NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
571689 | 2mh1 | 19611 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -10.178 2.588 6.140 2 HA2 GLY 1 2HA GLY 1 -9.475 3.811 8.692 3 HA3 GLY 1 1HA GLY 1 -8.275 2.793 7.892 4 H GLY 2 H GLY 2 -7.090 4.920 7.887 5 HA2 GLY 2 2HA GLY 2 -8.023 6.818 5.913 6 HA3 GLY 2 1HA GLY 2 -6.533 6.924 6.850 7 H GLY 3 H GLY 3 -8.040 4.965 4.348 8 HA2 GLY 3 2HA GLY 3 -7.163 4.252 2.308 9 HA3 GLY 3 1HA GLY 3 -5.651 5.076 2.706 10 H CYS 4 H CYS 4 -4.041 3.691 2.886 11 HA CYS 4 HA CYS 4 -4.380 1.448 4.676 12 HB2 CYS 4 2HB CYS 4 -3.122 1.109 1.895 13 HB3 CYS 4 1HB CYS 4 -3.061 -0.046 3.201 14 H GLY 5 H GLY 5 -3.028 1.932 6.232 15 HA2 GLY 5 2HA GLY 5 -0.788 3.683 5.739 16 HA3 GLY 5 1HA GLY 5 -1.336 3.078 7.293 17 H GLU 6 H GLU 6 -0.999 0.615 5.067 18 HA GLU 6 HA GLU 6 1.407 -0.234 6.456 19 HB2 GLU 6 2HB GLU 6 1.018 -2.477 5.502 20 HB3 GLU 6 1HB GLU 6 -0.385 -1.904 6.382 21 HG2 GLU 6 2HG GLU 6 -1.489 -1.360 4.274 22 HG3 GLU 6 1HG GLU 6 -0.065 -1.910 3.388 23 H THR 7 H THR 7 3.229 -1.085 5.226 24 HA THR 7 HA THR 7 3.447 0.322 2.721 25 HB THR 7 HB THR 7 5.911 -0.113 3.204 26 HG1 THR 7 1HG THR 7 5.462 0.065 5.897 27 HG21 THR 7 3HG2 THR 7 4.945 2.086 3.246 28 HG22 THR 7 1HG2 THR 7 6.042 1.927 4.614 29 HG23 THR 7 2HG2 THR 7 4.297 1.815 4.864 30 H CYS 8 H CYS 8 4.824 -0.761 1.085 31 HA CYS 8 HA CYS 8 4.545 -3.677 1.185 32 HB2 CYS 8 2HB CYS 8 4.052 -3.552 -1.225 33 HB3 CYS 8 1HB CYS 8 2.828 -2.841 -0.177 34 H VAL 9 H VAL 9 6.692 -2.151 1.897 35 HA VAL 9 HA VAL 9 8.663 -1.547 0.013 36 HB VAL 9 HB VAL 9 9.258 -2.732 2.729 37 HG11 VAL 9 1HG1 VAL 9 11.217 -2.578 1.406 38 HG12 VAL 9 2HG1 VAL 9 11.274 -1.300 2.624 39 HG13 VAL 9 3HG1 VAL 9 10.848 -0.917 0.956 40 HG21 VAL 9 3HG2 VAL 9 8.630 0.126 2.010 41 HG22 VAL 9 1HG2 VAL 9 9.279 -0.406 3.565 42 HG23 VAL 9 2HG2 VAL 9 7.691 -0.954 3.048 43 H GLY 10 H GLY 10 7.915 -4.666 1.456 44 HA2 GLY 10 2HA GLY 10 10.084 -6.082 0.309 45 HA3 GLY 10 1HA GLY 10 8.609 -6.800 0.941 46 H GLY 11 H GLY 11 6.796 -5.400 -0.809 47 HA2 GLY 11 2HA GLY 11 7.272 -5.284 -3.421 48 HA3 GLY 11 1HA GLY 11 7.243 -7.020 -3.177 49 H THR 12 H THR 12 4.928 -6.399 -1.017 50 HA THR 12 HA THR 12 2.807 -5.612 -2.741 51 HB THR 12 HB THR 12 2.914 -8.464 -1.663 52 HG1 THR 12 1HG THR 12 4.022 -7.457 -3.842 53 HG21 THR 12 3HG2 THR 12 0.934 -8.866 -3.080 54 HG22 THR 12 1HG2 THR 12 0.964 -7.180 -3.595 55 HG23 THR 12 2HG2 THR 12 0.625 -7.583 -1.910 56 H CYS 13 H CYS 13 0.847 -5.717 -1.424 57 HA CYS 13 HA CYS 13 1.355 -5.033 1.375 58 HB2 CYS 13 2HB CYS 13 -1.197 -4.765 -0.229 59 HB3 CYS 13 1HB CYS 13 -0.848 -4.026 1.330 60 H ASN 14 H ASN 14 -0.340 -5.823 2.952 61 HA ASN 14 HA ASN 14 -0.648 -8.708 2.530 62 HB2 ASN 14 2HB ASN 14 -0.904 -7.046 5.048 63 HB3 ASN 14 1HB ASN 14 -1.112 -8.791 4.976 64 HD21 ASN 14 1HD2 ASN 14 1.132 -6.177 4.794 65 HD22 ASN 14 2HD2 ASN 14 2.571 -7.112 4.925 66 H THR 15 H THR 15 -2.452 -5.815 3.041 67 HA THR 15 HA THR 15 -4.960 -7.258 3.128 68 HB THR 15 HB THR 15 -4.472 -4.267 2.980 69 HG1 THR 15 1HG THR 15 -3.548 -4.682 4.843 70 HG21 THR 15 3HG2 THR 15 -6.683 -4.126 4.053 71 HG22 THR 15 1HG2 THR 15 -6.809 -5.885 4.034 72 HG23 THR 15 2HG2 THR 15 -6.787 -4.985 2.517 73 HA PRO 16 HA PRO 16 -4.902 -7.147 -1.360 74 HB2 PRO 16 2HB PRO 16 -7.234 -8.424 -1.847 75 HB3 PRO 16 1HB PRO 16 -5.776 -9.255 -1.283 76 HG2 PRO 16 2HG PRO 16 -8.141 -8.331 0.289 77 HG3 PRO 16 1HG PRO 16 -7.283 -9.878 0.386 78 HD2 PRO 16 2HD PRO 16 -6.862 -7.859 2.156 79 HD3 PRO 16 1HD PRO 16 -5.585 -8.995 1.677 80 H GLY 17 H GLY 17 -6.792 -5.567 0.469 81 HA2 GLY 17 2HA GLY 17 -8.411 -4.173 -1.577 82 HA3 GLY 17 1HA GLY 17 -8.455 -3.799 0.146 83 H CYS 18 H CYS 18 -5.367 -3.988 -0.231 84 HA CYS 18 HA CYS 18 -5.012 -1.141 -0.834 85 HB2 CYS 18 2HB CYS 18 -3.131 -2.985 0.672 86 HB3 CYS 18 1HB CYS 18 -3.112 -1.240 0.552 87 H THR 19 H THR 19 -3.507 -0.532 -2.215 88 HA THR 19 HA THR 19 -2.410 -2.582 -4.005 89 HB THR 19 HB THR 19 -2.836 0.333 -4.553 90 HG1 THR 19 1HG THR 19 -4.568 -1.403 -5.780 91 HG21 THR 19 3HG2 THR 19 -2.524 -2.061 -6.387 92 HG22 THR 19 1HG2 THR 19 -1.308 -0.822 -6.081 93 HG23 THR 19 2HG2 THR 19 -2.798 -0.407 -6.929 94 H CYS 20 H CYS 20 -0.231 -2.189 -4.633 95 HA CYS 20 HA CYS 20 1.251 -0.798 -2.611 96 HB2 CYS 20 2HB CYS 20 1.866 -3.064 -3.225 97 HB3 CYS 20 1HB CYS 20 2.108 -2.546 -4.888 98 H SER 21 H SER 21 1.728 1.233 -2.888 99 HA SER 21 HA SER 21 2.485 2.220 -5.499 100 HB2 SER 21 2HB SER 21 1.400 3.601 -3.017 101 HB3 SER 21 1HB SER 21 1.892 4.415 -4.500 102 HG SER 21 HG SER 21 0.325 2.886 -5.488 103 H TRP 22 H TRP 22 4.348 0.865 -4.752 104 HA TRP 22 HA TRP 22 5.643 0.753 -2.558 105 HB2 TRP 22 2HB TRP 22 6.056 -0.448 -4.637 106 HB3 TRP 22 1HB TRP 22 7.053 0.903 -5.208 107 HD1 TRP 22 HD TRP 22 7.055 -2.127 -2.954 108 HE1 TRP 22 1HE TRP 22 9.430 -2.513 -1.996 109 HE3 TRP 22 3HE TRP 22 9.272 2.192 -4.486 110 HZ2 TRP 22 2HZ TRP 22 11.865 -1.175 -1.893 111 HZ3 TRP 22 3HZ TRP 22 11.634 2.572 -3.928 112 HH2 TRP 22 HH TRP 22 12.911 0.917 -2.657 113 HA PRO 23 HA PRO 23 7.111 0.592 -1.464 114 HB2 PRO 23 2HB PRO 23 8.073 1.875 0.918 115 HB3 PRO 23 1HB PRO 23 8.958 0.814 -0.186 116 HG2 PRO 23 2HG PRO 23 9.547 3.454 0.089 117 HG3 PRO 23 1HG PRO 23 9.760 2.557 -1.420 118 HD2 PRO 23 2HD PRO 23 7.423 4.290 -0.633 119 HD3 PRO 23 1HD PRO 23 8.372 4.321 -2.144 120 H VAL 24 H VAL 24 4.852 2.920 -1.170 121 HA VAL 24 HA VAL 24 3.905 1.949 1.399 122 HB VAL 24 HB VAL 24 2.504 3.996 1.550 123 HG11 VAL 24 1HG1 VAL 24 4.358 5.572 2.025 124 HG12 VAL 24 2HG1 VAL 24 5.468 4.416 1.284 125 HG13 VAL 24 3HG1 VAL 24 4.575 3.981 2.740 126 HG21 VAL 24 3HG2 VAL 24 3.014 5.926 0.099 127 HG22 VAL 24 1HG2 VAL 24 2.318 4.573 -0.799 128 HG23 VAL 24 2HG2 VAL 24 4.051 4.885 -0.878 129 H CYS 25 H CYS 25 1.648 1.175 1.641 130 HA CYS 25 HA CYS 25 0.478 0.528 -0.835 131 HB2 CYS 25 2HB CYS 25 -0.391 0.045 2.009 132 HB3 CYS 25 1HB CYS 25 -1.093 -0.577 0.549 133 H THR 26 H THR 26 -1.565 1.130 -1.407 134 HA THR 26 HA THR 26 -2.831 3.326 0.035 135 HB THR 26 HB THR 26 -3.613 4.046 -2.253 136 HG1 THR 26 1HG THR 26 -1.321 3.033 -3.465 137 HG21 THR 26 3HG2 THR 26 -1.982 5.319 -0.969 138 HG22 THR 26 1HG2 THR 26 -1.525 5.365 -2.680 139 HG23 THR 26 2HG2 THR 26 -0.692 4.284 -1.542 140 H ARG 27 H ARG 27 -5.193 3.441 -1.266 141 HA ARG 27 HA ARG 27 -6.087 0.712 -1.383 142 HB2 ARG 27 2HB ARG 27 -6.746 1.790 0.794 143 HB3 ARG 27 1HB ARG 27 -7.607 3.013 -0.138 144 HG2 ARG 27 2HG ARG 27 -9.106 1.319 -1.015 145 HG3 ARG 27 1HG ARG 27 -8.223 0.062 -0.151 146 HD2 ARG 27 2HD ARG 27 -9.766 2.346 1.093 147 HD3 ARG 27 1HD ARG 27 -10.274 0.662 1.035 148 HE ARG 27 HE ARG 27 -7.796 1.425 2.432 149 HH11 ARG 27 1HH1 ARG 27 -11.069 -0.010 2.645 150 HH12 ARG 27 2HH1 ARG 27 -10.805 -0.605 4.219 151 HH21 ARG 27 1HH2 ARG 27 -7.565 0.726 4.591 152 HH22 ARG 27 2HH2 ARG 27 -8.799 -0.137 5.379 153 H ASN 28 H ASN 28 -7.217 0.389 -3.040 154 HA ASN 28 HA ASN 28 -7.182 2.486 -5.021 155 HB2 ASN 28 2HB ASN 28 -7.699 0.764 -6.760 156 HB3 ASN 28 1HB ASN 28 -6.244 0.441 -5.832 157 HD21 ASN 28 1HD2 ASN 28 -6.233 -1.313 -4.409 158 HD22 ASN 28 2HD2 ASN 28 -7.420 -2.571 -4.499 159 H GLY 29 H GLY 29 -8.847 3.631 -3.820 160 HA2 GLY 29 2HA GLY 29 -10.858 4.723 -4.089 161 HA3 GLY 29 1HA GLY 29 -11.165 3.703 -5.479 162 H LEU 30 H LEU 30 -10.546 1.843 -2.839 163 HA LEU 30 HA LEU 30 -13.264 0.943 -2.717 164 HB2 LEU 30 2HB LEU 30 -10.709 0.014 -1.452 165 HB3 LEU 30 1HB LEU 30 -12.245 -0.668 -0.967 166 HG LEU 30 HG LEU 30 -11.322 -0.585 -3.775 167 HD11 LEU 30 1HD1 LEU 30 -9.713 -1.929 -2.425 168 HD12 LEU 30 2HD1 LEU 30 -10.668 -2.988 -3.461 169 HD13 LEU 30 3HD1 LEU 30 -11.061 -2.844 -1.747 170 HD21 LEU 30 3HD2 LEU 30 -12.951 -2.396 -4.082 171 HD22 LEU 30 1HD2 LEU 30 -13.686 -0.897 -3.525 172 HD23 LEU 30 2HD2 LEU 30 -13.426 -2.219 -2.392 173 HA PRO 31 HA PRO 31 -14.813 2.979 0.868 174 HB2 PRO 31 2HB PRO 31 -15.173 0.297 2.119 175 HB3 PRO 31 1HB PRO 31 -16.366 1.580 1.879 176 HG2 PRO 31 2HG PRO 31 -16.393 -0.614 0.355 177 HG3 PRO 31 1HG PRO 31 -16.767 0.978 -0.327 178 HD2 PRO 31 2HD PRO 31 -14.261 -0.647 -0.611 179 HD3 PRO 31 1HD PRO 31 -15.010 0.429 -1.770 180 H VAL 32 H VAL 32 -13.869 3.820 2.630 181 HA VAL 32 HA VAL 32 -11.392 2.607 3.335 182 HB VAL 32 HB VAL 32 -10.993 4.852 4.398 183 HG11 VAL 32 1HG1 VAL 32 -9.896 4.176 2.333 184 HG12 VAL 32 2HG1 VAL 32 -10.371 5.868 2.186 185 HG13 VAL 32 3HG1 VAL 32 -11.327 4.608 1.401 186 HG21 VAL 32 3HG2 VAL 32 -12.225 6.765 3.464 187 HG22 VAL 32 1HG2 VAL 32 -13.277 5.708 4.406 188 HG23 VAL 32 2HG2 VAL 32 -13.314 5.652 2.641 189 H THR 33 H THR 33 -11.520 1.255 4.934 190 HA THR 33 HA THR 33 -13.181 1.743 7.212 191 HB THR 33 HB THR 33 -11.870 -0.355 8.013 192 HG1 THR 33 1HG THR 33 -10.746 -1.407 6.466 193 HG21 THR 33 3HG2 THR 33 -13.270 -1.812 6.627 194 HG22 THR 33 1HG2 THR 33 -13.581 -0.471 5.524 195 HG23 THR 33 2HG2 THR 33 -14.177 -0.404 7.182 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.588 8.088 6.357 2 HA2 GLY 1 2HA GLY 1 -8.962 8.709 7.953 3 HA3 GLY 1 1HA GLY 1 -8.357 7.053 7.941 4 H GLY 2 H GLY 2 -6.474 6.835 6.986 5 HA2 GLY 2 2HA GLY 2 -5.638 8.870 5.065 6 HA3 GLY 2 1HA GLY 2 -4.592 7.720 5.890 7 H GLY 3 H GLY 3 -5.988 5.393 5.386 8 HA2 GLY 3 2HA GLY 3 -6.914 4.535 3.110 9 HA3 GLY 3 1HA GLY 3 -5.293 4.995 2.585 10 H CYS 4 H CYS 4 -3.663 3.648 2.975 11 HA CYS 4 HA CYS 4 -4.120 1.544 4.917 12 HB2 CYS 4 2HB CYS 4 -2.854 1.108 2.169 13 HB3 CYS 4 1HB CYS 4 -2.848 -0.049 3.485 14 H GLY 5 H GLY 5 -2.838 1.986 6.480 15 HA2 GLY 5 2HA GLY 5 -0.474 3.567 6.143 16 HA3 GLY 5 1HA GLY 5 -1.046 2.863 7.645 17 H GLU 6 H GLU 6 -0.848 0.574 5.244 18 HA GLU 6 HA GLU 6 1.579 -0.439 6.454 19 HB2 GLU 6 2HB GLU 6 1.098 -2.568 5.342 20 HB3 GLU 6 1HB GLU 6 -0.232 -2.064 6.358 21 HG2 GLU 6 2HG GLU 6 -1.486 -1.363 4.405 22 HG3 GLU 6 1HG GLU 6 -0.125 -1.792 3.364 23 H THR 7 H THR 7 3.339 -1.057 5.216 24 HA THR 7 HA THR 7 3.414 0.325 2.700 25 HB THR 7 HB THR 7 5.904 0.143 3.169 26 HG1 THR 7 1HG THR 7 5.268 0.246 5.881 27 HG21 THR 7 3HG2 THR 7 4.709 2.247 3.236 28 HG22 THR 7 1HG2 THR 7 5.873 2.201 4.559 29 HG23 THR 7 2HG2 THR 7 4.158 1.921 4.878 30 H CYS 8 H CYS 8 4.624 -0.740 1.012 31 HA CYS 8 HA CYS 8 4.523 -3.659 1.248 32 HB2 CYS 8 2HB CYS 8 4.062 -3.660 -1.166 33 HB3 CYS 8 1HB CYS 8 2.805 -2.944 -0.169 34 H VAL 9 H VAL 9 6.639 -2.114 1.920 35 HA VAL 9 HA VAL 9 8.602 -1.606 -0.032 36 HB VAL 9 HB VAL 9 9.248 -2.615 2.749 37 HG11 VAL 9 1HG1 VAL 9 11.166 -2.477 1.298 38 HG12 VAL 9 2HG1 VAL 9 11.251 -1.222 2.536 39 HG13 VAL 9 3HG1 VAL 9 10.772 -0.808 0.891 40 HG21 VAL 9 3HG2 VAL 9 7.647 -0.824 2.993 41 HG22 VAL 9 1HG2 VAL 9 8.585 0.210 1.913 42 HG23 VAL 9 2HG2 VAL 9 9.243 -0.258 3.480 43 H GLY 10 H GLY 10 7.735 -4.540 1.648 44 HA2 GLY 10 2HA GLY 10 9.841 -6.190 0.753 45 HA3 GLY 10 1HA GLY 10 8.276 -6.744 1.333 46 H GLY 11 H GLY 11 6.930 -5.097 -0.812 47 HA2 GLY 11 2HA GLY 11 7.342 -5.311 -3.305 48 HA3 GLY 11 1HA GLY 11 7.381 -7.030 -2.964 49 H THR 12 H THR 12 5.080 -6.456 -0.850 50 HA THR 12 HA THR 12 2.897 -5.981 -2.642 51 HB THR 12 HB THR 12 3.115 -8.591 -1.127 52 HG1 THR 12 1HG THR 12 4.547 -8.952 -2.706 53 HG21 THR 12 3HG2 THR 12 1.265 -9.323 -2.582 54 HG22 THR 12 1HG2 THR 12 1.275 -7.748 -3.376 55 HG23 THR 12 2HG2 THR 12 0.834 -7.874 -1.674 56 H CYS 13 H CYS 13 1.011 -5.853 -1.407 57 HA CYS 13 HA CYS 13 1.377 -5.018 1.380 58 HB2 CYS 13 2HB CYS 13 -1.062 -4.776 -0.414 59 HB3 CYS 13 1HB CYS 13 -0.855 -4.027 1.165 60 H ASN 14 H ASN 14 -0.172 -5.857 2.989 61 HA ASN 14 HA ASN 14 -0.663 -8.684 2.466 62 HB2 ASN 14 2HB ASN 14 -0.567 -7.098 5.021 63 HB3 ASN 14 1HB ASN 14 -1.255 -8.718 4.980 64 HD21 ASN 14 1HD2 ASN 14 1.663 -6.835 4.731 65 HD22 ASN 14 2HD2 ASN 14 2.741 -8.174 4.821 66 H THR 15 H THR 15 -2.352 -5.790 2.661 67 HA THR 15 HA THR 15 -4.892 -7.222 2.832 68 HB THR 15 HB THR 15 -4.352 -4.242 2.708 69 HG1 THR 15 1HG THR 15 -3.656 -4.627 4.628 70 HG21 THR 15 3HG2 THR 15 -6.663 -4.041 3.544 71 HG22 THR 15 1HG2 THR 15 -6.835 -5.795 3.471 72 HG23 THR 15 2HG2 THR 15 -6.613 -4.866 1.988 73 HA PRO 16 HA PRO 16 -4.807 -7.105 -1.664 74 HB2 PRO 16 2HB PRO 16 -7.312 -8.050 -2.132 75 HB3 PRO 16 1HB PRO 16 -5.953 -9.092 -1.697 76 HG2 PRO 16 2HG PRO 16 -8.142 -8.006 0.040 77 HG3 PRO 16 1HG PRO 16 -7.421 -9.624 0.033 78 HD2 PRO 16 2HD PRO 16 -6.762 -7.744 1.867 79 HD3 PRO 16 1HD PRO 16 -5.600 -8.954 1.287 80 H GLY 17 H GLY 17 -6.737 -5.562 0.225 81 HA2 GLY 17 2HA GLY 17 -8.175 -3.943 -1.751 82 HA3 GLY 17 1HA GLY 17 -8.279 -3.708 -0.006 83 H CYS 18 H CYS 18 -5.162 -3.929 -0.271 84 HA CYS 18 HA CYS 18 -4.877 -1.081 -0.665 85 HB2 CYS 18 2HB CYS 18 -3.021 -2.936 0.875 86 HB3 CYS 18 1HB CYS 18 -2.968 -1.189 0.756 87 H THR 19 H THR 19 -3.755 -0.396 -2.263 88 HA THR 19 HA THR 19 -2.627 -2.238 -4.203 89 HB THR 19 HB THR 19 -2.477 0.715 -4.398 90 HG1 THR 19 1HG THR 19 -4.622 0.904 -4.826 91 HG21 THR 19 3HG2 THR 19 -3.056 0.249 -6.746 92 HG22 THR 19 1HG2 THR 19 -3.253 -1.459 -6.351 93 HG23 THR 19 2HG2 THR 19 -1.668 -0.701 -6.217 94 H CYS 20 H CYS 20 -0.379 -2.231 -4.652 95 HA CYS 20 HA CYS 20 1.217 -0.893 -2.671 96 HB2 CYS 20 2HB CYS 20 1.752 -3.194 -3.196 97 HB3 CYS 20 1HB CYS 20 2.009 -2.752 -4.889 98 H SER 21 H SER 21 1.389 1.148 -3.048 99 HA SER 21 HA SER 21 2.211 2.155 -5.653 100 HB2 SER 21 2HB SER 21 1.338 3.578 -3.118 101 HB3 SER 21 1HB SER 21 1.469 4.265 -4.738 102 HG SER 21 HG SER 21 -0.196 2.860 -5.387 103 H TRP 22 H TRP 22 4.084 0.728 -4.802 104 HA TRP 22 HA TRP 22 5.429 0.707 -2.635 105 HB2 TRP 22 2HB TRP 22 5.818 -0.585 -4.675 106 HB3 TRP 22 1HB TRP 22 6.806 0.740 -5.307 107 HD1 TRP 22 HD TRP 22 6.861 -2.220 -2.963 108 HE1 TRP 22 1HE TRP 22 9.225 -2.570 -2.020 109 HE3 TRP 22 3HE TRP 22 9.048 2.061 -4.652 110 HZ2 TRP 22 2HZ TRP 22 11.687 -1.212 -1.987 111 HZ3 TRP 22 3HZ TRP 22 11.419 2.460 -4.128 112 HH2 TRP 22 HH TRP 22 12.706 0.851 -2.823 113 HA PRO 23 HA PRO 23 6.924 0.566 -1.566 114 HB2 PRO 23 2HB PRO 23 7.906 1.967 0.756 115 HB3 PRO 23 1HB PRO 23 8.769 0.838 -0.297 116 HG2 PRO 23 2HG PRO 23 9.392 3.481 -0.184 117 HG3 PRO 23 1HG PRO 23 9.570 2.506 -1.644 118 HD2 PRO 23 2HD PRO 23 7.265 4.304 -0.909 119 HD3 PRO 23 1HD PRO 23 8.193 4.250 -2.431 120 H VAL 24 H VAL 24 4.678 2.945 -1.314 121 HA VAL 24 HA VAL 24 3.774 2.022 1.287 122 HB VAL 24 HB VAL 24 2.416 4.069 1.456 123 HG11 VAL 24 1HG1 VAL 24 4.270 5.671 1.783 124 HG12 VAL 24 2HG1 VAL 24 5.352 4.536 0.971 125 HG13 VAL 24 3HG1 VAL 24 4.586 4.094 2.496 126 HG21 VAL 24 3HG2 VAL 24 2.815 5.954 -0.087 127 HG22 VAL 24 1HG2 VAL 24 2.070 4.572 -0.892 128 HG23 VAL 24 2HG2 VAL 24 3.792 4.890 -1.096 129 H CYS 25 H CYS 25 1.567 1.244 1.587 130 HA CYS 25 HA CYS 25 0.307 0.530 -0.844 131 HB2 CYS 25 2HB CYS 25 -0.325 0.022 2.041 132 HB3 CYS 25 1HB CYS 25 -1.131 -0.651 0.646 133 H THR 26 H THR 26 -1.769 1.147 -1.373 134 HA THR 26 HA THR 26 -3.100 3.290 0.164 135 HB THR 26 HB THR 26 -3.806 4.143 -2.089 136 HG1 THR 26 1HG THR 26 -1.477 3.031 -3.211 137 HG21 THR 26 3HG2 THR 26 -1.694 5.453 -2.403 138 HG22 THR 26 1HG2 THR 26 -0.879 4.293 -1.347 139 HG23 THR 26 2HG2 THR 26 -2.152 5.303 -0.696 140 H ARG 27 H ARG 27 -5.490 3.470 -1.464 141 HA ARG 27 HA ARG 27 -6.346 0.773 -1.382 142 HB2 ARG 27 2HB ARG 27 -7.728 3.308 -0.569 143 HB3 ARG 27 1HB ARG 27 -8.555 1.799 -0.864 144 HG2 ARG 27 2HG ARG 27 -7.189 0.776 0.957 145 HG3 ARG 27 1HG ARG 27 -6.501 2.370 1.265 146 HD2 ARG 27 2HD ARG 27 -8.800 3.219 1.685 147 HD3 ARG 27 1HD ARG 27 -9.399 1.570 1.514 148 HE ARG 27 HE ARG 27 -7.328 1.655 3.426 149 HH11 ARG 27 1HH1 ARG 27 -10.761 2.515 3.095 150 HH12 ARG 27 2HH1 ARG 27 -11.019 2.504 4.781 151 HH21 ARG 27 1HH2 ARG 27 -7.722 1.716 5.705 152 HH22 ARG 27 2HH2 ARG 27 -9.268 2.033 6.312 153 H ASN 28 H ASN 28 -7.419 0.205 -3.075 154 HA ASN 28 HA ASN 28 -8.117 2.195 -5.156 155 HB2 ASN 28 2HB ASN 28 -7.473 0.744 -6.948 156 HB3 ASN 28 1HB ASN 28 -6.163 0.642 -5.788 157 HD21 ASN 28 1HD2 ASN 28 -5.975 -1.241 -4.527 158 HD22 ASN 28 2HD2 ASN 28 -6.639 -2.741 -5.060 159 H GLY 29 H GLY 29 -10.133 2.140 -5.898 160 HA2 GLY 29 2HA GLY 29 -12.351 1.566 -6.132 161 HA3 GLY 29 1HA GLY 29 -11.824 -0.109 -6.060 162 H LEU 30 H LEU 30 -11.123 2.011 -3.456 163 HA LEU 30 HA LEU 30 -13.211 0.754 -1.887 164 HB2 LEU 30 2HB LEU 30 -10.310 0.972 -1.219 165 HB3 LEU 30 1HB LEU 30 -11.508 0.764 0.038 166 HG LEU 30 HG LEU 30 -11.055 -1.037 -2.256 167 HD11 LEU 30 1HD1 LEU 30 -10.265 -1.290 0.667 168 HD12 LEU 30 2HD1 LEU 30 -9.153 -1.079 -0.688 169 HD13 LEU 30 3HD1 LEU 30 -10.072 -2.576 -0.522 170 HD21 LEU 30 3HD2 LEU 30 -12.777 -1.369 0.177 171 HD22 LEU 30 1HD2 LEU 30 -12.409 -2.670 -0.956 172 HD23 LEU 30 2HD2 LEU 30 -13.296 -1.255 -1.508 173 HA PRO 31 HA PRO 31 -13.793 4.787 -0.141 174 HB2 PRO 31 2HB PRO 31 -14.517 3.776 2.427 175 HB3 PRO 31 1HB PRO 31 -15.615 4.289 1.151 176 HG2 PRO 31 2HG PRO 31 -15.231 1.662 2.084 177 HG3 PRO 31 1HG PRO 31 -16.127 2.152 0.644 178 HD2 PRO 31 2HD PRO 31 -13.425 0.928 0.815 179 HD3 PRO 31 1HD PRO 31 -14.504 1.002 -0.540 180 H VAL 32 H VAL 32 -12.499 6.156 0.902 181 HA VAL 32 HA VAL 32 -10.267 4.936 2.277 182 HB VAL 32 HB VAL 32 -10.597 7.798 1.555 183 HG11 VAL 32 1HG1 VAL 32 -8.120 7.891 1.772 184 HG12 VAL 32 2HG1 VAL 32 -8.148 6.215 2.317 185 HG13 VAL 32 3HG1 VAL 32 -8.944 7.465 3.274 186 HG21 VAL 32 3HG2 VAL 32 -9.110 7.380 -0.386 187 HG22 VAL 32 1HG2 VAL 32 -10.649 6.526 -0.492 188 HG23 VAL 32 2HG2 VAL 32 -9.187 5.653 -0.028 189 H THR 33 H THR 33 -10.739 4.658 4.233 190 HA THR 33 HA THR 33 -12.115 6.709 5.772 191 HB THR 33 HB THR 33 -12.350 4.849 7.508 192 HG1 THR 33 1HG THR 33 -11.027 3.291 7.000 193 HG21 THR 33 3HG2 THR 33 -14.189 5.504 6.017 194 HG22 THR 33 1HG2 THR 33 -14.218 3.770 6.351 195 HG23 THR 33 2HG2 THR 33 -13.605 4.362 4.808 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -8.936 8.449 4.968 2 HA2 GLY 1 2HA GLY 1 -7.073 8.862 6.252 3 HA3 GLY 1 1HA GLY 1 -6.976 7.131 6.570 4 H GLY 2 H GLY 2 -5.175 6.263 5.885 5 HA2 GLY 2 2HA GLY 2 -3.852 7.431 3.549 6 HA3 GLY 2 1HA GLY 2 -3.099 6.388 4.754 7 H GLY 3 H GLY 3 -6.110 5.200 4.098 8 HA2 GLY 3 2HA GLY 3 -6.923 3.541 2.706 9 HA3 GLY 3 1HA GLY 3 -5.424 3.619 1.776 10 H CYS 4 H CYS 4 -3.519 3.107 3.236 11 HA CYS 4 HA CYS 4 -3.935 1.082 5.187 12 HB2 CYS 4 2HB CYS 4 -2.789 0.549 2.484 13 HB3 CYS 4 1HB CYS 4 -2.029 -0.231 3.862 14 H GLY 5 H GLY 5 -2.407 1.268 6.695 15 HA2 GLY 5 2HA GLY 5 -0.376 3.310 6.318 16 HA3 GLY 5 1HA GLY 5 -0.781 2.496 7.830 17 H GLU 6 H GLU 6 -0.698 0.129 5.746 18 HA GLU 6 HA GLU 6 1.899 -0.712 6.605 19 HB2 GLU 6 2HB GLU 6 1.377 -2.853 5.458 20 HB3 GLU 6 1HB GLU 6 0.155 -2.389 6.627 21 HG2 GLU 6 2HG GLU 6 -1.342 -1.726 4.906 22 HG3 GLU 6 1HG GLU 6 -0.106 -1.944 3.657 23 H THR 7 H THR 7 3.615 -1.277 5.215 24 HA THR 7 HA THR 7 3.594 0.359 2.844 25 HB THR 7 HB THR 7 6.040 0.216 3.101 26 HG1 THR 7 1HG THR 7 5.360 -0.782 5.700 27 HG21 THR 7 3HG2 THR 7 4.500 1.472 5.370 28 HG22 THR 7 1HG2 THR 7 4.863 2.203 3.808 29 HG23 THR 7 2HG2 THR 7 6.166 1.878 4.953 30 H CYS 8 H CYS 8 4.736 -0.495 0.976 31 HA CYS 8 HA CYS 8 4.712 -3.415 0.919 32 HB2 CYS 8 2HB CYS 8 3.963 -3.286 -1.357 33 HB3 CYS 8 1HB CYS 8 2.897 -2.367 -0.293 34 H VAL 9 H VAL 9 6.832 -2.013 1.712 35 HA VAL 9 HA VAL 9 8.693 -1.154 -0.211 36 HB VAL 9 HB VAL 9 9.448 -2.501 2.392 37 HG11 VAL 9 1HG1 VAL 9 11.333 -2.203 0.911 38 HG12 VAL 9 2HG1 VAL 9 11.459 -1.122 2.298 39 HG13 VAL 9 3HG1 VAL 9 10.947 -0.491 0.733 40 HG21 VAL 9 3HG2 VAL 9 7.851 -0.739 2.857 41 HG22 VAL 9 1HG2 VAL 9 8.788 0.400 1.888 42 HG23 VAL 9 2HG2 VAL 9 9.460 -0.246 3.384 43 H GLY 10 H GLY 10 8.031 -4.402 0.981 44 HA2 GLY 10 2HA GLY 10 10.118 -5.547 -0.705 45 HA3 GLY 10 1HA GLY 10 9.092 -6.422 0.423 46 H GLY 11 H GLY 11 7.192 -4.381 -1.336 47 HA2 GLY 11 2HA GLY 11 5.958 -4.569 -3.265 48 HA3 GLY 11 1HA GLY 11 6.885 -5.999 -3.689 49 H THR 12 H THR 12 4.936 -5.384 -0.740 50 HA THR 12 HA THR 12 2.890 -7.077 -1.683 51 HB THR 12 HB THR 12 4.241 -8.844 -1.011 52 HG1 THR 12 1HG THR 12 2.954 -8.823 1.396 53 HG21 THR 12 3HG2 THR 12 5.314 -9.036 1.217 54 HG22 THR 12 1HG2 THR 12 4.791 -7.393 1.581 55 HG23 THR 12 2HG2 THR 12 5.949 -7.679 0.281 56 H CYS 13 H CYS 13 1.216 -7.116 -0.439 57 HA CYS 13 HA CYS 13 0.973 -5.299 1.854 58 HB2 CYS 13 2HB CYS 13 -0.899 -5.217 -0.544 59 HB3 CYS 13 1HB CYS 13 -1.108 -4.301 0.941 60 H ASN 14 H ASN 14 -0.636 -5.909 3.279 61 HA ASN 14 HA ASN 14 -1.479 -8.701 3.119 62 HB2 ASN 14 2HB ASN 14 -1.825 -6.652 5.322 63 HB3 ASN 14 1HB ASN 14 -2.204 -8.364 5.454 64 HD21 ASN 14 1HD2 ASN 14 0.333 -5.996 5.230 65 HD22 ASN 14 2HD2 ASN 14 1.606 -7.031 5.759 66 H THR 15 H THR 15 -2.892 -5.514 3.294 67 HA THR 15 HA THR 15 -5.586 -6.488 3.238 68 HB THR 15 HB THR 15 -4.578 -3.701 2.592 69 HG1 THR 15 1HG THR 15 -3.734 -4.106 4.569 70 HG21 THR 15 3HG2 THR 15 -6.772 -3.011 3.468 71 HG22 THR 15 1HG2 THR 15 -7.183 -4.701 3.763 72 HG23 THR 15 2HG2 THR 15 -6.960 -4.123 2.112 73 HA PRO 16 HA PRO 16 -5.264 -7.183 -1.209 74 HB2 PRO 16 2HB PRO 16 -7.747 -8.157 -1.682 75 HB3 PRO 16 1HB PRO 16 -6.499 -9.107 -0.866 76 HG2 PRO 16 2HG PRO 16 -8.778 -7.570 0.320 77 HG3 PRO 16 1HG PRO 16 -8.168 -9.174 0.755 78 HD2 PRO 16 2HD PRO 16 -7.559 -6.914 2.166 79 HD3 PRO 16 1HD PRO 16 -6.476 -8.318 2.050 80 H GLY 17 H GLY 17 -7.088 -5.144 0.236 81 HA2 GLY 17 2HA GLY 17 -8.256 -3.832 -2.141 82 HA3 GLY 17 1HA GLY 17 -8.555 -3.326 -0.480 83 H CYS 18 H CYS 18 -5.430 -3.869 -0.451 84 HA CYS 18 HA CYS 18 -4.832 -1.178 -1.257 85 HB2 CYS 18 2HB CYS 18 -3.630 -2.811 0.965 86 HB3 CYS 18 1HB CYS 18 -2.993 -1.272 0.384 87 H THR 19 H THR 19 -3.496 -0.821 -2.594 88 HA THR 19 HA THR 19 -2.256 -2.904 -4.188 89 HB THR 19 HB THR 19 -2.612 0.014 -4.701 90 HG1 THR 19 1HG THR 19 -4.514 -2.099 -4.808 91 HG21 THR 19 3HG2 THR 19 -2.640 -2.422 -6.510 92 HG22 THR 19 1HG2 THR 19 -1.304 -1.286 -6.332 93 HG23 THR 19 2HG2 THR 19 -2.824 -0.754 -7.052 94 H CYS 20 H CYS 20 -0.016 -2.517 -4.742 95 HA CYS 20 HA CYS 20 1.427 -1.031 -2.760 96 HB2 CYS 20 2HB CYS 20 2.229 -3.229 -3.423 97 HB3 CYS 20 1HB CYS 20 2.394 -2.663 -5.085 98 H SER 21 H SER 21 1.782 1.000 -3.009 99 HA SER 21 HA SER 21 2.570 1.989 -5.631 100 HB2 SER 21 2HB SER 21 0.311 2.900 -4.817 101 HB3 SER 21 1HB SER 21 1.163 3.566 -3.433 102 HG SER 21 HG SER 21 2.532 4.580 -5.240 103 H TRP 22 H TRP 22 4.549 1.145 -4.892 104 HA TRP 22 HA TRP 22 5.673 1.150 -2.580 105 HB2 TRP 22 2HB TRP 22 6.462 0.140 -4.651 106 HB3 TRP 22 1HB TRP 22 7.208 1.683 -5.114 107 HD1 TRP 22 HD TRP 22 7.630 -1.361 -2.911 108 HE1 TRP 22 1HE TRP 22 9.946 -1.344 -1.810 109 HE3 TRP 22 3HE TRP 22 9.120 3.331 -4.234 110 HZ2 TRP 22 2HZ TRP 22 12.094 0.423 -1.494 111 HZ3 TRP 22 3HZ TRP 22 11.326 4.115 -3.488 112 HH2 TRP 22 HH TRP 22 12.786 2.691 -2.150 113 HA PRO 23 HA PRO 23 7.096 1.223 -1.417 114 HB2 PRO 23 2HB PRO 23 7.755 2.494 1.061 115 HB3 PRO 23 1HB PRO 23 8.847 1.752 -0.110 116 HG2 PRO 23 2HG PRO 23 8.803 4.443 0.408 117 HG3 PRO 23 1HG PRO 23 9.309 3.724 -1.130 118 HD2 PRO 23 2HD PRO 23 6.611 4.864 -0.423 119 HD3 PRO 23 1HD PRO 23 7.608 5.165 -1.870 120 H VAL 24 H VAL 24 4.398 3.035 -1.120 121 HA VAL 24 HA VAL 24 3.671 1.794 1.389 122 HB VAL 24 HB VAL 24 1.947 3.572 1.681 123 HG11 VAL 24 1HG1 VAL 24 4.014 3.733 2.903 124 HG12 VAL 24 2HG1 VAL 24 3.546 5.344 2.361 125 HG13 VAL 24 3HG1 VAL 24 4.819 4.462 1.516 126 HG21 VAL 24 3HG2 VAL 24 3.384 4.895 -0.619 127 HG22 VAL 24 1HG2 VAL 24 2.179 5.670 0.410 128 HG23 VAL 24 2HG2 VAL 24 1.719 4.314 -0.621 129 H CYS 25 H CYS 25 1.559 0.735 1.639 130 HA CYS 25 HA CYS 25 0.338 0.059 -0.803 131 HB2 CYS 25 2HB CYS 25 -0.466 -0.492 2.031 132 HB3 CYS 25 1HB CYS 25 -1.060 -1.213 0.573 133 H THR 26 H THR 26 -1.449 0.902 -1.507 134 HA THR 26 HA THR 26 -3.020 2.790 0.091 135 HB THR 26 HB THR 26 -3.236 4.028 -2.149 136 HG1 THR 26 1HG THR 26 -0.633 2.948 -2.443 137 HG21 THR 26 3HG2 THR 26 -1.250 5.456 -1.570 138 HG22 THR 26 1HG2 THR 26 -0.712 4.171 -0.488 139 HG23 THR 26 2HG2 THR 26 -2.214 5.016 -0.153 140 H ARG 27 H ARG 27 -5.099 3.327 -1.671 141 HA ARG 27 HA ARG 27 -5.879 0.663 -2.353 142 HB2 ARG 27 2HB ARG 27 -7.542 3.011 -1.507 143 HB3 ARG 27 1HB ARG 27 -8.109 1.405 -1.911 144 HG2 ARG 27 2HG ARG 27 -6.902 0.478 0.008 145 HG3 ARG 27 1HG ARG 27 -6.328 2.093 0.417 146 HD2 ARG 27 2HD ARG 27 -8.173 1.662 1.837 147 HD3 ARG 27 1HD ARG 27 -8.747 2.778 0.604 148 HE ARG 27 HE ARG 27 -9.201 -0.110 0.370 149 HH11 ARG 27 1HH1 ARG 27 -10.575 3.203 0.414 150 HH12 ARG 27 2HH1 ARG 27 -12.160 2.657 0.300 151 HH21 ARG 27 1HH2 ARG 27 -11.405 -0.793 0.159 152 HH22 ARG 27 2HH2 ARG 27 -12.663 0.359 0.101 153 H ASN 28 H ASN 28 -5.657 0.543 -4.502 154 HA ASN 28 HA ASN 28 -5.902 2.779 -6.255 155 HB2 ASN 28 2HB ASN 28 -5.561 1.331 -8.135 156 HB3 ASN 28 1HB ASN 28 -4.569 0.706 -6.839 157 HD21 ASN 28 1HD2 ASN 28 -6.843 -0.714 -5.521 158 HD22 ASN 28 2HD2 ASN 28 -7.194 -2.055 -6.538 159 H GLY 29 H GLY 29 -7.565 3.733 -7.149 160 HA2 GLY 29 2HA GLY 29 -9.659 4.184 -7.928 161 HA3 GLY 29 1HA GLY 29 -9.810 2.464 -8.238 162 H LEU 30 H LEU 30 -9.273 3.696 -5.045 163 HA LEU 30 HA LEU 30 -12.017 2.979 -4.408 164 HB2 LEU 30 2HB LEU 30 -9.496 2.103 -3.112 165 HB3 LEU 30 1HB LEU 30 -10.985 2.139 -2.182 166 HG LEU 30 HG LEU 30 -10.794 0.691 -4.784 167 HD11 LEU 30 1HD1 LEU 30 -9.042 -0.228 -3.281 168 HD12 LEU 30 2HD1 LEU 30 -10.365 -1.378 -3.469 169 HD13 LEU 30 3HD1 LEU 30 -10.243 -0.406 -2.001 170 HD21 LEU 30 3HD2 LEU 30 -12.651 -0.608 -3.837 171 HD22 LEU 30 1HD2 LEU 30 -13.019 1.113 -3.939 172 HD23 LEU 30 2HD2 LEU 30 -12.590 0.392 -2.389 173 HA PRO 31 HA PRO 31 -12.605 6.825 -2.319 174 HB2 PRO 31 2HB PRO 31 -13.775 5.091 -0.204 175 HB3 PRO 31 1HB PRO 31 -14.462 6.519 -0.988 176 HG2 PRO 31 2HG PRO 31 -15.317 4.103 -1.656 177 HG3 PRO 31 1HG PRO 31 -15.063 5.341 -2.899 178 HD2 PRO 31 2HD PRO 31 -13.370 2.956 -2.241 179 HD3 PRO 31 1HD PRO 31 -13.704 3.704 -3.800 180 H VAL 32 H VAL 32 -11.565 8.054 -1.019 181 HA VAL 32 HA VAL 32 -9.335 6.983 0.268 182 HB VAL 32 HB VAL 32 -9.117 9.098 -0.779 183 HG11 VAL 32 1HG1 VAL 32 -11.092 10.188 1.220 184 HG12 VAL 32 2HG1 VAL 32 -11.352 10.003 -0.513 185 HG13 VAL 32 3HG1 VAL 32 -10.162 11.161 0.082 186 HG21 VAL 32 3HG2 VAL 32 -8.802 9.368 2.203 187 HG22 VAL 32 1HG2 VAL 32 -8.040 10.417 1.006 188 HG23 VAL 32 2HG2 VAL 32 -7.629 8.704 1.067 189 H THR 33 H THR 33 -9.163 6.221 2.042 190 HA THR 33 HA THR 33 -10.644 7.257 4.320 191 HB THR 33 HB THR 33 -11.852 5.234 3.856 192 HG1 THR 33 1HG THR 33 -11.339 3.934 5.740 193 HG21 THR 33 3HG2 THR 33 -9.207 3.757 3.828 194 HG22 THR 33 1HG2 THR 33 -10.234 4.074 2.430 195 HG23 THR 33 2HG2 THR 33 -10.796 3.000 3.710 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -10.387 8.875 4.682 2 HA2 GLY 1 2HA GLY 1 -9.214 10.645 5.698 3 HA3 GLY 1 1HA GLY 1 -9.751 10.054 7.269 4 H GLY 2 H GLY 2 -8.192 8.349 4.659 5 HA2 GLY 2 2HA GLY 2 -5.646 8.171 5.147 6 HA3 GLY 2 1HA GLY 2 -6.272 7.276 6.535 7 H GLY 3 H GLY 3 -4.979 6.739 3.683 8 HA2 GLY 3 2HA GLY 3 -6.879 4.921 2.552 9 HA3 GLY 3 1HA GLY 3 -5.207 5.124 2.051 10 H CYS 4 H CYS 4 -3.619 3.879 2.990 11 HA CYS 4 HA CYS 4 -4.570 1.773 4.775 12 HB2 CYS 4 2HB CYS 4 -2.851 1.390 2.308 13 HB3 CYS 4 1HB CYS 4 -3.183 0.149 3.501 14 H GLY 5 H GLY 5 -3.205 1.373 6.423 15 HA2 GLY 5 2HA GLY 5 -0.766 2.958 6.592 16 HA3 GLY 5 1HA GLY 5 -1.483 1.999 7.888 17 H GLU 6 H GLU 6 -1.236 0.555 4.889 18 HA GLU 6 HA GLU 6 0.668 -1.401 5.849 19 HB2 GLU 6 2HB GLU 6 -1.052 -1.270 3.383 20 HB3 GLU 6 1HB GLU 6 0.004 -2.614 3.785 21 HG2 GLU 6 2HG GLU 6 -2.215 -1.666 5.556 22 HG3 GLU 6 1HG GLU 6 -2.409 -2.863 4.269 23 H THR 7 H THR 7 2.571 -1.884 4.680 24 HA THR 7 HA THR 7 3.257 -0.007 2.600 25 HB THR 7 HB THR 7 5.595 -0.477 3.391 26 HG1 THR 7 1HG THR 7 4.340 -0.811 5.908 27 HG21 THR 7 3HG2 THR 7 3.769 1.283 5.023 28 HG22 THR 7 1HG2 THR 7 4.611 1.715 3.536 29 HG23 THR 7 2HG2 THR 7 5.528 1.419 5.011 30 H CYS 8 H CYS 8 4.683 -0.885 0.957 31 HA CYS 8 HA CYS 8 4.628 -3.802 0.846 32 HB2 CYS 8 2HB CYS 8 4.020 -3.617 -1.493 33 HB3 CYS 8 1HB CYS 8 2.807 -2.933 -0.400 34 H VAL 9 H VAL 9 6.683 -2.305 1.663 35 HA VAL 9 HA VAL 9 8.539 -1.462 -0.321 36 HB VAL 9 HB VAL 9 9.332 -2.600 2.363 37 HG11 VAL 9 1HG1 VAL 9 11.159 -2.182 0.830 38 HG12 VAL 9 2HG1 VAL 9 11.222 -1.108 2.219 39 HG13 VAL 9 3HG1 VAL 9 10.649 -0.499 0.662 40 HG21 VAL 9 3HG2 VAL 9 9.137 -0.299 3.276 41 HG22 VAL 9 1HG2 VAL 9 7.582 -0.979 2.791 42 HG23 VAL 9 2HG2 VAL 9 8.389 0.200 1.762 43 H GLY 10 H GLY 10 7.815 -4.539 1.149 44 HA2 GLY 10 2HA GLY 10 10.017 -5.912 -0.130 45 HA3 GLY 10 1HA GLY 10 8.776 -6.633 0.888 46 H GLY 11 H GLY 11 7.116 -4.779 -1.194 47 HA2 GLY 11 2HA GLY 11 6.661 -5.088 -3.516 48 HA3 GLY 11 1HA GLY 11 7.121 -6.769 -3.333 49 H THR 12 H THR 12 5.208 -6.355 -0.636 50 HA THR 12 HA THR 12 2.791 -6.834 -2.163 51 HB THR 12 HB THR 12 3.451 -8.584 0.161 52 HG1 THR 12 1HG THR 12 5.065 -9.388 -0.898 53 HG21 THR 12 3HG2 THR 12 1.921 -9.004 -2.414 54 HG22 THR 12 1HG2 THR 12 1.218 -8.652 -0.836 55 HG23 THR 12 2HG2 THR 12 2.057 -10.181 -1.110 56 H CYS 13 H CYS 13 1.019 -6.463 -0.981 57 HA CYS 13 HA CYS 13 1.270 -5.029 1.579 58 HB2 CYS 13 2HB CYS 13 -1.041 -5.099 -0.389 59 HB3 CYS 13 1HB CYS 13 -0.997 -4.164 1.098 60 H ASN 14 H ASN 14 0.336 -5.942 3.397 61 HA ASN 14 HA ASN 14 -0.586 -8.625 3.346 62 HB2 ASN 14 2HB ASN 14 -0.757 -6.498 5.481 63 HB3 ASN 14 1HB ASN 14 -1.443 -8.100 5.709 64 HD21 ASN 14 1HD2 ASN 14 1.458 -6.252 5.407 65 HD22 ASN 14 2HD2 ASN 14 2.538 -7.475 5.958 66 H THR 15 H THR 15 -2.256 -5.574 3.668 67 HA THR 15 HA THR 15 -4.829 -6.809 3.398 68 HB THR 15 HB THR 15 -4.018 -3.889 3.304 69 HG1 THR 15 1HG THR 15 -3.463 -4.780 5.314 70 HG21 THR 15 3HG2 THR 15 -6.716 -5.188 3.802 71 HG22 THR 15 1HG2 THR 15 -6.257 -4.285 2.362 72 HG23 THR 15 2HG2 THR 15 -6.381 -3.461 3.916 73 HA PRO 16 HA PRO 16 -4.136 -6.848 -1.051 74 HB2 PRO 16 2HB PRO 16 -6.200 -8.428 -1.758 75 HB3 PRO 16 1HB PRO 16 -4.751 -9.046 -0.955 76 HG2 PRO 16 2HG PRO 16 -7.428 -8.417 0.217 77 HG3 PRO 16 1HG PRO 16 -6.364 -9.792 0.545 78 HD2 PRO 16 2HD PRO 16 -6.560 -7.563 2.148 79 HD3 PRO 16 1HD PRO 16 -5.131 -8.613 2.077 80 H GLY 17 H GLY 17 -6.348 -5.425 0.503 81 HA2 GLY 17 2HA GLY 17 -7.990 -4.374 -1.720 82 HA3 GLY 17 1HA GLY 17 -8.168 -3.888 -0.034 83 H CYS 18 H CYS 18 -5.064 -3.750 -0.305 84 HA CYS 18 HA CYS 18 -4.999 -0.926 -1.094 85 HB2 CYS 18 2HB CYS 18 -3.083 -2.485 0.659 86 HB3 CYS 18 1HB CYS 18 -3.156 -0.745 0.388 87 H THR 19 H THR 19 -3.743 -0.318 -2.647 88 HA THR 19 HA THR 19 -2.511 -2.307 -4.371 89 HB THR 19 HB THR 19 -2.636 0.654 -4.724 90 HG1 THR 19 1HG THR 19 -4.651 -1.082 -5.730 91 HG21 THR 19 3HG2 THR 19 -1.337 -0.565 -6.367 92 HG22 THR 19 1HG2 THR 19 -2.805 0.048 -7.125 93 HG23 THR 19 2HG2 THR 19 -2.686 -1.655 -6.676 94 H CYS 20 H CYS 20 -0.259 -2.078 -4.954 95 HA CYS 20 HA CYS 20 1.270 -0.835 -2.866 96 HB2 CYS 20 2HB CYS 20 1.829 -3.078 -3.551 97 HB3 CYS 20 1HB CYS 20 2.131 -2.494 -5.191 98 H SER 21 H SER 21 1.479 1.207 -3.066 99 HA SER 21 HA SER 21 2.433 2.365 -5.565 100 HB2 SER 21 2HB SER 21 0.340 3.390 -4.605 101 HB3 SER 21 1HB SER 21 1.196 3.665 -3.092 102 HG SER 21 HG SER 21 2.713 4.806 -4.766 103 H TRP 22 H TRP 22 4.310 1.044 -4.829 104 HA TRP 22 HA TRP 22 5.576 0.890 -2.611 105 HB2 TRP 22 2HB TRP 22 6.153 -0.189 -4.721 106 HB3 TRP 22 1HB TRP 22 7.000 1.276 -5.243 107 HD1 TRP 22 HD TRP 22 7.359 -1.832 -3.134 108 HE1 TRP 22 1HE TRP 22 9.720 -1.997 -2.164 109 HE3 TRP 22 3HE TRP 22 9.061 2.809 -4.386 110 HZ2 TRP 22 2HZ TRP 22 12.004 -0.369 -1.928 111 HZ3 TRP 22 3HZ TRP 22 11.355 3.434 -3.756 112 HH2 TRP 22 HH TRP 22 12.796 1.871 -2.548 113 HA PRO 23 HA PRO 23 7.067 0.784 -1.507 114 HB2 PRO 23 2HB PRO 23 7.859 2.016 0.966 115 HB3 PRO 23 1HB PRO 23 8.862 1.121 -0.186 116 HG2 PRO 23 2HG PRO 23 9.137 3.802 0.277 117 HG3 PRO 23 1HG PRO 23 9.519 3.016 -1.263 118 HD2 PRO 23 2HD PRO 23 6.981 4.455 -0.506 119 HD3 PRO 23 1HD PRO 23 7.978 4.632 -1.974 120 H VAL 24 H VAL 24 4.597 2.918 -1.077 121 HA VAL 24 HA VAL 24 3.739 1.645 1.387 122 HB VAL 24 HB VAL 24 2.189 3.542 1.725 123 HG11 VAL 24 1HG1 VAL 24 3.894 5.210 2.351 124 HG12 VAL 24 2HG1 VAL 24 5.097 4.281 1.451 125 HG13 VAL 24 3HG1 VAL 24 4.313 3.580 2.867 126 HG21 VAL 24 3HG2 VAL 24 1.940 4.258 -0.589 127 HG22 VAL 24 1HG2 VAL 24 3.625 4.779 -0.623 128 HG23 VAL 24 2HG2 VAL 24 2.466 5.599 0.427 129 H CYS 25 H CYS 25 1.443 0.970 1.584 130 HA CYS 25 HA CYS 25 0.341 0.359 -0.962 131 HB2 CYS 25 2HB CYS 25 -0.498 -0.225 1.816 132 HB3 CYS 25 1HB CYS 25 -1.170 -0.896 0.362 133 H THR 26 H THR 26 -1.418 1.287 -1.691 134 HA THR 26 HA THR 26 -2.686 3.403 -0.109 135 HB THR 26 HB THR 26 -3.320 4.254 -2.379 136 HG1 THR 26 1HG THR 26 -2.279 3.552 -4.098 137 HG21 THR 26 3HG2 THR 26 -1.739 5.429 -0.945 138 HG22 THR 26 1HG2 THR 26 -1.169 5.512 -2.612 139 HG23 THR 26 2HG2 THR 26 -0.436 4.375 -1.478 140 H ARG 27 H ARG 27 -5.002 3.887 -1.632 141 HA ARG 27 HA ARG 27 -6.225 1.354 -1.403 142 HB2 ARG 27 2HB ARG 27 -8.244 2.840 -0.946 143 HB3 ARG 27 1HB ARG 27 -7.122 2.522 0.380 144 HG2 ARG 27 2HG ARG 27 -7.816 4.819 0.491 145 HG3 ARG 27 1HG ARG 27 -6.156 4.807 -0.085 146 HD2 ARG 27 2HD ARG 27 -7.449 6.433 -1.324 147 HD3 ARG 27 1HD ARG 27 -6.992 5.097 -2.377 148 HE ARG 27 HE ARG 27 -9.640 5.078 -1.153 149 HH11 ARG 27 1HH1 ARG 27 -7.629 5.300 -4.054 150 HH12 ARG 27 2HH1 ARG 27 -8.917 5.359 -5.146 151 HH21 ARG 27 1HH2 ARG 27 -11.451 5.113 -2.646 152 HH22 ARG 27 2HH2 ARG 27 -11.181 5.249 -4.322 153 H ASN 28 H ASN 28 -7.720 0.950 -2.766 154 HA ASN 28 HA ASN 28 -8.260 2.730 -5.044 155 HB2 ASN 28 2HB ASN 28 -8.019 1.001 -6.710 156 HB3 ASN 28 1HB ASN 28 -6.561 0.931 -5.735 157 HD21 ASN 28 1HD2 ASN 28 -6.305 -0.836 -4.313 158 HD22 ASN 28 2HD2 ASN 28 -7.192 -2.300 -4.521 159 H GLY 29 H GLY 29 -10.365 2.907 -5.441 160 HA2 GLY 29 2HA GLY 29 -12.623 2.437 -5.503 161 HA3 GLY 29 1HA GLY 29 -12.254 0.798 -5.012 162 H LEU 30 H LEU 30 -10.897 1.588 -2.637 163 HA LEU 30 HA LEU 30 -12.914 1.400 -0.784 164 HB2 LEU 30 2HB LEU 30 -10.054 2.193 -0.482 165 HB3 LEU 30 1HB LEU 30 -11.120 1.987 0.896 166 HG LEU 30 HG LEU 30 -10.786 -0.118 -1.144 167 HD11 LEU 30 1HD1 LEU 30 -8.529 0.386 -0.199 168 HD12 LEU 30 2HD1 LEU 30 -9.097 -1.173 0.396 169 HD13 LEU 30 3HD1 LEU 30 -9.193 0.252 1.429 170 HD21 LEU 30 3HD2 LEU 30 -12.670 -0.390 0.292 171 HD22 LEU 30 1HD2 LEU 30 -11.664 -0.162 1.723 172 HD23 LEU 30 2HD2 LEU 30 -11.456 -1.594 0.720 173 HA PRO 31 HA PRO 31 -14.451 5.399 -0.222 174 HB2 PRO 31 2HB PRO 31 -15.444 5.104 2.317 175 HB3 PRO 31 1HB PRO 31 -16.251 4.501 0.870 176 HG2 PRO 31 2HG PRO 31 -14.722 3.035 2.930 177 HG3 PRO 31 1HG PRO 31 -16.033 2.468 1.886 178 HD2 PRO 31 2HD PRO 31 -13.299 1.950 1.529 179 HD3 PRO 31 1HD PRO 31 -14.503 1.701 0.294 180 H VAL 32 H VAL 32 -14.038 7.314 0.707 181 HA VAL 32 HA VAL 32 -11.450 7.586 1.814 182 HB VAL 32 HB VAL 32 -13.620 9.649 1.782 183 HG11 VAL 32 1HG1 VAL 32 -10.620 9.926 1.827 184 HG12 VAL 32 2HG1 VAL 32 -11.716 10.228 3.171 185 HG13 VAL 32 3HG1 VAL 32 -11.757 11.272 1.749 186 HG21 VAL 32 3HG2 VAL 32 -11.613 9.033 -0.383 187 HG22 VAL 32 1HG2 VAL 32 -12.698 10.423 -0.376 188 HG23 VAL 32 2HG2 VAL 32 -13.356 8.789 -0.474 189 H THR 33 H THR 33 -11.036 7.179 3.740 190 HA THR 33 HA THR 33 -13.081 7.463 5.844 191 HB THR 33 HB THR 33 -10.811 5.443 5.816 192 HG1 THR 33 1HG THR 33 -12.352 5.107 4.068 193 HG21 THR 33 3HG2 THR 33 -12.180 4.285 7.500 194 HG22 THR 33 1HG2 THR 33 -13.396 5.558 7.396 195 HG23 THR 33 2HG2 THR 33 -11.794 5.920 8.039 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -12.120 3.963 4.595 2 HA2 GLY 1 2HA GLY 1 -10.646 4.811 6.791 3 HA3 GLY 1 1HA GLY 1 -9.801 3.506 5.948 4 H GLY 2 H GLY 2 -8.659 5.949 5.899 5 HA2 GLY 2 2HA GLY 2 -9.519 7.306 3.463 6 HA3 GLY 2 1HA GLY 2 -8.272 7.859 4.573 7 H GLY 3 H GLY 3 -7.218 4.990 4.427 8 HA2 GLY 3 2HA GLY 3 -6.302 4.587 1.790 9 HA3 GLY 3 1HA GLY 3 -5.098 5.464 2.730 10 H CYS 4 H CYS 4 -3.573 3.926 3.012 11 HA CYS 4 HA CYS 4 -4.339 1.766 4.755 12 HB2 CYS 4 2HB CYS 4 -2.824 1.245 2.143 13 HB3 CYS 4 1HB CYS 4 -3.039 0.113 3.461 14 H GLY 5 H GLY 5 -2.826 1.287 6.212 15 HA2 GLY 5 2HA GLY 5 -0.605 3.189 6.320 16 HA3 GLY 5 1HA GLY 5 -1.259 2.291 7.682 17 H GLU 6 H GLU 6 -1.130 0.139 5.337 18 HA GLU 6 HA GLU 6 1.367 -0.898 6.284 19 HB2 GLU 6 2HB GLU 6 0.786 -2.830 4.645 20 HB3 GLU 6 1HB GLU 6 -0.082 -2.677 6.159 21 HG2 GLU 6 2HG GLU 6 -1.196 -1.485 3.650 22 HG3 GLU 6 1HG GLU 6 -1.347 -3.214 3.963 23 H THR 7 H THR 7 3.171 -1.271 5.137 24 HA THR 7 HA THR 7 3.371 0.249 2.698 25 HB THR 7 HB THR 7 5.800 0.169 3.312 26 HG1 THR 7 1HG THR 7 6.327 -0.473 5.374 27 HG21 THR 7 3HG2 THR 7 4.371 2.140 3.754 28 HG22 THR 7 1HG2 THR 7 5.618 1.953 4.992 29 HG23 THR 7 2HG2 THR 7 3.959 1.464 5.325 30 H CYS 8 H CYS 8 4.696 -0.697 0.994 31 HA CYS 8 HA CYS 8 4.779 -3.619 1.110 32 HB2 CYS 8 2HB CYS 8 4.311 -3.566 -1.298 33 HB3 CYS 8 1HB CYS 8 2.994 -3.012 -0.265 34 H VAL 9 H VAL 9 6.765 -1.975 1.844 35 HA VAL 9 HA VAL 9 8.674 -1.284 -0.136 36 HB VAL 9 HB VAL 9 9.405 -2.161 2.670 37 HG11 VAL 9 1HG1 VAL 9 11.273 -1.798 1.159 38 HG12 VAL 9 2HG1 VAL 9 11.243 -0.590 2.444 39 HG13 VAL 9 3HG1 VAL 9 10.696 -0.166 0.822 40 HG21 VAL 9 3HG2 VAL 9 8.427 0.545 1.786 41 HG22 VAL 9 1HG2 VAL 9 9.120 0.188 3.369 42 HG23 VAL 9 2HG2 VAL 9 7.604 -0.569 2.882 43 H GLY 10 H GLY 10 7.995 -4.226 1.577 44 HA2 GLY 10 2HA GLY 10 10.264 -5.636 0.461 45 HA3 GLY 10 1HA GLY 10 9.063 -6.296 1.559 46 H GLY 11 H GLY 11 7.487 -4.704 -0.973 47 HA2 GLY 11 2HA GLY 11 7.581 -5.901 -3.242 48 HA3 GLY 11 1HA GLY 11 7.063 -7.279 -2.293 49 H THR 12 H THR 12 4.944 -6.704 -0.882 50 HA THR 12 HA THR 12 3.103 -4.969 -2.199 51 HB THR 12 HB THR 12 2.626 -7.976 -2.239 52 HG1 THR 12 1HG THR 12 4.096 -6.478 -3.916 53 HG21 THR 12 3HG2 THR 12 1.184 -5.707 -3.620 54 HG22 THR 12 1HG2 THR 12 0.587 -6.634 -2.243 55 HG23 THR 12 2HG2 THR 12 0.800 -7.416 -3.813 56 H CYS 13 H CYS 13 1.057 -5.181 -0.949 57 HA CYS 13 HA CYS 13 1.611 -5.838 1.838 58 HB2 CYS 13 2HB CYS 13 -0.631 -4.227 0.607 59 HB3 CYS 13 1HB CYS 13 -0.488 -4.595 2.320 60 H ASN 14 H ASN 14 -0.032 -6.911 3.100 61 HA ASN 14 HA ASN 14 -1.039 -9.201 1.660 62 HB2 ASN 14 2HB ASN 14 -1.025 -8.569 4.622 63 HB3 ASN 14 1HB ASN 14 -1.589 -10.082 3.928 64 HD21 ASN 14 1HD2 ASN 14 0.492 -10.215 1.890 65 HD22 ASN 14 2HD2 ASN 14 1.952 -10.608 2.693 66 H THR 15 H THR 15 -2.299 -6.316 3.117 67 HA THR 15 HA THR 15 -5.013 -7.093 3.195 68 HB THR 15 HB THR 15 -3.901 -4.285 2.902 69 HG1 THR 15 1HG THR 15 -3.483 -4.351 5.107 70 HG21 THR 15 3HG2 THR 15 -6.354 -4.513 2.824 71 HG22 THR 15 1HG2 THR 15 -5.844 -3.706 4.306 72 HG23 THR 15 2HG2 THR 15 -6.321 -5.404 4.345 73 HA PRO 16 HA PRO 16 -5.231 -7.121 -1.286 74 HB2 PRO 16 2HB PRO 16 -7.733 -8.103 -1.587 75 HB3 PRO 16 1HB PRO 16 -6.360 -9.102 -1.090 76 HG2 PRO 16 2HG PRO 16 -8.496 -7.855 0.599 77 HG3 PRO 16 1HG PRO 16 -7.795 -9.479 0.703 78 HD2 PRO 16 2HD PRO 16 -7.059 -7.430 2.344 79 HD3 PRO 16 1HD PRO 16 -5.964 -8.749 1.886 80 H GLY 17 H GLY 17 -6.942 -5.305 0.572 81 HA2 GLY 17 2HA GLY 17 -8.372 -3.846 -1.564 82 HA3 GLY 17 1HA GLY 17 -8.563 -3.497 0.147 83 H CYS 18 H CYS 18 -5.383 -3.804 -0.170 84 HA CYS 18 HA CYS 18 -4.998 -0.951 -0.676 85 HB2 CYS 18 2HB CYS 18 -3.249 -2.832 0.951 86 HB3 CYS 18 1HB CYS 18 -3.090 -1.103 0.743 87 H THR 19 H THR 19 -3.881 -0.421 -2.317 88 HA THR 19 HA THR 19 -2.710 -2.445 -4.036 89 HB THR 19 HB THR 19 -2.867 0.463 -4.592 90 HG1 THR 19 1HG THR 19 -5.118 -1.027 -5.296 91 HG21 THR 19 3HG2 THR 19 -3.310 -2.008 -6.271 92 HG22 THR 19 1HG2 THR 19 -1.848 -1.024 -6.244 93 HG23 THR 19 2HG2 THR 19 -3.353 -0.352 -6.877 94 H CYS 20 H CYS 20 -0.500 -2.293 -4.538 95 HA CYS 20 HA CYS 20 1.079 -0.785 -2.676 96 HB2 CYS 20 2HB CYS 20 1.666 -3.095 -3.053 97 HB3 CYS 20 1HB CYS 20 1.818 -2.787 -4.781 98 H SER 21 H SER 21 1.897 1.031 -3.127 99 HA SER 21 HA SER 21 2.609 1.691 -5.852 100 HB2 SER 21 2HB SER 21 0.448 2.845 -4.915 101 HB3 SER 21 1HB SER 21 1.563 3.678 -3.834 102 HG SER 21 HG SER 21 2.310 4.812 -5.418 103 H TRP 22 H TRP 22 4.483 0.643 -4.983 104 HA TRP 22 HA TRP 22 5.704 0.741 -2.743 105 HB2 TRP 22 2HB TRP 22 6.326 -0.546 -4.726 106 HB3 TRP 22 1HB TRP 22 7.187 0.862 -5.368 107 HD1 TRP 22 HD TRP 22 7.450 -1.981 -2.898 108 HE1 TRP 22 1HE TRP 22 9.818 -2.045 -1.860 109 HE3 TRP 22 3HE TRP 22 9.238 2.438 -4.689 110 HZ2 TRP 22 2HZ TRP 22 12.110 -0.430 -1.806 111 HZ3 TRP 22 3HZ TRP 22 11.532 3.109 -4.093 112 HH2 TRP 22 HH TRP 22 12.927 1.698 -2.680 113 HA PRO 23 HA PRO 23 7.198 0.743 -1.630 114 HB2 PRO 23 2HB PRO 23 7.996 2.197 0.707 115 HB3 PRO 23 1HB PRO 23 9.010 1.235 -0.381 116 HG2 PRO 23 2HG PRO 23 9.214 3.953 -0.137 117 HG3 PRO 23 1HG PRO 23 9.611 3.059 -1.611 118 HD2 PRO 23 2HD PRO 23 7.038 4.478 -0.946 119 HD3 PRO 23 1HD PRO 23 8.018 4.575 -2.433 120 H VAL 24 H VAL 24 4.691 2.889 -1.369 121 HA VAL 24 HA VAL 24 3.891 1.760 1.180 122 HB VAL 24 HB VAL 24 2.553 3.779 1.597 123 HG11 VAL 24 1HG1 VAL 24 4.423 5.305 2.102 124 HG12 VAL 24 2HG1 VAL 24 5.474 4.333 1.078 125 HG13 VAL 24 3HG1 VAL 24 4.802 3.643 2.551 126 HG21 VAL 24 3HG2 VAL 24 3.897 4.866 -0.875 127 HG22 VAL 24 1HG2 VAL 24 2.926 5.813 0.256 128 HG23 VAL 24 2HG2 VAL 24 2.178 4.519 -0.682 129 H CYS 25 H CYS 25 1.580 1.128 1.445 130 HA CYS 25 HA CYS 25 0.362 0.757 -1.081 131 HB2 CYS 25 2HB CYS 25 -0.052 -0.334 1.654 132 HB3 CYS 25 1HB CYS 25 -1.196 -0.542 0.359 133 H THR 26 H THR 26 -1.642 1.361 -1.473 134 HA THR 26 HA THR 26 -2.997 3.204 0.326 135 HB THR 26 HB THR 26 -3.614 4.272 -2.005 136 HG1 THR 26 1HG THR 26 -2.246 3.522 -3.473 137 HG21 THR 26 3HG2 THR 26 -1.972 6.061 -1.475 138 HG22 THR 26 1HG2 THR 26 -1.154 4.933 -0.386 139 HG23 THR 26 2HG2 THR 26 -2.790 5.454 -0.027 140 H ARG 27 H ARG 27 -5.203 3.713 -1.498 141 HA ARG 27 HA ARG 27 -6.347 1.121 -1.273 142 HB2 ARG 27 2HB ARG 27 -8.405 2.416 -1.109 143 HB3 ARG 27 1HB ARG 27 -7.319 2.681 0.265 144 HG2 ARG 27 2HG ARG 27 -6.592 4.776 -0.930 145 HG3 ARG 27 1HG ARG 27 -7.886 4.481 -2.082 146 HD2 ARG 27 2HD ARG 27 -8.271 4.801 0.877 147 HD3 ARG 27 1HD ARG 27 -8.449 6.114 -0.285 148 HE ARG 27 HE ARG 27 -10.099 3.680 -0.342 149 HH11 ARG 27 1HH1 ARG 27 -9.835 7.229 -0.422 150 HH12 ARG 27 2HH1 ARG 27 -11.498 7.504 -0.564 151 HH21 ARG 27 1HH2 ARG 27 -12.461 4.086 -0.572 152 HH22 ARG 27 2HH2 ARG 27 -12.992 5.681 -0.694 153 H ASN 28 H ASN 28 -7.663 0.596 -2.795 154 HA ASN 28 HA ASN 28 -7.264 1.563 -5.524 155 HB2 ASN 28 2HB ASN 28 -9.338 -0.462 -4.600 156 HB3 ASN 28 1HB ASN 28 -8.996 -0.069 -6.271 157 HD21 ASN 28 1HD2 ASN 28 -7.875 -1.718 -3.418 158 HD22 ASN 28 2HD2 ASN 28 -6.731 -2.686 -4.235 159 H GLY 29 H GLY 29 -9.364 2.059 -3.040 160 HA2 GLY 29 2HA GLY 29 -10.736 4.054 -2.947 161 HA3 GLY 29 1HA GLY 29 -10.991 3.879 -4.680 162 H LEU 30 H LEU 30 -11.227 1.478 -2.100 163 HA LEU 30 HA LEU 30 -13.757 0.531 -3.077 164 HB2 LEU 30 2HB LEU 30 -12.236 -0.154 -0.521 165 HB3 LEU 30 1HB LEU 30 -13.614 -1.024 -1.123 166 HG LEU 30 HG LEU 30 -12.105 -1.622 -3.159 167 HD11 LEU 30 1HD1 LEU 30 -9.747 -1.669 -2.750 168 HD12 LEU 30 2HD1 LEU 30 -9.972 -0.793 -1.239 169 HD13 LEU 30 3HD1 LEU 30 -10.356 -0.012 -2.775 170 HD21 LEU 30 3HD2 LEU 30 -11.480 -2.692 -0.421 171 HD22 LEU 30 1HD2 LEU 30 -11.137 -3.498 -1.950 172 HD23 LEU 30 2HD2 LEU 30 -12.808 -3.217 -1.459 173 HA PRO 31 HA PRO 31 -16.631 2.941 -0.570 174 HB2 PRO 31 2HB PRO 31 -17.039 0.495 1.125 175 HB3 PRO 31 1HB PRO 31 -18.254 1.596 0.463 176 HG2 PRO 31 2HG PRO 31 -17.853 -0.741 -0.698 177 HG3 PRO 31 1HG PRO 31 -18.071 0.711 -1.690 178 HD2 PRO 31 2HD PRO 31 -15.589 -0.816 -1.087 179 HD3 PRO 31 1HD PRO 31 -16.025 0.052 -2.566 180 H VAL 32 H VAL 32 -16.354 4.219 1.193 181 HA VAL 32 HA VAL 32 -13.743 4.058 2.273 182 HB VAL 32 HB VAL 32 -15.873 5.971 3.064 183 HG11 VAL 32 1HG1 VAL 32 -12.866 6.170 3.274 184 HG12 VAL 32 2HG1 VAL 32 -13.995 5.965 4.608 185 HG13 VAL 32 3HG1 VAL 32 -13.994 7.465 3.678 186 HG21 VAL 32 3HG2 VAL 32 -13.816 6.217 0.880 187 HG22 VAL 32 1HG2 VAL 32 -14.911 7.503 1.379 188 HG23 VAL 32 2HG2 VAL 32 -15.554 6.027 0.657 189 H THR 33 H THR 33 -13.221 2.882 3.696 190 HA THR 33 HA THR 33 -14.651 2.737 6.272 191 HB THR 33 HB THR 33 -12.843 0.557 5.152 192 HG1 THR 33 1HG THR 33 -15.287 1.217 4.322 193 HG21 THR 33 3HG2 THR 33 -13.199 0.535 7.599 194 HG22 THR 33 1HG2 THR 33 -13.960 -0.857 6.829 195 HG23 THR 33 2HG2 THR 33 -14.943 0.515 7.339 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -9.947 8.224 5.418 2 HA2 GLY 1 2HA GLY 1 -8.574 9.634 6.648 3 HA3 GLY 1 1HA GLY 1 -8.416 8.360 7.859 4 H GLY 2 H GLY 2 -7.223 9.607 4.860 5 HA2 GLY 2 2HA GLY 2 -5.079 9.412 3.994 6 HA3 GLY 2 1HA GLY 2 -4.692 8.265 5.281 7 H GLY 3 H GLY 3 -5.762 6.150 5.128 8 HA2 GLY 3 2HA GLY 3 -7.070 4.973 3.162 9 HA3 GLY 3 1HA GLY 3 -5.484 5.179 2.426 10 H CYS 4 H CYS 4 -3.874 3.865 2.964 11 HA CYS 4 HA CYS 4 -4.457 1.769 4.935 12 HB2 CYS 4 2HB CYS 4 -2.841 1.514 2.360 13 HB3 CYS 4 1HB CYS 4 -3.125 0.241 3.516 14 H GLY 5 H GLY 5 -2.885 1.460 6.471 15 HA2 GLY 5 2HA GLY 5 -0.504 3.147 6.319 16 HA3 GLY 5 1HA GLY 5 -1.112 2.316 7.751 17 H GLU 6 H GLU 6 -1.205 0.536 4.961 18 HA GLU 6 HA GLU 6 0.761 -1.382 5.860 19 HB2 GLU 6 2HB GLU 6 -0.891 -1.246 3.337 20 HB3 GLU 6 1HB GLU 6 0.087 -2.613 3.841 21 HG2 GLU 6 2HG GLU 6 -2.197 -1.532 5.423 22 HG3 GLU 6 1HG GLU 6 -2.344 -2.754 4.150 23 H THR 7 H THR 7 2.645 -1.847 4.700 24 HA THR 7 HA THR 7 3.315 0.058 2.642 25 HB THR 7 HB THR 7 5.620 -0.353 3.382 26 HG1 THR 7 1HG THR 7 5.356 -2.068 4.790 27 HG21 THR 7 3HG2 THR 7 3.774 1.159 5.228 28 HG22 THR 7 1HG2 THR 7 4.576 1.776 3.786 29 HG23 THR 7 2HG2 THR 7 5.528 1.362 5.213 30 H CYS 8 H CYS 8 4.681 -0.790 0.970 31 HA CYS 8 HA CYS 8 4.632 -3.704 0.814 32 HB2 CYS 8 2HB CYS 8 4.032 -3.500 -1.511 33 HB3 CYS 8 1HB CYS 8 2.864 -2.705 -0.449 34 H VAL 9 H VAL 9 6.711 -2.359 1.748 35 HA VAL 9 HA VAL 9 8.582 -1.377 -0.104 36 HB VAL 9 HB VAL 9 9.305 -2.774 2.496 37 HG11 VAL 9 1HG1 VAL 9 10.812 -0.715 0.899 38 HG12 VAL 9 2HG1 VAL 9 11.196 -2.431 1.005 39 HG13 VAL 9 3HG1 VAL 9 11.312 -1.414 2.443 40 HG21 VAL 9 3HG2 VAL 9 7.678 -0.992 2.899 41 HG22 VAL 9 1HG2 VAL 9 8.686 0.139 1.998 42 HG23 VAL 9 2HG2 VAL 9 9.269 -0.544 3.516 43 H GLY 10 H GLY 10 7.920 -4.683 0.894 44 HA2 GLY 10 2HA GLY 10 10.047 -5.755 -0.715 45 HA3 GLY 10 1HA GLY 10 8.781 -6.686 0.093 46 H GLY 11 H GLY 11 6.705 -5.030 -1.056 47 HA2 GLY 11 2HA GLY 11 6.076 -4.481 -3.388 48 HA3 GLY 11 1HA GLY 11 6.794 -6.018 -3.840 49 H THR 12 H THR 12 4.984 -6.064 -0.864 50 HA THR 12 HA THR 12 2.624 -6.975 -2.268 51 HB THR 12 HB THR 12 3.896 -8.371 0.040 52 HG1 THR 12 1HG THR 12 5.296 -8.774 -1.617 53 HG21 THR 12 3HG2 THR 12 2.422 -10.264 -0.579 54 HG22 THR 12 1HG2 THR 12 1.765 -9.289 -1.899 55 HG23 THR 12 2HG2 THR 12 1.519 -8.797 -0.220 56 H CYS 13 H CYS 13 0.890 -6.816 -0.919 57 HA CYS 13 HA CYS 13 1.267 -5.399 1.618 58 HB2 CYS 13 2HB CYS 13 -1.206 -4.998 -0.096 59 HB3 CYS 13 1HB CYS 13 -0.734 -4.206 1.401 60 H ASN 14 H ASN 14 0.226 -6.207 3.306 61 HA ASN 14 HA ASN 14 -0.815 -8.830 3.265 62 HB2 ASN 14 2HB ASN 14 -0.970 -6.639 5.320 63 HB3 ASN 14 1HB ASN 14 -1.470 -8.300 5.617 64 HD21 ASN 14 1HD2 ASN 14 0.741 -6.422 6.511 65 HD22 ASN 14 2HD2 ASN 14 2.149 -7.427 6.455 66 H THR 15 H THR 15 -2.383 -5.728 3.850 67 HA THR 15 HA THR 15 -5.030 -6.757 3.658 68 HB THR 15 HB THR 15 -4.044 -3.895 3.392 69 HG1 THR 15 1HG THR 15 -3.325 -4.759 5.362 70 HG21 THR 15 3HG2 THR 15 -6.384 -4.192 2.719 71 HG22 THR 15 1HG2 THR 15 -6.286 -3.308 4.240 72 HG23 THR 15 2HG2 THR 15 -6.726 -5.018 4.240 73 HA PRO 16 HA PRO 16 -4.602 -7.022 -0.823 74 HB2 PRO 16 2HB PRO 16 -6.873 -8.345 -1.391 75 HB3 PRO 16 1HB PRO 16 -5.492 -9.120 -0.598 76 HG2 PRO 16 2HG PRO 16 -7.988 -8.011 0.642 77 HG3 PRO 16 1HG PRO 16 -7.187 -9.559 0.958 78 HD2 PRO 16 2HD PRO 16 -6.866 -7.388 2.563 79 HD3 PRO 16 1HD PRO 16 -5.593 -8.598 2.320 80 H GLY 17 H GLY 17 -6.648 -5.292 0.705 81 HA2 GLY 17 2HA GLY 17 -8.136 -4.162 -1.573 82 HA3 GLY 17 1HA GLY 17 -8.270 -3.582 0.087 83 H CYS 18 H CYS 18 -5.182 -3.724 -0.040 84 HA CYS 18 HA CYS 18 -4.875 -1.001 -1.056 85 HB2 CYS 18 2HB CYS 18 -3.043 -2.460 0.876 86 HB3 CYS 18 1HB CYS 18 -3.136 -0.749 0.496 87 H THR 19 H THR 19 -3.626 -0.634 -2.661 88 HA THR 19 HA THR 19 -2.294 -2.814 -4.068 89 HB THR 19 HB THR 19 -2.665 0.040 -4.940 90 HG1 THR 19 1HG THR 19 -4.550 -2.053 -4.681 91 HG21 THR 19 3HG2 THR 19 -2.609 -2.572 -6.484 92 HG22 THR 19 1HG2 THR 19 -1.273 -1.424 -6.368 93 HG23 THR 19 2HG2 THR 19 -2.764 -0.964 -7.188 94 H CYS 20 H CYS 20 -0.060 -2.383 -4.814 95 HA CYS 20 HA CYS 20 1.436 -0.999 -2.812 96 HB2 CYS 20 2HB CYS 20 2.159 -3.193 -3.632 97 HB3 CYS 20 1HB CYS 20 2.366 -2.503 -5.240 98 H SER 21 H SER 21 2.017 0.955 -2.949 99 HA SER 21 HA SER 21 2.757 2.165 -5.486 100 HB2 SER 21 2HB SER 21 0.494 3.030 -4.743 101 HB3 SER 21 1HB SER 21 1.224 3.520 -3.220 102 HG SER 21 HG SER 21 1.415 5.294 -4.272 103 H TRP 22 H TRP 22 4.698 1.191 -4.655 104 HA TRP 22 HA TRP 22 5.796 1.107 -2.340 105 HB2 TRP 22 2HB TRP 22 6.614 0.180 -4.444 106 HB3 TRP 22 1HB TRP 22 7.402 1.725 -4.808 107 HD1 TRP 22 HD TRP 22 7.719 -1.429 -2.743 108 HE1 TRP 22 1HE TRP 22 10.003 -1.522 -1.604 109 HE3 TRP 22 3HE TRP 22 9.319 3.288 -3.798 110 HZ2 TRP 22 2HZ TRP 22 12.197 0.195 -1.164 111 HZ3 TRP 22 3HZ TRP 22 11.529 3.995 -2.981 112 HH2 TRP 22 HH TRP 22 12.940 2.475 -1.692 113 HA PRO 23 HA PRO 23 7.210 1.087 -1.153 114 HB2 PRO 23 2HB PRO 23 7.795 2.215 1.419 115 HB3 PRO 23 1HB PRO 23 8.916 1.490 0.263 116 HG2 PRO 23 2HG PRO 23 8.938 4.151 0.909 117 HG3 PRO 23 1HG PRO 23 9.488 3.491 -0.637 118 HD2 PRO 23 2HD PRO 23 6.809 4.706 0.005 119 HD3 PRO 23 1HD PRO 23 7.877 5.011 -1.388 120 H VAL 24 H VAL 24 4.629 3.086 -0.768 121 HA VAL 24 HA VAL 24 3.709 1.686 1.583 122 HB VAL 24 HB VAL 24 2.036 3.485 1.901 123 HG11 VAL 24 1HG1 VAL 24 4.906 4.389 1.786 124 HG12 VAL 24 2HG1 VAL 24 4.090 3.624 3.156 125 HG13 VAL 24 3HG1 VAL 24 3.620 5.238 2.635 126 HG21 VAL 24 3HG2 VAL 24 2.276 5.609 0.678 127 HG22 VAL 24 1HG2 VAL 24 1.834 4.275 -0.391 128 HG23 VAL 24 2HG2 VAL 24 3.498 4.861 -0.352 129 H CYS 25 H CYS 25 1.376 1.014 1.657 130 HA CYS 25 HA CYS 25 0.441 0.300 -0.945 131 HB2 CYS 25 2HB CYS 25 -0.479 -0.206 1.803 132 HB3 CYS 25 1HB CYS 25 -1.146 -0.944 0.382 133 H THR 26 H THR 26 -1.305 1.175 -1.792 134 HA THR 26 HA THR 26 -2.794 3.217 -0.308 135 HB THR 26 HB THR 26 -3.253 4.112 -2.602 136 HG1 THR 26 1HG THR 26 -1.565 3.681 -4.133 137 HG21 THR 26 3HG2 THR 26 -1.146 5.472 -2.591 138 HG22 THR 26 1HG2 THR 26 -0.476 4.331 -1.424 139 HG23 THR 26 2HG2 THR 26 -1.874 5.309 -0.991 140 H ARG 27 H ARG 27 -4.907 3.618 -2.165 141 HA ARG 27 HA ARG 27 -6.152 1.069 -1.954 142 HB2 ARG 27 2HB ARG 27 -7.029 3.880 -1.565 143 HB3 ARG 27 1HB ARG 27 -8.188 2.656 -2.040 144 HG2 ARG 27 2HG ARG 27 -8.186 1.689 0.014 145 HG3 ARG 27 1HG ARG 27 -6.469 2.006 0.273 146 HD2 ARG 27 2HD ARG 27 -8.109 3.277 1.741 147 HD3 ARG 27 1HD ARG 27 -6.859 4.215 0.935 148 HE ARG 27 HE ARG 27 -9.650 4.037 0.016 149 HH11 ARG 27 1HH1 ARG 27 -6.683 5.939 0.577 150 HH12 ARG 27 2HH1 ARG 27 -7.288 7.336 -0.146 151 HH21 ARG 27 1HH2 ARG 27 -10.453 6.017 -1.009 152 HH22 ARG 27 2HH2 ARG 27 -9.483 7.410 -1.033 153 H ASN 28 H ASN 28 -7.787 0.894 -3.429 154 HA ASN 28 HA ASN 28 -7.669 2.319 -5.940 155 HB2 ASN 28 2HB ASN 28 -7.484 0.360 -7.425 156 HB3 ASN 28 1HB ASN 28 -6.074 0.468 -6.399 157 HD21 ASN 28 1HD2 ASN 28 -7.157 -0.853 -4.069 158 HD22 ASN 28 2HD2 ASN 28 -7.428 -2.488 -4.493 159 H GLY 29 H GLY 29 -9.611 3.043 -6.046 160 HA2 GLY 29 2HA GLY 29 -11.892 3.046 -6.371 161 HA3 GLY 29 1HA GLY 29 -11.811 1.300 -6.504 162 H LEU 30 H LEU 30 -10.760 3.178 -3.712 163 HA LEU 30 HA LEU 30 -12.957 1.955 -2.247 164 HB2 LEU 30 2HB LEU 30 -10.057 1.869 -1.559 165 HB3 LEU 30 1HB LEU 30 -11.271 1.738 -0.306 166 HG LEU 30 HG LEU 30 -11.250 -0.031 -2.695 167 HD11 LEU 30 1HD1 LEU 30 -9.100 -0.300 -1.471 168 HD12 LEU 30 2HD1 LEU 30 -10.120 -1.719 -1.238 169 HD13 LEU 30 3HD1 LEU 30 -9.993 -0.507 0.036 170 HD21 LEU 30 3HD2 LEU 30 -12.491 -0.301 0.033 171 HD22 LEU 30 1HD2 LEU 30 -12.549 -1.522 -1.236 172 HD23 LEU 30 2HD2 LEU 30 -13.332 0.038 -1.479 173 HA PRO 31 HA PRO 31 -13.724 5.908 -0.352 174 HB2 PRO 31 2HB PRO 31 -14.317 4.394 2.106 175 HB3 PRO 31 1HB PRO 31 -15.381 5.433 1.157 176 HG2 PRO 31 2HG PRO 31 -15.655 2.753 1.204 177 HG3 PRO 31 1HG PRO 31 -16.040 3.726 -0.225 178 HD2 PRO 31 2HD PRO 31 -13.659 1.969 0.264 179 HD3 PRO 31 1HD PRO 31 -14.516 2.343 -1.224 180 H VAL 32 H VAL 32 -12.742 7.297 0.994 181 HA VAL 32 HA VAL 32 -10.226 6.365 1.955 182 HB VAL 32 HB VAL 32 -10.165 8.403 0.767 183 HG11 VAL 32 1HG1 VAL 32 -12.363 9.330 1.177 184 HG12 VAL 32 2HG1 VAL 32 -11.145 10.520 1.628 185 HG13 VAL 32 3HG1 VAL 32 -11.972 9.586 2.876 186 HG21 VAL 32 3HG2 VAL 32 -8.477 8.177 2.429 187 HG22 VAL 32 1HG2 VAL 32 -9.548 8.825 3.673 188 HG23 VAL 32 2HG2 VAL 32 -8.978 9.869 2.375 189 H THR 33 H THR 33 -9.909 5.610 3.697 190 HA THR 33 HA THR 33 -11.664 5.990 5.994 191 HB THR 33 HB THR 33 -10.244 4.061 6.828 192 HG1 THR 33 1HG THR 33 -8.629 3.522 5.645 193 HG21 THR 33 3HG2 THR 33 -11.749 3.736 4.228 194 HG22 THR 33 1HG2 THR 33 -12.468 3.739 5.837 195 HG23 THR 33 2HG2 THR 33 -11.376 2.436 5.360 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -8.172 7.527 4.540 2 HA2 GLY 1 2HA GLY 1 -6.297 8.445 6.035 3 HA3 GLY 1 1HA GLY 1 -5.741 6.771 5.943 4 H GLY 2 H GLY 2 -3.875 7.864 4.907 5 HA2 GLY 2 2HA GLY 2 -4.266 8.734 2.166 6 HA3 GLY 2 1HA GLY 2 -2.725 8.599 3.013 7 H GLY 3 H GLY 3 -5.339 6.633 1.759 8 HA2 GLY 3 2HA GLY 3 -5.177 4.749 0.421 9 HA3 GLY 3 1HA GLY 3 -3.419 4.829 0.611 10 H CYS 4 H CYS 4 -2.482 3.443 1.976 11 HA CYS 4 HA CYS 4 -4.076 2.404 4.172 12 HB2 CYS 4 2HB CYS 4 -2.297 0.749 2.335 13 HB3 CYS 4 1HB CYS 4 -3.050 0.161 3.809 14 H GLY 5 H GLY 5 -2.819 1.990 6.035 15 HA2 GLY 5 2HA GLY 5 -0.408 3.566 6.164 16 HA3 GLY 5 1HA GLY 5 -1.206 2.745 7.499 17 H GLU 6 H GLU 6 -1.006 0.525 5.209 18 HA GLU 6 HA GLU 6 1.362 -0.636 6.411 19 HB2 GLU 6 2HB GLU 6 0.675 -2.745 5.262 20 HB3 GLU 6 1HB GLU 6 -0.526 -2.127 6.381 21 HG2 GLU 6 2HG GLU 6 -1.765 -1.190 4.475 22 HG3 GLU 6 1HG GLU 6 -0.588 -1.922 3.381 23 H THR 7 H THR 7 2.933 -1.770 4.957 24 HA THR 7 HA THR 7 3.406 0.028 2.740 25 HB THR 7 HB THR 7 5.712 -0.547 3.125 26 HG1 THR 7 1HG THR 7 4.764 -2.389 4.712 27 HG21 THR 7 3HG2 THR 7 4.264 0.773 5.421 28 HG22 THR 7 1HG2 THR 7 4.840 1.554 3.949 29 HG23 THR 7 2HG2 THR 7 5.996 0.921 5.122 30 H CYS 8 H CYS 8 4.741 -0.902 1.003 31 HA CYS 8 HA CYS 8 4.479 -3.792 0.733 32 HB2 CYS 8 2HB CYS 8 3.999 -3.436 -1.625 33 HB3 CYS 8 1HB CYS 8 2.766 -2.776 -0.549 34 H VAL 9 H VAL 9 6.565 -2.236 1.675 35 HA VAL 9 HA VAL 9 8.542 -1.513 -0.199 36 HB VAL 9 HB VAL 9 9.181 -2.698 2.506 37 HG11 VAL 9 1HG1 VAL 9 11.108 -2.398 1.103 38 HG12 VAL 9 2HG1 VAL 9 11.145 -1.244 2.436 39 HG13 VAL 9 3HG1 VAL 9 10.676 -0.712 0.821 40 HG21 VAL 9 3HG2 VAL 9 8.383 0.141 1.870 41 HG22 VAL 9 1HG2 VAL 9 9.122 -0.376 3.392 42 HG23 VAL 9 2HG2 VAL 9 7.556 -1.014 2.922 43 H GLY 10 H GLY 10 7.727 -4.595 1.237 44 HA2 GLY 10 2HA GLY 10 9.961 -5.983 0.068 45 HA3 GLY 10 1HA GLY 10 8.638 -6.699 0.970 46 H GLY 11 H GLY 11 7.082 -4.868 -1.250 47 HA2 GLY 11 2HA GLY 11 7.089 -5.395 -3.692 48 HA3 GLY 11 1HA GLY 11 7.094 -7.076 -3.198 49 H THR 12 H THR 12 5.064 -6.296 -0.930 50 HA THR 12 HA THR 12 2.796 -5.629 -2.454 51 HB THR 12 HB THR 12 3.081 -7.978 -3.168 52 HG1 THR 12 1HG THR 12 0.964 -8.726 -2.275 53 HG21 THR 12 3HG2 THR 12 2.773 -9.823 -1.572 54 HG22 THR 12 1HG2 THR 12 2.697 -8.658 -0.249 55 HG23 THR 12 2HG2 THR 12 4.192 -8.860 -1.157 56 H CYS 13 H CYS 13 0.920 -6.224 -1.097 57 HA CYS 13 HA CYS 13 1.343 -4.953 1.539 58 HB2 CYS 13 2HB CYS 13 -1.206 -5.112 -0.080 59 HB3 CYS 13 1HB CYS 13 -0.942 -4.171 1.381 60 H ASN 14 H ASN 14 -0.608 -5.546 3.080 61 HA ASN 14 HA ASN 14 -0.641 -8.467 3.256 62 HB2 ASN 14 2HB ASN 14 -1.241 -6.317 5.300 63 HB3 ASN 14 1HB ASN 14 -1.458 -8.037 5.591 64 HD21 ASN 14 1HD2 ASN 14 0.770 -5.437 5.355 65 HD22 ASN 14 2HD2 ASN 14 2.166 -6.320 5.843 66 H THR 15 H THR 15 -2.627 -5.595 3.207 67 HA THR 15 HA THR 15 -5.068 -7.146 3.229 68 HB THR 15 HB THR 15 -4.610 -4.166 2.923 69 HG1 THR 15 1HG THR 15 -4.022 -4.363 4.893 70 HG21 THR 15 3HG2 THR 15 -6.954 -3.976 3.685 71 HG22 THR 15 1HG2 THR 15 -7.087 -5.733 3.714 72 HG23 THR 15 2HG2 THR 15 -6.850 -4.891 2.183 73 HA PRO 16 HA PRO 16 -4.816 -7.332 -1.237 74 HB2 PRO 16 2HB PRO 16 -7.173 -8.572 -1.755 75 HB3 PRO 16 1HB PRO 16 -5.766 -9.408 -1.082 76 HG2 PRO 16 2HG PRO 16 -8.191 -8.369 0.328 77 HG3 PRO 16 1HG PRO 16 -7.333 -9.900 0.566 78 HD2 PRO 16 2HD PRO 16 -7.009 -7.724 2.190 79 HD3 PRO 16 1HD PRO 16 -5.743 -8.937 1.923 80 H GLY 17 H GLY 17 -6.697 -5.587 0.423 81 HA2 GLY 17 2HA GLY 17 -8.205 -4.243 -1.742 82 HA3 GLY 17 1HA GLY 17 -8.351 -3.849 -0.032 83 H CYS 18 H CYS 18 -5.227 -4.080 -0.259 84 HA CYS 18 HA CYS 18 -4.861 -1.253 -0.898 85 HB2 CYS 18 2HB CYS 18 -3.157 -3.094 0.818 86 HB3 CYS 18 1HB CYS 18 -2.886 -1.391 0.473 87 H THR 19 H THR 19 -3.620 -0.702 -2.419 88 HA THR 19 HA THR 19 -2.366 -2.717 -4.132 89 HB THR 19 HB THR 19 -2.841 0.205 -4.658 90 HG1 THR 19 1HG THR 19 -4.544 -2.054 -4.900 91 HG21 THR 19 3HG2 THR 19 -2.652 -2.198 -6.505 92 HG22 THR 19 1HG2 THR 19 -1.390 -0.991 -6.254 93 HG23 THR 19 2HG2 THR 19 -2.911 -0.531 -7.022 94 H CYS 20 H CYS 20 -0.160 -2.158 -4.866 95 HA CYS 20 HA CYS 20 1.301 -0.843 -2.772 96 HB2 CYS 20 2HB CYS 20 2.065 -3.008 -3.627 97 HB3 CYS 20 1HB CYS 20 2.258 -2.284 -5.222 98 H SER 21 H SER 21 1.862 1.123 -2.889 99 HA SER 21 HA SER 21 2.430 2.377 -5.449 100 HB2 SER 21 2HB SER 21 0.175 3.078 -4.364 101 HB3 SER 21 1HB SER 21 1.138 3.748 -3.054 102 HG SER 21 HG SER 21 1.936 5.266 -4.387 103 H TRP 22 H TRP 22 4.353 1.235 -4.611 104 HA TRP 22 HA TRP 22 5.589 1.132 -2.387 105 HB2 TRP 22 2HB TRP 22 6.236 0.161 -4.574 106 HB3 TRP 22 1HB TRP 22 7.099 1.658 -4.944 107 HD1 TRP 22 HD TRP 22 7.304 -1.544 -2.924 108 HE1 TRP 22 1HE TRP 22 9.647 -1.788 -1.876 109 HE3 TRP 22 3HE TRP 22 9.174 3.072 -4.057 110 HZ2 TRP 22 2HZ TRP 22 11.965 -0.219 -1.564 111 HZ3 TRP 22 3HZ TRP 22 11.460 3.621 -3.348 112 HH2 TRP 22 HH TRP 22 12.826 2.008 -2.130 113 HA PRO 23 HA PRO 23 7.133 1.012 -1.308 114 HB2 PRO 23 2HB PRO 23 7.877 2.176 1.226 115 HB3 PRO 23 1HB PRO 23 8.907 1.353 0.050 116 HG2 PRO 23 2HG PRO 23 9.128 4.017 0.569 117 HG3 PRO 23 1HG PRO 23 9.482 3.287 -1.006 118 HD2 PRO 23 2HD PRO 23 6.936 4.640 -0.127 119 HD3 PRO 23 1HD PRO 23 7.893 4.917 -1.605 120 H VAL 24 H VAL 24 4.692 3.135 -0.683 121 HA VAL 24 HA VAL 24 3.803 1.615 1.617 122 HB VAL 24 HB VAL 24 2.262 3.455 2.140 123 HG11 VAL 24 1HG1 VAL 24 3.957 5.094 2.861 124 HG12 VAL 24 2HG1 VAL 24 5.147 4.278 1.847 125 HG13 VAL 24 3HG1 VAL 24 4.423 3.435 3.216 126 HG21 VAL 24 3HG2 VAL 24 2.493 5.627 1.001 127 HG22 VAL 24 1HG2 VAL 24 1.925 4.365 -0.094 128 HG23 VAL 24 2HG2 VAL 24 3.607 4.889 -0.150 129 H CYS 25 H CYS 25 1.453 1.039 1.748 130 HA CYS 25 HA CYS 25 0.482 0.367 -0.831 131 HB2 CYS 25 2HB CYS 25 -0.315 -0.227 1.973 132 HB3 CYS 25 1HB CYS 25 -1.156 -0.793 0.555 133 H THR 26 H THR 26 -1.566 0.931 -1.510 134 HA THR 26 HA THR 26 -2.851 3.113 -0.087 135 HB THR 26 HB THR 26 -3.458 3.948 -2.369 136 HG1 THR 26 1HG THR 26 -2.730 2.707 -3.939 137 HG21 THR 26 3HG2 THR 26 -1.322 5.257 -2.544 138 HG22 THR 26 1HG2 THR 26 -0.595 4.110 -1.413 139 HG23 THR 26 2HG2 THR 26 -1.917 5.128 -0.880 140 H ARG 27 H ARG 27 -5.070 3.519 -1.521 141 HA ARG 27 HA ARG 27 -6.339 0.941 -1.607 142 HB2 ARG 27 2HB ARG 27 -6.961 3.411 -0.146 143 HB3 ARG 27 1HB ARG 27 -8.319 2.617 -0.907 144 HG2 ARG 27 2HG ARG 27 -7.900 0.595 0.358 145 HG3 ARG 27 1HG ARG 27 -6.399 1.268 0.991 146 HD2 ARG 27 2HD ARG 27 -7.595 2.907 2.260 147 HD3 ARG 27 1HD ARG 27 -9.122 2.459 1.497 148 HE ARG 27 HE ARG 27 -9.094 0.432 2.686 149 HH11 ARG 27 1HH1 ARG 27 -6.503 2.630 3.770 150 HH12 ARG 27 2HH1 ARG 27 -6.359 1.919 5.305 151 HH21 ARG 27 1HH2 ARG 27 -8.895 -0.519 4.795 152 HH22 ARG 27 2HH2 ARG 27 -7.763 0.089 5.907 153 H ASN 28 H ASN 28 -7.113 0.621 -3.448 154 HA ASN 28 HA ASN 28 -7.132 2.675 -5.465 155 HB2 ASN 28 2HB ASN 28 -7.700 0.869 -7.105 156 HB3 ASN 28 1HB ASN 28 -6.249 0.538 -6.179 157 HD21 ASN 28 1HD2 ASN 28 -6.277 -1.147 -4.709 158 HD22 ASN 28 2HD2 ASN 28 -7.481 -2.381 -4.695 159 H GLY 29 H GLY 29 -8.692 4.105 -5.197 160 HA2 GLY 29 2HA GLY 29 -10.772 5.032 -5.411 161 HA3 GLY 29 1HA GLY 29 -11.218 3.574 -6.286 162 H LEU 30 H LEU 30 -10.276 4.061 -2.928 163 HA LEU 30 HA LEU 30 -12.834 2.880 -2.191 164 HB2 LEU 30 2HB LEU 30 -10.105 2.329 -1.114 165 HB3 LEU 30 1HB LEU 30 -11.512 2.004 -0.133 166 HG LEU 30 HG LEU 30 -11.074 0.859 -2.849 167 HD11 LEU 30 1HD1 LEU 30 -9.296 0.069 -1.340 168 HD12 LEU 30 2HD1 LEU 30 -10.439 -1.247 -1.623 169 HD13 LEU 30 3HD1 LEU 30 -10.497 -0.335 -0.117 170 HD21 LEU 30 3HD2 LEU 30 -12.967 0.105 -0.632 171 HD22 LEU 30 1HD2 LEU 30 -12.762 -0.793 -2.134 172 HD23 LEU 30 2HD2 LEU 30 -13.389 0.852 -2.174 173 HA PRO 31 HA PRO 31 -13.910 6.181 0.478 174 HB2 PRO 31 2HB PRO 31 -13.893 4.179 2.691 175 HB3 PRO 31 1HB PRO 31 -15.154 5.326 2.221 176 HG2 PRO 31 2HG PRO 31 -15.405 2.765 1.615 177 HG3 PRO 31 1HG PRO 31 -15.880 4.024 0.461 178 HD2 PRO 31 2HD PRO 31 -13.452 2.277 0.446 179 HD3 PRO 31 1HD PRO 31 -14.380 2.869 -0.916 180 H VAL 32 H VAL 32 -12.889 7.659 1.670 181 HA VAL 32 HA VAL 32 -10.171 7.216 2.161 182 HB VAL 32 HB VAL 32 -10.773 9.387 1.476 183 HG11 VAL 32 1HG1 VAL 32 -13.013 9.608 2.370 184 HG12 VAL 32 2HG1 VAL 32 -12.042 10.986 2.888 185 HG13 VAL 32 3HG1 VAL 32 -12.376 9.670 4.013 186 HG21 VAL 32 3HG2 VAL 32 -9.646 10.811 3.162 187 HG22 VAL 32 1HG2 VAL 32 -8.797 9.297 2.845 188 HG23 VAL 32 2HG2 VAL 32 -9.758 9.478 4.311 189 H THR 33 H THR 33 -9.325 6.233 3.561 190 HA THR 33 HA THR 33 -10.347 6.199 6.328 191 HB THR 33 HB THR 33 -8.971 3.857 4.954 192 HG1 THR 33 1HG THR 33 -10.996 4.471 3.898 193 HG21 THR 33 3HG2 THR 33 -10.043 2.545 6.736 194 HG22 THR 33 1HG2 THR 33 -10.818 4.003 7.359 195 HG23 THR 33 2HG2 THR 33 -9.065 3.836 7.436 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -7.371 10.005 3.731 2 HA2 GLY 1 2HA GLY 1 -5.154 10.611 2.129 3 HA3 GLY 1 1HA GLY 1 -5.351 11.043 3.820 4 H GLY 2 H GLY 2 -3.929 8.929 1.583 5 HA2 GLY 2 2HA GLY 2 -1.722 8.081 2.242 6 HA3 GLY 2 1HA GLY 2 -2.473 7.584 3.758 7 H GLY 3 H GLY 3 -4.881 6.710 2.551 8 HA2 GLY 3 2HA GLY 3 -5.773 4.966 1.287 9 HA3 GLY 3 1HA GLY 3 -4.152 4.570 0.732 10 H CYS 4 H CYS 4 -2.719 3.487 2.268 11 HA CYS 4 HA CYS 4 -4.083 2.134 4.452 12 HB2 CYS 4 2HB CYS 4 -2.457 0.760 2.283 13 HB3 CYS 4 1HB CYS 4 -3.012 -0.026 3.752 14 H GLY 5 H GLY 5 -2.738 1.822 6.203 15 HA2 GLY 5 2HA GLY 5 -0.342 3.406 6.224 16 HA3 GLY 5 1HA GLY 5 -1.032 2.536 7.584 17 H GLU 6 H GLU 6 -0.865 0.319 5.273 18 HA GLU 6 HA GLU 6 1.575 -0.779 6.388 19 HB2 GLU 6 2HB GLU 6 0.901 -2.868 5.121 20 HB3 GLU 6 1HB GLU 6 -0.235 -2.354 6.356 21 HG2 GLU 6 2HG GLU 6 -1.630 -1.330 4.603 22 HG3 GLU 6 1HG GLU 6 -0.509 -1.936 3.385 23 H THR 7 H THR 7 3.394 -1.366 5.107 24 HA THR 7 HA THR 7 3.471 0.120 2.646 25 HB THR 7 HB THR 7 5.911 -0.134 2.958 26 HG1 THR 7 1HG THR 7 6.047 -1.786 4.450 27 HG21 THR 7 3HG2 THR 7 6.053 1.638 4.671 28 HG22 THR 7 1HG2 THR 7 4.370 1.319 5.099 29 HG23 THR 7 2HG2 THR 7 4.775 1.921 3.490 30 H CYS 8 H CYS 8 4.815 -0.791 0.906 31 HA CYS 8 HA CYS 8 4.644 -3.710 0.794 32 HB2 CYS 8 2HB CYS 8 4.156 -3.402 -1.618 33 HB3 CYS 8 1HB CYS 8 2.904 -2.910 -0.476 34 H VAL 9 H VAL 9 6.796 -2.148 1.551 35 HA VAL 9 HA VAL 9 8.607 -1.621 -0.581 36 HB VAL 9 HB VAL 9 9.533 -2.315 2.205 37 HG11 VAL 9 1HG1 VAL 9 10.622 -0.427 0.137 38 HG12 VAL 9 2HG1 VAL 9 11.264 -2.012 0.557 39 HG13 VAL 9 3HG1 VAL 9 11.305 -0.701 1.739 40 HG21 VAL 9 3HG2 VAL 9 7.741 -0.737 2.534 41 HG22 VAL 9 1HG2 VAL 9 8.407 0.331 1.303 42 HG23 VAL 9 2HG2 VAL 9 9.282 0.069 2.809 43 H GLY 10 H GLY 10 7.789 -4.445 1.259 44 HA2 GLY 10 2HA GLY 10 10.005 -6.036 0.340 45 HA3 GLY 10 1HA GLY 10 8.602 -6.608 1.237 46 H GLY 11 H GLY 11 6.992 -5.077 -0.925 47 HA2 GLY 11 2HA GLY 11 6.979 -5.489 -3.377 48 HA3 GLY 11 1HA GLY 11 7.242 -7.171 -2.968 49 H THR 12 H THR 12 5.078 -6.555 -0.611 50 HA THR 12 HA THR 12 2.771 -6.592 -2.325 51 HB THR 12 HB THR 12 3.188 -8.861 -0.359 52 HG1 THR 12 1HG THR 12 4.799 -8.906 -2.109 53 HG21 THR 12 3HG2 THR 12 1.391 -8.560 -2.778 54 HG22 THR 12 1HG2 THR 12 0.891 -8.414 -1.093 55 HG23 THR 12 2HG2 THR 12 1.448 -9.967 -1.715 56 H CYS 13 H CYS 13 0.922 -6.379 -1.041 57 HA CYS 13 HA CYS 13 1.330 -5.134 1.576 58 HB2 CYS 13 2HB CYS 13 -1.124 -5.147 -0.219 59 HB3 CYS 13 1HB CYS 13 -0.933 -4.217 1.261 60 H ASN 14 H ASN 14 -0.630 -5.638 3.118 61 HA ASN 14 HA ASN 14 -0.955 -8.554 3.143 62 HB2 ASN 14 2HB ASN 14 -0.845 -6.526 5.351 63 HB3 ASN 14 1HB ASN 14 -1.657 -8.064 5.615 64 HD21 ASN 14 1HD2 ASN 14 1.405 -6.505 5.020 65 HD22 ASN 14 2HD2 ASN 14 2.381 -7.846 5.468 66 H THR 15 H THR 15 -2.607 -5.630 2.824 67 HA THR 15 HA THR 15 -5.165 -7.026 3.076 68 HB THR 15 HB THR 15 -4.607 -4.065 2.732 69 HG1 THR 15 1HG THR 15 -3.823 -4.549 4.698 70 HG21 THR 15 3HG2 THR 15 -6.867 -4.736 2.052 71 HG22 THR 15 1HG2 THR 15 -6.918 -3.804 3.548 72 HG23 THR 15 2HG2 THR 15 -7.092 -5.560 3.594 73 HA PRO 16 HA PRO 16 -4.911 -7.201 -1.414 74 HB2 PRO 16 2HB PRO 16 -7.269 -8.418 -1.935 75 HB3 PRO 16 1HB PRO 16 -5.886 -9.283 -1.250 76 HG2 PRO 16 2HG PRO 16 -8.290 -8.168 0.139 77 HG3 PRO 16 1HG PRO 16 -7.488 -9.729 0.385 78 HD2 PRO 16 2HD PRO 16 -7.109 -7.572 2.014 79 HD3 PRO 16 1HD PRO 16 -5.868 -8.813 1.747 80 H GLY 17 H GLY 17 -6.801 -5.490 0.281 81 HA2 GLY 17 2HA GLY 17 -8.211 -4.076 -1.896 82 HA3 GLY 17 1HA GLY 17 -8.454 -3.739 -0.179 83 H CYS 18 H CYS 18 -5.294 -4.024 -0.331 84 HA CYS 18 HA CYS 18 -4.861 -1.186 -0.824 85 HB2 CYS 18 2HB CYS 18 -3.264 -3.128 0.884 86 HB3 CYS 18 1HB CYS 18 -2.937 -1.417 0.641 87 H THR 19 H THR 19 -3.692 -0.678 -2.425 88 HA THR 19 HA THR 19 -2.348 -2.729 -4.023 89 HB THR 19 HB THR 19 -2.970 0.130 -4.734 90 HG1 THR 19 1HG THR 19 -4.575 -2.208 -5.097 91 HG21 THR 19 3HG2 THR 19 -3.023 -0.782 -7.039 92 HG22 THR 19 1HG2 THR 19 -2.644 -2.382 -6.404 93 HG23 THR 19 2HG2 THR 19 -1.466 -1.075 -6.264 94 H CYS 20 H CYS 20 -0.173 -1.980 -4.919 95 HA CYS 20 HA CYS 20 1.226 -0.643 -2.786 96 HB2 CYS 20 2HB CYS 20 2.012 -2.828 -3.556 97 HB3 CYS 20 1HB CYS 20 2.249 -2.158 -5.167 98 H SER 21 H SER 21 1.676 1.412 -2.940 99 HA SER 21 HA SER 21 2.385 2.572 -5.495 100 HB2 SER 21 2HB SER 21 1.105 3.795 -3.037 101 HB3 SER 21 1HB SER 21 1.564 4.657 -4.503 102 HG SER 21 HG SER 21 0.131 2.801 -5.419 103 H TRP 22 H TRP 22 4.369 1.445 -4.782 104 HA TRP 22 HA TRP 22 5.578 1.323 -2.520 105 HB2 TRP 22 2HB TRP 22 6.239 0.296 -4.643 106 HB3 TRP 22 1HB TRP 22 7.058 1.798 -5.098 107 HD1 TRP 22 HD TRP 22 7.413 -1.323 -2.983 108 HE1 TRP 22 1HE TRP 22 9.771 -1.443 -1.979 109 HE3 TRP 22 3HE TRP 22 9.073 3.328 -4.247 110 HZ2 TRP 22 2HZ TRP 22 12.024 0.223 -1.722 111 HZ3 TRP 22 3HZ TRP 22 11.349 3.987 -3.585 112 HH2 TRP 22 HH TRP 22 12.790 2.461 -2.349 113 HA PRO 23 HA PRO 23 7.090 1.240 -1.442 114 HB2 PRO 23 2HB PRO 23 7.842 2.402 1.075 115 HB3 PRO 23 1HB PRO 23 8.872 1.628 -0.139 116 HG2 PRO 23 2HG PRO 23 8.991 4.294 0.454 117 HG3 PRO 23 1HG PRO 23 9.429 3.595 -1.113 118 HD2 PRO 23 2HD PRO 23 6.823 4.838 -0.295 119 HD3 PRO 23 1HD PRO 23 7.796 5.157 -1.759 120 H VAL 24 H VAL 24 4.521 3.272 -0.872 121 HA VAL 24 HA VAL 24 3.726 1.796 1.498 122 HB VAL 24 HB VAL 24 2.135 3.579 2.012 123 HG11 VAL 24 1HG1 VAL 24 3.747 5.357 2.614 124 HG12 VAL 24 2HG1 VAL 24 4.969 4.533 1.642 125 HG13 VAL 24 3HG1 VAL 24 4.282 3.746 3.063 126 HG21 VAL 24 3HG2 VAL 24 1.661 4.422 -0.209 127 HG22 VAL 24 1HG2 VAL 24 3.318 5.007 -0.358 128 HG23 VAL 24 2HG2 VAL 24 2.227 5.743 0.817 129 H CYS 25 H CYS 25 1.493 0.930 1.654 130 HA CYS 25 HA CYS 25 0.400 0.352 -0.881 131 HB2 CYS 25 2HB CYS 25 -0.350 -0.326 1.938 132 HB3 CYS 25 1HB CYS 25 -1.119 -0.938 0.493 133 H THR 26 H THR 26 -1.659 0.962 -1.481 134 HA THR 26 HA THR 26 -2.967 3.061 0.084 135 HB THR 26 HB THR 26 -3.579 4.078 -2.079 136 HG1 THR 26 1HG THR 26 -1.354 3.121 -3.426 137 HG21 THR 26 3HG2 THR 26 -1.890 5.079 -0.626 138 HG22 THR 26 1HG2 THR 26 -1.408 5.314 -2.312 139 HG23 THR 26 2HG2 THR 26 -0.655 4.051 -1.321 140 H ARG 27 H ARG 27 -5.237 3.460 -1.630 141 HA ARG 27 HA ARG 27 -6.334 0.860 -1.536 142 HB2 ARG 27 2HB ARG 27 -7.383 3.543 -0.784 143 HB3 ARG 27 1HB ARG 27 -8.476 2.268 -1.284 144 HG2 ARG 27 2HG ARG 27 -7.678 0.873 0.562 145 HG3 ARG 27 1HG ARG 27 -6.542 2.141 1.027 146 HD2 ARG 27 2HD ARG 27 -8.314 3.623 1.617 147 HD3 ARG 27 1HD ARG 27 -9.524 2.558 0.900 148 HE ARG 27 HE ARG 27 -8.284 1.048 2.789 149 HH11 ARG 27 1HH1 ARG 27 -9.933 4.219 2.982 150 HH12 ARG 27 2HH1 ARG 27 -10.648 3.858 4.479 151 HH21 ARG 27 1HH2 ARG 27 -9.265 0.655 4.887 152 HH22 ARG 27 2HH2 ARG 27 -10.270 1.828 5.579 153 H ASN 28 H ASN 28 -7.709 0.455 -3.082 154 HA ASN 28 HA ASN 28 -7.715 2.147 -5.521 155 HB2 ASN 28 2HB ASN 28 -7.473 0.230 -6.950 156 HB3 ASN 28 1HB ASN 28 -6.231 0.078 -5.715 157 HD21 ASN 28 1HD2 ASN 28 -6.546 -1.483 -4.066 158 HD22 ASN 28 2HD2 ASN 28 -7.571 -2.853 -4.292 159 H GLY 29 H GLY 29 -9.664 2.465 -6.435 160 HA2 GLY 29 2HA GLY 29 -11.920 2.394 -6.835 161 HA3 GLY 29 1HA GLY 29 -11.828 0.678 -6.466 162 H LEU 30 H LEU 30 -10.932 3.120 -4.214 163 HA LEU 30 HA LEU 30 -13.308 2.528 -2.641 164 HB2 LEU 30 2HB LEU 30 -10.440 2.351 -1.814 165 HB3 LEU 30 1HB LEU 30 -11.678 2.626 -0.612 166 HG LEU 30 HG LEU 30 -11.556 0.337 -2.490 167 HD11 LEU 30 1HD1 LEU 30 -9.728 0.208 -0.853 168 HD12 LEU 30 2HD1 LEU 30 -10.943 -1.006 -0.446 169 HD13 LEU 30 3HD1 LEU 30 -10.865 0.502 0.461 170 HD21 LEU 30 3HD2 LEU 30 -13.261 -0.694 -1.001 171 HD22 LEU 30 1HD2 LEU 30 -13.829 0.743 -1.847 172 HD23 LEU 30 2HD2 LEU 30 -13.374 0.845 -0.149 173 HA PRO 31 HA PRO 31 -13.666 6.838 -1.605 174 HB2 PRO 31 2HB PRO 31 -13.367 5.986 1.244 175 HB3 PRO 31 1HB PRO 31 -14.641 6.959 0.501 176 HG2 PRO 31 2HG PRO 31 -15.128 4.443 1.163 177 HG3 PRO 31 1HG PRO 31 -15.744 5.097 -0.366 178 HD2 PRO 31 2HD PRO 31 -13.387 3.289 0.093 179 HD3 PRO 31 1HD PRO 31 -14.534 3.243 -1.218 180 H VAL 32 H VAL 32 -12.232 8.464 -1.392 181 HA VAL 32 HA VAL 32 -9.535 7.620 -1.184 182 HB VAL 32 HB VAL 32 -10.508 10.448 -1.458 183 HG11 VAL 32 1HG1 VAL 32 -8.269 10.876 -2.399 184 HG12 VAL 32 2HG1 VAL 32 -7.821 9.211 -2.037 185 HG13 VAL 32 3HG1 VAL 32 -8.204 10.325 -0.725 186 HG21 VAL 32 3HG2 VAL 32 -9.749 8.461 -3.598 187 HG22 VAL 32 1HG2 VAL 32 -10.086 10.169 -3.876 188 HG23 VAL 32 2HG2 VAL 32 -11.361 9.103 -3.290 189 H THR 33 H THR 33 -8.531 7.428 0.409 190 HA THR 33 HA THR 33 -9.107 8.878 2.898 191 HB THR 33 HB THR 33 -7.746 6.191 2.590 192 HG1 THR 33 1HG THR 33 -10.063 6.486 1.826 193 HG21 THR 33 3HG2 THR 33 -7.392 7.359 4.732 194 HG22 THR 33 1HG2 THR 33 -8.404 5.933 4.959 195 HG23 THR 33 2HG2 THR 33 -9.134 7.538 4.926 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.965 1.382 7.555 2 HA2 GLY 1 2HA GLY 1 -9.989 3.399 8.799 3 HA3 GLY 1 1HA GLY 1 -8.516 2.901 7.958 4 H GLY 2 H GLY 2 -8.774 5.101 6.997 5 HA2 GLY 2 2HA GLY 2 -10.827 5.195 4.894 6 HA3 GLY 2 1HA GLY 2 -9.830 6.548 5.418 7 H GLY 3 H GLY 3 -7.570 4.509 5.392 8 HA2 GLY 3 2HA GLY 3 -7.165 4.119 2.561 9 HA3 GLY 3 1HA GLY 3 -6.060 5.235 3.366 10 H CYS 4 H CYS 4 -4.582 3.413 2.587 11 HA CYS 4 HA CYS 4 -4.677 1.294 4.564 12 HB2 CYS 4 2HB CYS 4 -3.255 1.287 1.888 13 HB3 CYS 4 1HB CYS 4 -3.090 0.074 3.131 14 H GLY 5 H GLY 5 -3.359 1.285 6.172 15 HA2 GLY 5 2HA GLY 5 -1.029 3.037 6.194 16 HA3 GLY 5 1HA GLY 5 -1.659 2.108 7.552 17 H GLU 6 H GLU 6 -1.294 0.646 4.531 18 HA GLU 6 HA GLU 6 0.581 -1.308 5.559 19 HB2 GLU 6 2HB GLU 6 -0.985 -1.155 2.982 20 HB3 GLU 6 1HB GLU 6 0.040 -2.502 3.449 21 HG2 GLU 6 2HG GLU 6 -2.341 -1.549 4.992 22 HG3 GLU 6 1HG GLU 6 -2.386 -2.822 3.768 23 H THR 7 H THR 7 2.521 -1.832 4.369 24 HA THR 7 HA THR 7 3.356 0.100 2.389 25 HB THR 7 HB THR 7 5.616 -0.510 3.217 26 HG1 THR 7 1HG THR 7 4.441 -1.207 5.692 27 HG21 THR 7 3HG2 THR 7 5.571 1.065 5.140 28 HG22 THR 7 1HG2 THR 7 3.810 0.969 5.130 29 HG23 THR 7 2HG2 THR 7 4.664 1.659 3.748 30 H CYS 8 H CYS 8 4.731 -0.904 0.717 31 HA CYS 8 HA CYS 8 4.404 -3.802 0.630 32 HB2 CYS 8 2HB CYS 8 4.123 -3.583 -1.793 33 HB3 CYS 8 1HB CYS 8 2.831 -2.896 -0.808 34 H VAL 9 H VAL 9 6.537 -2.363 1.583 35 HA VAL 9 HA VAL 9 8.686 -2.021 -0.238 36 HB VAL 9 HB VAL 9 9.000 -2.847 2.658 37 HG11 VAL 9 1HG1 VAL 9 11.089 -1.586 2.571 38 HG12 VAL 9 2HG1 VAL 9 10.804 -1.253 0.863 39 HG13 VAL 9 3HG1 VAL 9 11.054 -2.912 1.408 40 HG21 VAL 9 3HG2 VAL 9 7.467 -0.957 2.559 41 HG22 VAL 9 1HG2 VAL 9 8.623 -0.057 1.582 42 HG23 VAL 9 2HG2 VAL 9 9.013 -0.471 3.252 43 H GLY 10 H GLY 10 7.478 -4.746 1.597 44 HA2 GLY 10 2HA GLY 10 9.560 -6.566 0.964 45 HA3 GLY 10 1HA GLY 10 7.972 -6.977 1.599 46 H GLY 11 H GLY 11 6.957 -5.349 -0.861 47 HA2 GLY 11 2HA GLY 11 7.381 -5.987 -3.269 48 HA3 GLY 11 1HA GLY 11 7.188 -7.633 -2.697 49 H THR 12 H THR 12 4.911 -6.567 -0.823 50 HA THR 12 HA THR 12 2.887 -5.898 -2.704 51 HB THR 12 HB THR 12 2.751 -8.580 -1.274 52 HG1 THR 12 1HG THR 12 3.866 -7.878 -3.688 53 HG21 THR 12 3HG2 THR 12 0.838 -9.034 -2.763 54 HG22 THR 12 1HG2 THR 12 1.040 -7.446 -3.505 55 HG23 THR 12 2HG2 THR 12 0.562 -7.576 -1.811 56 H CYS 13 H CYS 13 0.919 -5.662 -1.481 57 HA CYS 13 HA CYS 13 1.367 -4.680 1.227 58 HB2 CYS 13 2HB CYS 13 -1.196 -4.739 -0.386 59 HB3 CYS 13 1HB CYS 13 -0.878 -3.783 1.056 60 H ASN 14 H ASN 14 0.505 -5.704 3.059 61 HA ASN 14 HA ASN 14 -0.148 -8.451 2.712 62 HB2 ASN 14 2HB ASN 14 -0.013 -6.711 5.166 63 HB3 ASN 14 1HB ASN 14 -0.556 -8.385 5.245 64 HD21 ASN 14 1HD2 ASN 14 2.153 -6.278 4.782 65 HD22 ASN 14 2HD2 ASN 14 3.367 -7.501 4.824 66 H THR 15 H THR 15 -2.007 -5.639 3.737 67 HA THR 15 HA THR 15 -4.434 -7.131 3.641 68 HB THR 15 HB THR 15 -4.088 -4.114 3.460 69 HG1 THR 15 1HG THR 15 -3.060 -4.923 5.325 70 HG21 THR 15 3HG2 THR 15 -6.323 -4.091 4.496 71 HG22 THR 15 1HG2 THR 15 -6.382 -5.847 4.401 72 HG23 THR 15 2HG2 THR 15 -6.349 -4.886 2.918 73 HA PRO 16 HA PRO 16 -4.412 -7.263 -0.817 74 HB2 PRO 16 2HB PRO 16 -6.733 -8.573 -1.233 75 HB3 PRO 16 1HB PRO 16 -5.289 -9.344 -0.557 76 HG2 PRO 16 2HG PRO 16 -7.682 -8.261 0.891 77 HG3 PRO 16 1HG PRO 16 -6.864 -9.819 1.112 78 HD2 PRO 16 2HD PRO 16 -6.406 -7.695 2.730 79 HD3 PRO 16 1HD PRO 16 -5.145 -8.882 2.341 80 H GLY 17 H GLY 17 -6.217 -5.455 0.835 81 HA2 GLY 17 2HA GLY 17 -7.936 -4.408 -1.341 82 HA3 GLY 17 1HA GLY 17 -8.090 -3.914 0.342 83 H CYS 18 H CYS 18 -4.903 -3.937 -0.453 84 HA CYS 18 HA CYS 18 -4.943 -1.031 -0.854 85 HB2 CYS 18 2HB CYS 18 -2.799 -2.699 0.470 86 HB3 CYS 18 1HB CYS 18 -2.989 -0.952 0.441 87 H THR 19 H THR 19 -3.708 -0.117 -2.361 88 HA THR 19 HA THR 19 -2.674 -1.754 -4.525 89 HB THR 19 HB THR 19 -2.515 1.192 -4.275 90 HG1 THR 19 1HG THR 19 -4.799 -0.285 -5.154 91 HG21 THR 19 3HG2 THR 19 -2.870 1.128 -6.731 92 HG22 THR 19 1HG2 THR 19 -2.990 -0.630 -6.640 93 HG23 THR 19 2HG2 THR 19 -1.476 0.171 -6.225 94 H CYS 20 H CYS 20 -0.423 -1.699 -5.034 95 HA CYS 20 HA CYS 20 1.246 -0.624 -2.927 96 HB2 CYS 20 2HB CYS 20 1.722 -2.876 -3.559 97 HB3 CYS 20 1HB CYS 20 1.879 -2.395 -5.254 98 H SER 21 H SER 21 1.549 1.429 -3.183 99 HA SER 21 HA SER 21 2.634 2.356 -5.705 100 HB2 SER 21 2HB SER 21 1.968 4.633 -4.531 101 HB3 SER 21 1HB SER 21 0.719 3.685 -5.346 102 HG SER 21 HG SER 21 1.352 3.743 -2.589 103 H TRP 22 H TRP 22 4.450 1.137 -4.836 104 HA TRP 22 HA TRP 22 5.606 1.019 -2.550 105 HB2 TRP 22 2HB TRP 22 6.240 -0.125 -4.626 106 HB3 TRP 22 1HB TRP 22 7.192 1.288 -5.106 107 HD1 TRP 22 HD TRP 22 7.220 -1.779 -2.901 108 HE1 TRP 22 1HE TRP 22 9.531 -2.068 -1.806 109 HE3 TRP 22 3HE TRP 22 9.322 2.682 -4.216 110 HZ2 TRP 22 2HZ TRP 22 11.886 -0.608 -1.498 111 HZ3 TRP 22 3HZ TRP 22 11.618 3.158 -3.477 112 HH2 TRP 22 HH TRP 22 12.870 1.544 -2.146 113 HA PRO 23 HA PRO 23 7.101 0.846 -1.426 114 HB2 PRO 23 2HB PRO 23 7.906 2.014 1.066 115 HB3 PRO 23 1HB PRO 23 8.898 1.139 -0.107 116 HG2 PRO 23 2HG PRO 23 9.204 3.817 0.416 117 HG3 PRO 23 1HG PRO 23 9.619 3.025 -1.115 118 HD2 PRO 23 2HD PRO 23 7.103 4.534 -0.433 119 HD3 PRO 23 1HD PRO 23 8.143 4.671 -1.877 120 H VAL 24 H VAL 24 4.873 3.231 -0.903 121 HA VAL 24 HA VAL 24 3.834 1.884 1.435 122 HB VAL 24 HB VAL 24 2.506 3.929 1.905 123 HG11 VAL 24 1HG1 VAL 24 5.487 4.314 1.675 124 HG12 VAL 24 2HG1 VAL 24 4.615 3.628 3.050 125 HG13 VAL 24 3HG1 VAL 24 4.416 5.329 2.634 126 HG21 VAL 24 3HG2 VAL 24 2.369 4.845 -0.352 127 HG22 VAL 24 1HG2 VAL 24 4.109 5.133 -0.354 128 HG23 VAL 24 2HG2 VAL 24 3.068 6.031 0.752 129 H CYS 25 H CYS 25 1.569 1.271 1.536 130 HA CYS 25 HA CYS 25 0.494 0.887 -1.061 131 HB2 CYS 25 2HB CYS 25 -0.264 0.005 1.655 132 HB3 CYS 25 1HB CYS 25 -1.048 -0.460 0.166 133 H THR 26 H THR 26 -1.352 1.688 -1.681 134 HA THR 26 HA THR 26 -2.722 3.655 -0.017 135 HB THR 26 HB THR 26 -3.694 4.169 -2.362 136 HG1 THR 26 1HG THR 26 -1.138 3.417 -3.276 137 HG21 THR 26 3HG2 THR 26 -0.887 4.952 -1.549 138 HG22 THR 26 1HG2 THR 26 -2.373 5.763 -1.066 139 HG23 THR 26 2HG2 THR 26 -1.846 5.817 -2.752 140 H ARG 27 H ARG 27 -5.209 3.653 -1.422 141 HA ARG 27 HA ARG 27 -6.053 0.953 -0.921 142 HB2 ARG 27 2HB ARG 27 -6.767 2.655 0.800 143 HB3 ARG 27 1HB ARG 27 -7.595 3.520 -0.486 144 HG2 ARG 27 2HG ARG 27 -8.950 1.426 -0.866 145 HG3 ARG 27 1HG ARG 27 -8.229 0.794 0.612 146 HD2 ARG 27 2HD ARG 27 -10.399 1.768 1.097 147 HD3 ARG 27 1HD ARG 27 -9.126 2.735 1.849 148 HE ARG 27 HE ARG 27 -9.519 3.891 -0.574 149 HH11 ARG 27 1HH1 ARG 27 -11.612 3.262 2.187 150 HH12 ARG 27 2HH1 ARG 27 -12.660 4.565 1.877 151 HH21 ARG 27 1HH2 ARG 27 -10.948 5.649 -1.036 152 HH22 ARG 27 2HH2 ARG 27 -12.273 5.962 -0.023 153 H ASN 28 H ASN 28 -7.235 0.215 -2.449 154 HA ASN 28 HA ASN 28 -7.237 1.478 -5.083 155 HB2 ASN 28 2HB ASN 28 -8.704 -1.078 -4.373 156 HB3 ASN 28 1HB ASN 28 -8.362 -0.493 -5.980 157 HD21 ASN 28 1HD2 ASN 28 -7.007 -1.918 -3.106 158 HD22 ASN 28 2HD2 ASN 28 -5.652 -2.616 -3.871 159 H GLY 29 H GLY 29 -9.283 1.491 -2.544 160 HA2 GLY 29 2HA GLY 29 -11.179 3.083 -2.638 161 HA3 GLY 29 1HA GLY 29 -11.584 2.350 -4.188 162 H LEU 30 H LEU 30 -10.851 -0.349 -3.030 163 HA LEU 30 HA LEU 30 -13.399 -0.872 -1.872 164 HB2 LEU 30 2HB LEU 30 -12.803 -3.211 -1.713 165 HB3 LEU 30 1HB LEU 30 -12.291 -2.616 -3.270 166 HG LEU 30 HG LEU 30 -10.418 -2.918 -0.962 167 HD11 LEU 30 1HD1 LEU 30 -9.780 -5.093 -1.974 168 HD12 LEU 30 2HD1 LEU 30 -11.047 -4.888 -3.177 169 HD13 LEU 30 3HD1 LEU 30 -11.473 -5.104 -1.484 170 HD21 LEU 30 3HD2 LEU 30 -8.751 -3.072 -2.786 171 HD22 LEU 30 1HD2 LEU 30 -9.610 -1.534 -2.694 172 HD23 LEU 30 2HD2 LEU 30 -10.053 -2.722 -3.926 173 HA PRO 31 HA PRO 31 -12.597 -0.001 2.370 174 HB2 PRO 31 2HB PRO 31 -14.083 -2.354 3.172 175 HB3 PRO 31 1HB PRO 31 -14.516 -0.652 3.352 176 HG2 PRO 31 2HG PRO 31 -15.880 -2.206 1.656 177 HG3 PRO 31 1HG PRO 31 -15.480 -0.532 1.229 178 HD2 PRO 31 2HD PRO 31 -14.063 -3.055 0.445 179 HD3 PRO 31 1HD PRO 31 -14.587 -1.730 -0.607 180 H VAL 32 H VAL 32 -11.315 -0.055 3.632 181 HA VAL 32 HA VAL 32 -10.072 -2.511 4.455 182 HB VAL 32 HB VAL 32 -8.579 -1.259 2.843 183 HG11 VAL 32 1HG1 VAL 32 -9.309 0.988 3.229 184 HG12 VAL 32 2HG1 VAL 32 -7.574 0.870 3.523 185 HG13 VAL 32 3HG1 VAL 32 -8.697 0.942 4.882 186 HG21 VAL 32 3HG2 VAL 32 -6.567 -1.257 4.228 187 HG22 VAL 32 1HG2 VAL 32 -7.599 -2.642 4.587 188 HG23 VAL 32 2HG2 VAL 32 -7.565 -1.261 5.686 189 H THR 33 H THR 33 -9.333 -2.176 6.536 190 HA THR 33 HA THR 33 -11.019 -0.762 8.314 191 HB THR 33 HB THR 33 -8.263 -1.848 8.944 192 HG1 THR 33 1HG THR 33 -10.745 -3.208 9.189 193 HG21 THR 33 3HG2 THR 33 -10.728 -1.468 10.665 194 HG22 THR 33 1HG2 THR 33 -9.269 -0.480 10.735 195 HG23 THR 33 2HG2 THR 33 -9.205 -2.181 11.200 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -11.668 2.595 5.344 2 HA2 GLY 1 2HA GLY 1 -10.726 3.479 7.737 3 HA3 GLY 1 1HA GLY 1 -9.432 2.521 6.990 4 H GLY 2 H GLY 2 -8.999 5.174 7.244 5 HA2 GLY 2 2HA GLY 2 -9.916 6.767 5.096 6 HA3 GLY 2 1HA GLY 2 -8.471 7.074 6.054 7 H GLY 3 H GLY 3 -7.128 4.706 5.496 8 HA2 GLY 3 2HA GLY 3 -6.944 4.129 2.765 9 HA3 GLY 3 1HA GLY 3 -5.684 5.271 3.247 10 H CYS 4 H CYS 4 -4.334 3.336 2.688 11 HA CYS 4 HA CYS 4 -4.328 1.501 4.957 12 HB2 CYS 4 2HB CYS 4 -2.951 1.046 2.258 13 HB3 CYS 4 1HB CYS 4 -3.066 -0.052 3.610 14 H GLY 5 H GLY 5 -2.900 1.739 6.464 15 HA2 GLY 5 2HA GLY 5 -0.906 3.805 6.175 16 HA3 GLY 5 1HA GLY 5 -1.360 2.971 7.649 17 H GLU 6 H GLU 6 -0.834 0.541 5.546 18 HA GLU 6 HA GLU 6 1.813 0.204 6.668 19 HB2 GLU 6 2HB GLU 6 1.767 -2.089 5.675 20 HB3 GLU 6 1HB GLU 6 0.495 -1.781 6.840 21 HG2 GLU 6 2HG GLU 6 -0.125 -1.329 3.989 22 HG3 GLU 6 1HG GLU 6 0.060 -2.995 4.519 23 H THR 7 H THR 7 3.499 -0.843 5.193 24 HA THR 7 HA THR 7 3.468 0.543 2.672 25 HB THR 7 HB THR 7 6.008 0.471 3.072 26 HG1 THR 7 1HG THR 7 5.214 0.496 5.776 27 HG21 THR 7 3HG2 THR 7 5.951 2.603 4.303 28 HG22 THR 7 1HG2 THR 7 4.282 2.274 4.774 29 HG23 THR 7 2HG2 THR 7 4.676 2.534 3.081 30 H CYS 8 H CYS 8 4.720 -0.588 1.006 31 HA CYS 8 HA CYS 8 4.664 -3.496 1.418 32 HB2 CYS 8 2HB CYS 8 4.157 -3.632 -0.983 33 HB3 CYS 8 1HB CYS 8 2.889 -2.956 0.023 34 H VAL 9 H VAL 9 6.778 -1.885 1.895 35 HA VAL 9 HA VAL 9 8.659 -1.563 -0.191 36 HB VAL 9 HB VAL 9 9.407 -2.285 2.644 37 HG11 VAL 9 1HG1 VAL 9 11.393 -0.901 2.223 38 HG12 VAL 9 2HG1 VAL 9 10.837 -0.631 0.573 39 HG13 VAL 9 3HG1 VAL 9 11.269 -2.256 1.100 40 HG21 VAL 9 3HG2 VAL 9 8.674 0.436 1.571 41 HG22 VAL 9 1HG2 VAL 9 9.373 0.127 3.161 42 HG23 VAL 9 2HG2 VAL 9 7.779 -0.506 2.765 43 H GLY 10 H GLY 10 7.806 -4.273 1.807 44 HA2 GLY 10 2HA GLY 10 9.887 -6.017 1.020 45 HA3 GLY 10 1HA GLY 10 8.389 -6.480 1.814 46 H GLY 11 H GLY 11 7.215 -4.909 -0.771 47 HA2 GLY 11 2HA GLY 11 7.712 -5.889 -3.117 48 HA3 GLY 11 1HA GLY 11 7.130 -7.356 -2.354 49 H THR 12 H THR 12 4.920 -6.568 -0.942 50 HA THR 12 HA THR 12 3.247 -4.980 -2.538 51 HB THR 12 HB THR 12 3.243 -7.052 -3.905 52 HG1 THR 12 1HG THR 12 0.929 -7.432 -3.761 53 HG21 THR 12 3HG2 THR 12 2.183 -9.107 -3.026 54 HG22 THR 12 1HG2 THR 12 2.100 -8.362 -1.432 55 HG23 THR 12 2HG2 THR 12 3.668 -8.721 -2.154 56 H CYS 13 H CYS 13 1.033 -5.440 -1.722 57 HA CYS 13 HA CYS 13 1.173 -5.189 1.216 58 HB2 CYS 13 2HB CYS 13 -1.120 -4.459 -0.611 59 HB3 CYS 13 1HB CYS 13 -0.919 -4.001 1.078 60 H ASN 14 H ASN 14 0.070 -6.573 2.532 61 HA ASN 14 HA ASN 14 -0.725 -9.054 1.400 62 HB2 ASN 14 2HB ASN 14 -0.750 -8.032 4.232 63 HB3 ASN 14 1HB ASN 14 -1.456 -9.586 3.808 64 HD21 ASN 14 1HD2 ASN 14 1.516 -7.780 4.150 65 HD22 ASN 14 2HD2 ASN 14 2.559 -9.153 3.988 66 H THR 15 H THR 15 -2.509 -6.446 2.977 67 HA THR 15 HA THR 15 -5.038 -7.674 2.646 68 HB THR 15 HB THR 15 -4.328 -4.750 3.008 69 HG1 THR 15 1HG THR 15 -4.108 -6.909 4.648 70 HG21 THR 15 3HG2 THR 15 -6.671 -5.136 2.328 71 HG22 THR 15 1HG2 THR 15 -6.576 -4.572 3.997 72 HG23 THR 15 2HG2 THR 15 -6.866 -6.280 3.655 73 HA PRO 16 HA PRO 16 -5.094 -6.955 -1.778 74 HB2 PRO 16 2HB PRO 16 -7.887 -7.877 -1.615 75 HB3 PRO 16 1HB PRO 16 -6.542 -8.580 -2.529 76 HG2 PRO 16 2HG PRO 16 -7.500 -9.785 -0.359 77 HG3 PRO 16 1HG PRO 16 -5.758 -9.757 -0.683 78 HD2 PRO 16 2HD PRO 16 -7.363 -8.049 1.191 79 HD3 PRO 16 1HD PRO 16 -5.821 -8.901 1.453 80 H GLY 17 H GLY 17 -6.894 -5.575 0.345 81 HA2 GLY 17 2HA GLY 17 -8.410 -3.734 -1.361 82 HA3 GLY 17 1HA GLY 17 -8.354 -3.638 0.397 83 H CYS 18 H CYS 18 -5.326 -3.934 -0.008 84 HA CYS 18 HA CYS 18 -4.801 -1.087 -0.450 85 HB2 CYS 18 2HB CYS 18 -3.176 -3.076 1.173 86 HB3 CYS 18 1HB CYS 18 -2.997 -1.336 1.064 87 H THR 19 H THR 19 -3.610 -0.606 -1.988 88 HA THR 19 HA THR 19 -2.560 -2.691 -3.743 89 HB THR 19 HB THR 19 -2.909 0.214 -4.270 90 HG1 THR 19 1HG THR 19 -4.790 -1.917 -4.253 91 HG21 THR 19 3HG2 THR 19 -2.923 -2.214 -6.069 92 HG22 THR 19 1HG2 THR 19 -1.634 -1.021 -5.927 93 HG23 THR 19 2HG2 THR 19 -3.190 -0.559 -6.618 94 H CYS 20 H CYS 20 -0.427 -2.441 -4.430 95 HA CYS 20 HA CYS 20 1.190 -0.981 -2.557 96 HB2 CYS 20 2HB CYS 20 1.687 -3.300 -2.988 97 HB3 CYS 20 1HB CYS 20 1.925 -2.924 -4.695 98 H SER 21 H SER 21 1.406 1.017 -3.050 99 HA SER 21 HA SER 21 2.254 1.727 -5.749 100 HB2 SER 21 2HB SER 21 0.219 2.962 -4.820 101 HB3 SER 21 1HB SER 21 1.223 3.510 -3.486 102 HG SER 21 HG SER 21 2.209 4.030 -6.023 103 H TRP 22 H TRP 22 4.108 0.489 -4.950 104 HA TRP 22 HA TRP 22 5.436 0.614 -2.746 105 HB2 TRP 22 2HB TRP 22 5.848 -0.862 -4.658 106 HB3 TRP 22 1HB TRP 22 6.770 0.423 -5.449 107 HD1 TRP 22 HD TRP 22 6.996 -2.269 -2.800 108 HE1 TRP 22 1HE TRP 22 9.419 -2.443 -1.917 109 HE3 TRP 22 3HE TRP 22 8.960 1.873 -5.014 110 HZ2 TRP 22 2HZ TRP 22 11.827 -0.996 -2.125 111 HZ3 TRP 22 3HZ TRP 22 11.326 2.411 -4.637 112 HH2 TRP 22 HH TRP 22 12.730 1.000 -3.213 113 HA PRO 23 HA PRO 23 7.005 0.573 -1.749 114 HB2 PRO 23 2HB PRO 23 8.032 2.094 0.453 115 HB3 PRO 23 1HB PRO 23 8.904 0.990 -0.619 116 HG2 PRO 23 2HG PRO 23 9.331 3.687 -0.568 117 HG3 PRO 23 1HG PRO 23 9.574 2.674 -1.999 118 HD2 PRO 23 2HD PRO 23 7.169 4.346 -1.300 119 HD3 PRO 23 1HD PRO 23 8.065 4.260 -2.840 120 H VAL 24 H VAL 24 4.634 2.857 -1.494 121 HA VAL 24 HA VAL 24 3.946 2.010 1.199 122 HB VAL 24 HB VAL 24 2.558 3.976 1.444 123 HG11 VAL 24 1HG1 VAL 24 4.860 4.236 2.134 124 HG12 VAL 24 2HG1 VAL 24 4.297 5.739 1.411 125 HG13 VAL 24 3HG1 VAL 24 5.328 4.650 0.487 126 HG21 VAL 24 3HG2 VAL 24 2.543 5.787 -0.233 127 HG22 VAL 24 1HG2 VAL 24 1.814 4.297 -0.841 128 HG23 VAL 24 2HG2 VAL 24 3.449 4.741 -1.330 129 H CYS 25 H CYS 25 1.724 1.235 1.715 130 HA CYS 25 HA CYS 25 0.363 0.314 -0.570 131 HB2 CYS 25 2HB CYS 25 -0.203 0.088 2.370 132 HB3 CYS 25 1HB CYS 25 -1.077 -0.626 1.067 133 H THR 26 H THR 26 -1.549 1.005 -1.155 134 HA THR 26 HA THR 26 -2.739 3.250 0.250 135 HB THR 26 HB THR 26 -3.261 4.017 -2.141 136 HG1 THR 26 1HG THR 26 -0.798 2.669 -2.560 137 HG21 THR 26 3HG2 THR 26 -1.102 5.327 -2.189 138 HG22 THR 26 1HG2 THR 26 -0.541 4.286 -0.875 139 HG23 THR 26 2HG2 THR 26 -1.934 5.331 -0.625 140 H ARG 27 H ARG 27 -5.021 3.595 -1.157 141 HA ARG 27 HA ARG 27 -5.972 0.927 -1.700 142 HB2 ARG 27 2HB ARG 27 -6.779 1.658 0.496 143 HB3 ARG 27 1HB ARG 27 -7.521 3.070 -0.273 144 HG2 ARG 27 2HG ARG 27 -9.157 1.766 -1.329 145 HG3 ARG 27 1HG ARG 27 -8.243 0.280 -1.082 146 HD2 ARG 27 2HD ARG 27 -9.506 1.913 1.122 147 HD3 ARG 27 1HD ARG 27 -10.194 0.443 0.427 148 HE ARG 27 HE ARG 27 -7.520 0.384 1.619 149 HH11 ARG 27 1HH1 ARG 27 -10.938 -0.631 1.858 150 HH12 ARG 27 2HH1 ARG 27 -10.598 -1.934 2.894 151 HH21 ARG 27 1HH2 ARG 27 -7.104 -1.371 3.105 152 HH22 ARG 27 2HH2 ARG 27 -8.399 -2.326 3.660 153 H ASN 28 H ASN 28 -6.636 0.744 -3.479 154 HA ASN 28 HA ASN 28 -6.502 2.781 -5.480 155 HB2 ASN 28 2HB ASN 28 -7.065 1.027 -7.115 156 HB3 ASN 28 1HB ASN 28 -5.782 0.540 -6.019 157 HD21 ASN 28 1HD2 ASN 28 -6.124 -1.612 -6.383 158 HD22 ASN 28 2HD2 ASN 28 -7.482 -2.488 -5.790 159 H GLY 29 H GLY 29 -8.967 2.577 -3.489 160 HA2 GLY 29 2HA GLY 29 -10.911 3.950 -4.070 161 HA3 GLY 29 1HA GLY 29 -10.927 3.126 -5.624 162 H LEU 30 H LEU 30 -10.123 0.765 -3.673 163 HA LEU 30 HA LEU 30 -12.633 -0.461 -3.544 164 HB2 LEU 30 2HB LEU 30 -9.977 -1.054 -2.299 165 HB3 LEU 30 1HB LEU 30 -11.365 -1.983 -1.785 166 HG LEU 30 HG LEU 30 -10.477 -1.731 -4.633 167 HD11 LEU 30 1HD1 LEU 30 -9.999 -3.984 -2.672 168 HD12 LEU 30 2HD1 LEU 30 -8.759 -2.896 -3.310 169 HD13 LEU 30 3HD1 LEU 30 -9.585 -4.023 -4.384 170 HD21 LEU 30 3HD2 LEU 30 -11.890 -3.723 -4.976 171 HD22 LEU 30 1HD2 LEU 30 -12.806 -2.310 -4.454 172 HD23 LEU 30 2HD2 LEU 30 -12.427 -3.593 -3.306 173 HA PRO 31 HA PRO 31 -15.158 0.737 -0.239 174 HB2 PRO 31 2HB PRO 31 -14.320 -1.784 1.138 175 HB3 PRO 31 1HB PRO 31 -15.932 -1.061 1.027 176 HG2 PRO 31 2HG PRO 31 -15.289 -3.030 -0.600 177 HG3 PRO 31 1HG PRO 31 -16.171 -1.624 -1.223 178 HD2 PRO 31 2HD PRO 31 -13.320 -2.385 -1.606 179 HD3 PRO 31 1HD PRO 31 -14.351 -1.489 -2.704 180 H VAL 32 H VAL 32 -15.076 2.000 1.418 181 HA VAL 32 HA VAL 32 -12.529 2.456 2.604 182 HB VAL 32 HB VAL 32 -13.586 4.365 1.890 183 HG11 VAL 32 1HG1 VAL 32 -15.977 3.661 3.617 184 HG12 VAL 32 2HG1 VAL 32 -15.930 3.702 1.853 185 HG13 VAL 32 3HG1 VAL 32 -15.791 5.197 2.772 186 HG21 VAL 32 3HG2 VAL 32 -13.779 5.783 3.931 187 HG22 VAL 32 1HG2 VAL 32 -12.361 4.730 3.914 188 HG23 VAL 32 2HG2 VAL 32 -13.766 4.304 4.891 189 H THR 33 H THR 33 -12.045 1.129 3.905 190 HA THR 33 HA THR 33 -13.735 0.484 6.249 191 HB THR 33 HB THR 33 -11.361 -1.101 5.156 192 HG1 THR 33 1HG THR 33 -14.145 -1.327 4.702 193 HG21 THR 33 3HG2 THR 33 -13.632 -1.898 7.006 194 HG22 THR 33 1HG2 THR 33 -11.971 -1.593 7.511 195 HG23 THR 33 2HG2 THR 33 -12.335 -2.959 6.454 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.359 6.519 3.758 2 HA2 GLY 1 2HA GLY 1 -13.789 5.766 4.791 3 HA3 GLY 1 1HA GLY 1 -13.702 5.023 3.195 4 H GLY 2 H GLY 2 -11.332 4.116 2.790 5 HA2 GLY 2 2HA GLY 2 -10.341 2.842 5.180 6 HA3 GLY 2 1HA GLY 2 -10.848 1.840 3.816 7 H GLY 3 H GLY 3 -8.969 1.123 3.120 8 HA2 GLY 3 2HA GLY 3 -7.211 1.526 1.520 9 HA3 GLY 3 1HA GLY 3 -7.006 3.132 2.229 10 H CYS 4 H CYS 4 -4.773 2.719 2.611 11 HA CYS 4 HA CYS 4 -4.322 1.177 5.005 12 HB2 CYS 4 2HB CYS 4 -3.360 0.376 2.343 13 HB3 CYS 4 1HB CYS 4 -2.242 0.191 3.691 14 H GLY 5 H GLY 5 -2.805 1.989 6.238 15 HA2 GLY 5 2HA GLY 5 -0.915 3.954 5.139 16 HA3 GLY 5 1HA GLY 5 -1.287 3.713 6.854 17 H GLU 6 H GLU 6 -1.084 1.009 4.953 18 HA GLU 6 HA GLU 6 1.128 -0.137 6.401 19 HB2 GLU 6 2HB GLU 6 -0.545 -1.228 4.129 20 HB3 GLU 6 1HB GLU 6 0.602 -2.152 5.081 21 HG2 GLU 6 2HG GLU 6 -1.911 -0.853 6.104 22 HG3 GLU 6 1HG GLU 6 -1.675 -2.573 5.795 23 H THR 7 H THR 7 2.824 -1.382 5.005 24 HA THR 7 HA THR 7 3.466 0.250 2.726 25 HB THR 7 HB THR 7 5.786 -0.363 3.316 26 HG1 THR 7 1HG THR 7 4.901 -0.513 5.987 27 HG21 THR 7 3HG2 THR 7 6.009 1.494 4.984 28 HG22 THR 7 1HG2 THR 7 4.251 1.514 5.092 29 HG23 THR 7 2HG2 THR 7 5.049 1.895 3.560 30 H CYS 8 H CYS 8 4.712 -0.861 1.087 31 HA CYS 8 HA CYS 8 4.378 -3.771 1.098 32 HB2 CYS 8 2HB CYS 8 3.943 -3.590 -1.298 33 HB3 CYS 8 1HB CYS 8 2.681 -2.926 -0.280 34 H VAL 9 H VAL 9 6.524 -2.400 1.883 35 HA VAL 9 HA VAL 9 8.506 -1.750 -0.026 36 HB VAL 9 HB VAL 9 9.177 -2.925 2.670 37 HG11 VAL 9 1HG1 VAL 9 10.570 -0.860 0.986 38 HG12 VAL 9 2HG1 VAL 9 11.057 -2.538 1.208 39 HG13 VAL 9 3HG1 VAL 9 11.103 -1.421 2.571 40 HG21 VAL 9 3HG2 VAL 9 9.045 -0.627 3.597 41 HG22 VAL 9 1HG2 VAL 9 7.486 -1.284 3.101 42 HG23 VAL 9 2HG2 VAL 9 8.306 -0.099 2.084 43 H GLY 10 H GLY 10 7.514 -4.786 1.315 44 HA2 GLY 10 2HA GLY 10 9.731 -6.326 0.401 45 HA3 GLY 10 1HA GLY 10 8.190 -6.945 0.978 46 H GLY 11 H GLY 11 6.848 -5.133 -1.128 47 HA2 GLY 11 2HA GLY 11 7.410 -5.490 -3.658 48 HA3 GLY 11 1HA GLY 11 7.030 -7.146 -3.220 49 H THR 12 H THR 12 4.831 -6.438 -1.372 50 HA THR 12 HA THR 12 2.986 -4.966 -2.843 51 HB THR 12 HB THR 12 2.847 -6.979 -4.209 52 HG1 THR 12 1HG THR 12 0.843 -6.522 -4.277 53 HG21 THR 12 3HG2 THR 12 2.147 -9.152 -3.270 54 HG22 THR 12 1HG2 THR 12 2.245 -8.465 -1.648 55 HG23 THR 12 2HG2 THR 12 3.705 -8.636 -2.622 56 H CYS 13 H CYS 13 0.841 -5.504 -1.776 57 HA CYS 13 HA CYS 13 1.356 -4.989 1.061 58 HB2 CYS 13 2HB CYS 13 -1.219 -4.707 -0.480 59 HB3 CYS 13 1HB CYS 13 -0.909 -4.192 1.179 60 H ASN 14 H ASN 14 0.319 -6.122 2.719 61 HA ASN 14 HA ASN 14 -0.445 -8.836 2.014 62 HB2 ASN 14 2HB ASN 14 -0.046 -7.543 4.722 63 HB3 ASN 14 1HB ASN 14 -0.425 -9.238 4.462 64 HD21 ASN 14 1HD2 ASN 14 1.331 -9.355 2.069 65 HD22 ASN 14 2HD2 ASN 14 2.925 -9.415 2.729 66 H THR 15 H THR 15 -1.897 -5.915 2.586 67 HA THR 15 HA THR 15 -4.437 -7.129 3.364 68 HB THR 15 HB THR 15 -3.792 -4.174 3.048 69 HG1 THR 15 1HG THR 15 -2.366 -5.054 4.563 70 HG21 THR 15 3HG2 THR 15 -6.165 -4.786 3.192 71 HG22 THR 15 1HG2 THR 15 -5.650 -3.911 4.633 72 HG23 THR 15 2HG2 THR 15 -5.853 -5.664 4.690 73 HA PRO 16 HA PRO 16 -5.116 -7.159 -1.027 74 HB2 PRO 16 2HB PRO 16 -7.480 -8.366 -1.160 75 HB3 PRO 16 1HB PRO 16 -6.033 -9.183 -0.537 76 HG2 PRO 16 2HG PRO 16 -8.262 -7.900 1.000 77 HG3 PRO 16 1HG PRO 16 -7.490 -9.477 1.254 78 HD2 PRO 16 2HD PRO 16 -6.840 -7.204 2.661 79 HD3 PRO 16 1HD PRO 16 -5.725 -8.559 2.396 80 H GLY 17 H GLY 17 -6.663 -5.231 0.806 81 HA2 GLY 17 2HA GLY 17 -8.359 -4.023 -1.346 82 HA3 GLY 17 1HA GLY 17 -8.530 -3.603 0.357 83 H CYS 18 H CYS 18 -5.392 -3.881 -0.272 84 HA CYS 18 HA CYS 18 -5.041 -1.006 -0.633 85 HB2 CYS 18 2HB CYS 18 -3.460 -2.949 1.030 86 HB3 CYS 18 1HB CYS 18 -3.248 -1.195 0.942 87 H THR 19 H THR 19 -3.607 -0.439 -2.152 88 HA THR 19 HA THR 19 -2.296 -2.690 -3.464 89 HB THR 19 HB THR 19 -3.975 -1.542 -4.807 90 HG1 THR 19 1HG THR 19 -2.757 -2.360 -6.295 91 HG21 THR 19 3HG2 THR 19 -2.037 0.755 -4.815 92 HG22 THR 19 1HG2 THR 19 -3.676 0.756 -4.167 93 HG23 THR 19 2HG2 THR 19 -3.416 0.610 -5.906 94 H CYS 20 H CYS 20 -0.365 -2.040 -4.615 95 HA CYS 20 HA CYS 20 1.266 -0.806 -2.598 96 HB2 CYS 20 2HB CYS 20 1.647 -3.048 -3.393 97 HB3 CYS 20 1HB CYS 20 1.931 -2.404 -4.998 98 H SER 21 H SER 21 1.961 1.137 -2.827 99 HA SER 21 HA SER 21 2.612 2.207 -5.420 100 HB2 SER 21 2HB SER 21 1.498 3.552 -2.944 101 HB3 SER 21 1HB SER 21 1.924 4.345 -4.459 102 HG SER 21 HG SER 21 0.387 2.468 -5.191 103 H TRP 22 H TRP 22 4.418 0.750 -4.491 104 HA TRP 22 HA TRP 22 5.725 0.709 -2.316 105 HB2 TRP 22 2HB TRP 22 6.243 -0.521 -4.367 106 HB3 TRP 22 1HB TRP 22 7.172 0.863 -4.960 107 HD1 TRP 22 HD TRP 22 7.364 -2.157 -2.725 108 HE1 TRP 22 1HE TRP 22 9.719 -2.391 -1.703 109 HE3 TRP 22 3HE TRP 22 9.301 2.353 -4.114 110 HZ2 TRP 22 2HZ TRP 22 12.072 -0.849 -1.498 111 HZ3 TRP 22 3HZ TRP 22 11.609 2.897 -3.459 112 HH2 TRP 22 HH TRP 22 12.958 1.318 -2.176 113 HA PRO 23 HA PRO 23 7.181 0.584 -1.182 114 HB2 PRO 23 2HB PRO 23 7.984 1.924 1.230 115 HB3 PRO 23 1HB PRO 23 8.956 0.899 0.168 116 HG2 PRO 23 2HG PRO 23 9.406 3.576 0.452 117 HG3 PRO 23 1HG PRO 23 9.750 2.657 -1.025 118 HD2 PRO 23 2HD PRO 23 7.312 4.324 -0.422 119 HD3 PRO 23 1HD PRO 23 8.345 4.335 -1.875 120 H VAL 24 H VAL 24 4.896 2.967 -0.884 121 HA VAL 24 HA VAL 24 3.894 1.830 1.586 122 HB VAL 24 HB VAL 24 2.441 3.842 1.803 123 HG11 VAL 24 1HG1 VAL 24 5.410 4.323 1.651 124 HG12 VAL 24 2HG1 VAL 24 4.495 3.769 3.059 125 HG13 VAL 24 3HG1 VAL 24 4.264 5.400 2.440 126 HG21 VAL 24 3HG2 VAL 24 2.336 4.531 -0.521 127 HG22 VAL 24 1HG2 VAL 24 4.069 4.863 -0.521 128 HG23 VAL 24 2HG2 VAL 24 2.986 5.839 0.470 129 H CYS 25 H CYS 25 1.587 1.285 1.806 130 HA CYS 25 HA CYS 25 0.450 0.498 -0.660 131 HB2 CYS 25 2HB CYS 25 -0.405 0.170 2.209 132 HB3 CYS 25 1HB CYS 25 -1.226 -0.414 0.805 133 H THR 26 H THR 26 -1.474 1.180 -1.361 134 HA THR 26 HA THR 26 -2.887 3.421 -0.071 135 HB THR 26 HB THR 26 -3.533 3.977 -2.408 136 HG1 THR 26 1HG THR 26 -1.237 2.903 -3.492 137 HG21 THR 26 3HG2 THR 26 -1.912 5.365 -1.231 138 HG22 THR 26 1HG2 THR 26 -1.461 5.242 -2.932 139 HG23 THR 26 2HG2 THR 26 -0.605 4.287 -1.718 140 H ARG 27 H ARG 27 -4.817 2.967 -2.358 141 HA ARG 27 HA ARG 27 -6.079 0.722 -1.226 142 HB2 ARG 27 2HB ARG 27 -8.138 2.005 -1.616 143 HB3 ARG 27 1HB ARG 27 -7.166 2.646 -0.282 144 HG2 ARG 27 2HG ARG 27 -6.348 4.399 -1.804 145 HG3 ARG 27 1HG ARG 27 -7.343 3.731 -3.096 146 HD2 ARG 27 2HD ARG 27 -8.414 5.662 -2.097 147 HD3 ARG 27 1HD ARG 27 -9.347 4.207 -1.787 148 HE ARG 27 HE ARG 27 -8.405 4.214 0.468 149 HH11 ARG 27 1HH1 ARG 27 -8.274 7.252 -1.356 150 HH12 ARG 27 2HH1 ARG 27 -8.273 8.226 0.036 151 HH21 ARG 27 1HH2 ARG 27 -8.463 5.569 2.356 152 HH22 ARG 27 2HH2 ARG 27 -8.416 7.250 2.203 153 H ASN 28 H ASN 28 -7.293 -0.285 -2.804 154 HA ASN 28 HA ASN 28 -6.257 0.101 -5.478 155 HB2 ASN 28 2HB ASN 28 -7.474 -2.023 -6.094 156 HB3 ASN 28 1HB ASN 28 -6.248 -2.167 -4.845 157 HD21 ASN 28 1HD2 ASN 28 -7.148 -4.047 -4.115 158 HD22 ASN 28 2HD2 ASN 28 -8.607 -4.101 -3.208 159 H GLY 29 H GLY 29 -7.319 2.182 -5.652 160 HA2 GLY 29 2HA GLY 29 -8.819 3.509 -6.791 161 HA3 GLY 29 1HA GLY 29 -9.450 2.038 -7.510 162 H LEU 30 H LEU 30 -9.400 2.311 -4.129 163 HA LEU 30 HA LEU 30 -12.245 2.113 -4.001 164 HB2 LEU 30 2HB LEU 30 -10.098 2.192 -1.908 165 HB3 LEU 30 1HB LEU 30 -11.786 2.272 -1.464 166 HG LEU 30 HG LEU 30 -10.691 0.075 -3.139 167 HD11 LEU 30 1HD1 LEU 30 -10.602 -1.270 -1.026 168 HD12 LEU 30 2HD1 LEU 30 -11.012 0.184 -0.113 169 HD13 LEU 30 3HD1 LEU 30 -9.477 0.086 -0.975 170 HD21 LEU 30 3HD2 LEU 30 -12.667 -1.135 -2.304 171 HD22 LEU 30 1HD2 LEU 30 -13.089 0.324 -3.199 172 HD23 LEU 30 2HD2 LEU 30 -13.162 0.317 -1.438 173 HA PRO 31 HA PRO 31 -13.647 6.267 -3.558 174 HB2 PRO 31 2HB PRO 31 -14.780 5.401 -0.945 175 HB3 PRO 31 1HB PRO 31 -15.574 6.230 -2.289 176 HG2 PRO 31 2HG PRO 31 -16.014 3.654 -1.886 177 HG3 PRO 31 1HG PRO 31 -15.808 4.285 -3.529 178 HD2 PRO 31 2HD PRO 31 -13.861 2.706 -1.869 179 HD3 PRO 31 1HD PRO 31 -14.122 2.658 -3.598 180 H VAL 32 H VAL 32 -12.894 8.047 -2.882 181 HA VAL 32 HA VAL 32 -10.649 8.111 -1.201 182 HB VAL 32 HB VAL 32 -12.373 10.429 -2.041 183 HG11 VAL 32 1HG1 VAL 32 -10.318 11.770 -1.795 184 HG12 VAL 32 2HG1 VAL 32 -9.482 10.334 -1.208 185 HG13 VAL 32 3HG1 VAL 32 -10.818 11.016 -0.280 186 HG21 VAL 32 3HG2 VAL 32 -11.700 9.206 -4.024 187 HG22 VAL 32 1HG2 VAL 32 -10.022 9.210 -3.486 188 HG23 VAL 32 2HG2 VAL 32 -10.806 10.723 -3.935 189 H THR 33 H THR 33 -10.627 8.084 0.765 190 HA THR 33 HA THR 33 -10.930 8.447 2.976 191 HB THR 33 HB THR 33 -13.310 10.184 2.245 192 HG1 THR 33 1HG THR 33 -10.663 10.495 1.914 193 HG21 THR 33 3HG2 THR 33 -13.248 9.479 4.623 194 HG22 THR 33 1HG2 THR 33 -12.935 11.207 4.450 195 HG23 THR 33 2HG2 THR 33 -11.600 10.095 4.748 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -12.136 -0.693 2.917 2 HA2 GLY 1 2HA GLY 1 -12.025 -0.996 5.506 3 HA3 GLY 1 1HA GLY 1 -10.310 -1.128 5.052 4 H GLY 2 H GLY 2 -10.514 1.048 6.352 5 HA2 GLY 2 2HA GLY 2 -11.533 3.262 4.844 6 HA3 GLY 2 1HA GLY 2 -10.479 3.367 6.253 7 H GLY 3 H GLY 3 -8.288 2.129 5.621 8 HA2 GLY 3 2HA GLY 3 -7.299 2.531 3.024 9 HA3 GLY 3 1HA GLY 3 -6.812 3.840 4.103 10 H CYS 4 H CYS 4 -4.725 2.733 3.436 11 HA CYS 4 HA CYS 4 -4.118 0.793 5.517 12 HB2 CYS 4 2HB CYS 4 -3.268 0.740 2.639 13 HB3 CYS 4 1HB CYS 4 -2.340 -0.086 3.879 14 H GLY 5 H GLY 5 -2.382 1.151 6.682 15 HA2 GLY 5 2HA GLY 5 -0.735 3.473 5.981 16 HA3 GLY 5 1HA GLY 5 -0.951 2.827 7.611 17 H GLU 6 H GLU 6 -0.845 0.175 5.885 18 HA GLU 6 HA GLU 6 1.789 -0.498 6.634 19 HB2 GLU 6 2HB GLU 6 1.325 -2.646 5.497 20 HB3 GLU 6 1HB GLU 6 0.075 -2.197 6.644 21 HG2 GLU 6 2HG GLU 6 -1.388 -1.539 4.850 22 HG3 GLU 6 1HG GLU 6 -0.115 -1.824 3.658 23 H THR 7 H THR 7 3.557 -1.115 5.257 24 HA THR 7 HA THR 7 3.599 0.455 2.855 25 HB THR 7 HB THR 7 6.041 0.201 3.131 26 HG1 THR 7 1HG THR 7 6.542 -0.369 5.491 27 HG21 THR 7 3HG2 THR 7 4.899 2.205 3.935 28 HG22 THR 7 1HG2 THR 7 6.235 1.796 5.011 29 HG23 THR 7 2HG2 THR 7 4.577 1.417 5.476 30 H CYS 8 H CYS 8 4.941 -0.549 1.063 31 HA CYS 8 HA CYS 8 4.660 -3.445 1.041 32 HB2 CYS 8 2HB CYS 8 3.933 -3.300 -1.256 33 HB3 CYS 8 1HB CYS 8 2.870 -2.421 -0.151 34 H VAL 9 H VAL 9 6.876 -2.194 1.753 35 HA VAL 9 HA VAL 9 8.682 -1.410 -0.271 36 HB VAL 9 HB VAL 9 9.410 -2.659 2.399 37 HG11 VAL 9 1HG1 VAL 9 11.057 -0.937 0.553 38 HG12 VAL 9 2HG1 VAL 9 11.301 -2.654 0.869 39 HG13 VAL 9 3HG1 VAL 9 11.543 -1.475 2.159 40 HG21 VAL 9 3HG2 VAL 9 9.051 0.238 1.645 41 HG22 VAL 9 1HG2 VAL 9 9.643 -0.350 3.198 42 HG23 VAL 9 2HG2 VAL 9 7.991 -0.705 2.692 43 H GLY 10 H GLY 10 7.835 -4.583 0.939 44 HA2 GLY 10 2HA GLY 10 9.882 -5.901 -0.658 45 HA3 GLY 10 1HA GLY 10 8.730 -6.670 0.424 46 H GLY 11 H GLY 11 6.938 -4.589 -1.298 47 HA2 GLY 11 2HA GLY 11 5.840 -4.640 -3.340 48 HA3 GLY 11 1HA GLY 11 6.709 -6.109 -3.750 49 H THR 12 H THR 12 4.889 -5.811 -0.708 50 HA THR 12 HA THR 12 2.644 -7.226 -1.832 51 HB THR 12 HB THR 12 4.078 -8.273 0.598 52 HG1 THR 12 1HG THR 12 4.719 -8.574 -2.050 53 HG21 THR 12 3HG2 THR 12 2.799 -10.337 0.139 54 HG22 THR 12 1HG2 THR 12 2.089 -9.567 -1.281 55 HG23 THR 12 2HG2 THR 12 1.735 -8.943 0.330 56 H CYS 13 H CYS 13 0.951 -7.123 -0.377 57 HA CYS 13 HA CYS 13 1.192 -5.416 1.992 58 HB2 CYS 13 2HB CYS 13 -1.085 -5.210 -0.017 59 HB3 CYS 13 1HB CYS 13 -0.916 -4.280 1.458 60 H ASN 14 H ASN 14 -0.521 -5.842 3.530 61 HA ASN 14 HA ASN 14 -1.246 -8.651 3.562 62 HB2 ASN 14 2HB ASN 14 -1.786 -6.476 5.601 63 HB3 ASN 14 1HB ASN 14 -2.052 -8.202 5.839 64 HD21 ASN 14 1HD2 ASN 14 0.303 -5.692 5.513 65 HD22 ASN 14 2HD2 ASN 14 1.642 -6.592 6.114 66 H THR 15 H THR 15 -2.792 -5.519 3.462 67 HA THR 15 HA THR 15 -5.414 -6.672 3.153 68 HB THR 15 HB THR 15 -4.512 -3.820 2.675 69 HG1 THR 15 1HG THR 15 -3.914 -4.091 4.683 70 HG21 THR 15 3HG2 THR 15 -6.843 -3.285 3.284 71 HG22 THR 15 1HG2 THR 15 -7.177 -5.005 3.492 72 HG23 THR 15 2HG2 THR 15 -6.783 -4.370 1.895 73 HA PRO 16 HA PRO 16 -4.377 -7.146 -1.203 74 HB2 PRO 16 2HB PRO 16 -6.569 -8.512 -2.028 75 HB3 PRO 16 1HB PRO 16 -5.289 -9.271 -1.076 76 HG2 PRO 16 2HG PRO 16 -7.945 -8.230 -0.180 77 HG3 PRO 16 1HG PRO 16 -7.089 -9.694 0.329 78 HD2 PRO 16 2HD PRO 16 -7.136 -7.355 1.781 79 HD3 PRO 16 1HD PRO 16 -5.840 -8.561 1.886 80 H GLY 17 H GLY 17 -6.655 -5.496 0.055 81 HA2 GLY 17 2HA GLY 17 -7.813 -4.344 -2.390 82 HA3 GLY 17 1HA GLY 17 -8.315 -3.916 -0.755 83 H CYS 18 H CYS 18 -5.153 -3.920 -0.485 84 HA CYS 18 HA CYS 18 -4.886 -1.131 -1.269 85 HB2 CYS 18 2HB CYS 18 -3.551 -2.693 0.948 86 HB3 CYS 18 1HB CYS 18 -3.084 -1.064 0.444 87 H THR 19 H THR 19 -3.605 -0.577 -2.581 88 HA THR 19 HA THR 19 -2.258 -2.510 -4.266 89 HB THR 19 HB THR 19 -2.714 0.401 -4.600 90 HG1 THR 19 1HG THR 19 -4.448 -1.766 -4.568 91 HG21 THR 19 3HG2 THR 19 -2.506 -1.893 -6.569 92 HG22 THR 19 1HG2 THR 19 -1.300 -0.643 -6.279 93 HG23 THR 19 2HG2 THR 19 -2.846 -0.221 -7.021 94 H CYS 20 H CYS 20 -0.080 -2.099 -4.848 95 HA CYS 20 HA CYS 20 1.365 -0.691 -2.791 96 HB2 CYS 20 2HB CYS 20 2.000 -2.955 -3.266 97 HB3 CYS 20 1HB CYS 20 2.269 -2.516 -4.957 98 H SER 21 H SER 21 1.472 1.363 -3.223 99 HA SER 21 HA SER 21 2.562 2.160 -5.770 100 HB2 SER 21 2HB SER 21 1.187 3.751 -3.577 101 HB3 SER 21 1HB SER 21 1.709 4.367 -5.150 102 HG SER 21 HG SER 21 0.304 2.332 -5.741 103 H TRP 22 H TRP 22 4.539 1.322 -5.165 104 HA TRP 22 HA TRP 22 5.583 1.071 -2.791 105 HB2 TRP 22 2HB TRP 22 6.297 0.018 -4.860 106 HB3 TRP 22 1HB TRP 22 7.170 1.491 -5.316 107 HD1 TRP 22 HD TRP 22 7.358 -1.594 -3.147 108 HE1 TRP 22 1HE TRP 22 9.696 -1.777 -2.062 109 HE3 TRP 22 3HE TRP 22 9.177 2.969 -4.433 110 HZ2 TRP 22 2HZ TRP 22 11.990 -0.163 -1.778 111 HZ3 TRP 22 3HZ TRP 22 11.433 3.585 -3.717 112 HH2 TRP 22 HH TRP 22 12.814 2.050 -2.425 113 HA PRO 23 HA PRO 23 7.024 0.948 -1.652 114 HB2 PRO 23 2HB PRO 23 7.890 1.973 0.846 115 HB3 PRO 23 1HB PRO 23 8.882 1.291 -0.445 116 HG2 PRO 23 2HG PRO 23 8.950 3.942 0.344 117 HG3 PRO 23 1HG PRO 23 9.464 3.313 -1.237 118 HD2 PRO 23 2HD PRO 23 6.832 4.564 -0.495 119 HD3 PRO 23 1HD PRO 23 7.856 4.857 -1.925 120 H VAL 24 H VAL 24 4.467 2.824 -1.293 121 HA VAL 24 HA VAL 24 3.768 1.677 1.266 122 HB VAL 24 HB VAL 24 2.310 3.569 1.724 123 HG11 VAL 24 1HG1 VAL 24 4.078 5.269 2.111 124 HG12 VAL 24 2HG1 VAL 24 5.170 4.302 1.117 125 HG13 VAL 24 3HG1 VAL 24 4.541 3.651 2.628 126 HG21 VAL 24 3HG2 VAL 24 1.750 4.303 -0.495 127 HG22 VAL 24 1HG2 VAL 24 3.434 4.722 -0.812 128 HG23 VAL 24 2HG2 VAL 24 2.511 5.635 0.379 129 H CYS 25 H CYS 25 1.599 0.734 1.594 130 HA CYS 25 HA CYS 25 0.239 0.132 -0.806 131 HB2 CYS 25 2HB CYS 25 -0.517 -0.461 2.024 132 HB3 CYS 25 1HB CYS 25 -1.062 -1.187 0.556 133 H THR 26 H THR 26 -1.498 1.118 -1.434 134 HA THR 26 HA THR 26 -3.074 2.796 0.378 135 HB THR 26 HB THR 26 -3.366 4.252 -1.738 136 HG1 THR 26 1HG THR 26 -0.804 3.082 -2.138 137 HG21 THR 26 3HG2 THR 26 -1.557 5.785 -0.961 138 HG22 THR 26 1HG2 THR 26 -0.912 4.472 0.024 139 HG23 THR 26 2HG2 THR 26 -2.511 5.134 0.369 140 H ARG 27 H ARG 27 -5.074 3.617 -1.414 141 HA ARG 27 HA ARG 27 -6.038 1.115 -2.407 142 HB2 ARG 27 2HB ARG 27 -7.360 3.496 -1.140 143 HB3 ARG 27 1HB ARG 27 -8.244 2.359 -2.132 144 HG2 ARG 27 2HG ARG 27 -7.740 0.571 -0.557 145 HG3 ARG 27 1HG ARG 27 -6.740 1.671 0.395 146 HD2 ARG 27 2HD ARG 27 -8.998 1.348 1.359 147 HD3 ARG 27 1HD ARG 27 -8.668 3.025 0.938 148 HE ARG 27 HE ARG 27 -10.047 1.502 -1.094 149 HH11 ARG 27 1HH1 ARG 27 -10.481 3.543 1.792 150 HH12 ARG 27 2HH1 ARG 27 -11.989 4.129 1.328 151 HH21 ARG 27 1HH2 ARG 27 -12.196 2.342 -1.749 152 HH22 ARG 27 2HH2 ARG 27 -12.968 3.455 -0.715 153 H ASN 28 H ASN 28 -6.365 1.146 -4.410 154 HA ASN 28 HA ASN 28 -5.592 3.381 -6.061 155 HB2 ASN 28 2HB ASN 28 -5.885 1.912 -7.995 156 HB3 ASN 28 1HB ASN 28 -4.987 1.089 -6.728 157 HD21 ASN 28 1HD2 ASN 28 -5.838 -0.744 -5.830 158 HD22 ASN 28 2HD2 ASN 28 -7.292 -1.485 -6.413 159 H GLY 29 H GLY 29 -8.198 3.589 -4.515 160 HA2 GLY 29 2HA GLY 29 -10.189 4.707 -4.966 161 HA3 GLY 29 1HA GLY 29 -9.741 4.699 -6.667 162 H LEU 30 H LEU 30 -9.881 1.884 -4.714 163 HA LEU 30 HA LEU 30 -12.031 0.820 -6.396 164 HB2 LEU 30 2HB LEU 30 -11.214 -1.368 -5.922 165 HB3 LEU 30 1HB LEU 30 -9.796 -0.399 -6.214 166 HG LEU 30 HG LEU 30 -10.805 -1.150 -3.493 167 HD11 LEU 30 1HD1 LEU 30 -8.598 -2.382 -5.147 168 HD12 LEU 30 2HD1 LEU 30 -10.129 -3.142 -4.709 169 HD13 LEU 30 3HD1 LEU 30 -8.939 -2.771 -3.462 170 HD21 LEU 30 3HD2 LEU 30 -8.511 -0.528 -2.757 171 HD22 LEU 30 1HD2 LEU 30 -9.431 0.832 -3.401 172 HD23 LEU 30 2HD2 LEU 30 -8.190 0.062 -4.388 173 HA PRO 31 HA PRO 31 -15.145 0.573 -3.215 174 HB2 PRO 31 2HB PRO 31 -14.763 -2.390 -3.068 175 HB3 PRO 31 1HB PRO 31 -16.260 -1.463 -3.190 176 HG2 PRO 31 2HG PRO 31 -15.305 -2.646 -5.339 177 HG3 PRO 31 1HG PRO 31 -15.954 -1.000 -5.449 178 HD2 PRO 31 2HD PRO 31 -13.124 -1.927 -5.432 179 HD3 PRO 31 1HD PRO 31 -13.863 -0.600 -6.351 180 H VAL 32 H VAL 32 -15.591 0.032 -0.980 181 HA VAL 32 HA VAL 32 -13.319 0.587 0.602 182 HB VAL 32 HB VAL 32 -16.023 -0.238 1.526 183 HG11 VAL 32 1HG1 VAL 32 -15.499 1.110 3.553 184 HG12 VAL 32 2HG1 VAL 32 -13.877 1.364 2.911 185 HG13 VAL 32 3HG1 VAL 32 -14.417 -0.263 3.320 186 HG21 VAL 32 3HG2 VAL 32 -16.300 1.633 0.011 187 HG22 VAL 32 1HG2 VAL 32 -15.055 2.543 0.866 188 HG23 VAL 32 2HG2 VAL 32 -16.586 2.183 1.663 189 H THR 33 H THR 33 -11.987 -0.823 0.908 190 HA THR 33 HA THR 33 -12.590 -3.615 1.666 191 HB THR 33 HB THR 33 -10.995 -3.270 -0.234 192 HG1 THR 33 1HG THR 33 -10.646 -4.914 1.672 193 HG21 THR 33 3HG2 THR 33 -8.770 -2.244 0.161 194 HG22 THR 33 1HG2 THR 33 -9.263 -1.869 1.813 195 HG23 THR 33 2HG2 THR 33 -10.078 -1.104 0.453 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -10.492 2.780 4.428 2 HA2 GLY 1 2HA GLY 1 -10.258 4.034 6.618 3 HA3 GLY 1 1HA GLY 1 -8.562 3.544 6.489 4 H GLY 2 H GLY 2 -8.195 5.953 6.402 5 HA2 GLY 2 2HA GLY 2 -9.035 7.382 4.074 6 HA3 GLY 2 1HA GLY 2 -7.766 7.874 5.194 7 H GLY 3 H GLY 3 -6.249 5.604 5.060 8 HA2 GLY 3 2HA GLY 3 -5.506 5.225 2.282 9 HA3 GLY 3 1HA GLY 3 -4.280 5.787 3.430 10 H CYS 4 H CYS 4 -3.090 3.875 3.327 11 HA CYS 4 HA CYS 4 -4.359 1.725 4.808 12 HB2 CYS 4 2HB CYS 4 -2.653 1.410 2.325 13 HB3 CYS 4 1HB CYS 4 -2.967 0.098 3.437 14 H GLY 5 H GLY 5 -3.093 0.673 6.265 15 HA2 GLY 5 2HA GLY 5 -0.764 2.172 7.127 16 HA3 GLY 5 1HA GLY 5 -1.549 0.859 8.003 17 H GLU 6 H GLU 6 -1.205 0.015 4.894 18 HA GLU 6 HA GLU 6 0.954 -1.802 5.498 19 HB2 GLU 6 2HB GLU 6 -0.958 -1.598 3.187 20 HB3 GLU 6 1HB GLU 6 0.356 -2.761 3.259 21 HG2 GLU 6 2HG GLU 6 -1.946 -2.547 5.165 22 HG3 GLU 6 1HG GLU 6 -1.738 -3.764 3.901 23 H THR 7 H THR 7 2.833 -1.895 4.356 24 HA THR 7 HA THR 7 3.337 0.172 2.420 25 HB THR 7 HB THR 7 5.676 -0.065 3.198 26 HG1 THR 7 1HG THR 7 4.652 -2.032 4.689 27 HG21 THR 7 3HG2 THR 7 3.699 0.937 5.248 28 HG22 THR 7 1HG2 THR 7 4.378 1.862 3.911 29 HG23 THR 7 2HG2 THR 7 5.413 1.342 5.244 30 H CYS 8 H CYS 8 4.720 -0.691 0.666 31 HA CYS 8 HA CYS 8 4.720 -3.607 0.646 32 HB2 CYS 8 2HB CYS 8 4.243 -3.487 -1.754 33 HB3 CYS 8 1HB CYS 8 2.950 -2.885 -0.711 34 H VAL 9 H VAL 9 6.700 -2.039 1.495 35 HA VAL 9 HA VAL 9 8.742 -1.419 -0.389 36 HB VAL 9 HB VAL 9 9.312 -2.427 2.398 37 HG11 VAL 9 1HG1 VAL 9 11.207 -0.899 2.311 38 HG12 VAL 9 2HG1 VAL 9 10.742 -0.434 0.675 39 HG13 VAL 9 3HG1 VAL 9 11.238 -2.092 1.011 40 HG21 VAL 9 3HG2 VAL 9 9.090 -0.124 3.234 41 HG22 VAL 9 1HG2 VAL 9 7.558 -0.769 2.645 42 HG23 VAL 9 2HG2 VAL 9 8.474 0.371 1.657 43 H GLY 10 H GLY 10 7.931 -4.288 1.475 44 HA2 GLY 10 2HA GLY 10 10.025 -5.933 0.453 45 HA3 GLY 10 1HA GLY 10 8.603 -6.476 1.334 46 H GLY 11 H GLY 11 6.933 -4.967 -0.642 47 HA2 GLY 11 2HA GLY 11 6.661 -5.184 -3.073 48 HA3 GLY 11 1HA GLY 11 7.172 -6.851 -2.886 49 H THR 12 H THR 12 5.204 -6.400 -0.235 50 HA THR 12 HA THR 12 2.811 -7.001 -1.751 51 HB THR 12 HB THR 12 3.695 -8.574 0.653 52 HG1 THR 12 1HG THR 12 5.200 -9.208 -0.799 53 HG21 THR 12 3HG2 THR 12 1.725 -9.207 -1.560 54 HG22 THR 12 1HG2 THR 12 1.310 -8.686 0.073 55 HG23 THR 12 2HG2 THR 12 2.086 -10.248 -0.185 56 H CYS 13 H CYS 13 1.043 -6.667 -0.524 57 HA CYS 13 HA CYS 13 1.263 -5.000 1.924 58 HB2 CYS 13 2HB CYS 13 -1.061 -5.122 -0.046 59 HB3 CYS 13 1HB CYS 13 -0.900 -4.016 1.306 60 H ASN 14 H ASN 14 -0.002 -5.785 3.757 61 HA ASN 14 HA ASN 14 -0.821 -8.507 3.623 62 HB2 ASN 14 2HB ASN 14 -1.236 -6.394 5.734 63 HB3 ASN 14 1HB ASN 14 -1.934 -8.001 5.886 64 HD21 ASN 14 1HD2 ASN 14 0.994 -6.160 5.791 65 HD22 ASN 14 2HD2 ASN 14 2.026 -7.377 6.465 66 H THR 15 H THR 15 -2.563 -5.504 3.507 67 HA THR 15 HA THR 15 -5.068 -6.885 3.044 68 HB THR 15 HB THR 15 -4.498 -3.910 2.981 69 HG1 THR 15 1HG THR 15 -5.436 -5.326 5.255 70 HG21 THR 15 3HG2 THR 15 -7.004 -5.498 3.605 71 HG22 THR 15 1HG2 THR 15 -6.684 -4.630 2.103 72 HG23 THR 15 2HG2 THR 15 -6.873 -3.740 3.613 73 HA PRO 16 HA PRO 16 -3.841 -6.466 -1.313 74 HB2 PRO 16 2HB PRO 16 -5.659 -8.137 -2.400 75 HB3 PRO 16 1HB PRO 16 -4.245 -8.730 -1.519 76 HG2 PRO 16 2HG PRO 16 -7.063 -8.436 -0.574 77 HG3 PRO 16 1HG PRO 16 -5.924 -9.763 -0.297 78 HD2 PRO 16 2HD PRO 16 -6.445 -7.790 1.537 79 HD3 PRO 16 1HD PRO 16 -4.916 -8.687 1.467 80 H GLY 17 H GLY 17 -6.329 -5.518 0.194 81 HA2 GLY 17 2HA GLY 17 -7.943 -4.287 -1.918 82 HA3 GLY 17 1HA GLY 17 -8.139 -3.965 -0.192 83 H CYS 18 H CYS 18 -5.110 -3.694 -0.270 84 HA CYS 18 HA CYS 18 -5.008 -0.867 -0.992 85 HB2 CYS 18 2HB CYS 18 -3.149 -2.500 0.775 86 HB3 CYS 18 1HB CYS 18 -3.122 -0.769 0.490 87 H THR 19 H THR 19 -3.881 -0.338 -2.588 88 HA THR 19 HA THR 19 -2.605 -2.332 -4.253 89 HB THR 19 HB THR 19 -2.956 0.589 -4.654 90 HG1 THR 19 1HG THR 19 -4.709 -1.615 -4.837 91 HG21 THR 19 3HG2 THR 19 -2.839 -1.738 -6.594 92 HG22 THR 19 1HG2 THR 19 -1.559 -0.557 -6.315 93 HG23 THR 19 2HG2 THR 19 -3.077 -0.053 -7.058 94 H CYS 20 H CYS 20 -0.460 -2.082 -4.846 95 HA CYS 20 HA CYS 20 1.181 -0.761 -2.901 96 HB2 CYS 20 2HB CYS 20 1.723 -3.006 -3.617 97 HB3 CYS 20 1HB CYS 20 1.854 -2.440 -5.281 98 H SER 21 H SER 21 1.619 1.277 -3.147 99 HA SER 21 HA SER 21 2.392 2.252 -5.779 100 HB2 SER 21 2HB SER 21 0.265 3.317 -4.787 101 HB3 SER 21 1HB SER 21 1.268 3.884 -3.456 102 HG SER 21 HG SER 21 2.235 5.288 -4.732 103 H TRP 22 H TRP 22 4.282 1.070 -5.057 104 HA TRP 22 HA TRP 22 5.544 0.941 -2.835 105 HB2 TRP 22 2HB TRP 22 6.112 -0.166 -4.950 106 HB3 TRP 22 1HB TRP 22 6.998 1.281 -5.460 107 HD1 TRP 22 HD TRP 22 7.242 -1.803 -3.290 108 HE1 TRP 22 1HE TRP 22 9.613 -2.003 -2.276 109 HE3 TRP 22 3HE TRP 22 9.092 2.744 -4.652 110 HZ2 TRP 22 2HZ TRP 22 11.910 -0.447 -2.067 111 HZ3 TRP 22 3HZ TRP 22 11.388 3.319 -4.013 112 HH2 TRP 22 HH TRP 22 12.775 1.750 -2.742 113 HA PRO 23 HA PRO 23 7.027 0.829 -1.728 114 HB2 PRO 23 2HB PRO 23 7.900 2.051 0.708 115 HB3 PRO 23 1HB PRO 23 8.868 1.151 -0.470 116 HG2 PRO 23 2HG PRO 23 9.141 3.834 0.014 117 HG3 PRO 23 1HG PRO 23 9.538 3.045 -1.529 118 HD2 PRO 23 2HD PRO 23 7.022 4.516 -0.773 119 HD3 PRO 23 1HD PRO 23 8.007 4.656 -2.253 120 H VAL 24 H VAL 24 4.563 2.951 -1.304 121 HA VAL 24 HA VAL 24 3.781 1.681 1.179 122 HB VAL 24 HB VAL 24 2.291 3.598 1.634 123 HG11 VAL 24 1HG1 VAL 24 4.058 5.185 2.304 124 HG12 VAL 24 2HG1 VAL 24 5.206 4.302 1.296 125 HG13 VAL 24 3HG1 VAL 24 4.475 3.518 2.695 126 HG21 VAL 24 3HG2 VAL 24 2.644 5.722 0.407 127 HG22 VAL 24 1HG2 VAL 24 1.962 4.449 -0.607 128 HG23 VAL 24 2HG2 VAL 24 3.672 4.853 -0.733 129 H CYS 25 H CYS 25 1.440 1.038 1.445 130 HA CYS 25 HA CYS 25 0.297 0.491 -1.101 131 HB2 CYS 25 2HB CYS 25 -0.431 -0.288 1.681 132 HB3 CYS 25 1HB CYS 25 -1.094 -0.934 0.202 133 H THR 26 H THR 26 -1.621 1.329 -1.672 134 HA THR 26 HA THR 26 -2.886 3.299 0.093 135 HB THR 26 HB THR 26 -3.526 4.422 -2.040 136 HG1 THR 26 1HG THR 26 -2.705 3.802 -3.856 137 HG21 THR 26 3HG2 THR 26 -1.883 5.379 -0.518 138 HG22 THR 26 1HG2 THR 26 -1.354 5.666 -2.180 139 HG23 THR 26 2HG2 THR 26 -0.620 4.377 -1.213 140 H ARG 27 H ARG 27 -5.074 3.901 -1.374 141 HA ARG 27 HA ARG 27 -6.447 1.374 -1.610 142 HB2 ARG 27 2HB ARG 27 -7.080 2.465 0.426 143 HB3 ARG 27 1HB ARG 27 -7.321 3.993 -0.425 144 HG2 ARG 27 2HG ARG 27 -9.254 2.962 -1.591 145 HG3 ARG 27 1HG ARG 27 -9.009 1.504 -0.626 146 HD2 ARG 27 2HD ARG 27 -9.502 2.616 1.396 147 HD3 ARG 27 1HD ARG 27 -9.366 4.204 0.648 148 HE ARG 27 HE ARG 27 -11.448 2.548 -0.450 149 HH11 ARG 27 1HH1 ARG 27 -10.749 4.743 2.280 150 HH12 ARG 27 2HH1 ARG 27 -12.303 5.423 2.244 151 HH21 ARG 27 1HH2 ARG 27 -13.560 3.548 -0.457 152 HH22 ARG 27 2HH2 ARG 27 -13.934 4.760 0.670 153 H ASN 28 H ASN 28 -7.266 1.169 -3.397 154 HA ASN 28 HA ASN 28 -7.009 3.234 -5.491 155 HB2 ASN 28 2HB ASN 28 -7.344 1.487 -7.165 156 HB3 ASN 28 1HB ASN 28 -6.112 1.000 -6.009 157 HD21 ASN 28 1HD2 ASN 28 -6.476 -0.761 -4.746 158 HD22 ASN 28 2HD2 ASN 28 -7.824 -1.825 -4.934 159 H GLY 29 H GLY 29 -9.309 3.362 -3.581 160 HA2 GLY 29 2HA GLY 29 -11.448 4.243 -3.998 161 HA3 GLY 29 1HA GLY 29 -11.344 3.633 -5.645 162 H LEU 30 H LEU 30 -10.398 1.233 -3.691 163 HA LEU 30 HA LEU 30 -12.794 -0.280 -3.895 164 HB2 LEU 30 2HB LEU 30 -10.142 -0.667 -2.575 165 HB3 LEU 30 1HB LEU 30 -11.434 -1.743 -2.119 166 HG LEU 30 HG LEU 30 -10.371 -1.331 -4.874 167 HD11 LEU 30 1HD1 LEU 30 -8.781 -2.525 -3.427 168 HD12 LEU 30 2HD1 LEU 30 -9.491 -3.654 -4.587 169 HD13 LEU 30 3HD1 LEU 30 -10.061 -3.628 -2.923 170 HD21 LEU 30 3HD2 LEU 30 -11.685 -3.344 -5.463 171 HD22 LEU 30 1HD2 LEU 30 -12.686 -1.969 -4.997 172 HD23 LEU 30 2HD2 LEU 30 -12.415 -3.288 -3.862 173 HA PRO 31 HA PRO 31 -15.152 0.436 -0.116 174 HB2 PRO 31 2HB PRO 31 -14.132 -2.232 0.812 175 HB3 PRO 31 1HB PRO 31 -15.784 -1.596 0.868 176 HG2 PRO 31 2HG PRO 31 -15.203 -3.318 -1.008 177 HG3 PRO 31 1HG PRO 31 -16.084 -1.844 -1.453 178 HD2 PRO 31 2HD PRO 31 -13.181 -2.489 -1.832 179 HD3 PRO 31 1HD PRO 31 -14.244 -1.680 -2.961 180 H VAL 32 H VAL 32 -14.961 0.747 2.191 181 HA VAL 32 HA VAL 32 -12.708 2.254 2.532 182 HB VAL 32 HB VAL 32 -13.558 2.811 4.664 183 HG11 VAL 32 1HG1 VAL 32 -15.699 2.657 2.568 184 HG12 VAL 32 2HG1 VAL 32 -14.485 3.920 2.759 185 HG13 VAL 32 3HG1 VAL 32 -15.738 3.709 3.983 186 HG21 VAL 32 3HG2 VAL 32 -15.625 0.636 4.281 187 HG22 VAL 32 1HG2 VAL 32 -15.683 1.864 5.549 188 HG23 VAL 32 2HG2 VAL 32 -14.370 0.689 5.514 189 H THR 33 H THR 33 -10.778 1.638 2.897 190 HA THR 33 HA THR 33 -10.208 -0.506 4.798 191 HB THR 33 HB THR 33 -8.131 1.030 3.263 192 HG1 THR 33 1HG THR 33 -9.345 -1.171 1.997 193 HG21 THR 33 3HG2 THR 33 -8.481 -1.901 3.945 194 HG22 THR 33 1HG2 THR 33 -7.477 -0.755 4.835 195 HG23 THR 33 2HG2 THR 33 -7.066 -1.183 3.174 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -11.081 7.327 4.565 2 HA2 GLY 1 2HA GLY 1 -9.110 7.480 5.894 3 HA3 GLY 1 1HA GLY 1 -8.837 5.761 5.600 4 H GLY 2 H GLY 2 -6.871 7.668 5.068 5 HA2 GLY 2 2HA GLY 2 -6.951 8.382 2.282 6 HA3 GLY 2 1HA GLY 2 -5.626 8.665 3.401 7 H GLY 3 H GLY 3 -7.290 5.884 2.065 8 HA2 GLY 3 2HA GLY 3 -6.388 4.307 0.555 9 HA3 GLY 3 1HA GLY 3 -4.780 4.917 0.922 10 H CYS 4 H CYS 4 -3.577 3.900 2.343 11 HA CYS 4 HA CYS 4 -4.626 2.213 4.399 12 HB2 CYS 4 2HB CYS 4 -2.931 1.036 2.136 13 HB3 CYS 4 1HB CYS 4 -3.215 0.247 3.672 14 H GLY 5 H GLY 5 -2.889 1.685 5.926 15 HA2 GLY 5 2HA GLY 5 -0.719 3.646 5.657 16 HA3 GLY 5 1HA GLY 5 -1.367 3.059 7.180 17 H GLU 6 H GLU 6 -1.102 0.561 5.017 18 HA GLU 6 HA GLU 6 1.251 -0.376 6.426 19 HB2 GLU 6 2HB GLU 6 0.751 -2.610 5.381 20 HB3 GLU 6 1HB GLU 6 -0.515 -1.998 6.424 21 HG2 GLU 6 2HG GLU 6 -1.790 -1.309 4.437 22 HG3 GLU 6 1HG GLU 6 -0.516 -1.969 3.413 23 H THR 7 H THR 7 2.913 -1.694 5.035 24 HA THR 7 HA THR 7 3.509 0.058 2.824 25 HB THR 7 HB THR 7 5.809 -0.626 3.326 26 HG1 THR 7 1HG THR 7 6.185 -1.936 5.002 27 HG21 THR 7 3HG2 THR 7 5.003 1.549 3.976 28 HG22 THR 7 1HG2 THR 7 6.045 0.931 5.257 29 HG23 THR 7 2HG2 THR 7 4.290 0.886 5.448 30 H CYS 8 H CYS 8 4.885 -0.947 1.119 31 HA CYS 8 HA CYS 8 4.505 -3.825 0.812 32 HB2 CYS 8 2HB CYS 8 3.996 -3.406 -1.538 33 HB3 CYS 8 1HB CYS 8 2.761 -2.840 -0.414 34 H VAL 9 H VAL 9 6.657 -2.389 1.671 35 HA VAL 9 HA VAL 9 8.536 -1.607 -0.316 36 HB VAL 9 HB VAL 9 9.328 -2.797 2.349 37 HG11 VAL 9 1HG1 VAL 9 11.230 -1.267 2.200 38 HG12 VAL 9 2HG1 VAL 9 10.647 -0.710 0.632 39 HG13 VAL 9 3HG1 VAL 9 11.161 -2.383 0.837 40 HG21 VAL 9 3HG2 VAL 9 8.386 0.012 1.799 41 HG22 VAL 9 1HG2 VAL 9 9.207 -0.496 3.279 42 HG23 VAL 9 2HG2 VAL 9 7.646 -1.186 2.861 43 H GLY 10 H GLY 10 7.785 -4.642 1.201 44 HA2 GLY 10 2HA GLY 10 9.915 -6.126 0.037 45 HA3 GLY 10 1HA GLY 10 8.499 -6.794 0.831 46 H GLY 11 H GLY 11 6.920 -5.013 -1.222 47 HA2 GLY 11 2HA GLY 11 7.100 -5.460 -3.744 48 HA3 GLY 11 1HA GLY 11 6.939 -7.130 -3.238 49 H THR 12 H THR 12 4.924 -6.439 -1.062 50 HA THR 12 HA THR 12 2.748 -5.460 -2.563 51 HB THR 12 HB THR 12 2.845 -7.727 -3.470 52 HG1 THR 12 1HG THR 12 0.763 -8.019 -3.340 53 HG21 THR 12 3HG2 THR 12 4.037 -8.868 -1.671 54 HG22 THR 12 1HG2 THR 12 2.533 -9.716 -2.034 55 HG23 THR 12 2HG2 THR 12 2.642 -8.678 -0.610 56 H CYS 13 H CYS 13 0.828 -5.972 -1.260 57 HA CYS 13 HA CYS 13 1.320 -4.944 1.445 58 HB2 CYS 13 2HB CYS 13 -1.272 -5.031 -0.118 59 HB3 CYS 13 1HB CYS 13 -0.989 -4.182 1.396 60 H ASN 14 H ASN 14 -0.576 -5.648 3.016 61 HA ASN 14 HA ASN 14 -0.597 -8.593 3.018 62 HB2 ASN 14 2HB ASN 14 -1.316 -6.693 5.261 63 HB3 ASN 14 1HB ASN 14 -1.118 -8.436 5.381 64 HD21 ASN 14 1HD2 ASN 14 0.433 -5.398 5.236 65 HD22 ASN 14 2HD2 ASN 14 2.033 -5.944 5.570 66 H THR 15 H THR 15 -2.524 -5.692 3.214 67 HA THR 15 HA THR 15 -5.007 -7.195 3.188 68 HB THR 15 HB THR 15 -4.531 -4.206 3.015 69 HG1 THR 15 1HG THR 15 -3.805 -4.517 4.972 70 HG21 THR 15 3HG2 THR 15 -6.932 -5.827 3.893 71 HG22 THR 15 1HG2 THR 15 -6.786 -4.951 2.370 72 HG23 THR 15 2HG2 THR 15 -6.822 -4.066 3.895 73 HA PRO 16 HA PRO 16 -4.710 -7.154 -1.291 74 HB2 PRO 16 2HB PRO 16 -7.422 -8.257 -1.281 75 HB3 PRO 16 1HB PRO 16 -5.918 -8.992 -1.859 76 HG2 PRO 16 2HG PRO 16 -7.184 -9.848 0.362 77 HG3 PRO 16 1HG PRO 16 -5.419 -9.875 0.210 78 HD2 PRO 16 2HD PRO 16 -7.166 -7.917 1.654 79 HD3 PRO 16 1HD PRO 16 -5.623 -8.662 2.144 80 H GLY 17 H GLY 17 -6.644 -5.562 0.477 81 HA2 GLY 17 2HA GLY 17 -8.115 -4.107 -1.617 82 HA3 GLY 17 1HA GLY 17 -8.272 -3.780 0.112 83 H CYS 18 H CYS 18 -5.203 -3.994 -0.029 84 HA CYS 18 HA CYS 18 -4.810 -1.191 -0.634 85 HB2 CYS 18 2HB CYS 18 -3.113 -3.057 1.063 86 HB3 CYS 18 1HB CYS 18 -2.938 -1.321 0.863 87 H THR 19 H THR 19 -3.534 -0.718 -2.230 88 HA THR 19 HA THR 19 -2.117 -2.904 -3.550 89 HB THR 19 HB THR 19 -3.253 -0.397 -4.796 90 HG1 THR 19 1HG THR 19 -4.289 -2.931 -4.216 91 HG21 THR 19 3HG2 THR 19 -2.277 -2.986 -6.029 92 HG22 THR 19 1HG2 THR 19 -1.428 -1.440 -6.070 93 HG23 THR 19 2HG2 THR 19 -2.969 -1.623 -6.911 94 H CYS 20 H CYS 20 -0.099 -2.176 -4.615 95 HA CYS 20 HA CYS 20 1.313 -0.671 -2.673 96 HB2 CYS 20 2HB CYS 20 2.017 -2.847 -3.496 97 HB3 CYS 20 1HB CYS 20 2.244 -2.134 -5.091 98 H SER 21 H SER 21 1.866 1.310 -2.844 99 HA SER 21 HA SER 21 2.514 2.491 -5.398 100 HB2 SER 21 2HB SER 21 1.330 3.743 -2.905 101 HB3 SER 21 1HB SER 21 1.763 4.582 -4.393 102 HG SER 21 HG SER 21 0.227 2.559 -5.037 103 H TRP 22 H TRP 22 4.416 1.217 -4.656 104 HA TRP 22 HA TRP 22 5.701 0.993 -2.477 105 HB2 TRP 22 2HB TRP 22 6.223 0.045 -4.687 106 HB3 TRP 22 1HB TRP 22 7.143 1.504 -5.070 107 HD1 TRP 22 HD TRP 22 7.282 -1.750 -3.129 108 HE1 TRP 22 1HE TRP 22 9.650 -2.115 -2.202 109 HE3 TRP 22 3HE TRP 22 9.285 2.807 -4.215 110 HZ2 TRP 22 2HZ TRP 22 12.046 -0.659 -1.946 111 HZ3 TRP 22 3HZ TRP 22 11.625 3.243 -3.605 112 HH2 TRP 22 HH TRP 22 12.978 1.538 -2.493 113 HA PRO 23 HA PRO 23 7.213 0.778 -1.409 114 HB2 PRO 23 2HB PRO 23 8.081 1.883 1.113 115 HB3 PRO 23 1HB PRO 23 9.034 0.977 -0.074 116 HG2 PRO 23 2HG PRO 23 9.465 3.601 0.464 117 HG3 PRO 23 1HG PRO 23 9.739 2.882 -1.127 118 HD2 PRO 23 2HD PRO 23 7.313 4.396 -0.182 119 HD3 PRO 23 1HD PRO 23 8.264 4.616 -1.676 120 H VAL 24 H VAL 24 4.836 2.929 -0.876 121 HA VAL 24 HA VAL 24 3.930 1.610 1.545 122 HB VAL 24 HB VAL 24 2.539 3.638 1.991 123 HG11 VAL 24 1HG1 VAL 24 4.668 3.344 3.126 124 HG12 VAL 24 2HG1 VAL 24 4.426 5.048 2.737 125 HG13 VAL 24 3HG1 VAL 24 5.517 4.065 1.761 126 HG21 VAL 24 3HG2 VAL 24 2.427 4.514 -0.270 127 HG22 VAL 24 1HG2 VAL 24 4.166 4.802 -0.254 128 HG23 VAL 24 2HG2 VAL 24 3.116 5.716 0.826 129 H CYS 25 H CYS 25 1.634 1.035 1.742 130 HA CYS 25 HA CYS 25 0.487 0.463 -0.772 131 HB2 CYS 25 2HB CYS 25 -0.264 -0.087 2.064 132 HB3 CYS 25 1HB CYS 25 -1.155 -0.615 0.651 133 H THR 26 H THR 26 -1.534 1.086 -1.400 134 HA THR 26 HA THR 26 -2.882 3.273 0.006 135 HB THR 26 HB THR 26 -3.594 3.940 -2.310 136 HG1 THR 26 1HG THR 26 -1.293 3.008 -3.467 137 HG21 THR 26 3HG2 THR 26 -2.018 5.256 -1.014 138 HG22 THR 26 1HG2 THR 26 -1.520 5.264 -2.712 139 HG23 THR 26 2HG2 THR 26 -0.698 4.224 -1.535 140 H ARG 27 H ARG 27 -5.130 3.263 -1.813 141 HA ARG 27 HA ARG 27 -6.086 0.608 -1.356 142 HB2 ARG 27 2HB ARG 27 -6.984 2.148 0.321 143 HB3 ARG 27 1HB ARG 27 -7.537 3.219 -0.959 144 HG2 ARG 27 2HG ARG 27 -9.088 1.509 -1.725 145 HG3 ARG 27 1HG ARG 27 -8.518 0.421 -0.458 146 HD2 ARG 27 2HD ARG 27 -9.835 3.098 -0.035 147 HD3 ARG 27 1HD ARG 27 -10.592 1.523 0.198 148 HE ARG 27 HE ARG 27 -8.183 2.114 1.733 149 HH11 ARG 27 1HH1 ARG 27 -11.745 1.909 1.756 150 HH12 ARG 27 2HH1 ARG 27 -11.807 1.644 3.436 151 HH21 ARG 27 1HH2 ARG 27 -8.347 1.813 4.030 152 HH22 ARG 27 2HH2 ARG 27 -9.887 1.620 4.727 153 H ASN 28 H ASN 28 -7.129 -0.124 -2.976 154 HA ASN 28 HA ASN 28 -7.593 1.589 -5.315 155 HB2 ASN 28 2HB ASN 28 -5.644 0.677 -6.059 156 HB3 ASN 28 1HB ASN 28 -5.870 -0.815 -5.161 157 HD21 ASN 28 1HD2 ASN 28 -7.003 -2.437 -6.027 158 HD22 ASN 28 2HD2 ASN 28 -7.517 -2.526 -7.660 159 H GLY 29 H GLY 29 -9.473 1.449 -6.234 160 HA2 GLY 29 2HA GLY 29 -11.414 0.646 -7.110 161 HA3 GLY 29 1HA GLY 29 -10.756 -0.967 -6.920 162 H LEU 30 H LEU 30 -11.015 1.104 -4.210 163 HA LEU 30 HA LEU 30 -13.298 -0.440 -3.309 164 HB2 LEU 30 2HB LEU 30 -10.684 -0.087 -1.922 165 HB3 LEU 30 1HB LEU 30 -12.129 -0.475 -1.017 166 HG LEU 30 HG LEU 30 -11.042 -2.073 -3.282 167 HD11 LEU 30 1HD1 LEU 30 -10.921 -2.514 -0.283 168 HD12 LEU 30 2HD1 LEU 30 -9.548 -2.124 -1.322 169 HD13 LEU 30 3HD1 LEU 30 -10.372 -3.676 -1.488 170 HD21 LEU 30 3HD2 LEU 30 -12.551 -3.838 -2.393 171 HD22 LEU 30 1HD2 LEU 30 -13.397 -2.438 -3.054 172 HD23 LEU 30 2HD2 LEU 30 -13.239 -2.629 -1.312 173 HA PRO 31 HA PRO 31 -15.140 3.195 -1.608 174 HB2 PRO 31 2HB PRO 31 -15.295 1.793 1.002 175 HB3 PRO 31 1HB PRO 31 -16.597 2.491 0.038 176 HG2 PRO 31 2HG PRO 31 -16.265 -0.159 0.206 177 HG3 PRO 31 1HG PRO 31 -16.796 0.617 -1.296 178 HD2 PRO 31 2HD PRO 31 -14.085 -0.497 -0.621 179 HD3 PRO 31 1HD PRO 31 -14.909 -0.478 -2.154 180 H VAL 32 H VAL 32 -14.459 4.976 -0.696 181 HA VAL 32 HA VAL 32 -11.832 4.875 0.454 182 HB VAL 32 HB VAL 32 -13.504 7.302 -0.098 183 HG11 VAL 32 1HG1 VAL 32 -11.700 7.745 1.452 184 HG12 VAL 32 2HG1 VAL 32 -11.345 8.508 -0.099 185 HG13 VAL 32 3HG1 VAL 32 -10.536 7.008 0.351 186 HG21 VAL 32 3HG2 VAL 32 -13.179 6.092 -2.182 187 HG22 VAL 32 1HG2 VAL 32 -11.444 5.993 -1.879 188 HG23 VAL 32 2HG2 VAL 32 -12.196 7.557 -2.189 189 H THR 33 H THR 33 -11.601 4.702 2.387 190 HA THR 33 HA THR 33 -13.009 6.261 4.369 191 HB THR 33 HB THR 33 -12.728 3.245 4.709 192 HG1 THR 33 1HG THR 33 -14.651 4.790 3.528 193 HG21 THR 33 3HG2 THR 33 -14.248 5.319 6.314 194 HG22 THR 33 1HG2 THR 33 -12.740 4.547 6.804 195 HG23 THR 33 2HG2 THR 33 -14.213 3.588 6.651 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -9.046 4.470 6.868 2 HA2 GLY 1 2HA GLY 1 -7.673 5.642 9.108 3 HA3 GLY 1 1HA GLY 1 -6.773 4.327 8.358 4 H GLY 2 H GLY 2 -8.885 6.591 6.728 5 HA2 GLY 2 2HA GLY 2 -8.442 8.207 5.116 6 HA3 GLY 2 1HA GLY 2 -6.743 8.111 5.563 7 H GLY 3 H GLY 3 -5.984 5.700 5.042 8 HA2 GLY 3 2HA GLY 3 -6.904 4.725 2.492 9 HA3 GLY 3 1HA GLY 3 -5.271 5.407 2.529 10 H CYS 4 H CYS 4 -4.063 3.585 2.364 11 HA CYS 4 HA CYS 4 -4.448 1.701 4.551 12 HB2 CYS 4 2HB CYS 4 -3.201 1.165 1.826 13 HB3 CYS 4 1HB CYS 4 -3.112 0.067 3.187 14 H GLY 5 H GLY 5 -3.141 2.156 6.125 15 HA2 GLY 5 2HA GLY 5 -0.764 3.737 5.695 16 HA3 GLY 5 1HA GLY 5 -1.394 3.192 7.238 17 H GLU 6 H GLU 6 -1.066 0.788 4.915 18 HA GLU 6 HA GLU 6 1.201 -0.277 6.380 19 HB2 GLU 6 2HB GLU 6 0.701 -2.432 5.248 20 HB3 GLU 6 1HB GLU 6 -0.621 -1.838 6.230 21 HG2 GLU 6 2HG GLU 6 -1.698 -1.006 4.160 22 HG3 GLU 6 1HG GLU 6 -0.416 -1.792 3.232 23 H THR 7 H THR 7 2.975 -1.369 5.060 24 HA THR 7 HA THR 7 3.443 0.264 2.727 25 HB THR 7 HB THR 7 5.784 -0.246 3.249 26 HG1 THR 7 1HG THR 7 5.573 -0.606 5.884 27 HG21 THR 7 3HG2 THR 7 4.219 1.331 5.294 28 HG22 THR 7 1HG2 THR 7 4.872 1.928 3.771 29 HG23 THR 7 2HG2 THR 7 5.966 1.453 5.073 30 H CYS 8 H CYS 8 4.875 -0.844 1.127 31 HA CYS 8 HA CYS 8 4.529 -3.739 1.114 32 HB2 CYS 8 2HB CYS 8 4.035 -3.551 -1.280 33 HB3 CYS 8 1HB CYS 8 2.797 -2.925 -0.193 34 H VAL 9 H VAL 9 6.709 -2.441 1.881 35 HA VAL 9 HA VAL 9 8.614 -1.719 -0.100 36 HB VAL 9 HB VAL 9 9.321 -2.889 2.603 37 HG11 VAL 9 1HG1 VAL 9 10.836 -0.987 0.835 38 HG12 VAL 9 2HG1 VAL 9 11.219 -2.681 1.130 39 HG13 VAL 9 3HG1 VAL 9 11.334 -1.509 2.445 40 HG21 VAL 9 3HG2 VAL 9 7.714 -1.082 2.932 41 HG22 VAL 9 1HG2 VAL 9 8.702 -0.013 1.939 42 HG23 VAL 9 2HG2 VAL 9 9.316 -0.599 3.484 43 H GLY 10 H GLY 10 7.660 -4.785 1.192 44 HA2 GLY 10 2HA GLY 10 9.885 -6.230 0.056 45 HA3 GLY 10 1HA GLY 10 8.502 -6.921 0.887 46 H GLY 11 H GLY 11 7.019 -4.988 -1.228 47 HA2 GLY 11 2HA GLY 11 7.192 -5.496 -3.742 48 HA3 GLY 11 1HA GLY 11 6.880 -7.140 -3.219 49 H THR 12 H THR 12 4.882 -6.474 -1.165 50 HA THR 12 HA THR 12 2.861 -5.076 -2.512 51 HB THR 12 HB THR 12 2.771 -7.251 -3.716 52 HG1 THR 12 1HG THR 12 0.848 -6.479 -3.799 53 HG21 THR 12 3HG2 THR 12 2.065 -8.407 -1.008 54 HG22 THR 12 1HG2 THR 12 3.525 -8.759 -1.932 55 HG23 THR 12 2HG2 THR 12 1.951 -9.270 -2.542 56 H CYS 13 H CYS 13 0.849 -5.627 -1.298 57 HA CYS 13 HA CYS 13 1.437 -4.858 1.487 58 HB2 CYS 13 2HB CYS 13 -1.215 -4.781 0.040 59 HB3 CYS 13 1HB CYS 13 -0.791 -3.949 1.533 60 H ASN 14 H ASN 14 -0.321 -5.674 3.118 61 HA ASN 14 HA ASN 14 -0.567 -8.544 2.715 62 HB2 ASN 14 2HB ASN 14 -0.673 -6.860 5.208 63 HB3 ASN 14 1HB ASN 14 -1.375 -8.471 5.194 64 HD21 ASN 14 1HD2 ASN 14 1.534 -6.648 5.171 65 HD22 ASN 14 2HD2 ASN 14 2.619 -7.980 5.383 66 H THR 15 H THR 15 -2.499 -5.699 3.242 67 HA THR 15 HA THR 15 -4.914 -7.266 3.111 68 HB THR 15 HB THR 15 -4.587 -4.259 2.898 69 HG1 THR 15 1HG THR 15 -3.881 -4.418 4.826 70 HG21 THR 15 3HG2 THR 15 -6.874 -4.213 3.797 71 HG22 THR 15 1HG2 THR 15 -6.889 -5.976 3.870 72 HG23 THR 15 2HG2 THR 15 -6.819 -5.158 2.310 73 HA PRO 16 HA PRO 16 -4.593 -7.257 -1.356 74 HB2 PRO 16 2HB PRO 16 -6.878 -8.551 -1.974 75 HB3 PRO 16 1HB PRO 16 -5.480 -9.366 -1.259 76 HG2 PRO 16 2HG PRO 16 -7.965 -8.374 0.085 77 HG3 PRO 16 1HG PRO 16 -7.120 -9.917 0.294 78 HD2 PRO 16 2HD PRO 16 -6.829 -7.818 2.009 79 HD3 PRO 16 1HD PRO 16 -5.540 -9.004 1.705 80 H GLY 17 H GLY 17 -6.536 -5.611 0.324 81 HA2 GLY 17 2HA GLY 17 -8.018 -4.276 -1.874 82 HA3 GLY 17 1HA GLY 17 -8.328 -3.990 -0.161 83 H CYS 18 H CYS 18 -5.125 -4.061 -0.335 84 HA CYS 18 HA CYS 18 -4.975 -1.196 -0.751 85 HB2 CYS 18 2HB CYS 18 -3.159 -2.971 0.906 86 HB3 CYS 18 1HB CYS 18 -3.085 -1.224 0.750 87 H THR 19 H THR 19 -3.796 -0.519 -2.341 88 HA THR 19 HA THR 19 -2.511 -2.466 -4.073 89 HB THR 19 HB THR 19 -2.836 0.478 -4.476 90 HG1 THR 19 1HG THR 19 -4.671 -1.350 -5.583 91 HG21 THR 19 3HG2 THR 19 -2.688 -1.845 -6.409 92 HG22 THR 19 1HG2 THR 19 -1.422 -0.661 -6.078 93 HG23 THR 19 2HG2 THR 19 -2.916 -0.156 -6.869 94 H CYS 20 H CYS 20 -0.309 -2.113 -4.690 95 HA CYS 20 HA CYS 20 1.194 -0.782 -2.634 96 HB2 CYS 20 2HB CYS 20 1.798 -3.051 -3.313 97 HB3 CYS 20 1HB CYS 20 2.078 -2.461 -4.950 98 H SER 21 H SER 21 2.015 1.056 -2.872 99 HA SER 21 HA SER 21 2.564 2.229 -5.484 100 HB2 SER 21 2HB SER 21 0.504 3.204 -4.315 101 HB3 SER 21 1HB SER 21 1.549 3.622 -2.963 102 HG SER 21 HG SER 21 1.004 5.123 -4.892 103 H TRP 22 H TRP 22 4.378 0.747 -4.569 104 HA TRP 22 HA TRP 22 5.713 0.702 -2.414 105 HB2 TRP 22 2HB TRP 22 6.186 -0.566 -4.436 106 HB3 TRP 22 1HB TRP 22 7.099 0.795 -5.093 107 HD1 TRP 22 HD TRP 22 7.335 -2.156 -2.789 108 HE1 TRP 22 1HE TRP 22 9.716 -2.393 -1.855 109 HE3 TRP 22 3HE TRP 22 9.263 2.296 -4.359 110 HZ2 TRP 22 2HZ TRP 22 12.072 -0.890 -1.768 111 HZ3 TRP 22 3HZ TRP 22 11.598 2.825 -3.818 112 HH2 TRP 22 HH TRP 22 12.982 1.262 -2.548 113 HA PRO 23 HA PRO 23 7.220 0.552 -1.334 114 HB2 PRO 23 2HB PRO 23 8.115 1.855 1.055 115 HB3 PRO 23 1HB PRO 23 9.053 0.860 -0.067 116 HG2 PRO 23 2HG PRO 23 9.467 3.543 0.270 117 HG3 PRO 23 1HG PRO 23 9.802 2.660 -1.227 118 HD2 PRO 23 2HD PRO 23 7.354 4.273 -0.547 119 HD3 PRO 23 1HD PRO 23 8.348 4.315 -2.027 120 H VAL 24 H VAL 24 4.944 2.881 -1.015 121 HA VAL 24 HA VAL 24 3.955 1.824 1.510 122 HB VAL 24 HB VAL 24 2.610 3.940 1.695 123 HG11 VAL 24 1HG1 VAL 24 4.686 3.732 2.945 124 HG12 VAL 24 2HG1 VAL 24 4.533 5.377 2.331 125 HG13 VAL 24 3HG1 VAL 24 5.611 4.235 1.531 126 HG21 VAL 24 3HG2 VAL 24 4.336 4.807 -0.620 127 HG22 VAL 24 1HG2 VAL 24 3.283 5.862 0.323 128 HG23 VAL 24 2HG2 VAL 24 2.590 4.566 -0.654 129 H CYS 25 H CYS 25 1.574 1.352 1.694 130 HA CYS 25 HA CYS 25 0.496 0.662 -0.841 131 HB2 CYS 25 2HB CYS 25 -0.397 0.182 1.978 132 HB3 CYS 25 1HB CYS 25 -1.132 -0.422 0.521 133 H THR 26 H THR 26 -1.666 1.148 -1.369 134 HA THR 26 HA THR 26 -2.902 3.458 -0.080 135 HB THR 26 HB THR 26 -3.776 3.925 -2.393 136 HG1 THR 26 1HG THR 26 -2.441 3.086 -4.105 137 HG21 THR 26 3HG2 THR 26 -2.086 5.309 -1.315 138 HG22 THR 26 1HG2 THR 26 -1.688 5.168 -3.037 139 HG23 THR 26 2HG2 THR 26 -0.830 4.200 -1.817 140 H ARG 27 H ARG 27 -5.473 3.377 -1.359 141 HA ARG 27 HA ARG 27 -6.124 0.714 -0.791 142 HB2 ARG 27 2HB ARG 27 -8.277 1.596 -0.142 143 HB3 ARG 27 1HB ARG 27 -6.967 1.950 1.004 144 HG2 ARG 27 2HG ARG 27 -6.914 4.196 0.218 145 HG3 ARG 27 1HG ARG 27 -8.020 3.803 -1.098 146 HD2 ARG 27 2HD ARG 27 -9.787 3.373 0.472 147 HD3 ARG 27 1HD ARG 27 -8.685 3.648 1.827 148 HE ARG 27 HE ARG 27 -8.302 5.783 0.603 149 HH11 ARG 27 1HH1 ARG 27 -11.488 4.209 0.819 150 HH12 ARG 27 2HH1 ARG 27 -12.372 5.657 0.943 151 HH21 ARG 27 1HH2 ARG 27 -9.597 7.811 0.812 152 HH22 ARG 27 2HH2 ARG 27 -11.290 7.735 0.980 153 H ASN 28 H ASN 28 -7.448 -0.192 -2.115 154 HA ASN 28 HA ASN 28 -8.745 1.392 -4.218 155 HB2 ASN 28 2HB ASN 28 -8.518 -0.376 -5.874 156 HB3 ASN 28 1HB ASN 28 -6.929 -0.058 -5.208 157 HD21 ASN 28 1HD2 ASN 28 -5.979 -1.648 -3.947 158 HD22 ASN 28 2HD2 ASN 28 -6.488 -3.294 -3.963 159 H GLY 29 H GLY 29 -10.775 1.551 -3.747 160 HA2 GLY 29 2HA GLY 29 -12.962 0.969 -3.349 161 HA3 GLY 29 1HA GLY 29 -12.499 -0.693 -3.678 162 H LEU 30 H LEU 30 -11.119 1.265 -1.130 163 HA LEU 30 HA LEU 30 -12.338 -0.613 0.729 164 HB2 LEU 30 2HB LEU 30 -9.711 0.789 0.878 165 HB3 LEU 30 1HB LEU 30 -10.494 0.249 2.340 166 HG LEU 30 HG LEU 30 -9.826 -1.556 0.053 167 HD11 LEU 30 1HD1 LEU 30 -8.392 -1.070 2.684 168 HD12 LEU 30 2HD1 LEU 30 -7.791 -0.598 1.095 169 HD13 LEU 30 3HD1 LEU 30 -7.952 -2.304 1.507 170 HD21 LEU 30 3HD2 LEU 30 -10.572 -2.142 2.908 171 HD22 LEU 30 1HD2 LEU 30 -10.157 -3.340 1.687 172 HD23 LEU 30 2HD2 LEU 30 -11.614 -2.362 1.507 173 HA PRO 31 HA PRO 31 -14.454 2.688 2.769 174 HB2 PRO 31 2HB PRO 31 -14.246 1.294 5.290 175 HB3 PRO 31 1HB PRO 31 -15.675 1.494 4.281 176 HG2 PRO 31 2HG PRO 31 -14.347 -0.897 4.706 177 HG3 PRO 31 1HG PRO 31 -15.439 -0.570 3.356 178 HD2 PRO 31 2HD PRO 31 -12.463 -0.716 3.366 179 HD3 PRO 31 1HD PRO 31 -13.602 -0.983 2.062 180 H VAL 32 H VAL 32 -13.973 4.364 4.156 181 HA VAL 32 HA VAL 32 -11.187 4.743 4.569 182 HB VAL 32 HB VAL 32 -13.357 6.442 5.660 183 HG11 VAL 32 1HG1 VAL 32 -11.691 8.271 5.396 184 HG12 VAL 32 2HG1 VAL 32 -10.533 7.072 4.824 185 HG13 VAL 32 3HG1 VAL 32 -11.159 6.978 6.469 186 HG21 VAL 32 3HG2 VAL 32 -13.294 7.786 3.574 187 HG22 VAL 32 1HG2 VAL 32 -13.862 6.139 3.306 188 HG23 VAL 32 2HG2 VAL 32 -12.212 6.584 2.872 189 H THR 33 H THR 33 -10.449 3.573 6.035 190 HA THR 33 HA THR 33 -11.637 3.522 8.723 191 HB THR 33 HB THR 33 -9.805 1.377 7.621 192 HG1 THR 33 1HG THR 33 -11.584 1.503 6.199 193 HG21 THR 33 3HG2 THR 33 -11.006 -0.012 9.265 194 HG22 THR 33 1HG2 THR 33 -11.986 1.377 9.724 195 HG23 THR 33 2HG2 THR 33 -10.251 1.378 10.049 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -9.527 6.715 7.179 2 HA2 GLY 1 2HA GLY 1 -7.447 6.443 8.138 3 HA3 GLY 1 1HA GLY 1 -7.348 4.843 7.398 4 H GLY 2 H GLY 2 -8.152 7.600 5.520 5 HA2 GLY 2 2HA GLY 2 -7.006 8.808 3.917 6 HA3 GLY 2 1HA GLY 2 -5.504 8.120 4.534 7 H GLY 3 H GLY 3 -5.125 5.902 4.039 8 HA2 GLY 3 2HA GLY 3 -6.404 4.906 1.637 9 HA3 GLY 3 1HA GLY 3 -4.656 5.144 1.573 10 H CYS 4 H CYS 4 -3.338 3.819 2.759 11 HA CYS 4 HA CYS 4 -4.529 1.925 4.573 12 HB2 CYS 4 2HB CYS 4 -2.706 0.969 2.281 13 HB3 CYS 4 1HB CYS 4 -3.224 0.033 3.658 14 H GLY 5 H GLY 5 -3.122 1.385 6.230 15 HA2 GLY 5 2HA GLY 5 -0.904 3.237 6.467 16 HA3 GLY 5 1HA GLY 5 -1.582 2.229 7.739 17 H GLU 6 H GLU 6 -1.017 0.594 4.871 18 HA GLU 6 HA GLU 6 1.157 -0.875 6.122 19 HB2 GLU 6 2HB GLU 6 -0.190 -1.415 3.481 20 HB3 GLU 6 1HB GLU 6 0.927 -2.461 4.318 21 HG2 GLU 6 2HG GLU 6 -0.824 -2.455 6.171 22 HG3 GLU 6 1HG GLU 6 -1.896 -1.824 4.928 23 H THR 7 H THR 7 3.141 -1.195 5.077 24 HA THR 7 HA THR 7 3.678 0.579 2.876 25 HB THR 7 HB THR 7 6.009 0.141 3.496 26 HG1 THR 7 1HG THR 7 6.112 -1.590 4.764 27 HG21 THR 7 3HG2 THR 7 4.329 1.401 5.671 28 HG22 THR 7 1HG2 THR 7 4.965 2.211 4.240 29 HG23 THR 7 2HG2 THR 7 6.067 1.635 5.491 30 H CYS 8 H CYS 8 5.089 -0.519 1.203 31 HA CYS 8 HA CYS 8 4.747 -3.389 1.283 32 HB2 CYS 8 2HB CYS 8 4.004 -3.344 -1.010 33 HB3 CYS 8 1HB CYS 8 2.929 -2.474 0.098 34 H VAL 9 H VAL 9 6.977 -2.349 1.928 35 HA VAL 9 HA VAL 9 8.750 -1.574 -0.152 36 HB VAL 9 HB VAL 9 9.558 -2.860 2.479 37 HG11 VAL 9 1HG1 VAL 9 11.106 -1.080 0.589 38 HG12 VAL 9 2HG1 VAL 9 11.354 -2.809 0.815 39 HG13 VAL 9 3HG1 VAL 9 11.694 -1.693 2.134 40 HG21 VAL 9 3HG2 VAL 9 9.807 -0.588 3.332 41 HG22 VAL 9 1HG2 VAL 9 8.142 -0.892 2.843 42 HG23 VAL 9 2HG2 VAL 9 9.204 0.064 1.808 43 H GLY 10 H GLY 10 7.781 -4.668 1.079 44 HA2 GLY 10 2HA GLY 10 9.721 -6.213 -0.349 45 HA3 GLY 10 1HA GLY 10 8.248 -6.819 0.401 46 H GLY 11 H GLY 11 6.639 -4.811 -1.092 47 HA2 GLY 11 2HA GLY 11 6.379 -4.389 -3.518 48 HA3 GLY 11 1HA GLY 11 6.797 -6.075 -3.752 49 H THR 12 H THR 12 4.782 -6.020 -1.045 50 HA THR 12 HA THR 12 2.344 -5.914 -2.554 51 HB THR 12 HB THR 12 3.134 -8.382 -0.972 52 HG1 THR 12 1HG THR 12 3.662 -7.655 -3.581 53 HG21 THR 12 3HG2 THR 12 1.224 -9.414 -2.166 54 HG22 THR 12 1HG2 THR 12 0.893 -7.861 -2.930 55 HG23 THR 12 2HG2 THR 12 0.733 -8.038 -1.179 56 H CYS 13 H CYS 13 0.600 -6.065 -1.022 57 HA CYS 13 HA CYS 13 1.266 -5.093 1.685 58 HB2 CYS 13 2HB CYS 13 -1.325 -4.719 0.158 59 HB3 CYS 13 1HB CYS 13 -0.856 -3.939 1.662 60 H ASN 14 H ASN 14 -0.466 -5.778 3.349 61 HA ASN 14 HA ASN 14 -0.938 -8.609 3.023 62 HB2 ASN 14 2HB ASN 14 -1.463 -6.732 5.337 63 HB3 ASN 14 1HB ASN 14 -1.845 -8.449 5.371 64 HD21 ASN 14 1HD2 ASN 14 0.652 -6.095 5.299 65 HD22 ASN 14 2HD2 ASN 14 1.963 -7.115 5.787 66 H THR 15 H THR 15 -2.783 -5.646 3.258 67 HA THR 15 HA THR 15 -5.320 -6.985 3.153 68 HB THR 15 HB THR 15 -4.686 -4.090 2.577 69 HG1 THR 15 1HG THR 15 -3.800 -4.436 4.489 70 HG21 THR 15 3HG2 THR 15 -6.988 -4.824 2.074 71 HG22 THR 15 1HG2 THR 15 -6.956 -3.713 3.443 72 HG23 THR 15 2HG2 THR 15 -7.144 -5.443 3.717 73 HA PRO 16 HA PRO 16 -5.007 -7.400 -1.320 74 HB2 PRO 16 2HB PRO 16 -7.800 -8.284 -1.163 75 HB3 PRO 16 1HB PRO 16 -6.375 -9.163 -1.749 76 HG2 PRO 16 2HG PRO 16 -7.576 -9.816 0.562 77 HG3 PRO 16 1HG PRO 16 -5.816 -9.910 0.370 78 HD2 PRO 16 2HD PRO 16 -7.464 -7.778 1.684 79 HD3 PRO 16 1HD PRO 16 -5.951 -8.554 2.227 80 H GLY 17 H GLY 17 -6.754 -5.525 0.343 81 HA2 GLY 17 2HA GLY 17 -8.151 -4.103 -1.854 82 HA3 GLY 17 1HA GLY 17 -8.370 -3.725 -0.143 83 H CYS 18 H CYS 18 -5.253 -4.055 -0.177 84 HA CYS 18 HA CYS 18 -4.737 -1.254 -0.807 85 HB2 CYS 18 2HB CYS 18 -3.186 -3.095 1.057 86 HB3 CYS 18 1HB CYS 18 -2.939 -1.389 0.758 87 H THR 19 H THR 19 -3.410 -0.769 -2.242 88 HA THR 19 HA THR 19 -2.106 -2.897 -3.778 89 HB THR 19 HB THR 19 -2.729 -0.107 -4.630 90 HG1 THR 19 1HG THR 19 -4.298 -2.502 -4.894 91 HG21 THR 19 3HG2 THR 19 -2.663 -1.091 -6.905 92 HG22 THR 19 1HG2 THR 19 -2.296 -2.664 -6.196 93 HG23 THR 19 2HG2 THR 19 -1.147 -1.336 -6.036 94 H CYS 20 H CYS 20 0.016 -2.501 -4.376 95 HA CYS 20 HA CYS 20 1.454 -0.908 -2.508 96 HB2 CYS 20 2HB CYS 20 2.142 -3.168 -3.056 97 HB3 CYS 20 1HB CYS 20 2.376 -2.671 -4.733 98 H SER 21 H SER 21 1.979 1.042 -2.859 99 HA SER 21 HA SER 21 2.653 1.951 -5.532 100 HB2 SER 21 2HB SER 21 0.498 2.966 -4.623 101 HB3 SER 21 1HB SER 21 1.417 3.559 -3.247 102 HG SER 21 HG SER 21 1.970 4.226 -5.946 103 H TRP 22 H TRP 22 4.669 1.001 -4.873 104 HA TRP 22 HA TRP 22 5.852 0.928 -2.563 105 HB2 TRP 22 2HB TRP 22 6.477 -0.208 -4.648 106 HB3 TRP 22 1HB TRP 22 7.378 1.236 -5.138 107 HD1 TRP 22 HD TRP 22 7.504 -1.788 -2.868 108 HE1 TRP 22 1HE TRP 22 9.828 -2.023 -1.813 109 HE3 TRP 22 3HE TRP 22 9.490 2.656 -4.343 110 HZ2 TRP 22 2HZ TRP 22 12.205 -0.484 -1.611 111 HZ3 TRP 22 3HZ TRP 22 11.782 3.204 -3.683 112 HH2 TRP 22 HH TRP 22 13.114 1.657 -2.342 113 HA PRO 23 HA PRO 23 7.304 0.875 -1.442 114 HB2 PRO 23 2HB PRO 23 8.165 2.137 0.987 115 HB3 PRO 23 1HB PRO 23 9.138 1.246 -0.188 116 HG2 PRO 23 2HG PRO 23 9.410 3.936 0.241 117 HG3 PRO 23 1HG PRO 23 9.780 3.120 -1.285 118 HD2 PRO 23 2HD PRO 23 7.245 4.579 -0.552 119 HD3 PRO 23 1HD PRO 23 8.230 4.722 -2.030 120 H VAL 24 H VAL 24 4.829 2.931 -1.168 121 HA VAL 24 HA VAL 24 4.011 1.851 1.386 122 HB VAL 24 HB VAL 24 2.543 3.810 1.686 123 HG11 VAL 24 1HG1 VAL 24 5.483 4.362 1.362 124 HG12 VAL 24 2HG1 VAL 24 4.674 3.753 2.810 125 HG13 VAL 24 3HG1 VAL 24 4.358 5.393 2.238 126 HG21 VAL 24 3HG2 VAL 24 4.015 4.912 -0.707 127 HG22 VAL 24 1HG2 VAL 24 2.953 5.843 0.349 128 HG23 VAL 24 2HG2 VAL 24 2.296 4.528 -0.625 129 H CYS 25 H CYS 25 1.726 1.217 1.711 130 HA CYS 25 HA CYS 25 0.515 0.414 -0.709 131 HB2 CYS 25 2HB CYS 25 -0.214 0.120 2.178 132 HB3 CYS 25 1HB CYS 25 -1.079 -0.592 0.901 133 H THR 26 H THR 26 -1.478 1.006 -1.347 134 HA THR 26 HA THR 26 -2.844 3.269 -0.092 135 HB THR 26 HB THR 26 -3.465 3.867 -2.484 136 HG1 THR 26 1HG THR 26 -1.163 2.305 -3.070 137 HG21 THR 26 3HG2 THR 26 -1.381 5.167 -2.890 138 HG22 THR 26 1HG2 THR 26 -0.571 4.180 -1.669 139 HG23 THR 26 2HG2 THR 26 -1.893 5.240 -1.198 140 H ARG 27 H ARG 27 -5.250 3.154 -1.639 141 HA ARG 27 HA ARG 27 -5.759 0.419 -1.611 142 HB2 ARG 27 2HB ARG 27 -8.085 1.261 -0.928 143 HB3 ARG 27 1HB ARG 27 -6.853 0.919 0.305 144 HG2 ARG 27 2HG ARG 27 -7.914 2.911 0.967 145 HG3 ARG 27 1HG ARG 27 -6.400 3.404 0.223 146 HD2 ARG 27 2HD ARG 27 -7.703 3.809 -1.884 147 HD3 ARG 27 1HD ARG 27 -9.169 3.563 -0.928 148 HE ARG 27 HE ARG 27 -7.415 5.388 0.293 149 HH11 ARG 27 1HH1 ARG 27 -9.931 5.182 -2.186 150 HH12 ARG 27 2HH1 ARG 27 -10.221 6.866 -2.205 151 HH21 ARG 27 1HH2 ARG 27 -7.859 7.689 0.269 152 HH22 ARG 27 2HH2 ARG 27 -9.031 8.303 -0.809 153 H ASN 28 H ASN 28 -7.614 -0.026 -2.800 154 HA ASN 28 HA ASN 28 -8.038 1.761 -5.110 155 HB2 ASN 28 2HB ASN 28 -7.773 -0.012 -6.713 156 HB3 ASN 28 1HB ASN 28 -6.361 -0.080 -5.669 157 HD21 ASN 28 1HD2 ASN 28 -6.250 -1.780 -4.149 158 HD22 ASN 28 2HD2 ASN 28 -7.132 -3.252 -4.390 159 H GLY 29 H GLY 29 -10.117 1.909 -5.716 160 HA2 GLY 29 2HA GLY 29 -12.382 1.608 -5.739 161 HA3 GLY 29 1HA GLY 29 -12.050 -0.104 -5.524 162 H LEU 30 H LEU 30 -10.943 2.159 -3.161 163 HA LEU 30 HA LEU 30 -13.008 1.132 -1.417 164 HB2 LEU 30 2HB LEU 30 -10.102 1.491 -0.879 165 HB3 LEU 30 1HB LEU 30 -11.250 1.514 0.444 166 HG LEU 30 HG LEU 30 -11.017 -0.708 -1.521 167 HD11 LEU 30 1HD1 LEU 30 -9.856 -0.454 1.281 168 HD12 LEU 30 2HD1 LEU 30 -8.923 -0.552 -0.216 169 HD13 LEU 30 3HD1 LEU 30 -9.854 -1.940 0.336 170 HD21 LEU 30 3HD2 LEU 30 -12.232 -1.985 0.213 171 HD22 LEU 30 1HD2 LEU 30 -13.166 -0.649 -0.459 172 HD23 LEU 30 2HD2 LEU 30 -12.417 -0.490 1.128 173 HA PRO 31 HA PRO 31 -14.023 5.293 -0.414 174 HB2 PRO 31 2HB PRO 31 -14.746 4.452 2.269 175 HB3 PRO 31 1HB PRO 31 -15.809 4.964 0.964 176 HG2 PRO 31 2HG PRO 31 -15.644 2.380 1.915 177 HG3 PRO 31 1HG PRO 31 -16.237 2.830 0.313 178 HD2 PRO 31 2HD PRO 31 -13.622 1.603 1.054 179 HD3 PRO 31 1HD PRO 31 -14.537 1.532 -0.437 180 H VAL 32 H VAL 32 -13.427 6.953 1.140 181 HA VAL 32 HA VAL 32 -10.708 6.584 1.908 182 HB VAL 32 HB VAL 32 -12.430 8.903 2.669 183 HG11 VAL 32 1HG1 VAL 32 -10.325 8.844 3.814 184 HG12 VAL 32 2HG1 VAL 32 -10.292 10.166 2.646 185 HG13 VAL 32 3HG1 VAL 32 -9.454 8.655 2.294 186 HG21 VAL 32 3HG2 VAL 32 -10.884 8.561 0.104 187 HG22 VAL 32 1HG2 VAL 32 -11.664 10.059 0.614 188 HG23 VAL 32 2HG2 VAL 32 -12.639 8.629 0.261 189 H THR 33 H THR 33 -10.248 5.576 3.585 190 HA THR 33 HA THR 33 -11.301 6.277 6.134 191 HB THR 33 HB THR 33 -12.911 4.546 5.474 192 HG1 THR 33 1HG THR 33 -12.821 3.346 7.273 193 HG21 THR 33 3HG2 THR 33 -11.605 3.276 3.853 194 HG22 THR 33 1HG2 THR 33 -12.218 2.187 5.100 195 HG23 THR 33 2HG2 THR 33 -10.533 2.704 5.130 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -8.207 7.765 4.471 2 HA2 GLY 1 2HA GLY 1 -7.111 9.846 6.168 3 HA3 GLY 1 1HA GLY 1 -6.322 8.272 6.272 4 H GLY 2 H GLY 2 -4.408 9.199 5.407 5 HA2 GLY 2 2HA GLY 2 -4.307 10.479 2.885 6 HA3 GLY 2 1HA GLY 2 -2.947 9.763 3.738 7 H GLY 3 H GLY 3 -3.917 7.135 3.879 8 HA2 GLY 3 2HA GLY 3 -4.705 6.131 1.352 9 HA3 GLY 3 1HA GLY 3 -2.961 5.975 1.583 10 H CYS 4 H CYS 4 -2.599 3.891 2.102 11 HA CYS 4 HA CYS 4 -4.252 2.770 4.219 12 HB2 CYS 4 2HB CYS 4 -2.514 1.455 2.119 13 HB3 CYS 4 1HB CYS 4 -3.141 0.575 3.495 14 H GLY 5 H GLY 5 -2.955 1.355 5.770 15 HA2 GLY 5 2HA GLY 5 -0.825 3.108 6.706 16 HA3 GLY 5 1HA GLY 5 -1.688 1.907 7.656 17 H GLU 6 H GLU 6 -1.174 0.099 5.181 18 HA GLU 6 HA GLU 6 1.315 -0.826 6.307 19 HB2 GLU 6 2HB GLU 6 0.905 -2.924 4.922 20 HB3 GLU 6 1HB GLU 6 -0.208 -2.624 6.237 21 HG2 GLU 6 2HG GLU 6 -0.856 -1.869 3.399 22 HG3 GLU 6 1HG GLU 6 -1.146 -3.487 4.026 23 H THR 7 H THR 7 3.171 -1.301 5.116 24 HA THR 7 HA THR 7 3.327 0.225 2.666 25 HB THR 7 HB THR 7 5.768 0.214 3.279 26 HG1 THR 7 1HG THR 7 5.014 -0.256 5.931 27 HG21 THR 7 3HG2 THR 7 4.252 2.139 3.652 28 HG22 THR 7 1HG2 THR 7 5.506 2.043 4.893 29 HG23 THR 7 2HG2 THR 7 3.868 1.496 5.243 30 H CYS 8 H CYS 8 4.796 -0.673 1.020 31 HA CYS 8 HA CYS 8 4.934 -3.602 1.121 32 HB2 CYS 8 2HB CYS 8 4.448 -3.543 -1.280 33 HB3 CYS 8 1HB CYS 8 3.132 -3.011 -0.232 34 H VAL 9 H VAL 9 6.911 -1.890 1.834 35 HA VAL 9 HA VAL 9 8.748 -1.090 -0.143 36 HB VAL 9 HB VAL 9 9.539 -2.077 2.617 37 HG11 VAL 9 1HG1 VAL 9 11.424 -1.781 1.129 38 HG12 VAL 9 2HG1 VAL 9 11.433 -0.554 2.397 39 HG13 VAL 9 3HG1 VAL 9 10.904 -0.136 0.766 40 HG21 VAL 9 3HG2 VAL 9 9.313 0.218 3.383 41 HG22 VAL 9 1HG2 VAL 9 7.770 -0.377 2.774 42 HG23 VAL 9 2HG2 VAL 9 8.747 0.710 1.789 43 H GLY 10 H GLY 10 8.267 -4.217 1.361 44 HA2 GLY 10 2HA GLY 10 10.540 -5.336 -0.084 45 HA3 GLY 10 1HA GLY 10 9.604 -6.143 1.163 46 H GLY 11 H GLY 11 7.520 -4.640 -1.057 47 HA2 GLY 11 2HA GLY 11 7.457 -5.995 -3.319 48 HA3 GLY 11 1HA GLY 11 6.965 -7.251 -2.198 49 H THR 12 H THR 12 4.925 -6.783 -0.876 50 HA THR 12 HA THR 12 3.069 -5.033 -2.152 51 HB THR 12 HB THR 12 2.632 -8.026 -2.153 52 HG1 THR 12 1HG THR 12 3.533 -6.400 -4.341 53 HG21 THR 12 3HG2 THR 12 0.888 -7.498 -3.823 54 HG22 THR 12 1HG2 THR 12 1.266 -5.786 -3.643 55 HG23 THR 12 2HG2 THR 12 0.608 -6.698 -2.278 56 H CYS 13 H CYS 13 1.055 -5.261 -0.894 57 HA CYS 13 HA CYS 13 1.529 -6.143 1.842 58 HB2 CYS 13 2HB CYS 13 -0.651 -4.360 0.720 59 HB3 CYS 13 1HB CYS 13 -0.465 -4.798 2.411 60 H ASN 14 H ASN 14 -0.299 -7.194 2.928 61 HA ASN 14 HA ASN 14 -1.365 -9.274 1.197 62 HB2 ASN 14 2HB ASN 14 -1.233 -9.070 4.216 63 HB3 ASN 14 1HB ASN 14 -1.908 -10.440 3.342 64 HD21 ASN 14 1HD2 ASN 14 1.003 -8.749 4.229 65 HD22 ASN 14 2HD2 ASN 14 2.105 -9.960 3.709 66 H THR 15 H THR 15 -2.388 -6.444 2.756 67 HA THR 15 HA THR 15 -5.107 -7.090 3.149 68 HB THR 15 HB THR 15 -3.879 -4.364 2.682 69 HG1 THR 15 1HG THR 15 -3.413 -4.384 4.892 70 HG21 THR 15 3HG2 THR 15 -5.652 -3.629 4.230 71 HG22 THR 15 1HG2 THR 15 -6.218 -5.293 4.379 72 HG23 THR 15 2HG2 THR 15 -6.349 -4.451 2.834 73 HA PRO 16 HA PRO 16 -5.807 -7.067 -1.276 74 HB2 PRO 16 2HB PRO 16 -8.432 -7.818 -1.261 75 HB3 PRO 16 1HB PRO 16 -7.084 -8.937 -1.044 76 HG2 PRO 16 2HG PRO 16 -8.891 -7.750 1.012 77 HG3 PRO 16 1HG PRO 16 -8.173 -9.364 0.946 78 HD2 PRO 16 2HD PRO 16 -7.256 -7.299 2.517 79 HD3 PRO 16 1HD PRO 16 -6.266 -8.672 1.987 80 H GLY 17 H GLY 17 -7.084 -5.175 0.805 81 HA2 GLY 17 2HA GLY 17 -8.674 -3.502 -1.042 82 HA3 GLY 17 1HA GLY 17 -8.522 -3.196 0.686 83 H CYS 18 H CYS 18 -5.480 -3.705 0.104 84 HA CYS 18 HA CYS 18 -4.973 -0.967 -0.749 85 HB2 CYS 18 2HB CYS 18 -3.573 -2.568 1.403 86 HB3 CYS 18 1HB CYS 18 -3.146 -0.957 0.845 87 H THR 19 H THR 19 -3.724 -0.743 -2.330 88 HA THR 19 HA THR 19 -2.400 -3.035 -3.579 89 HB THR 19 HB THR 19 -2.986 -0.308 -4.678 90 HG1 THR 19 1HG THR 19 -4.611 -2.666 -4.782 91 HG21 THR 19 3HG2 THR 19 -2.998 -1.520 -6.857 92 HG22 THR 19 1HG2 THR 19 -2.624 -3.016 -6.004 93 HG23 THR 19 2HG2 THR 19 -1.453 -1.697 -6.022 94 H CYS 20 H CYS 20 -0.196 -2.564 -4.476 95 HA CYS 20 HA CYS 20 1.264 -0.939 -2.614 96 HB2 CYS 20 2HB CYS 20 2.001 -3.195 -3.060 97 HB3 CYS 20 1HB CYS 20 2.146 -2.803 -4.773 98 H SER 21 H SER 21 1.703 1.045 -3.046 99 HA SER 21 HA SER 21 2.570 1.755 -5.728 100 HB2 SER 21 2HB SER 21 0.348 2.871 -5.069 101 HB3 SER 21 1HB SER 21 1.209 3.619 -3.727 102 HG SER 21 HG SER 21 1.464 4.049 -6.491 103 H TRP 22 H TRP 22 4.507 0.912 -4.926 104 HA TRP 22 HA TRP 22 5.660 0.983 -2.625 105 HB2 TRP 22 2HB TRP 22 6.405 -0.153 -4.652 106 HB3 TRP 22 1HB TRP 22 7.162 1.345 -5.210 107 HD1 TRP 22 HD TRP 22 7.603 -1.579 -2.853 108 HE1 TRP 22 1HE TRP 22 9.968 -1.532 -1.821 109 HE3 TRP 22 3HE TRP 22 9.113 3.007 -4.483 110 HZ2 TRP 22 2HZ TRP 22 12.147 0.209 -1.696 111 HZ3 TRP 22 3HZ TRP 22 11.360 3.797 -3.871 112 HH2 TRP 22 HH TRP 22 12.852 2.419 -2.503 113 HA PRO 23 HA PRO 23 7.190 1.040 -1.538 114 HB2 PRO 23 2HB PRO 23 7.913 2.372 0.889 115 HB3 PRO 23 1HB PRO 23 8.982 1.595 -0.287 116 HG2 PRO 23 2HG PRO 23 8.936 4.299 0.179 117 HG3 PRO 23 1HG PRO 23 9.427 3.553 -1.350 118 HD2 PRO 23 2HD PRO 23 6.743 4.711 -0.626 119 HD3 PRO 23 1HD PRO 23 7.709 4.961 -2.102 120 H VAL 24 H VAL 24 4.585 2.979 -1.129 121 HA VAL 24 HA VAL 24 3.852 1.721 1.379 122 HB VAL 24 HB VAL 24 2.316 3.564 1.801 123 HG11 VAL 24 1HG1 VAL 24 4.582 3.799 2.684 124 HG12 VAL 24 2HG1 VAL 24 3.950 5.369 2.206 125 HG13 VAL 24 3HG1 VAL 24 5.101 4.534 1.170 126 HG21 VAL 24 3HG2 VAL 24 1.752 4.182 -0.483 127 HG22 VAL 24 1HG2 VAL 24 3.389 4.783 -0.740 128 HG23 VAL 24 2HG2 VAL 24 2.321 5.594 0.409 129 H CYS 25 H CYS 25 1.457 1.035 1.598 130 HA CYS 25 HA CYS 25 0.455 0.492 -0.984 131 HB2 CYS 25 2HB CYS 25 -0.056 -0.541 1.744 132 HB3 CYS 25 1HB CYS 25 -1.172 -0.808 0.445 133 H THR 26 H THR 26 -1.474 1.043 -1.562 134 HA THR 26 HA THR 26 -2.796 3.134 -0.035 135 HB THR 26 HB THR 26 -3.304 4.088 -2.302 136 HG1 THR 26 1HG THR 26 -1.315 3.704 -3.688 137 HG21 THR 26 3HG2 THR 26 -0.566 4.230 -1.054 138 HG22 THR 26 1HG2 THR 26 -1.948 5.228 -0.656 139 HG23 THR 26 2HG2 THR 26 -1.143 5.430 -2.223 140 H ARG 27 H ARG 27 -4.920 3.573 -1.920 141 HA ARG 27 HA ARG 27 -6.322 1.272 -1.108 142 HB2 ARG 27 2HB ARG 27 -7.085 4.053 -1.802 143 HB3 ARG 27 1HB ARG 27 -8.231 2.813 -1.349 144 HG2 ARG 27 2HG ARG 27 -7.256 2.699 0.870 145 HG3 ARG 27 1HG ARG 27 -5.992 3.835 0.394 146 HD2 ARG 27 2HD ARG 27 -8.950 4.414 0.508 147 HD3 ARG 27 1HD ARG 27 -7.742 4.943 1.677 148 HE ARG 27 HE ARG 27 -7.702 5.768 -1.150 149 HH11 ARG 27 1HH1 ARG 27 -7.413 6.589 2.240 150 HH12 ARG 27 2HH1 ARG 27 -7.106 8.246 2.002 151 HH21 ARG 27 1HH2 ARG 27 -7.324 8.061 -1.538 152 HH22 ARG 27 2HH2 ARG 27 -7.070 9.112 -0.234 153 H ASN 28 H ASN 28 -7.612 0.426 -2.478 154 HA ASN 28 HA ASN 28 -7.996 1.505 -5.177 155 HB2 ASN 28 2HB ASN 28 -7.816 -0.603 -6.324 156 HB3 ASN 28 1HB ASN 28 -6.425 -0.555 -5.264 157 HD21 ASN 28 1HD2 ASN 28 -6.389 -1.988 -3.499 158 HD22 ASN 28 2HD2 ASN 28 -7.393 -3.394 -3.433 159 H GLY 29 H GLY 29 -10.010 2.096 -5.268 160 HA2 GLY 29 2HA GLY 29 -12.322 1.847 -5.313 161 HA3 GLY 29 1HA GLY 29 -12.139 0.263 -4.579 162 H LEU 30 H LEU 30 -10.560 1.228 -2.392 163 HA LEU 30 HA LEU 30 -12.558 1.678 -0.529 164 HB2 LEU 30 2HB LEU 30 -9.584 1.823 -0.332 165 HB3 LEU 30 1HB LEU 30 -10.585 2.229 1.044 166 HG LEU 30 HG LEU 30 -10.696 -0.364 -0.421 167 HD11 LEU 30 1HD1 LEU 30 -9.445 -1.268 1.544 168 HD12 LEU 30 2HD1 LEU 30 -9.306 0.369 2.182 169 HD13 LEU 30 3HD1 LEU 30 -8.497 -0.065 0.675 170 HD21 LEU 30 3HD2 LEU 30 -11.824 0.473 2.245 171 HD22 LEU 30 1HD2 LEU 30 -11.880 -1.156 1.581 172 HD23 LEU 30 2HD2 LEU 30 -12.742 0.143 0.773 173 HA PRO 31 HA PRO 31 -13.155 5.978 -0.360 174 HB2 PRO 31 2HB PRO 31 -14.119 6.209 2.155 175 HB3 PRO 31 1HB PRO 31 -15.048 5.465 0.851 176 HG2 PRO 31 2HG PRO 31 -13.598 4.206 3.100 177 HG3 PRO 31 1HG PRO 31 -15.077 3.683 2.280 178 HD2 PRO 31 2HD PRO 31 -12.509 2.660 1.853 179 HD3 PRO 31 1HD PRO 31 -13.852 2.406 0.766 180 H VAL 32 H VAL 32 -12.554 7.909 0.800 181 HA VAL 32 HA VAL 32 -9.800 7.671 1.610 182 HB VAL 32 HB VAL 32 -11.478 10.098 1.530 183 HG11 VAL 32 1HG1 VAL 32 -9.396 10.396 2.689 184 HG12 VAL 32 2HG1 VAL 32 -9.337 11.283 1.164 185 HG13 VAL 32 3HG1 VAL 32 -8.501 9.736 1.320 186 HG21 VAL 32 3HG2 VAL 32 -11.644 9.107 -0.671 187 HG22 VAL 32 1HG2 VAL 32 -9.892 8.932 -0.760 188 HG23 VAL 32 2HG2 VAL 32 -10.619 10.538 -0.774 189 H THR 33 H THR 33 -9.799 6.890 3.544 190 HA THR 33 HA THR 33 -11.304 8.132 5.732 191 HB THR 33 HB THR 33 -9.476 5.727 5.932 192 HG1 THR 33 1HG THR 33 -12.233 5.901 5.225 193 HG21 THR 33 3HG2 THR 33 -10.921 5.147 7.839 194 HG22 THR 33 1HG2 THR 33 -11.885 6.597 7.555 195 HG23 THR 33 2HG2 THR 33 -10.204 6.743 8.066 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -8.460 8.126 6.584 2 HA2 GLY 1 2HA GLY 1 -6.331 7.506 7.297 3 HA3 GLY 1 1HA GLY 1 -6.526 5.966 6.473 4 H GLY 2 H GLY 2 -7.553 8.084 4.303 5 HA2 GLY 2 2HA GLY 2 -6.539 9.280 2.577 6 HA3 GLY 2 1HA GLY 2 -4.961 8.840 3.232 7 H GLY 3 H GLY 3 -4.230 6.769 2.992 8 HA2 GLY 3 2HA GLY 3 -5.380 5.321 0.719 9 HA3 GLY 3 1HA GLY 3 -3.654 5.378 1.068 10 H CYS 4 H CYS 4 -2.777 3.940 2.441 11 HA CYS 4 HA CYS 4 -4.477 2.490 4.287 12 HB2 CYS 4 2HB CYS 4 -2.637 1.210 2.241 13 HB3 CYS 4 1HB CYS 4 -3.198 0.365 3.669 14 H GLY 5 H GLY 5 -3.247 1.679 6.086 15 HA2 GLY 5 2HA GLY 5 -0.822 3.222 6.537 16 HA3 GLY 5 1HA GLY 5 -1.674 2.255 7.735 17 H GLU 6 H GLU 6 -1.303 0.721 4.867 18 HA GLU 6 HA GLU 6 0.562 -1.226 5.924 19 HB2 GLU 6 2HB GLU 6 -1.031 -1.031 3.371 20 HB3 GLU 6 1HB GLU 6 0.040 -2.366 3.751 21 HG2 GLU 6 2HG GLU 6 -2.216 -1.627 5.561 22 HG3 GLU 6 1HG GLU 6 -2.458 -2.569 4.085 23 H THR 7 H THR 7 2.527 -1.718 4.792 24 HA THR 7 HA THR 7 3.281 0.140 2.723 25 HB THR 7 HB THR 7 5.587 -0.329 3.570 26 HG1 THR 7 1HG THR 7 4.200 -0.804 6.024 27 HG21 THR 7 3HG2 THR 7 5.528 1.542 5.223 28 HG22 THR 7 1HG2 THR 7 3.768 1.426 5.219 29 HG23 THR 7 2HG2 THR 7 4.625 1.878 3.745 30 H CYS 8 H CYS 8 4.784 -0.860 1.157 31 HA CYS 8 HA CYS 8 4.605 -3.776 1.167 32 HB2 CYS 8 2HB CYS 8 4.083 -3.665 -1.195 33 HB3 CYS 8 1HB CYS 8 2.834 -2.998 -0.146 34 H VAL 9 H VAL 9 6.724 -2.278 1.886 35 HA VAL 9 HA VAL 9 8.618 -1.575 -0.077 36 HB VAL 9 HB VAL 9 9.361 -2.796 2.591 37 HG11 VAL 9 1HG1 VAL 9 10.777 -0.762 0.884 38 HG12 VAL 9 2HG1 VAL 9 11.238 -2.449 1.108 39 HG13 VAL 9 3HG1 VAL 9 11.313 -1.326 2.466 40 HG21 VAL 9 3HG2 VAL 9 9.270 -0.544 3.551 41 HG22 VAL 9 1HG2 VAL 9 7.683 -1.077 3.002 42 HG23 VAL 9 2HG2 VAL 9 8.609 0.072 2.037 43 H GLY 10 H GLY 10 7.696 -4.651 1.191 44 HA2 GLY 10 2HA GLY 10 9.898 -6.148 0.095 45 HA3 GLY 10 1HA GLY 10 8.446 -6.796 0.842 46 H GLY 11 H GLY 11 6.926 -4.968 -1.214 47 HA2 GLY 11 2HA GLY 11 7.138 -5.305 -3.735 48 HA3 GLY 11 1HA GLY 11 7.071 -7.007 -3.327 49 H THR 12 H THR 12 4.929 -6.519 -1.192 50 HA THR 12 HA THR 12 2.728 -5.583 -2.738 51 HB THR 12 HB THR 12 2.756 -8.467 -1.784 52 HG1 THR 12 1HG THR 12 3.621 -7.304 -4.159 53 HG21 THR 12 3HG2 THR 12 0.774 -8.704 -3.233 54 HG22 THR 12 1HG2 THR 12 0.913 -7.007 -3.692 55 HG23 THR 12 2HG2 THR 12 0.534 -7.441 -2.025 56 H CYS 13 H CYS 13 0.881 -5.599 -1.355 57 HA CYS 13 HA CYS 13 1.584 -5.024 1.405 58 HB2 CYS 13 2HB CYS 13 -1.094 -4.726 0.050 59 HB3 CYS 13 1HB CYS 13 -0.547 -3.993 1.558 60 H ASN 14 H ASN 14 0.044 -5.815 3.128 61 HA ASN 14 HA ASN 14 -0.483 -8.608 2.695 62 HB2 ASN 14 2HB ASN 14 -0.781 -6.913 5.177 63 HB3 ASN 14 1HB ASN 14 -1.131 -8.633 5.121 64 HD21 ASN 14 1HD2 ASN 14 1.117 -9.193 3.326 65 HD22 ASN 14 2HD2 ASN 14 2.536 -9.089 4.275 66 H THR 15 H THR 15 -2.316 -5.775 3.668 67 HA THR 15 HA THR 15 -4.854 -7.018 3.433 68 HB THR 15 HB THR 15 -4.141 -4.074 3.222 69 HG1 THR 15 1HG THR 15 -3.288 -4.868 5.120 70 HG21 THR 15 3HG2 THR 15 -6.684 -5.451 4.137 71 HG22 THR 15 1HG2 THR 15 -6.475 -4.610 2.600 72 HG23 THR 15 2HG2 THR 15 -6.405 -3.711 4.115 73 HA PRO 16 HA PRO 16 -4.628 -7.159 -1.048 74 HB2 PRO 16 2HB PRO 16 -6.969 -8.387 -1.574 75 HB3 PRO 16 1HB PRO 16 -5.591 -9.234 -0.851 76 HG2 PRO 16 2HG PRO 16 -8.005 -8.075 0.500 77 HG3 PRO 16 1HG PRO 16 -7.239 -9.652 0.752 78 HD2 PRO 16 2HD PRO 16 -6.811 -7.529 2.393 79 HD3 PRO 16 1HD PRO 16 -5.579 -8.773 2.090 80 H GLY 17 H GLY 17 -6.551 -5.422 0.600 81 HA2 GLY 17 2HA GLY 17 -8.071 -4.189 -1.603 82 HA3 GLY 17 1HA GLY 17 -8.241 -3.740 0.096 83 H CYS 18 H CYS 18 -5.087 -3.911 -0.207 84 HA CYS 18 HA CYS 18 -4.881 -1.099 -0.878 85 HB2 CYS 18 2HB CYS 18 -3.146 -2.769 0.957 86 HB3 CYS 18 1HB CYS 18 -2.968 -1.053 0.599 87 H THR 19 H THR 19 -3.695 -0.523 -2.454 88 HA THR 19 HA THR 19 -2.409 -2.491 -4.168 89 HB THR 19 HB THR 19 -2.627 0.455 -4.554 90 HG1 THR 19 1HG THR 19 -4.573 -1.587 -5.067 91 HG21 THR 19 3HG2 THR 19 -1.257 -0.784 -6.173 92 HG22 THR 19 1HG2 THR 19 -2.703 -0.140 -6.956 93 HG23 THR 19 2HG2 THR 19 -2.624 -1.843 -6.520 94 H CYS 20 H CYS 20 -0.206 -2.253 -4.704 95 HA CYS 20 HA CYS 20 1.315 -0.930 -2.659 96 HB2 CYS 20 2HB CYS 20 1.852 -3.199 -3.253 97 HB3 CYS 20 1HB CYS 20 2.165 -2.681 -4.915 98 H SER 21 H SER 21 1.411 1.143 -3.020 99 HA SER 21 HA SER 21 2.520 2.085 -5.536 100 HB2 SER 21 2HB SER 21 1.878 4.346 -4.373 101 HB3 SER 21 1HB SER 21 0.579 3.366 -5.070 102 HG SER 21 HG SER 21 1.432 3.182 -2.382 103 H TRP 22 H TRP 22 4.350 0.894 -4.713 104 HA TRP 22 HA TRP 22 5.558 0.777 -2.449 105 HB2 TRP 22 2HB TRP 22 6.107 -0.423 -4.474 106 HB3 TRP 22 1HB TRP 22 7.005 0.970 -5.088 107 HD1 TRP 22 HD TRP 22 7.281 -2.061 -2.870 108 HE1 TRP 22 1HE TRP 22 9.666 -2.268 -1.931 109 HE3 TRP 22 3HE TRP 22 9.100 2.478 -4.287 110 HZ2 TRP 22 2HZ TRP 22 11.993 -0.707 -1.788 111 HZ3 TRP 22 3HZ TRP 22 11.411 3.048 -3.716 112 HH2 TRP 22 HH TRP 22 12.830 1.490 -2.495 113 HA PRO 23 HA PRO 23 7.037 0.635 -1.349 114 HB2 PRO 23 2HB PRO 23 7.931 1.835 1.090 115 HB3 PRO 23 1HB PRO 23 8.878 0.900 -0.075 116 HG2 PRO 23 2HG PRO 23 9.260 3.575 0.390 117 HG3 PRO 23 1HG PRO 23 9.628 2.761 -1.140 118 HD2 PRO 23 2HD PRO 23 7.160 4.329 -0.420 119 HD3 PRO 23 1HD PRO 23 8.160 4.424 -1.893 120 H VAL 24 H VAL 24 4.781 2.971 -0.966 121 HA VAL 24 HA VAL 24 3.804 1.853 1.525 122 HB VAL 24 HB VAL 24 2.444 3.912 1.801 123 HG11 VAL 24 1HG1 VAL 24 5.418 4.323 1.511 124 HG12 VAL 24 2HG1 VAL 24 4.569 3.767 2.956 125 HG13 VAL 24 3HG1 VAL 24 4.336 5.412 2.371 126 HG21 VAL 24 3HG2 VAL 24 2.265 4.599 -0.522 127 HG22 VAL 24 1HG2 VAL 24 4.004 4.885 -0.589 128 HG23 VAL 24 2HG2 VAL 24 2.987 5.892 0.438 129 H CYS 25 H CYS 25 1.502 1.296 1.712 130 HA CYS 25 HA CYS 25 0.409 0.619 -0.822 131 HB2 CYS 25 2HB CYS 25 -0.444 0.149 1.964 132 HB3 CYS 25 1HB CYS 25 -1.125 -0.558 0.525 133 H THR 26 H THR 26 -1.423 1.391 -1.597 134 HA THR 26 HA THR 26 -2.900 3.447 -0.125 135 HB THR 26 HB THR 26 -3.617 4.016 -2.565 136 HG1 THR 26 1HG THR 26 -0.998 3.161 -3.135 137 HG21 THR 26 3HG2 THR 26 -1.739 5.654 -2.706 138 HG22 THR 26 1HG2 THR 26 -0.897 4.729 -1.458 139 HG23 THR 26 2HG2 THR 26 -2.407 5.536 -1.070 140 H ARG 27 H ARG 27 -5.386 3.445 -1.554 141 HA ARG 27 HA ARG 27 -5.985 0.723 -1.331 142 HB2 ARG 27 2HB ARG 27 -8.220 1.634 -0.586 143 HB3 ARG 27 1HB ARG 27 -6.901 1.518 0.595 144 HG2 ARG 27 2HG ARG 27 -7.965 3.591 0.992 145 HG3 ARG 27 1HG ARG 27 -6.508 3.943 0.079 146 HD2 ARG 27 2HD ARG 27 -7.908 3.999 -1.982 147 HD3 ARG 27 1HD ARG 27 -9.329 3.884 -0.934 148 HE ARG 27 HE ARG 27 -7.798 5.855 0.088 149 HH11 ARG 27 1HH1 ARG 27 -9.370 5.283 -3.009 150 HH12 ARG 27 2HH1 ARG 27 -9.605 6.924 -3.400 151 HH21 ARG 27 1HH2 ARG 27 -8.172 8.138 -0.379 152 HH22 ARG 27 2HH2 ARG 27 -8.914 8.609 -1.832 153 H ASN 28 H ASN 28 -7.728 0.127 -2.417 154 HA ASN 28 HA ASN 28 -8.733 1.791 -4.591 155 HB2 ASN 28 2HB ASN 28 -8.389 0.191 -6.401 156 HB3 ASN 28 1HB ASN 28 -6.850 0.580 -5.672 157 HD21 ASN 28 1HD2 ASN 28 -7.119 -1.349 -3.424 158 HD22 ASN 28 2HD2 ASN 28 -6.987 -2.891 -4.169 159 H GLY 29 H GLY 29 -10.813 1.632 -4.888 160 HA2 GLY 29 2HA GLY 29 -12.977 0.906 -4.706 161 HA3 GLY 29 1HA GLY 29 -12.341 -0.733 -4.613 162 H LEU 30 H LEU 30 -11.541 1.876 -2.412 163 HA LEU 30 HA LEU 30 -13.016 0.475 -0.336 164 HB2 LEU 30 2HB LEU 30 -10.152 1.300 -0.313 165 HB3 LEU 30 1HB LEU 30 -11.043 1.146 1.185 166 HG LEU 30 HG LEU 30 -10.741 -1.031 -0.822 167 HD11 LEU 30 1HD1 LEU 30 -9.258 -0.510 1.771 168 HD12 LEU 30 2HD1 LEU 30 -8.551 -0.488 0.151 169 HD13 LEU 30 3HD1 LEU 30 -9.134 -2.002 0.845 170 HD21 LEU 30 3HD2 LEU 30 -11.447 -2.484 1.061 171 HD22 LEU 30 1HD2 LEU 30 -12.692 -1.345 0.549 172 HD23 LEU 30 2HD2 LEU 30 -11.755 -1.034 2.008 173 HA PRO 31 HA PRO 31 -14.534 4.364 1.208 174 HB2 PRO 31 2HB PRO 31 -13.626 3.604 3.899 175 HB3 PRO 31 1HB PRO 31 -15.266 3.903 3.325 176 HG2 PRO 31 2HG PRO 31 -14.386 1.438 3.950 177 HG3 PRO 31 1HG PRO 31 -15.577 1.733 2.676 178 HD2 PRO 31 2HD PRO 31 -12.681 1.056 2.419 179 HD3 PRO 31 1HD PRO 31 -14.030 0.634 1.380 180 H VAL 32 H VAL 32 -13.851 6.352 1.768 181 HA VAL 32 HA VAL 32 -11.044 6.657 1.754 182 HB VAL 32 HB VAL 32 -11.670 9.099 1.830 183 HG11 VAL 32 1HG1 VAL 32 -12.663 7.395 -0.443 184 HG12 VAL 32 2HG1 VAL 32 -11.007 7.967 -0.227 185 HG13 VAL 32 3HG1 VAL 32 -12.305 9.115 -0.566 186 HG21 VAL 32 3HG2 VAL 32 -13.942 9.713 1.138 187 HG22 VAL 32 1HG2 VAL 32 -13.951 8.887 2.695 188 HG23 VAL 32 2HG2 VAL 32 -14.428 8.026 1.226 189 H THR 33 H THR 33 -10.185 6.078 3.585 190 HA THR 33 HA THR 33 -10.462 7.822 5.793 191 HB THR 33 HB THR 33 -12.264 6.250 6.347 192 HG1 THR 33 1HG THR 33 -11.679 6.113 8.336 193 HG21 THR 33 3HG2 THR 33 -11.850 3.850 6.719 194 HG22 THR 33 1HG2 THR 33 -10.191 4.048 6.149 195 HG23 THR 33 2HG2 THR 33 -11.539 4.297 5.042 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -6.871 7.393 7.385 2 HA2 GLY 1 2HA GLY 1 -5.204 8.905 7.835 3 HA3 GLY 1 1HA GLY 1 -4.025 7.678 7.387 4 H GLY 2 H GLY 2 -3.275 7.563 5.313 5 HA2 GLY 2 2HA GLY 2 -4.167 9.694 3.496 6 HA3 GLY 2 1HA GLY 2 -2.462 9.319 3.732 7 H GLY 3 H GLY 3 -4.765 6.801 3.807 8 HA2 GLY 3 2HA GLY 3 -5.426 5.955 1.418 9 HA3 GLY 3 1HA GLY 3 -3.687 5.652 1.358 10 H CYS 4 H CYS 4 -2.816 4.031 2.527 11 HA CYS 4 HA CYS 4 -4.510 2.531 4.363 12 HB2 CYS 4 2HB CYS 4 -2.728 1.426 2.168 13 HB3 CYS 4 1HB CYS 4 -3.190 0.461 3.551 14 H GLY 5 H GLY 5 -3.268 1.579 6.085 15 HA2 GLY 5 2HA GLY 5 -0.798 3.053 6.599 16 HA3 GLY 5 1HA GLY 5 -1.673 2.053 7.755 17 H GLU 6 H GLU 6 -1.243 0.809 4.706 18 HA GLU 6 HA GLU 6 0.489 -1.316 5.657 19 HB2 GLU 6 2HB GLU 6 -1.264 -0.890 3.269 20 HB3 GLU 6 1HB GLU 6 -0.122 -2.227 3.357 21 HG2 GLU 6 2HG GLU 6 -2.185 -1.734 5.454 22 HG3 GLU 6 1HG GLU 6 -2.524 -2.636 3.971 23 H THR 7 H THR 7 2.444 -1.822 4.562 24 HA THR 7 HA THR 7 3.306 0.096 2.601 25 HB THR 7 HB THR 7 5.547 -0.464 3.473 26 HG1 THR 7 1HG THR 7 5.291 -0.923 5.935 27 HG21 THR 7 3HG2 THR 7 3.675 1.120 5.225 28 HG22 THR 7 1HG2 THR 7 4.617 1.719 3.864 29 HG23 THR 7 2HG2 THR 7 5.432 1.212 5.346 30 H CYS 8 H CYS 8 4.737 -0.885 0.994 31 HA CYS 8 HA CYS 8 4.456 -3.791 0.874 32 HB2 CYS 8 2HB CYS 8 4.015 -3.550 -1.504 33 HB3 CYS 8 1HB CYS 8 2.769 -2.879 -0.453 34 H VAL 9 H VAL 9 6.597 -2.391 1.744 35 HA VAL 9 HA VAL 9 8.577 -1.754 -0.171 36 HB VAL 9 HB VAL 9 9.151 -2.895 2.578 37 HG11 VAL 9 1HG1 VAL 9 11.213 -1.593 2.458 38 HG12 VAL 9 2HG1 VAL 9 10.774 -1.047 0.841 39 HG13 VAL 9 3HG1 VAL 9 11.104 -2.753 1.132 40 HG21 VAL 9 3HG2 VAL 9 7.576 -1.041 2.777 41 HG22 VAL 9 1HG2 VAL 9 8.649 -0.022 1.819 42 HG23 VAL 9 2HG2 VAL 9 9.163 -0.599 3.406 43 H GLY 10 H GLY 10 7.682 -4.767 1.366 44 HA2 GLY 10 2HA GLY 10 9.815 -6.293 0.193 45 HA3 GLY 10 1HA GLY 10 8.451 -6.928 1.098 46 H GLY 11 H GLY 11 7.162 -4.986 -1.289 47 HA2 GLY 11 2HA GLY 11 7.195 -5.624 -3.686 48 HA3 GLY 11 1HA GLY 11 7.047 -7.279 -3.126 49 H THR 12 H THR 12 5.020 -6.409 -0.992 50 HA THR 12 HA THR 12 2.845 -5.501 -2.534 51 HB THR 12 HB THR 12 2.947 -7.829 -3.307 52 HG1 THR 12 1HG THR 12 0.836 -8.438 -2.732 53 HG21 THR 12 3HG2 THR 12 2.604 -8.570 -0.401 54 HG22 THR 12 1HG2 THR 12 4.036 -8.873 -1.382 55 HG23 THR 12 2HG2 THR 12 2.523 -9.704 -1.750 56 H CYS 13 H CYS 13 0.924 -5.912 -1.188 57 HA CYS 13 HA CYS 13 1.505 -4.910 1.539 58 HB2 CYS 13 2HB CYS 13 -1.141 -4.848 0.064 59 HB3 CYS 13 1HB CYS 13 -0.712 -3.955 1.516 60 H ASN 14 H ASN 14 -0.057 -5.729 3.287 61 HA ASN 14 HA ASN 14 -0.346 -8.615 3.031 62 HB2 ASN 14 2HB ASN 14 -1.221 -6.873 5.349 63 HB3 ASN 14 1HB ASN 14 -0.890 -8.598 5.373 64 HD21 ASN 14 1HD2 ASN 14 0.377 -5.442 5.529 65 HD22 ASN 14 2HD2 ASN 14 2.017 -5.863 5.892 66 H THR 15 H THR 15 -2.186 -5.742 3.519 67 HA THR 15 HA THR 15 -4.755 -6.970 3.389 68 HB THR 15 HB THR 15 -4.000 -4.063 3.023 69 HG1 THR 15 1HG THR 15 -3.039 -4.763 4.891 70 HG21 THR 15 3HG2 THR 15 -6.212 -3.649 4.012 71 HG22 THR 15 1HG2 THR 15 -6.467 -5.385 4.185 72 HG23 THR 15 2HG2 THR 15 -6.374 -4.664 2.578 73 HA PRO 16 HA PRO 16 -4.345 -7.223 -1.095 74 HB2 PRO 16 2HB PRO 16 -6.568 -8.667 -1.608 75 HB3 PRO 16 1HB PRO 16 -5.122 -9.363 -0.861 76 HG2 PRO 16 2HG PRO 16 -7.655 -8.454 0.440 77 HG3 PRO 16 1HG PRO 16 -6.704 -9.914 0.751 78 HD2 PRO 16 2HD PRO 16 -6.570 -7.659 2.299 79 HD3 PRO 16 1HD PRO 16 -5.228 -8.806 2.121 80 H GLY 17 H GLY 17 -6.316 -5.559 0.514 81 HA2 GLY 17 2HA GLY 17 -7.922 -4.452 -1.719 82 HA3 GLY 17 1HA GLY 17 -8.141 -4.038 -0.019 83 H CYS 18 H CYS 18 -5.034 -3.900 -0.104 84 HA CYS 18 HA CYS 18 -5.001 -1.096 -0.901 85 HB2 CYS 18 2HB CYS 18 -3.206 -2.601 1.033 86 HB3 CYS 18 1HB CYS 18 -3.078 -0.899 0.601 87 H THR 19 H THR 19 -3.800 -0.488 -2.449 88 HA THR 19 HA THR 19 -2.489 -2.505 -4.063 89 HB THR 19 HB THR 19 -2.930 0.403 -4.630 90 HG1 THR 19 1HG THR 19 -4.635 -1.864 -4.882 91 HG21 THR 19 3HG2 THR 19 -2.984 -0.356 -6.986 92 HG22 THR 19 1HG2 THR 19 -2.735 -2.018 -6.445 93 HG23 THR 19 2HG2 THR 19 -1.476 -0.809 -6.192 94 H CYS 20 H CYS 20 -0.307 -2.078 -4.798 95 HA CYS 20 HA CYS 20 1.238 -0.790 -2.742 96 HB2 CYS 20 2HB CYS 20 1.808 -3.028 -3.446 97 HB3 CYS 20 1HB CYS 20 2.034 -2.436 -5.090 98 H SER 21 H SER 21 1.758 1.201 -2.928 99 HA SER 21 HA SER 21 2.427 2.344 -5.523 100 HB2 SER 21 2HB SER 21 0.344 3.291 -4.450 101 HB3 SER 21 1HB SER 21 1.290 3.662 -3.015 102 HG SER 21 HG SER 21 2.495 4.683 -5.153 103 H TRP 22 H TRP 22 4.312 0.948 -4.633 104 HA TRP 22 HA TRP 22 5.621 0.876 -2.478 105 HB2 TRP 22 2HB TRP 22 6.157 -0.235 -4.594 106 HB3 TRP 22 1HB TRP 22 7.084 1.190 -5.091 107 HD1 TRP 22 HD TRP 22 7.211 -1.907 -2.951 108 HE1 TRP 22 1HE TRP 22 9.546 -2.202 -1.932 109 HE3 TRP 22 3HE TRP 22 9.224 2.597 -4.236 110 HZ2 TRP 22 2HZ TRP 22 11.910 -0.714 -1.673 111 HZ3 TRP 22 3HZ TRP 22 11.541 3.082 -3.566 112 HH2 TRP 22 HH TRP 22 12.853 1.460 -2.314 113 HA PRO 23 HA PRO 23 7.089 0.729 -1.347 114 HB2 PRO 23 2HB PRO 23 7.917 1.975 1.104 115 HB3 PRO 23 1HB PRO 23 8.892 1.036 -0.036 116 HG2 PRO 23 2HG PRO 23 9.274 3.705 0.374 117 HG3 PRO 23 1HG PRO 23 9.603 2.873 -1.154 118 HD2 PRO 23 2HD PRO 23 7.132 4.425 -0.404 119 HD3 PRO 23 1HD PRO 23 8.131 4.554 -1.875 120 H VAL 24 H VAL 24 4.814 3.080 -0.918 121 HA VAL 24 HA VAL 24 3.805 1.808 1.478 122 HB VAL 24 HB VAL 24 2.395 3.809 1.833 123 HG11 VAL 24 1HG1 VAL 24 4.214 5.295 2.580 124 HG12 VAL 24 2HG1 VAL 24 5.359 4.340 1.638 125 HG13 VAL 24 3HG1 VAL 24 4.514 3.611 3.002 126 HG21 VAL 24 3HG2 VAL 24 3.984 4.973 -0.456 127 HG22 VAL 24 1HG2 VAL 24 2.905 5.887 0.600 128 HG23 VAL 24 2HG2 VAL 24 2.255 4.630 -0.454 129 H CYS 25 H CYS 25 1.494 1.289 1.631 130 HA CYS 25 HA CYS 25 0.435 0.656 -0.930 131 HB2 CYS 25 2HB CYS 25 -0.390 0.098 1.852 132 HB3 CYS 25 1HB CYS 25 -1.143 -0.543 0.413 133 H THR 26 H THR 26 -1.469 1.336 -1.657 134 HA THR 26 HA THR 26 -2.781 3.587 -0.343 135 HB THR 26 HB THR 26 -3.525 3.925 -2.773 136 HG1 THR 26 1HG THR 26 -2.417 2.829 -4.291 137 HG21 THR 26 3HG2 THR 26 -1.469 5.285 -3.183 138 HG22 THR 26 1HG2 THR 26 -0.682 4.387 -1.877 139 HG23 THR 26 2HG2 THR 26 -2.049 5.420 -1.510 140 H ARG 27 H ARG 27 -5.265 3.659 -1.523 141 HA ARG 27 HA ARG 27 -6.175 1.021 -1.176 142 HB2 ARG 27 2HB ARG 27 -8.235 2.240 -0.330 143 HB3 ARG 27 1HB ARG 27 -6.878 1.991 0.784 144 HG2 ARG 27 2HG ARG 27 -7.793 4.182 1.148 145 HG3 ARG 27 1HG ARG 27 -6.251 4.374 0.328 146 HD2 ARG 27 2HD ARG 27 -7.835 5.915 -0.615 147 HD3 ARG 27 1HD ARG 27 -7.484 4.663 -1.801 148 HE ARG 27 HE ARG 27 -9.868 4.337 -0.151 149 HH11 ARG 27 1HH1 ARG 27 -8.496 4.927 -3.359 150 HH12 ARG 27 2HH1 ARG 27 -10.006 5.097 -4.114 151 HH21 ARG 27 1HH2 ARG 27 -11.937 4.555 -1.198 152 HH22 ARG 27 2HH2 ARG 27 -11.998 4.912 -2.873 153 H ASN 28 H ASN 28 -7.820 0.499 -2.291 154 HA ASN 28 HA ASN 28 -8.945 2.337 -4.271 155 HB2 ASN 28 2HB ASN 28 -8.902 0.736 -6.077 156 HB3 ASN 28 1HB ASN 28 -7.292 0.709 -5.386 157 HD21 ASN 28 1HD2 ASN 28 -6.706 -1.146 -4.099 158 HD22 ASN 28 2HD2 ASN 28 -7.513 -2.644 -4.337 159 H GLY 29 H GLY 29 -11.010 2.513 -3.943 160 HA2 GLY 29 2HA GLY 29 -13.197 2.008 -3.423 161 HA3 GLY 29 1HA GLY 29 -12.742 0.316 -3.328 162 H LEU 30 H LEU 30 -10.725 0.758 -1.323 163 HA LEU 30 HA LEU 30 -12.304 0.426 0.959 164 HB2 LEU 30 2HB LEU 30 -9.354 0.643 0.578 165 HB3 LEU 30 1HB LEU 30 -10.042 0.549 2.184 166 HG LEU 30 HG LEU 30 -10.436 -1.437 0.017 167 HD11 LEU 30 1HD1 LEU 30 -8.924 -2.864 1.468 168 HD12 LEU 30 2HD1 LEU 30 -8.613 -1.425 2.443 169 HD13 LEU 30 3HD1 LEU 30 -8.119 -1.471 0.752 170 HD21 LEU 30 3HD2 LEU 30 -11.274 -2.903 1.839 171 HD22 LEU 30 1HD2 LEU 30 -12.286 -1.487 1.566 172 HD23 LEU 30 2HD2 LEU 30 -11.178 -1.530 2.936 173 HA PRO 31 HA PRO 31 -12.674 4.416 2.849 174 HB2 PRO 31 2HB PRO 31 -11.854 3.137 5.384 175 HB3 PRO 31 1HB PRO 31 -13.375 3.937 4.988 176 HG2 PRO 31 2HG PRO 31 -13.206 1.273 5.282 177 HG3 PRO 31 1HG PRO 31 -14.318 2.028 4.125 178 HD2 PRO 31 2HD PRO 31 -11.705 0.642 3.596 179 HD3 PRO 31 1HD PRO 31 -13.160 0.682 2.630 180 H VAL 32 H VAL 32 -11.327 6.066 3.144 181 HA VAL 32 HA VAL 32 -8.594 5.598 2.863 182 HB VAL 32 HB VAL 32 -9.493 7.576 1.942 183 HG11 VAL 32 1HG1 VAL 32 -10.064 8.526 4.762 184 HG12 VAL 32 2HG1 VAL 32 -11.272 8.092 3.561 185 HG13 VAL 32 3HG1 VAL 32 -10.259 9.512 3.315 186 HG21 VAL 32 3HG2 VAL 32 -7.545 8.246 4.141 187 HG22 VAL 32 1HG2 VAL 32 -7.881 9.278 2.750 188 HG23 VAL 32 2HG2 VAL 32 -7.157 7.685 2.516 189 H THR 33 H THR 33 -7.327 4.956 4.188 190 HA THR 33 HA THR 33 -7.731 5.389 7.049 191 HB THR 33 HB THR 33 -5.855 3.479 5.633 192 HG1 THR 33 1HG THR 33 -8.296 3.276 5.435 193 HG21 THR 33 3HG2 THR 33 -6.840 3.548 8.501 194 HG22 THR 33 1HG2 THR 33 -5.220 4.002 7.967 195 HG23 THR 33 2HG2 THR 33 -5.766 2.334 7.809 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.715 9.343 5.351 2 HA2 GLY 1 2HA GLY 1 -5.592 10.036 5.882 3 HA3 GLY 1 1HA GLY 1 -5.138 8.337 6.035 4 H GLY 2 H GLY 2 -3.578 7.798 4.706 5 HA2 GLY 2 2HA GLY 2 -3.431 9.122 2.087 6 HA3 GLY 2 1HA GLY 2 -2.068 8.381 2.922 7 H GLY 3 H GLY 3 -5.115 6.844 2.945 8 HA2 GLY 3 2HA GLY 3 -5.926 5.279 1.290 9 HA3 GLY 3 1HA GLY 3 -4.245 4.958 0.861 10 H CYS 4 H CYS 4 -2.915 3.871 2.370 11 HA CYS 4 HA CYS 4 -4.319 2.451 4.483 12 HB2 CYS 4 2HB CYS 4 -2.674 1.179 2.281 13 HB3 CYS 4 1HB CYS 4 -3.019 0.368 3.791 14 H GLY 5 H GLY 5 -2.924 1.682 6.125 15 HA2 GLY 5 2HA GLY 5 -0.431 3.194 6.330 16 HA3 GLY 5 1HA GLY 5 -1.262 2.357 7.646 17 H GLU 6 H GLU 6 -1.105 0.771 4.760 18 HA GLU 6 HA GLU 6 0.664 -1.291 5.774 19 HB2 GLU 6 2HB GLU 6 -0.923 -1.101 3.217 20 HB3 GLU 6 1HB GLU 6 -0.080 -2.524 3.803 21 HG2 GLU 6 2HG GLU 6 -2.395 -1.177 5.129 22 HG3 GLU 6 1HG GLU 6 -2.459 -2.626 4.107 23 H THR 7 H THR 7 2.523 -1.841 4.632 24 HA THR 7 HA THR 7 3.372 0.053 2.618 25 HB THR 7 HB THR 7 5.624 -0.441 3.585 26 HG1 THR 7 1HG THR 7 4.513 -0.487 6.131 27 HG21 THR 7 3HG2 THR 7 5.451 1.504 5.155 28 HG22 THR 7 1HG2 THR 7 3.696 1.409 4.986 29 HG23 THR 7 2HG2 THR 7 4.704 1.767 3.582 30 H CYS 8 H CYS 8 4.754 -0.807 1.021 31 HA CYS 8 HA CYS 8 4.857 -3.728 0.971 32 HB2 CYS 8 2HB CYS 8 4.402 -3.560 -1.432 33 HB3 CYS 8 1HB CYS 8 3.075 -3.055 -0.386 34 H VAL 9 H VAL 9 6.786 -1.979 1.805 35 HA VAL 9 HA VAL 9 8.722 -1.169 -0.086 36 HB VAL 9 HB VAL 9 9.382 -2.195 2.685 37 HG11 VAL 9 1HG1 VAL 9 10.793 -0.184 0.946 38 HG12 VAL 9 2HG1 VAL 9 11.330 -1.824 1.307 39 HG13 VAL 9 3HG1 VAL 9 11.254 -0.618 2.593 40 HG21 VAL 9 3HG2 VAL 9 9.104 0.116 3.493 41 HG22 VAL 9 1HG2 VAL 9 7.592 -0.563 2.890 42 HG23 VAL 9 2HG2 VAL 9 8.499 0.581 1.903 43 H GLY 10 H GLY 10 8.117 -4.233 1.452 44 HA2 GLY 10 2HA GLY 10 10.429 -5.463 0.178 45 HA3 GLY 10 1HA GLY 10 9.368 -6.222 1.351 46 H GLY 11 H GLY 11 7.455 -4.707 -0.998 47 HA2 GLY 11 2HA GLY 11 7.505 -6.049 -3.267 48 HA3 GLY 11 1HA GLY 11 6.964 -7.315 -2.187 49 H THR 12 H THR 12 4.866 -6.834 -0.921 50 HA THR 12 HA THR 12 3.036 -5.117 -2.318 51 HB THR 12 HB THR 12 2.521 -8.098 -2.101 52 HG1 THR 12 1HG THR 12 4.291 -7.770 -3.458 53 HG21 THR 12 3HG2 THR 12 0.559 -6.699 -2.408 54 HG22 THR 12 1HG2 THR 12 0.845 -7.643 -3.866 55 HG23 THR 12 2HG2 THR 12 1.292 -5.937 -3.822 56 H CYS 13 H CYS 13 0.992 -5.254 -1.066 57 HA CYS 13 HA CYS 13 1.432 -5.949 1.735 58 HB2 CYS 13 2HB CYS 13 -0.685 -4.250 0.401 59 HB3 CYS 13 1HB CYS 13 -0.654 -4.653 2.115 60 H ASN 14 H ASN 14 -0.073 -7.251 2.846 61 HA ASN 14 HA ASN 14 -1.421 -9.098 1.045 62 HB2 ASN 14 2HB ASN 14 -0.682 -9.432 3.954 63 HB3 ASN 14 1HB ASN 14 -1.591 -10.621 3.029 64 HD21 ASN 14 1HD2 ASN 14 0.011 -10.071 0.557 65 HD22 ASN 14 2HD2 ASN 14 1.525 -10.830 0.845 66 H THR 15 H THR 15 -2.207 -6.456 2.704 67 HA THR 15 HA THR 15 -4.919 -7.230 3.297 68 HB THR 15 HB THR 15 -3.603 -4.484 3.134 69 HG1 THR 15 1HG THR 15 -2.796 -4.941 5.087 70 HG21 THR 15 3HG2 THR 15 -6.057 -4.393 3.043 71 HG22 THR 15 1HG2 THR 15 -5.468 -3.767 4.581 72 HG23 THR 15 2HG2 THR 15 -6.155 -5.391 4.495 73 HA PRO 16 HA PRO 16 -5.437 -7.047 -1.144 74 HB2 PRO 16 2HB PRO 16 -8.012 -7.855 -1.332 75 HB3 PRO 16 1HB PRO 16 -6.677 -8.958 -0.973 76 HG2 PRO 16 2HG PRO 16 -8.629 -7.680 0.899 77 HG3 PRO 16 1HG PRO 16 -8.006 -9.337 0.893 78 HD2 PRO 16 2HD PRO 16 -7.068 -7.411 2.577 79 HD3 PRO 16 1HD PRO 16 -6.069 -8.748 1.972 80 H GLY 17 H GLY 17 -6.997 -5.203 0.829 81 HA2 GLY 17 2HA GLY 17 -8.465 -3.627 -1.187 82 HA3 GLY 17 1HA GLY 17 -8.432 -3.247 0.533 83 H CYS 18 H CYS 18 -5.397 -3.744 0.173 84 HA CYS 18 HA CYS 18 -4.842 -0.966 -0.495 85 HB2 CYS 18 2HB CYS 18 -3.230 -2.876 1.217 86 HB3 CYS 18 1HB CYS 18 -2.942 -1.164 0.958 87 H THR 19 H THR 19 -3.700 -0.577 -2.194 88 HA THR 19 HA THR 19 -2.425 -2.792 -3.632 89 HB THR 19 HB THR 19 -2.941 -0.032 -4.676 90 HG1 THR 19 1HG THR 19 -4.671 -2.281 -4.451 91 HG21 THR 19 3HG2 THR 19 -2.785 -2.743 -6.018 92 HG22 THR 19 1HG2 THR 19 -1.517 -1.517 -6.018 93 HG23 THR 19 2HG2 THR 19 -3.043 -1.208 -6.844 94 H CYS 20 H CYS 20 -0.281 -2.485 -4.351 95 HA CYS 20 HA CYS 20 1.288 -0.900 -2.605 96 HB2 CYS 20 2HB CYS 20 1.959 -3.162 -3.237 97 HB3 CYS 20 1HB CYS 20 2.079 -2.640 -4.917 98 H SER 21 H SER 21 1.911 1.018 -2.958 99 HA SER 21 HA SER 21 2.353 2.020 -5.626 100 HB2 SER 21 2HB SER 21 1.249 3.392 -3.169 101 HB3 SER 21 1HB SER 21 1.518 4.124 -4.753 102 HG SER 21 HG SER 21 0.117 1.894 -5.018 103 H TRP 22 H TRP 22 4.338 0.775 -4.699 104 HA TRP 22 HA TRP 22 5.710 0.882 -2.599 105 HB2 TRP 22 2HB TRP 22 6.259 -0.241 -4.729 106 HB3 TRP 22 1HB TRP 22 7.120 1.223 -5.234 107 HD1 TRP 22 HD TRP 22 7.351 -1.798 -2.974 108 HE1 TRP 22 1HE TRP 22 9.717 -1.977 -1.974 109 HE3 TRP 22 3HE TRP 22 9.233 2.693 -4.497 110 HZ2 TRP 22 2HZ TRP 22 12.038 -0.435 -1.823 111 HZ3 TRP 22 3HZ TRP 22 11.552 3.265 -3.877 112 HH2 TRP 22 HH TRP 22 12.918 1.722 -2.565 113 HA PRO 23 HA PRO 23 7.233 0.845 -1.508 114 HB2 PRO 23 2HB PRO 23 7.996 2.261 0.889 115 HB3 PRO 23 1HB PRO 23 9.019 1.291 -0.184 116 HG2 PRO 23 2HG PRO 23 9.296 3.978 0.071 117 HG3 PRO 23 1HG PRO 23 9.627 3.107 -1.434 118 HD2 PRO 23 2HD PRO 23 7.111 4.580 -0.671 119 HD3 PRO 23 1HD PRO 23 8.061 4.699 -2.175 120 H VAL 24 H VAL 24 4.799 3.017 -1.119 121 HA VAL 24 HA VAL 24 3.893 1.761 1.344 122 HB VAL 24 HB VAL 24 2.461 3.754 1.699 123 HG11 VAL 24 1HG1 VAL 24 4.296 5.260 2.363 124 HG12 VAL 24 2HG1 VAL 24 5.424 4.251 1.452 125 HG13 VAL 24 3HG1 VAL 24 4.578 3.596 2.854 126 HG21 VAL 24 3HG2 VAL 24 4.027 4.902 -0.614 127 HG22 VAL 24 1HG2 VAL 24 2.950 5.816 0.444 128 HG23 VAL 24 2HG2 VAL 24 2.299 4.548 -0.598 129 H CYS 25 H CYS 25 1.600 1.169 1.540 130 HA CYS 25 HA CYS 25 0.451 0.751 -1.033 131 HB2 CYS 25 2HB CYS 25 0.093 -0.308 1.670 132 HB3 CYS 25 1HB CYS 25 -1.171 -0.514 0.491 133 H THR 26 H THR 26 -1.516 1.307 -1.545 134 HA THR 26 HA THR 26 -2.901 3.460 -0.059 135 HB THR 26 HB THR 26 -3.661 4.116 -2.358 136 HG1 THR 26 1HG THR 26 -1.420 3.038 -3.572 137 HG21 THR 26 3HG2 THR 26 -1.593 5.389 -2.902 138 HG22 THR 26 1HG2 THR 26 -0.698 4.365 -1.779 139 HG23 THR 26 2HG2 THR 26 -1.962 5.435 -1.177 140 H ARG 27 H ARG 27 -5.228 3.446 -1.801 141 HA ARG 27 HA ARG 27 -6.128 0.771 -1.511 142 HB2 ARG 27 2HB ARG 27 -7.320 3.373 -0.714 143 HB3 ARG 27 1HB ARG 27 -8.360 2.082 -1.281 144 HG2 ARG 27 2HG ARG 27 -7.513 0.642 0.498 145 HG3 ARG 27 1HG ARG 27 -6.454 1.947 1.040 146 HD2 ARG 27 2HD ARG 27 -8.303 3.309 1.624 147 HD3 ARG 27 1HD ARG 27 -9.437 2.209 0.844 148 HE ARG 27 HE ARG 27 -7.946 0.923 2.874 149 HH11 ARG 27 1HH1 ARG 27 -10.674 3.159 2.409 150 HH12 ARG 27 2HH1 ARG 27 -11.527 2.629 3.776 151 HH21 ARG 27 1HH2 ARG 27 -9.120 0.214 4.788 152 HH22 ARG 27 2HH2 ARG 27 -10.621 0.905 5.152 153 H ASN 28 H ASN 28 -7.855 0.442 -2.896 154 HA ASN 28 HA ASN 28 -8.043 2.126 -5.291 155 HB2 ASN 28 2HB ASN 28 -7.639 0.381 -6.852 156 HB3 ASN 28 1HB ASN 28 -6.387 0.159 -5.638 157 HD21 ASN 28 1HD2 ASN 28 -6.685 -1.553 -4.103 158 HD22 ASN 28 2HD2 ASN 28 -7.633 -2.934 -4.534 159 H GLY 29 H GLY 29 -10.072 2.253 -6.043 160 HA2 GLY 29 2HA GLY 29 -12.359 2.032 -6.147 161 HA3 GLY 29 1HA GLY 29 -12.101 0.323 -5.832 162 H LEU 30 H LEU 30 -10.949 2.513 -3.511 163 HA LEU 30 HA LEU 30 -13.203 1.884 -1.783 164 HB2 LEU 30 2HB LEU 30 -10.287 1.511 -1.247 165 HB3 LEU 30 1HB LEU 30 -11.436 1.684 0.064 166 HG LEU 30 HG LEU 30 -11.702 -0.349 -2.066 167 HD11 LEU 30 1HD1 LEU 30 -10.695 -1.957 -0.429 168 HD12 LEU 30 2HD1 LEU 30 -10.394 -0.609 0.668 169 HD13 LEU 30 3HD1 LEU 30 -9.551 -0.694 -0.878 170 HD21 LEU 30 3HD2 LEU 30 -12.875 -0.142 0.698 171 HD22 LEU 30 1HD2 LEU 30 -13.106 -1.500 -0.401 172 HD23 LEU 30 2HD2 LEU 30 -13.724 0.092 -0.831 173 HA PRO 31 HA PRO 31 -12.999 6.113 -0.460 174 HB2 PRO 31 2HB PRO 31 -13.269 5.168 2.312 175 HB3 PRO 31 1HB PRO 31 -14.373 6.176 1.381 176 HG2 PRO 31 2HG PRO 31 -14.956 3.615 2.028 177 HG3 PRO 31 1HG PRO 31 -15.520 4.378 0.533 178 HD2 PRO 31 2HD PRO 31 -13.305 2.382 0.892 179 HD3 PRO 31 1HD PRO 31 -14.403 2.607 -0.449 180 H VAL 32 H VAL 32 -11.403 7.424 0.110 181 HA VAL 32 HA VAL 32 -8.953 6.140 0.894 182 HB VAL 32 HB VAL 32 -9.377 9.033 0.271 183 HG11 VAL 32 1HG1 VAL 32 -6.949 9.063 -0.226 184 HG12 VAL 32 2HG1 VAL 32 -6.854 7.381 0.292 185 HG13 VAL 32 3HG1 VAL 32 -7.308 8.633 1.447 186 HG21 VAL 32 3HG2 VAL 32 -8.555 8.569 -2.014 187 HG22 VAL 32 1HG2 VAL 32 -10.068 7.730 -1.669 188 HG23 VAL 32 2HG2 VAL 32 -8.540 6.849 -1.633 189 H THR 33 H THR 33 -8.583 5.982 2.873 190 HA THR 33 HA THR 33 -9.331 8.148 4.657 191 HB THR 33 HB THR 33 -10.490 6.063 5.263 192 HG1 THR 33 1HG THR 33 -9.046 7.487 6.930 193 HG21 THR 33 3HG2 THR 33 -7.747 4.851 5.640 194 HG22 THR 33 1HG2 THR 33 -8.924 4.398 4.408 195 HG23 THR 33 2HG2 THR 33 -9.266 4.086 6.111
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