 1 HA CYS 1 7.895 1.490 2.171 3 HB2 CYS 1 2HB CYS 1 7.372 -1.100 1.897 4 HB3 CYS 1 3HB CYS 1 8.438 -0.504 3.165 5 H ALA 2 H ALA 2 7.466 0.400 0.029 6 HA ALA 2 HA ALA 2 4.806 1.205 -0.891 7 HB1 ALA 2 1HB ALA 2 7.443 0.818 -2.252 8 HB2 ALA 2 2HB ALA 2 5.946 0.827 -3.184 9 HB3 ALA 2 3HB ALA 2 6.396 2.237 -2.224 10 H GLN 3 H GLN 3 3.682 -0.140 -2.468 11 HA GLN 3 HA GLN 3 3.799 -2.940 -1.695 12 HB2 GLN 3 2HB GLN 3 1.793 -1.150 -2.926 13 HB3 GLN 3 3HB GLN 3 1.751 -2.827 -3.456 14 HG2 GLN 3 2HG GLN 3 1.589 -3.530 -1.095 15 HG3 GLN 3 3HG GLN 3 1.521 -1.832 -0.626 16 HE21 GLN 3 1HE2 GLN 3 -0.455 -1.241 -0.139 17 HE22 GLN 3 2HE2 GLN 3 -1.903 -1.749 -0.933 18 H LYS 4 H LYS 4 3.719 -4.652 -3.295 19 HA LYS 4 HA LYS 4 5.776 -4.511 -5.172 20 HB2 LYS 4 2HB LYS 4 5.372 -6.717 -5.530 21 HB3 LYS 4 3HB LYS 4 4.387 -6.535 -4.085 22 HG2 LYS 4 2HG LYS 4 3.007 -5.935 -6.604 23 HG3 LYS 4 3HG LYS 4 3.523 -7.611 -6.409 24 HD2 LYS 4 2HD LYS 4 1.352 -7.515 -5.501 25 HD3 LYS 4 3HD LYS 4 2.439 -7.517 -4.110 26 HE2 LYS 4 2HE LYS 4 2.046 -4.822 -4.888 27 HE3 LYS 4 3HE LYS 4 0.462 -5.595 -4.841 28 HZ1 LYS 4 3HZ LYS 4 1.941 -4.672 -2.695 29 HZ2 LYS 4 1HZ LYS 4 1.989 -6.360 -2.587 30 HZ3 LYS 4 2HZ LYS 4 0.502 -5.557 -2.641 31 H GLY 5 H GLY 5 5.514 -4.988 -7.554 32 HA2 GLY 5 2HA GLY 5 4.951 -4.074 -9.594 33 HA3 GLY 5 3HA GLY 5 3.321 -4.512 -9.106 34 H GLU 6 H GLU 6 5.363 -2.087 -7.564 35 HA GLU 6 HA GLU 6 3.601 0.013 -8.629 36 HB2 GLU 6 2HB GLU 6 2.952 0.728 -6.595 37 HB3 GLU 6 3HB GLU 6 3.422 -0.878 -6.057 38 HG2 GLU 6 2HG GLU 6 4.622 0.283 -4.557 39 HG3 GLU 6 3HG GLU 6 5.790 0.360 -5.875 40 H TYR 7 H TYR 7 4.524 2.189 -8.490 41 HA TYR 7 HA TYR 7 7.005 2.421 -9.635 42 HB2 TYR 7 2HB TYR 7 5.085 4.181 -9.178 43 HB3 TYR 7 3HB TYR 7 6.105 4.607 -7.808 44 HD1 TYR 7 HD2 TYR 7 8.556 5.192 -8.303 45 HD2 TYR 7 HD1 TYR 7 5.543 5.038 -11.303 46 HE1 TYR 7 HE2 TYR 7 9.955 6.583 -9.771 47 HE2 TYR 7 HE1 TYR 7 6.935 6.428 -12.780 48 HH TYR 7 HH TYR 7 9.354 8.260 -11.838 49 H CYS 8 H CYS 8 9.071 3.002 -8.904 50 HA CYS 8 HA CYS 8 9.611 2.998 -6.050 51 HB2 CYS 8 2HB CYS 8 9.709 0.637 -6.479 52 HB3 CYS 8 3HB CYS 8 10.691 0.885 -7.920 53 H SER 9 H SER 9 11.469 4.076 -5.508 54 HA SER 9 HA SER 9 13.424 4.764 -7.526 55 HB2 SER 9 2HB SER 9 13.171 7.181 -7.282 56 HB3 SER 9 3HB SER 9 11.662 6.473 -7.858 57 HG SER 9 HG SER 9 12.285 7.552 -5.344 58 H VAL 10 H VAL 10 14.944 6.567 -6.402 59 HA VAL 10 HA VAL 10 16.289 5.268 -4.345 60 HB VAL 10 HB VAL 10 17.496 7.403 -3.985 61 HG11 VAL 10 1HG1 VAL 10 17.305 7.213 -6.931 62 HG12 VAL 10 2HG1 VAL 10 18.719 7.154 -5.878 63 HG13 VAL 10 3HG1 VAL 10 17.694 5.731 -6.060 64 HG21 VAL 10 3HG2 VAL 10 15.320 8.448 -5.764 65 HG22 VAL 10 1HG2 VAL 10 15.898 9.086 -4.225 66 HG23 VAL 10 2HG2 VAL 10 16.890 9.244 -5.674 67 H TYR 11 H TYR 11 13.832 7.794 -4.205 68 HA TYR 11 HA TYR 11 14.004 7.934 -1.307 69 HB2 TYR 11 2HB TYR 11 12.136 9.617 -1.593 70 HB3 TYR 11 3HB TYR 11 13.659 10.038 -2.370 71 HD1 TYR 11 HD2 TYR 11 10.225 8.824 -2.969 72 HD2 TYR 11 HD1 TYR 11 13.810 10.284 -4.736 73 HE1 TYR 11 HE2 TYR 11 9.047 9.110 -5.110 74 HE2 TYR 11 HE1 TYR 11 12.642 10.574 -6.881 75 HH TYR 11 HH TYR 11 9.176 9.880 -7.193 76 H LEU 12 H LEU 12 12.059 6.462 -3.773 77 HA LEU 12 HA LEU 12 9.954 5.743 -1.894 78 HB2 LEU 12 2HB LEU 12 9.988 6.253 -4.603 79 HB3 LEU 12 3HB LEU 12 9.855 4.497 -4.525 80 HG LEU 12 HG LEU 12 7.652 5.326 -4.689 81 HD11 LEU 12 1HD1 LEU 12 6.677 4.271 -2.915 82 HD12 LEU 12 2HD1 LEU 12 7.770 4.996 -1.736 83 HD13 LEU 12 3HD1 LEU 12 8.326 3.668 -2.755 84 HD21 LEU 12 3HD2 LEU 12 6.781 6.995 -3.023 85 HD22 LEU 12 1HD2 LEU 12 7.939 7.630 -4.190 86 HD23 LEU 12 2HD2 LEU 12 8.454 7.278 -2.540 87 H GLN 13 H GLN 13 10.644 4.205 -0.508 88 HA GLN 13 HA GLN 13 12.221 1.960 -1.464 89 HB2 GLN 13 2HB GLN 13 12.259 3.296 0.882 90 HB3 GLN 13 3HB GLN 13 11.191 1.967 1.311 91 HG2 GLN 13 2HG GLN 13 13.488 1.451 1.878 92 HG3 GLN 13 3HG GLN 13 12.893 0.366 0.622 93 HE21 GLN 13 1HE2 GLN 13 14.257 0.006 -0.961 94 HE22 GLN 13 2HE2 GLN 13 15.497 1.077 -1.508 95 H CYS 14 H CYS 14 11.592 -0.260 -0.977 96 HA CYS 14 HA CYS 14 8.669 -0.636 -1.006 97 HB2 CYS 14 2HB CYS 14 10.265 -1.125 -3.142 98 HB3 CYS 14 3HB CYS 14 10.329 -2.689 -2.337 99 H CYS 15 H CYS 15 7.852 -2.474 0.034 100 HA CYS 15 HA CYS 15 9.579 -3.483 2.153 101 HB2 CYS 15 2HB CYS 15 6.761 -2.949 1.862 102 HB3 CYS 15 3HB CYS 15 7.007 -4.608 2.398 103 H ASP 16 H ASP 16 10.607 -5.349 1.957 104 HA ASP 16 HA ASP 16 10.498 -7.069 -0.187 105 HB2 ASP 16 2HB ASP 16 11.626 -7.140 2.510 106 HB3 ASP 16 3HB ASP 16 11.218 -8.739 1.893 107 HA PRO 17 HA PRO 17 11.072 -9.519 -0.071 108 HB2 PRO 17 2HB PRO 17 10.071 -11.148 -1.999 109 HB3 PRO 17 3HB PRO 17 10.284 -11.663 -0.322 110 HG2 PRO 17 2HG PRO 17 7.805 -10.728 -1.716 111 HG3 PRO 17 3HG PRO 17 8.011 -12.081 -0.590 112 HD2 PRO 17 2HD PRO 17 6.985 -9.695 0.173 113 HD3 PRO 17 3HD PRO 17 7.947 -10.713 1.264 114 H TYR 18 H TYR 18 8.410 -7.842 -1.372 115 HA TYR 18 HA TYR 18 8.956 -7.531 -4.043 116 HB2 TYR 18 2HB TYR 18 8.161 -5.218 -2.278 117 HB3 TYR 18 3HB TYR 18 7.740 -5.487 -3.965 118 HD1 TYR 18 HD2 TYR 18 7.001 -8.433 -3.685 119 HD2 TYR 18 HD1 TYR 18 5.972 -5.004 -1.385 120 HE1 TYR 18 HE2 TYR 18 4.913 -9.532 -2.990 121 HE2 TYR 18 HE1 TYR 18 3.883 -6.094 -0.684 122 HH TYR 18 HH TYR 18 2.711 -8.942 -2.156 123 H HIS 19 H HIS 19 10.967 -7.304 -4.822 124 HA HIS 19 HA HIS 19 12.761 -5.336 -3.603 125 HB2 HIS 19 2HB HIS 19 14.512 -6.390 -5.008 126 HB3 HIS 19 3HB HIS 19 13.721 -7.541 -3.934 127 HD1 HIS 19 HD1 HIS 19 12.564 -9.512 -4.997 128 HD2 HIS 19 HD2 HIS 19 13.771 -6.663 -7.769 129 HE1 HIS 19 HE1 HIS 19 12.211 -10.574 -7.249 130 H CYS 20 H CYS 20 13.788 -3.723 -4.836 131 HA CYS 20 HA CYS 20 12.151 -2.701 -6.991 132 HB2 CYS 20 2HB CYS 20 13.197 -1.321 -5.094 133 HB3 CYS 20 3HB CYS 20 14.711 -1.475 -5.981 134 H THR 21 H THR 21 12.982 -2.074 -9.056 135 HA THR 21 HA THR 21 15.040 -3.922 -10.020 136 HB THR 21 HB THR 21 14.209 -3.202 -12.304 137 HG1 THR 21 HG1 THR 21 12.081 -2.224 -12.244 138 HG21 THR 21 3HG2 THR 21 12.665 -4.879 -12.311 139 HG22 THR 21 1HG2 THR 21 11.864 -4.299 -10.852 140 HG23 THR 21 2HG2 THR 21 13.381 -5.191 -10.730 141 H GLN 22 H GLN 22 14.060 -0.595 -10.863 142 HA GLN 22 HA GLN 22 16.869 0.220 -10.707 143 HB2 GLN 22 2HB GLN 22 15.066 0.718 -13.082 144 HB3 GLN 22 3HB GLN 22 16.649 1.448 -12.852 145 HG2 GLN 22 2HG GLN 22 16.748 -1.433 -12.615 146 HG3 GLN 22 3HG GLN 22 16.091 -0.916 -14.166 147 HE21 GLN 22 1HE2 GLN 22 17.996 -1.829 -15.106 148 HE22 GLN 22 2HE2 GLN 22 19.475 -0.938 -15.111 149 HA PRO 23 HA PRO 23 14.071 3.239 -8.619 150 HB2 PRO 23 2HB PRO 23 15.735 3.655 -6.516 151 HB3 PRO 23 3HB PRO 23 14.571 2.326 -6.571 152 HG2 PRO 23 2HG PRO 23 17.506 2.297 -7.154 153 HG3 PRO 23 3HG PRO 23 16.536 1.130 -6.238 154 HD2 PRO 23 2HD PRO 23 17.287 0.704 -8.805 155 HD3 PRO 23 3HD PRO 23 15.757 0.092 -8.144 156 H VAL 24 H VAL 24 17.146 3.271 -10.028 157 HA VAL 24 HA VAL 24 17.734 6.048 -9.441 158 HB VAL 24 HB VAL 24 19.605 4.518 -9.646 159 HG11 VAL 24 1HG1 VAL 24 19.797 2.957 -11.226 160 HG12 VAL 24 2HG1 VAL 24 18.144 3.366 -11.690 161 HG13 VAL 24 3HG1 VAL 24 19.507 4.120 -12.519 162 HG21 VAL 24 3HG2 VAL 24 19.815 6.162 -12.126 163 HG22 VAL 24 1HG2 VAL 24 19.603 6.967 -10.572 164 HG23 VAL 24 2HG2 VAL 24 20.993 5.914 -10.838 165 H ILE 25 H ILE 25 16.427 4.132 -12.075 166 HA ILE 25 HA ILE 25 16.023 6.608 -13.622 167 HB ILE 25 HB ILE 25 15.893 5.250 -15.631 168 HG12 ILE 25 2HG1 ILE 25 15.799 3.062 -13.661 169 HG13 ILE 25 3HG1 ILE 25 15.117 3.150 -15.282 170 HG21 ILE 25 1HG2 ILE 25 18.100 6.052 -14.721 171 HG22 ILE 25 2HG2 ILE 25 18.350 4.419 -14.107 172 HG23 ILE 25 3HG2 ILE 25 18.189 4.693 -15.841 173 HD11 ILE 25 3HD1 ILE 25 16.715 1.424 -15.314 174 HD12 ILE 25 1HD1 ILE 25 17.453 2.791 -16.149 175 HD13 ILE 25 2HD1 ILE 25 17.916 2.417 -14.489 176 H GLY 26 H GLY 26 14.355 5.350 -11.445 177 HA2 GLY 26 2HA GLY 26 12.090 5.310 -11.017 178 HA3 GLY 26 3HA GLY 26 11.819 5.810 -12.681 179 H GLY 27 H GLY 27 12.369 3.049 -10.568 180 HA2 GLY 27 2HA GLY 27 11.364 1.292 -12.718 181 HA3 GLY 27 3HA GLY 27 12.417 0.761 -11.413 182 H ILE 28 H ILE 28 10.890 -0.907 -10.956 183 HA ILE 28 HA ILE 28 8.758 0.023 -9.189 184 HB ILE 28 HB ILE 28 7.317 -1.897 -10.189 185 HG12 ILE 28 2HG1 ILE 28 8.491 -1.200 -12.809 186 HG13 ILE 28 3HG1 ILE 28 9.477 -2.252 -11.801 187 HG21 ILE 28 1HG2 ILE 28 6.976 0.034 -12.191 188 HG22 ILE 28 2HG2 ILE 28 6.117 -0.088 -10.657 189 HG23 ILE 28 3HG2 ILE 28 7.572 0.900 -10.775 190 HD11 ILE 28 3HD1 ILE 28 6.607 -2.922 -12.162 191 HD12 ILE 28 1HD1 ILE 28 7.725 -3.223 -13.491 192 HD13 ILE 28 2HD1 ILE 28 7.997 -3.981 -11.922 193 H CYS 29 H CYS 29 7.718 -1.992 -8.092 194 HA CYS 29 HA CYS 29 9.932 -3.577 -7.049 195 HB2 CYS 29 2HB CYS 29 7.072 -3.459 -6.073 196 HB3 CYS 29 3HB CYS 29 8.455 -4.136 -5.218 197 H ALA 30 H ALA 30 9.985 -5.812 -7.033 198 HA ALA 30 HA ALA 30 7.860 -7.262 -8.424 199 HB1 ALA 30 1HB ALA 30 9.992 -8.494 -9.524 200 HB2 ALA 30 2HB ALA 30 9.095 -7.193 -10.306 201 HB3 ALA 30 3HB ALA 30 10.589 -6.837 -9.441 Start of MODEL 10 1 H1 CYS 1 H CYS 1 7.962 2.296 4.129 2 HA CYS 1 HA CYS 1 8.506 1.549 2.023 3 HB2 CYS 1 2HB CYS 1 7.910 -1.010 1.873 4 HB3 CYS 1 3HB CYS 1 9.104 -0.437 3.034 5 H ALA 2 H ALA 2 7.639 0.143 0.086 6 HA ALA 2 HA ALA 2 4.832 0.918 -0.380 7 HB1 ALA 2 1HB ALA 2 7.117 0.915 -2.347 8 HB2 ALA 2 2HB ALA 2 5.429 1.225 -2.756 9 HB3 ALA 2 3HB ALA 2 6.294 2.328 -1.687 10 H GLN 3 H GLN 3 3.699 -0.400 -2.004 11 HA GLN 3 HA GLN 3 4.324 -3.212 -1.609 12 HB2 GLN 3 2HB GLN 3 1.929 -1.640 -2.201 13 HB3 GLN 3 3HB GLN 3 2.037 -3.119 -3.145 14 HG2 GLN 3 2HG GLN 3 1.112 -4.124 -1.395 15 HG3 GLN 3 3HG GLN 3 2.685 -3.964 -0.617 16 HE21 GLN 3 1HE2 GLN 3 -0.237 -3.853 0.274 17 HE22 GLN 3 2HE2 GLN 3 -0.301 -2.444 1.271 18 H LYS 4 H LYS 4 4.435 -4.728 -3.330 19 HA LYS 4 HA LYS 4 6.101 -4.055 -5.431 20 HB2 LYS 4 2HB LYS 4 5.142 -6.228 -6.483 21 HB3 LYS 4 3HB LYS 4 6.024 -6.328 -4.965 22 HG2 LYS 4 2HG LYS 4 4.077 -7.710 -4.823 23 HG3 LYS 4 3HG LYS 4 3.858 -6.318 -3.761 24 HD2 LYS 4 2HD LYS 4 2.872 -5.840 -6.457 25 HD3 LYS 4 3HD LYS 4 2.077 -7.209 -5.676 26 HE2 LYS 4 2HE LYS 4 2.291 -4.385 -4.643 27 HE3 LYS 4 3HE LYS 4 0.833 -5.212 -5.191 28 HZ1 LYS 4 3HZ LYS 4 0.573 -5.633 -3.019 29 HZ2 LYS 4 1HZ LYS 4 2.204 -5.375 -2.649 30 HZ3 LYS 4 2HZ LYS 4 1.704 -6.866 -3.273 31 H GLY 5 H GLY 5 5.384 -4.671 -7.830 32 HA2 GLY 5 2HA GLY 5 4.352 -3.850 -9.710 33 HA3 GLY 5 3HA GLY 5 2.862 -4.088 -8.809 34 H GLU 6 H GLU 6 5.206 -1.915 -7.513 35 HA GLU 6 HA GLU 6 3.676 0.380 -8.541 36 HB2 GLU 6 2HB GLU 6 4.700 0.076 -5.712 37 HB3 GLU 6 3HB GLU 6 3.817 1.452 -6.356 38 HG2 GLU 6 2HG GLU 6 2.427 -1.089 -6.698 39 HG3 GLU 6 3HG GLU 6 2.721 -0.656 -5.014 40 H TYR 7 H TYR 7 4.834 2.390 -8.604 41 HA TYR 7 HA TYR 7 7.434 2.164 -9.621 42 HB2 TYR 7 2HB TYR 7 5.779 4.027 -10.060 43 HB3 TYR 7 3HB TYR 7 6.215 4.685 -8.487 44 HD1 TYR 7 HD1 TYR 7 7.829 3.554 -11.663 45 HD2 TYR 7 HD2 TYR 7 7.897 6.268 -8.387 46 HE1 TYR 7 HE1 TYR 7 9.722 4.739 -12.692 47 HE2 TYR 7 HE2 TYR 7 9.790 7.461 -9.408 48 HH TYR 7 HH TYR 7 10.601 7.493 -12.302 49 H CYS 8 H CYS 8 9.340 1.979 -8.656 50 HA CYS 8 HA CYS 8 9.564 2.774 -5.827 51 HB2 CYS 8 2HB CYS 8 9.696 0.366 -6.011 52 HB3 CYS 8 3HB CYS 8 10.904 0.490 -7.285 53 H SER 9 H SER 9 11.361 3.904 -5.179 54 HA SER 9 HA SER 9 13.624 4.320 -6.875 55 HB2 SER 9 2HB SER 9 13.323 6.696 -7.301 56 HB3 SER 9 3HB SER 9 11.957 5.804 -7.968 57 HG SER 9 HG SER 9 10.729 6.976 -6.750 58 H VAL 10 H VAL 10 14.876 6.384 -5.913 59 HA VAL 10 HA VAL 10 15.764 5.696 -3.395 60 HB VAL 10 HB VAL 10 16.712 8.010 -3.258 61 HG11 VAL 10 1HG1 VAL 10 17.792 6.078 -4.456 62 HG12 VAL 10 2HG1 VAL 10 17.154 6.750 -5.957 63 HG13 VAL 10 3HG1 VAL 10 18.301 7.679 -4.992 64 HG21 VAL 10 3HG2 VAL 10 16.444 9.501 -5.170 65 HG22 VAL 10 1HG2 VAL 10 15.314 8.366 -5.908 66 HG23 VAL 10 2HG2 VAL 10 14.889 9.180 -4.402 67 H TYR 11 H TYR 11 13.058 7.702 -4.294 68 HA TYR 11 HA TYR 11 12.655 8.583 -1.543 69 HB2 TYR 11 2HB TYR 11 10.893 9.196 -3.913 70 HB3 TYR 11 3HB TYR 11 11.011 10.079 -2.395 71 HD1 TYR 11 HD2 TYR 11 13.437 11.031 -1.880 72 HD2 TYR 11 HD1 TYR 11 11.983 10.054 -5.758 73 HE1 TYR 11 HE2 TYR 11 15.107 12.535 -2.879 74 HE2 TYR 11 HE1 TYR 11 13.650 11.555 -6.768 75 HH TYR 11 HH TYR 11 15.662 12.644 -6.311 76 H LEU 12 H LEU 12 11.198 6.502 -3.974 77 HA LEU 12 HA LEU 12 8.998 5.800 -2.207 78 HB2 LEU 12 2HB LEU 12 9.644 5.453 -5.052 79 HB3 LEU 12 3HB LEU 12 8.788 4.100 -4.314 80 HG LEU 12 HG LEU 12 7.535 6.622 -3.653 81 HD11 LEU 12 1HD1 LEU 12 7.199 6.021 -6.530 82 HD12 LEU 12 2HD1 LEU 12 8.664 6.880 -6.055 83 HD13 LEU 12 3HD1 LEU 12 7.081 7.554 -5.666 84 HD21 LEU 12 3HD2 LEU 12 6.123 4.726 -5.370 85 HD22 LEU 12 1HD2 LEU 12 5.702 5.347 -3.774 86 HD23 LEU 12 2HD2 LEU 12 6.824 3.994 -3.926 87 H GLN 13 H GLN 13 10.033 4.734 -0.513 88 HA GLN 13 HA GLN 13 11.908 2.655 -0.833 89 HB2 GLN 13 2HB GLN 13 11.322 4.017 1.276 90 HB3 GLN 13 3HB GLN 13 10.020 2.856 1.501 91 HG2 GLN 13 2HG GLN 13 11.939 2.230 2.820 92 HG3 GLN 13 3HG GLN 13 11.657 1.038 1.552 93 HE21 GLN 13 1HE2 GLN 13 13.529 0.281 0.886 94 HE22 GLN 13 2HE2 GLN 13 14.942 1.214 0.545 95 H CYS 14 H CYS 14 11.654 0.390 -0.550 96 HA CYS 14 HA CYS 14 8.941 -0.616 -1.099 97 HB2 CYS 14 2HB CYS 14 10.640 -0.585 -3.070 98 HB3 CYS 14 3HB CYS 14 11.380 -1.948 -2.237 99 H CYS 15 H CYS 15 8.324 -2.448 -0.040 100 HA CYS 15 HA CYS 15 10.153 -3.399 2.045 101 HB2 CYS 15 2HB CYS 15 7.313 -2.871 1.930 102 HB3 CYS 15 3HB CYS 15 7.615 -4.523 2.458 103 H ASP 16 H ASP 16 11.154 -5.268 1.759 104 HA ASP 16 HA ASP 16 10.876 -6.952 -0.409 105 HB2 ASP 16 2HB ASP 16 12.259 -7.026 2.154 106 HB3 ASP 16 3HB ASP 16 11.771 -8.631 1.615 107 HA PRO 17 HA PRO 17 11.482 -9.412 -0.340 108 HB2 PRO 17 2HB PRO 17 10.341 -11.045 -2.184 109 HB3 PRO 17 3HB PRO 17 10.690 -11.560 -0.529 110 HG2 PRO 17 2HG PRO 17 8.102 -10.640 -1.722 111 HG3 PRO 17 3HG PRO 17 8.406 -11.993 -0.617 112 HD2 PRO 17 2HD PRO 17 7.428 -9.613 0.228 113 HD3 PRO 17 3HD PRO 17 8.481 -10.625 1.238 114 H TYR 18 H TYR 18 8.720 -7.742 -1.418 115 HA TYR 18 HA TYR 18 9.012 -7.426 -4.119 116 HB2 TYR 18 2HB TYR 18 8.439 -5.112 -2.269 117 HB3 TYR 18 3HB TYR 18 7.871 -5.337 -3.918 118 HD1 TYR 18 HD1 TYR 18 7.125 -8.301 -3.572 119 HD2 TYR 18 HD2 TYR 18 6.299 -4.832 -1.251 120 HE1 TYR 18 HE1 TYR 18 5.075 -9.364 -2.721 121 HE2 TYR 18 HE2 TYR 18 4.249 -5.886 -0.394 122 HH TYR 18 HH TYR 18 2.674 -8.134 -1.649 123 H HIS 19 H HIS 19 10.932 -7.234 -5.105 124 HA HIS 19 HA HIS 19 12.858 -5.264 -4.092 125 HB2 HIS 19 2HB HIS 19 14.488 -6.400 -5.567 126 HB3 HIS 19 3HB HIS 19 13.758 -7.504 -4.403 127 HD1 HIS 19 HD1 HIS 19 12.175 -9.329 -5.332 128 HD2 HIS 19 HD2 HIS 19 13.888 -6.916 -8.247 129 HE1 HIS 19 HE1 HIS 19 11.740 -10.500 -7.513 130 H CYS 20 H CYS 20 13.514 -3.537 -5.282 131 HA CYS 20 HA CYS 20 11.818 -2.694 -7.431 132 HB2 CYS 20 2HB CYS 20 14.382 -1.369 -6.553 133 HB3 CYS 20 3HB CYS 20 12.995 -0.625 -7.344 134 H THR 21 H THR 21 12.430 -2.221 -9.572 135 HA THR 21 HA THR 21 14.582 -3.943 -10.565 136 HB THR 21 HB THR 21 13.528 -3.532 -12.813 137 HG1 THR 21 HG1 THR 21 11.235 -2.762 -12.519 138 HG21 THR 21 3HG2 THR 21 12.455 -5.447 -12.439 139 HG22 THR 21 1HG2 THR 21 11.233 -4.619 -11.476 140 HG23 THR 21 2HG2 THR 21 12.706 -5.212 -10.710 141 H GLN 22 H GLN 22 13.667 -0.620 -10.249 142 HA GLN 22 HA GLN 22 16.266 0.212 -11.202 143 HB2 GLN 22 2HB GLN 22 13.720 0.963 -12.623 144 HB3 GLN 22 3HB GLN 22 15.157 1.974 -12.703 145 HG2 GLN 22 2HG GLN 22 15.546 0.748 -14.546 146 HG3 GLN 22 3HG GLN 22 16.250 -0.365 -13.374 147 HE21 GLN 22 1HE2 GLN 22 15.866 -2.168 -14.628 148 HE22 GLN 22 2HE2 GLN 22 14.282 -2.805 -14.883 149 HA PRO 23 HA PRO 23 14.781 2.648 -7.613 150 HB2 PRO 23 2HB PRO 23 17.235 2.842 -6.469 151 HB3 PRO 23 3HB PRO 23 16.176 1.445 -6.241 152 HG2 PRO 23 2HG PRO 23 18.502 1.777 -8.097 153 HG3 PRO 23 3HG PRO 23 18.068 0.387 -7.084 154 HD2 PRO 23 2HD PRO 23 17.535 0.479 -9.737 155 HD3 PRO 23 3HD PRO 23 16.489 -0.371 -8.582 156 H VAL 24 H VAL 24 17.910 3.172 -9.254 157 HA VAL 24 HA VAL 24 17.456 6.067 -9.100 158 HB VAL 24 HB VAL 24 19.631 5.122 -8.290 159 HG11 VAL 24 1HG1 VAL 24 19.749 3.399 -10.133 160 HG12 VAL 24 2HG1 VAL 24 20.268 4.704 -11.202 161 HG13 VAL 24 3HG1 VAL 24 21.244 4.270 -9.797 162 HG21 VAL 24 3HG2 VAL 24 20.689 6.769 -10.374 163 HG22 VAL 24 1HG2 VAL 24 19.125 7.404 -9.863 164 HG23 VAL 24 2HG2 VAL 24 20.409 7.167 -8.679 165 H ILE 25 H ILE 25 16.564 3.776 -11.125 166 HA ILE 25 HA ILE 25 17.067 5.422 -13.517 167 HB ILE 25 HB ILE 25 16.508 2.911 -14.508 168 HG12 ILE 25 2HG1 ILE 25 16.996 2.273 -11.983 169 HG13 ILE 25 3HG1 ILE 25 17.570 1.263 -13.304 170 HG21 ILE 25 1HG2 ILE 25 19.069 4.414 -14.082 171 HG22 ILE 25 2HG2 ILE 25 19.026 2.881 -14.950 172 HG23 ILE 25 3HG2 ILE 25 18.109 4.260 -15.553 173 HD11 ILE 25 3HD1 ILE 25 19.140 1.986 -11.322 174 HD12 ILE 25 1HD1 ILE 25 19.746 1.828 -12.970 175 HD13 ILE 25 2HD1 ILE 25 19.351 3.421 -12.324 176 H GLY 26 H GLY 26 14.792 4.869 -11.401 177 HA2 GLY 26 2HA GLY 26 12.505 5.086 -11.446 178 HA3 GLY 26 3HA GLY 26 12.653 5.499 -13.148 179 H GLY 27 H GLY 27 11.863 3.055 -10.864 180 HA2 GLY 27 2HA GLY 27 10.836 1.393 -13.029 181 HA3 GLY 27 3HA GLY 27 12.036 0.653 -11.981 182 H ILE 28 H ILE 28 10.450 -0.907 -11.375 183 HA ILE 28 HA ILE 28 8.680 0.086 -9.258 184 HB ILE 28 HB ILE 28 6.955 -1.597 -9.970 185 HG12 ILE 28 2HG1 ILE 28 7.698 -1.607 -12.759 186 HG13 ILE 28 3HG1 ILE 28 8.973 -2.337 -11.789 187 HG21 ILE 28 1HG2 ILE 28 6.569 -0.054 -12.213 188 HG22 ILE 28 2HG2 ILE 28 6.063 0.357 -10.576 189 HG23 ILE 28 3HG2 ILE 28 7.596 0.961 -11.202 190 HD11 ILE 28 3HD1 ILE 28 7.249 -3.915 -12.674 191 HD12 ILE 28 1HD1 ILE 28 7.496 -3.974 -10.929 192 HD13 ILE 28 2HD1 ILE 28 6.088 -3.144 -11.594 193 H CYS 29 H CYS 29 7.648 -2.045 -8.184 194 HA CYS 29 HA CYS 29 9.956 -3.738 -7.511 195 HB2 CYS 29 2HB CYS 29 7.563 -2.823 -5.946 196 HB3 CYS 29 3HB CYS 29 8.449 -4.264 -5.458 197 H ALA 30 H ALA 30 9.676 -5.989 -7.245 198 HA ALA 30 HA ALA 30 7.230 -7.097 -8.453 199 HB1 ALA 30 1HB ALA 30 9.984 -7.343 -9.365 200 HB2 ALA 30 2HB ALA 30 9.185 -8.901 -9.147 201 HB3 ALA 30 3HB ALA 30 8.474 -7.688 -10.210
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