NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
7796 | 1l1v | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 6.914 4.316 -2.385 2 2H5* G 1 2H5* G 1 7.227 3.743 -0.732 3 H4* G 1 H4* G 1 6.270 1.988 -3.058 4 H3* G 1 H3* G 1 4.871 3.517 -0.886 5 H1* G 1 H1* G 1 5.246 -0.103 -2.078 6 H8 G 1 H8 G 1 5.434 0.745 1.708 7 H1 G 1 H1 G 1 6.268 -5.467 0.316 8 1H2 G 1 1H2 G 1 5.638 -4.503 -2.975 9 2H2 G 1 2H2 G 1 6.126 -5.786 -1.888 10 2H2* G 1 2H2* G 1 3.335 1.122 -1.491 11 1H2* G 1 1H2* G 1 4.017 1.653 0.059 12 H5T G 1 H5T G 1 8.790 2.337 -1.616 13 1H5* T 2 1H5* T 2 1.089 2.374 -2.061 14 2H5* T 2 2H5* T 2 0.215 3.906 -2.277 15 H4* T 2 H4* T 2 -0.664 2.638 -0.331 16 H3* T 2 H3* T 2 0.735 5.278 0.175 17 1H2* T 2 1H2* T 2 0.882 4.904 2.393 18 2H2* T 2 2H2* T 2 -0.746 4.196 2.503 19 H1* T 2 H1* T 2 -0.036 2.078 2.222 20 H3 T 2 H3 T 2 2.997 1.079 5.441 21 1H5M T 2 1H5M T 2 6.450 2.970 3.184 22 2H5M T 2 2H5M T 2 5.839 3.059 1.515 23 3H5M T 2 3H5M T 2 5.680 4.463 2.597 24 H6 T 2 H6 T 2 3.208 3.689 1.420 25 1H5* C 3 1H5* C 3 -4.705 5.796 1.733 26 2H5* C 3 2H5* C 3 -4.119 4.843 3.100 27 H4* C 3 H4* C 3 -3.992 4.093 0.133 28 H3* C 3 H3* C 3 -5.393 3.052 2.616 29 H1* C 3 H1* C 3 -2.968 1.584 -0.038 30 1H4 C 3 1H4 C 3 -0.207 -1.608 5.190 31 2H4 C 3 2H4 C 3 0.099 -2.630 3.804 32 H5 C 3 H5 C 3 -1.601 0.388 5.086 33 H6 C 3 H6 C 3 -2.831 1.842 3.626 34 1H2* C 3 1H2* C 3 -5.014 0.881 1.995 35 2H2* C 3 2H2* C 3 -5.172 1.233 0.267 36 1H5* A 4 1H5* A 4 -7.635 0.773 -0.606 37 2H5* A 4 2H5* A 4 -9.267 0.704 0.082 38 H4* A 4 H4* A 4 -7.805 -1.484 -0.247 39 H3* A 4 H3* A 4 -10.058 -1.103 1.279 40 H1* A 4 H1* A 4 -6.953 -2.534 2.739 41 H8 A 4 H8 A 4 -7.506 0.697 4.705 42 1H6 A 4 1H6 A 4 -2.533 -1.107 7.875 43 2H6 A 4 2H6 A 4 -3.853 0.044 7.785 44 H2 A 4 H2 A 4 -2.837 -3.671 4.221 45 2H2* A 4 2H2* A 4 -9.065 -1.852 3.673 46 1H2* A 4 1H2* A 4 -8.835 -0.180 3.109 47 1H5* C 5 1H5* C 5 -7.241 -4.490 1.922 48 2H5* C 5 2H5* C 5 -7.891 -6.111 2.156 49 H4* C 5 H4* C 5 -5.672 -5.447 3.322 50 H3* C 5 H3* C 5 -7.521 -7.354 4.078 51 H1* C 5 H1* C 5 -5.957 -4.863 6.422 52 1H4 C 5 1H4 C 5 -10.386 0.033 7.838 53 2H4 C 5 2H4 C 5 -8.971 0.308 8.833 54 H5 C 5 H5 C 5 -10.504 -1.824 6.189 55 H6 C 5 H6 C 5 -9.311 -3.741 5.322 56 2H2* C 5 2H2* C 5 -7.613 -6.580 6.672 57 1H2* C 5 1H2* C 5 -8.706 -5.829 5.483 58 1H5* C 6 1H5* C 6 -7.310 -11.119 3.596 59 2H5* C 6 2H5* C 6 -5.556 -11.089 3.630 60 H4* C 6 H4* C 6 -7.359 -10.242 1.568 61 H3* C 6 H3* C 6 -4.338 -9.955 1.792 62 H1* C 6 H1* C 6 -7.136 -7.907 0.172 63 1H4 C 6 1H4 C 6 -2.560 -3.222 1.734 64 2H4 C 6 2H4 C 6 -3.775 -2.447 0.683 65 H5 C 6 H5 C 6 -2.635 -5.581 2.297 66 H6 C 6 H6 C 6 -3.908 -7.673 2.008 67 2H2* C 6 2H2* C 6 -6.032 -9.613 -0.714 68 1H2* C 6 1H2* C 6 -4.472 -8.860 -0.334 69 1H5* G 7 1H5* G 7 -4.103 -10.695 -1.761 70 2H5* G 7 2H5* G 7 -3.041 -12.034 -2.216 71 H4* G 7 H4* G 7 -2.373 -9.747 -3.115 72 H3* G 7 H3* G 7 -0.644 -11.721 -1.801 73 H1* G 7 H1* G 7 -0.550 -7.927 -2.264 74 H8 G 7 H8 G 7 0.117 -9.164 1.363 75 H1 G 7 H1 G 7 -0.543 -2.802 1.016 76 1H2 G 7 1H2 G 7 -1.050 -3.264 -2.381 77 2H2 G 7 2H2 G 7 -1.133 -2.173 -1.003 78 2H2* G 7 2H2* G 7 1.162 -9.556 -1.975 79 1H2* G 7 1H2* G 7 0.414 -10.214 -0.507 80 1H5* A 8 1H5* A 8 2.631 -10.394 -3.490 81 2H5* A 8 2H5* A 8 3.382 -11.667 -4.456 82 H4* A 8 H4* A 8 4.760 -11.109 -2.513 83 H3* A 8 H3* A 8 4.030 -13.753 -3.187 84 H1* A 8 H1* A 8 4.126 -12.405 0.402 85 H8 A 8 H8 A 8 0.589 -13.690 -0.592 86 1H6 A 8 1H6 A 8 -1.580 -10.675 4.332 87 2H6 A 8 2H6 A 8 -1.967 -11.748 2.999 88 H2 A 8 H2 A 8 2.801 -9.783 4.011 89 2H2* A 8 2H2* A 8 3.801 -14.597 -0.600 90 1H2* A 8 1H2* A 8 2.475 -14.006 -1.584 91 1H5* C 9 1H5* C 9 8.224 -13.351 -3.251 92 2H5* C 9 2H5* C 9 9.583 -13.964 -2.289 93 H4* C 9 H4* C 9 9.917 -11.656 -3.277 94 H3* C 9 H3* C 9 9.891 -11.872 -0.237 95 H1* C 9 H1* C 9 8.966 -8.951 -2.581 96 1H4 C 9 1H4 C 9 6.367 -7.815 3.482 97 2H4 C 9 2H4 C 9 6.328 -6.304 2.598 98 H5 C 9 H5 C 9 6.943 -9.976 2.401 99 H6 C 9 H6 C 9 7.921 -10.945 0.427 100 H3T C 9 H3T C 9 12.147 -11.712 -0.635 101 2H2* C 9 2H2* C 9 10.994 -9.597 -1.910 102 1H2* C 9 1H2* C 9 10.432 -9.534 -0.220 103 1HN2 PXZ 17 1HN2 PXZ 17 1.867 1.092 0.358 104 2HN2 PXZ 17 2HN2 PXZ 17 1.538 0.377 -1.207 105 H7 PXZ 17 H7 PXZ 17 3.585 -9.181 0.976 106 H8 PXZ 17 H8 PXZ 17 3.377 -8.861 -1.453 107 1H15 PXZ 17 1H15 PXZ 17 4.032 -2.878 3.747 108 2H15 PXZ 17 2H15 PXZ 17 2.312 -3.222 4.040 109 3H15 PXZ 17 3H15 PXZ 17 2.907 -1.560 4.127 110 1H16 PXZ 17 1H16 PXZ 17 3.678 -8.342 3.197 111 2H16 PXZ 17 2H16 PXZ 17 2.533 -7.018 3.466 112 3H16 PXZ 17 3H16 PXZ 17 4.269 -6.676 3.348 113 H THR 18 H THR 18 3.964 -2.798 -2.295 114 HA THR 18 HA THR 18 2.478 -1.734 -4.702 115 HB THR 18 HB THR 18 4.584 -0.869 -5.592 116 1HG2 THR 18 1HG2 THR 18 3.165 0.685 -4.287 117 2HG2 THR 18 2HG2 THR 18 4.012 0.247 -2.797 118 3HG2 THR 18 3HG2 THR 18 4.874 1.091 -4.092 119 1HN DVA 19 1HN DVA 19 2.751 -2.727 -6.690 120 HA DVA 19 HA DVA 19 5.027 -4.471 -7.196 121 HB DVA 19 HB DVA 19 2.769 -3.589 -8.996 122 1HG1 DVA 19 1HG1 DVA 19 3.944 -5.617 -9.878 123 2HG1 DVA 19 2HG1 DVA 19 5.496 -4.776 -9.697 124 3HG1 DVA 19 3HG1 DVA 19 4.286 -4.181 -10.846 125 1HG2 DVA 19 1HG2 DVA 19 4.473 -1.976 -9.869 126 2HG2 DVA 19 2HG2 DVA 19 5.587 -2.479 -8.579 127 3HG2 DVA 19 3HG2 DVA 19 4.067 -1.658 -8.183 128 HA PRO 20 HA PRO 20 5.348 -6.265 -5.468 129 1HB PRO 20 1HB PRO 20 6.527 -8.754 -5.920 130 2HB PRO 20 2HB PRO 20 5.223 -8.428 -4.759 131 1HG PRO 20 1HG PRO 20 4.938 -9.389 -7.632 132 2HG PRO 20 2HG PRO 20 4.225 -10.100 -6.152 133 1HD PRO 20 1HD PRO 20 2.721 -8.439 -7.616 134 2HD PRO 20 2HD PRO 20 2.782 -8.239 -5.849 135 1HA SAR 21 1HA SAR 21 8.859 -5.593 -5.346 136 2HA SAR 21 2HA SAR 21 7.234 -5.833 -4.796 137 1HN SAR 21 1HN SAR 21 9.359 -4.879 -7.504 138 2HN SAR 21 2HN SAR 21 8.074 -4.851 -8.715 139 3HN SAR 21 3HN SAR 21 8.966 -6.354 -8.399 140 1HN MVA 22 1HN MVA 22 9.096 -3.422 -2.346 141 2HN MVA 22 2HN MVA 22 9.902 -4.300 -3.643 142 3HN MVA 22 3HN MVA 22 8.370 -4.884 -2.966 143 HA MVA 22 HA MVA 22 8.069 -1.610 -2.944 144 HB MVA 22 HB MVA 22 10.283 -1.667 -3.953 145 1HG1 MVA 22 1HG1 MVA 22 9.021 -0.513 -6.480 146 2HG1 MVA 22 2HG1 MVA 22 9.746 -2.119 -6.320 147 3HG1 MVA 22 3HG1 MVA 22 10.747 -0.674 -6.138 148 1HG2 MVA 22 1HG2 MVA 22 9.428 0.347 -2.803 149 2HG2 MVA 22 2HG2 MVA 22 10.628 0.716 -4.048 150 3HG2 MVA 22 3HG2 MVA 22 8.915 1.022 -4.361 151 H THR 23 H THR 23 0.909 -5.734 -2.277 152 HA THR 23 HA THR 23 1.656 -6.212 -5.146 153 HB THR 23 HB THR 23 -0.774 -6.657 -5.571 154 1HG2 THR 23 1HG2 THR 23 -0.736 -9.024 -4.661 155 2HG2 THR 23 2HG2 THR 23 0.580 -8.570 -5.743 156 3HG2 THR 23 3HG2 THR 23 0.861 -8.660 -3.992 157 1HN DVA 24 1HN DVA 24 0.860 -4.878 -6.696 158 HA DVA 24 HA DVA 24 -1.392 -3.178 -6.257 159 HB DVA 24 HB DVA 24 0.394 -3.519 -8.671 160 1HG1 DVA 24 1HG1 DVA 24 -2.449 -2.418 -8.488 161 2HG1 DVA 24 2HG1 DVA 24 -1.519 -2.678 -9.972 162 3HG1 DVA 24 3HG1 DVA 24 -1.008 -1.438 -8.822 163 1HG2 DVA 24 1HG2 DVA 24 -0.648 -5.658 -8.003 164 2HG2 DVA 24 2HG2 DVA 24 -1.448 -5.037 -9.447 165 3HG2 DVA 24 3HG2 DVA 24 -2.228 -4.870 -7.860 166 HA PRO 25 HA PRO 25 -1.361 -1.862 -4.215 167 1HB PRO 25 1HB PRO 25 -2.628 0.477 -3.637 168 2HB PRO 25 2HB PRO 25 -0.965 0.116 -3.110 169 1HG PRO 25 1HG PRO 25 -1.822 1.598 -5.623 170 2HG PRO 25 2HG PRO 25 -0.704 2.193 -4.352 171 1HD PRO 25 1HD PRO 25 0.285 1.009 -6.569 172 2HD PRO 25 2HD PRO 25 0.958 0.562 -4.976 173 1HA SAR 26 1HA SAR 26 -4.749 -2.562 -3.164 174 2HA SAR 26 2HA SAR 26 -3.041 -2.297 -3.048 175 1HN SAR 26 1HN SAR 26 -5.698 -1.077 -5.683 176 2HN SAR 26 2HN SAR 26 -5.884 -2.747 -5.135 177 3HN SAR 26 3HN SAR 26 -5.090 -2.422 -6.676 178 1HN MVA 27 1HN MVA 27 -3.402 -3.684 -1.193 179 2HN MVA 27 2HN MVA 27 -3.933 -5.268 -0.676 180 3HN MVA 27 3HN MVA 27 -5.081 -4.158 -1.415 181 HA MVA 27 HA MVA 27 -3.221 -6.888 -1.920 182 HB MVA 27 HB MVA 27 -5.234 -7.173 -4.160 183 1HG1 MVA 27 1HG1 MVA 27 -4.584 -8.828 -1.659 184 2HG1 MVA 27 2HG1 MVA 27 -4.108 -9.240 -3.314 185 3HG1 MVA 27 3HG1 MVA 27 -5.813 -9.232 -2.865 186 1HG2 MVA 27 1HG2 MVA 27 -6.356 -5.630 -2.674 187 2HG2 MVA 27 2HG2 MVA 27 -5.865 -6.578 -1.257 188 3HG2 MVA 27 3HG2 MVA 27 -7.026 -7.241 -2.416 Start of MODEL 2 1 1H5* G 1 1H5* G 1 8.233 5.645 -0.467 2 2H5* G 1 2H5* G 1 7.211 6.915 -1.168 3 H4* G 1 H4* G 1 6.541 4.590 -1.876 4 H3* G 1 H3* G 1 4.679 6.490 -0.496 5 H1* G 1 H1* G 1 4.995 2.725 -1.123 6 H8 G 1 H8 G 1 4.213 3.907 2.519 7 H1 G 1 H1 G 1 4.996 -2.431 1.856 8 1H2 G 1 1H2 G 1 5.392 -1.727 -1.536 9 2H2 G 1 2H2 G 1 5.452 -2.935 -0.273 10 2H2* G 1 2H2* G 1 3.115 4.164 -1.131 11 1H2* G 1 1H2* G 1 3.509 4.827 0.470 12 H5T G 1 H5T G 1 6.840 5.748 1.391 13 1H5* T 2 1H5* T 2 1.561 5.088 -2.871 14 2H5* T 2 2H5* T 2 0.804 6.530 -3.585 15 H4* T 2 H4* T 2 -0.688 5.390 -1.940 16 H3* T 2 H3* T 2 0.284 8.197 -1.323 17 1H2* T 2 1H2* T 2 -0.393 8.062 0.823 18 2H2* T 2 2H2* T 2 -1.902 7.217 0.421 19 H1* T 2 H1* T 2 -1.010 5.152 0.701 20 H3 T 2 H3 T 2 0.822 4.584 4.860 21 1H5M T 2 1H5M T 2 4.282 7.419 1.744 22 2H5M T 2 2H5M T 2 4.304 7.670 3.498 23 3H5M T 2 3H5M T 2 4.892 6.143 2.816 24 H6 T 2 H6 T 2 2.115 7.068 0.963 25 1H5* C 3 1H5* C 3 -5.424 8.066 -2.499 26 2H5* C 3 2H5* C 3 -5.489 6.855 -1.220 27 H4* C 3 H4* C 3 -3.842 6.786 -3.787 28 H3* C 3 H3* C 3 -6.388 5.855 -3.351 29 H1* C 3 H1* C 3 -3.394 3.588 -3.074 30 1H4 C 3 1H4 C 3 -2.294 2.472 3.475 31 2H4 C 3 2H4 C 3 -1.825 1.003 2.643 32 H5 C 3 H5 C 3 -3.294 4.395 2.312 33 H6 C 3 H6 C 3 -4.027 5.222 0.193 34 2H2* C 3 2H2* C 3 -5.739 3.308 -2.644 35 1H2* C 3 1H2* C 3 -5.752 4.574 -1.401 36 1H5* A 4 1H5* A 4 -5.538 1.499 -5.125 37 2H5* A 4 2H5* A 4 -7.033 1.410 -6.082 38 H4* A 4 H4* A 4 -6.847 -0.295 -4.259 39 H3* A 4 H3* A 4 -9.191 1.187 -4.898 40 H1* A 4 H1* A 4 -8.012 0.098 -1.533 41 H8 A 4 H8 A 4 -8.980 3.716 -1.038 42 1H6 A 4 1H6 A 4 -5.634 3.691 4.135 43 2H6 A 4 2H6 A 4 -6.750 4.603 3.136 44 H2 A 4 H2 A 4 -4.810 -0.127 1.956 45 2H2* A 4 2H2* A 4 -9.997 1.275 -2.281 46 1H2* A 4 1H2* A 4 -8.995 2.559 -3.012 47 1H5* C 5 1H5* C 5 -8.465 -2.226 -2.152 48 2H5* C 5 2H5* C 5 -9.694 -3.487 -1.962 49 H4* C 5 H4* C 5 -8.184 -3.143 0.008 50 H3* C 5 H3* C 5 -11.157 -2.767 0.393 51 H1* C 5 H1* C 5 -8.195 -1.022 2.298 52 1H4 C 5 1H4 C 5 -12.623 3.861 0.890 53 2H4 C 5 2H4 C 5 -11.573 4.464 2.155 54 H5 C 5 H5 C 5 -12.412 1.564 -0.026 55 H6 C 5 H6 C 5 -11.163 -0.500 0.149 56 1H2* C 5 1H2* C 5 -10.785 -2.120 2.619 57 2H2* C 5 2H2* C 5 -9.233 -2.967 2.710 58 1H5* C 6 1H5* C 6 -8.495 -7.718 2.582 59 2H5* C 6 2H5* C 6 -7.138 -6.635 2.898 60 H4* C 6 H4* C 6 -8.237 -7.553 0.245 61 H3* C 6 H3* C 6 -5.477 -6.801 1.310 62 H1* C 6 H1* C 6 -7.431 -5.845 -1.834 63 1H4 C 6 1H4 C 6 -3.773 -0.405 -0.359 64 2H4 C 6 2H4 C 6 -4.964 0.065 -1.526 65 H5 C 6 H5 C 6 -4.256 -2.434 0.969 66 H6 C 6 H6 C 6 -5.085 -4.652 0.833 67 2H2* C 6 2H2* C 6 -6.151 -7.635 -1.544 68 1H2* C 6 1H2* C 6 -4.810 -6.613 -0.999 69 1H5* G 7 1H5* G 7 -4.039 -8.766 -1.399 70 2H5* G 7 2H5* G 7 -2.824 -9.969 -0.968 71 H4* G 7 H4* G 7 -2.093 -8.005 -2.470 72 H3* G 7 H3* G 7 -0.646 -9.319 -0.328 73 H1* G 7 H1* G 7 -0.553 -5.736 -1.663 74 H8 G 7 H8 G 7 -1.198 -5.941 2.197 75 H1 G 7 H1 G 7 -1.512 0.028 -0.132 76 1H2 G 7 1H2 G 7 -0.858 -1.398 -3.228 77 2H2 G 7 2H2 G 7 -1.386 0.017 -2.331 78 2H2* G 7 2H2* G 7 0.963 -7.057 -0.356 79 1H2* G 7 1H2* G 7 -0.282 -7.412 0.863 80 1H5* A 8 1H5* A 8 2.770 -8.179 -1.346 81 2H5* A 8 2H5* A 8 3.901 -9.497 -1.664 82 H4* A 8 H4* A 8 4.311 -8.404 0.539 83 H3* A 8 H3* A 8 3.583 -11.302 0.399 84 H1* A 8 H1* A 8 3.142 -8.534 3.065 85 H8 A 8 H8 A 8 0.059 -10.688 1.781 86 1H6 A 8 1H6 A 8 -3.338 -6.906 5.272 87 2H6 A 8 2H6 A 8 -3.367 -8.207 4.095 88 H2 A 8 H2 A 8 0.965 -5.842 5.908 89 1H2* A 8 1H2* A 8 2.569 -11.396 2.362 90 2H2* A 8 2H2* A 8 3.885 -10.665 3.230 91 1H5* C 9 1H5* C 9 7.925 -10.462 -0.309 92 2H5* C 9 2H5* C 9 9.326 -10.943 0.663 93 H4* C 9 H4* C 9 9.541 -8.675 -0.329 94 H3* C 9 H3* C 9 9.260 -8.674 2.707 95 H1* C 9 H1* C 9 8.476 -6.082 -0.038 96 1H4 C 9 1H4 C 9 4.516 -4.325 5.107 97 2H4 C 9 2H4 C 9 4.382 -3.067 3.899 98 H5 C 9 H5 C 9 5.837 -6.374 4.753 99 H6 C 9 H6 C 9 7.406 -7.448 3.258 100 H3T C 9 H3T C 9 11.462 -8.491 0.902 101 2H2* C 9 2H2* C 9 10.411 -6.464 0.982 102 1H2* C 9 1H2* C 9 9.639 -6.318 2.578 103 1HN2 PXZ 17 1HN2 PXZ 17 0.896 3.685 -0.790 104 2HN2 PXZ 17 2HN2 PXZ 17 1.218 2.673 -2.174 105 H7 PXZ 17 H7 PXZ 17 2.182 -5.951 2.793 106 H8 PXZ 17 H8 PXZ 17 2.724 -6.271 0.418 107 1H15 PXZ 17 1H15 PXZ 17 2.301 0.545 3.911 108 2H15 PXZ 17 2H15 PXZ 17 0.548 0.805 3.806 109 3H15 PXZ 17 3H15 PXZ 17 1.666 2.173 3.633 110 1H16 PXZ 17 1H16 PXZ 17 0.526 -3.188 4.161 111 2H16 PXZ 17 2H16 PXZ 17 2.240 -2.956 4.553 112 3H16 PXZ 17 3H16 PXZ 17 1.526 -4.580 4.609 113 H THR 18 H THR 18 3.923 -0.655 -1.755 114 HA THR 18 HA THR 18 3.225 -0.075 -4.610 115 HB THR 18 HB THR 18 5.651 0.479 -4.885 116 1HG2 THR 18 1HG2 THR 18 3.997 2.253 -4.797 117 2HG2 THR 18 2HG2 THR 18 4.051 2.297 -3.030 118 3HG2 THR 18 3HG2 THR 18 5.470 2.776 -3.977 119 1HN DVA 19 1HN DVA 19 4.512 -1.246 -6.135 120 HA DVA 19 HA DVA 19 6.668 -2.810 -5.425 121 HB DVA 19 HB DVA 19 5.099 -2.808 -8.012 122 1HG1 DVA 19 1HG1 DVA 19 6.681 -4.740 -7.874 123 2HG1 DVA 19 2HG1 DVA 19 7.993 -3.604 -7.482 124 3HG1 DVA 19 3HG1 DVA 19 7.190 -3.535 -9.060 125 1HG2 DVA 19 1HG2 DVA 19 7.477 -1.150 -7.056 126 2HG2 DVA 19 2HG2 DVA 19 5.852 -0.536 -7.423 127 3HG2 DVA 19 3HG2 DVA 19 6.858 -1.180 -8.719 128 HA PRO 20 HA PRO 20 6.652 -3.859 -3.403 129 1HB PRO 20 1HB PRO 20 7.853 -6.075 -2.389 130 2HB PRO 20 2HB PRO 20 6.149 -5.640 -2.031 131 1HG PRO 20 1HG PRO 20 7.169 -7.571 -4.141 132 2HG PRO 20 2HG PRO 20 5.914 -7.876 -2.902 133 1HD PRO 20 1HD PRO 20 5.255 -7.114 -5.434 134 2HD PRO 20 2HD PRO 20 4.358 -6.487 -4.024 135 1HA SAR 21 1HA SAR 21 10.089 -3.279 -2.330 136 2HA SAR 21 2HA SAR 21 8.438 -3.808 -2.108 137 1HN SAR 21 1HN SAR 21 10.297 -3.657 -5.828 138 2HN SAR 21 2HN SAR 21 11.029 -4.814 -4.694 139 3HN SAR 21 3HN SAR 21 11.078 -3.071 -4.358 140 1HN MVA 22 1HN MVA 22 8.157 -2.460 -0.342 141 2HN MVA 22 2HN MVA 22 8.613 -0.867 0.240 142 3HN MVA 22 3HN MVA 22 9.840 -1.906 -0.474 143 HA MVA 22 HA MVA 22 7.784 0.678 -0.998 144 HB MVA 22 HB MVA 22 10.217 0.735 -1.058 145 1HG1 MVA 22 1HG1 MVA 22 11.501 1.427 -2.964 146 2HG1 MVA 22 2HG1 MVA 22 10.094 1.379 -4.026 147 3HG1 MVA 22 3HG1 MVA 22 10.724 -0.116 -3.304 148 1HG2 MVA 22 1HG2 MVA 22 9.079 2.756 -0.585 149 2HG2 MVA 22 2HG2 MVA 22 10.469 3.123 -1.603 150 3HG2 MVA 22 3HG2 MVA 22 8.845 3.128 -2.312 151 H THR 23 H THR 23 0.970 -3.332 -2.108 152 HA THR 23 HA THR 23 2.812 -4.565 -4.111 153 HB THR 23 HB THR 23 0.854 -5.393 -5.346 154 1HG2 THR 23 1HG2 THR 23 0.431 -7.418 -3.996 155 2HG2 THR 23 2HG2 THR 23 2.137 -6.992 -4.109 156 3HG2 THR 23 3HG2 THR 23 1.249 -6.661 -2.616 157 1HN DVA 24 1HN DVA 24 2.409 -3.899 -6.279 158 HA DVA 24 HA DVA 24 0.219 -2.402 -7.042 159 HB DVA 24 HB DVA 24 2.816 -2.872 -8.520 160 1HG1 DVA 24 1HG1 DVA 24 0.050 -2.170 -9.592 161 2HG1 DVA 24 2HG1 DVA 24 1.484 -2.557 -10.558 162 3HG1 DVA 24 3HG1 DVA 24 1.454 -1.077 -9.594 163 1HG2 DVA 24 1HG2 DVA 24 1.763 -4.995 -7.828 164 2HG2 DVA 24 2HG2 DVA 24 1.527 -4.742 -9.557 165 3HG2 DVA 24 3HG2 DVA 24 0.192 -4.430 -8.431 166 HA PRO 25 HA PRO 25 -0.698 -0.963 -5.620 167 1HB PRO 25 1HB PRO 25 -2.118 1.342 -5.721 168 2HB PRO 25 2HB PRO 25 -0.796 1.061 -4.542 169 1HG PRO 25 1HG PRO 25 -0.628 2.523 -7.195 170 2HG PRO 25 2HG PRO 25 -0.073 3.102 -5.595 171 1HD PRO 25 1HD PRO 25 1.623 1.898 -7.376 172 2HD PRO 25 2HD PRO 25 1.786 1.646 -5.619 173 1HA SAR 26 1HA SAR 26 -4.246 -1.507 -6.321 174 2HA SAR 26 2HA SAR 26 -2.894 -0.875 -5.416 175 1HN SAR 26 1HN SAR 26 -4.110 -2.115 -8.502 176 2HN SAR 26 2HN SAR 26 -2.681 -1.758 -9.473 177 3HN SAR 26 3HN SAR 26 -3.815 -0.454 -9.054 178 1HN MVA 27 1HN MVA 27 -4.711 -2.228 -4.150 179 2HN MVA 27 2HN MVA 27 -3.157 -1.829 -3.391 180 3HN MVA 27 3HN MVA 27 -4.094 -3.214 -2.835 181 HA MVA 27 HA MVA 27 -3.002 -4.972 -3.213 182 HB MVA 27 HB MVA 27 -3.858 -5.936 -5.956 183 1HG1 MVA 27 1HG1 MVA 27 -4.868 -7.753 -4.637 184 2HG1 MVA 27 2HG1 MVA 27 -4.363 -6.975 -3.127 185 3HG1 MVA 27 3HG1 MVA 27 -3.149 -7.640 -4.248 186 1HG2 MVA 27 1HG2 MVA 27 -5.504 -4.228 -5.379 187 2HG2 MVA 27 2HG2 MVA 27 -5.652 -4.884 -3.730 188 3HG2 MVA 27 3HG2 MVA 27 -6.196 -5.828 -5.128 Start of MODEL 3 1 1H5* G 1 1H5* G 1 7.940 4.213 -1.001 2 2H5* G 1 2H5* G 1 8.143 3.271 0.492 3 H4* G 1 H4* G 1 7.007 2.148 -2.126 4 H3* G 1 H3* G 1 5.739 3.452 0.270 5 H1* G 1 H1* G 1 5.677 0.057 -1.548 6 H8 G 1 H8 G 1 5.837 0.370 2.344 7 H1 G 1 H1 G 1 5.971 -5.657 0.150 8 1H2 G 1 1H2 G 1 5.505 -4.223 -3.000 9 2H2 G 1 2H2 G 1 5.839 -5.672 -2.078 10 2H2* G 1 2H2* G 1 3.930 1.485 -0.916 11 1H2* G 1 1H2* G 1 4.507 1.626 0.757 12 H5T G 1 H5T G 1 9.343 2.749 -2.025 13 1H5* T 2 1H5* T 2 2.016 3.075 -1.522 14 2H5* T 2 2H5* T 2 1.294 4.700 -1.486 15 H4* T 2 H4* T 2 0.044 3.126 -0.029 16 H3* T 2 H3* T 2 1.567 5.368 1.373 17 1H2* T 2 1H2* T 2 0.981 4.513 3.421 18 2H2* T 2 2H2* T 2 -0.531 3.801 2.822 19 H1* T 2 H1* T 2 0.414 1.829 2.464 20 H3 T 2 H3 T 2 3.335 0.362 5.684 21 1H5M T 2 1H5M T 2 6.524 2.643 2.588 22 2H5M T 2 2H5M T 2 5.815 4.251 2.839 23 3H5M T 2 3H5M T 2 6.608 3.416 4.183 24 H6 T 2 H6 T 2 3.568 3.726 2.266 25 1H5* C 3 1H5* C 3 -2.795 5.412 -0.562 26 2H5* C 3 2H5* C 3 -4.307 5.755 0.291 27 H4* C 3 H4* C 3 -4.251 3.629 -1.063 28 H3* C 3 H3* C 3 -4.693 3.295 1.929 29 H1* C 3 H1* C 3 -3.288 1.031 -0.884 30 1H4 C 3 1H4 C 3 -0.141 -1.198 4.644 31 2H4 C 3 2H4 C 3 -0.005 -2.458 3.432 32 H5 C 3 H5 C 3 -1.440 0.863 4.263 33 H6 C 3 H6 C 3 -2.735 2.077 2.661 34 1H2* C 3 1H2* C 3 -5.032 0.959 1.405 35 2H2* C 3 2H2* C 3 -5.401 1.342 -0.286 36 1H5* A 4 1H5* A 4 -8.044 1.242 -0.654 37 2H5* A 4 2H5* A 4 -9.451 1.192 0.423 38 H4* A 4 H4* A 4 -8.169 -1.018 -0.519 39 H3* A 4 H3* A 4 -10.249 -0.844 1.189 40 H1* A 4 H1* A 4 -7.042 -2.263 2.527 41 H8 A 4 H8 A 4 -7.474 1.115 4.279 42 1H6 A 4 1H6 A 4 -2.322 -0.475 7.269 43 2H6 A 4 2H6 A 4 -3.635 0.683 7.161 44 H2 A 4 H2 A 4 -2.870 -3.332 3.873 45 2H2* A 4 2H2* A 4 -9.109 -1.606 3.497 46 1H2* A 4 1H2* A 4 -8.926 0.076 2.956 47 1H5* C 5 1H5* C 5 -7.306 -4.244 1.693 48 2H5* C 5 2H5* C 5 -7.977 -5.854 1.957 49 H4* C 5 H4* C 5 -5.739 -5.257 3.089 50 H3* C 5 H3* C 5 -7.632 -7.073 3.913 51 H1* C 5 H1* C 5 -5.992 -4.572 6.195 52 1H4 C 5 1H4 C 5 -10.208 0.553 7.414 53 2H4 C 5 2H4 C 5 -8.720 0.891 8.275 54 H5 C 5 H5 C 5 -10.473 -1.444 5.963 55 H6 C 5 H6 C 5 -9.366 -3.436 5.168 56 2H2* C 5 2H2* C 5 -7.692 -6.222 6.486 57 1H2* C 5 1H2* C 5 -8.767 -5.483 5.277 58 1H5* C 6 1H5* C 6 -7.596 -10.865 3.645 59 2H5* C 6 2H5* C 6 -5.842 -10.926 3.685 60 H4* C 6 H4* C 6 -7.573 -10.160 1.554 61 H3* C 6 H3* C 6 -4.553 -9.892 1.800 62 H1* C 6 H1* C 6 -7.301 -7.903 0.015 63 1H4 C 6 1H4 C 6 -2.746 -3.222 1.579 64 2H4 C 6 2H4 C 6 -4.185 -2.409 1.053 65 H5 C 6 H5 C 6 -2.971 -5.565 2.301 66 H6 C 6 H6 C 6 -4.053 -7.628 1.833 67 2H2* C 6 2H2* C 6 -6.215 -9.680 -0.741 68 1H2* C 6 1H2* C 6 -4.652 -8.925 -0.390 69 1H5* G 7 1H5* G 7 -4.268 -10.864 -1.654 70 2H5* G 7 2H5* G 7 -3.221 -12.243 -2.014 71 H4* G 7 H4* G 7 -2.494 -10.026 -3.024 72 H3* G 7 H3* G 7 -0.837 -11.966 -1.600 73 H1* G 7 H1* G 7 -0.613 -8.198 -2.183 74 H8 G 7 H8 G 7 -0.173 -9.236 1.557 75 H1 G 7 H1 G 7 -0.627 -2.899 0.671 76 1H2 G 7 1H2 G 7 -0.961 -3.654 -2.703 77 2H2 G 7 2H2 G 7 -1.062 -2.436 -1.444 78 2H2* G 7 2H2* G 7 1.029 -9.875 -1.682 79 1H2* G 7 1H2* G 7 0.131 -10.418 -0.249 80 1H5* A 8 1H5* A 8 2.460 -10.654 -3.332 81 2H5* A 8 2H5* A 8 3.225 -11.931 -4.286 82 H4* A 8 H4* A 8 4.616 -11.303 -2.373 83 H3* A 8 H3* A 8 3.862 -13.986 -2.955 84 H1* A 8 H1* A 8 4.062 -12.477 0.603 85 H8 A 8 H8 A 8 0.533 -13.815 -0.440 86 1H6 A 8 1H6 A 8 -1.689 -10.844 4.491 87 2H6 A 8 2H6 A 8 -2.082 -11.873 3.128 88 H2 A 8 H2 A 8 2.705 -10.031 4.281 89 2H2* A 8 2H2* A 8 3.898 -14.707 -0.299 90 1H2* A 8 1H2* A 8 2.482 -14.287 -1.243 91 1H5* C 9 1H5* C 9 7.961 -13.467 -3.432 92 2H5* C 9 2H5* C 9 9.458 -13.923 -2.599 93 H4* C 9 H4* C 9 9.537 -11.668 -3.720 94 H3* C 9 H3* C 9 9.786 -11.690 -0.681 95 H1* C 9 H1* C 9 8.360 -8.951 -2.989 96 1H4 C 9 1H4 C 9 6.107 -8.321 3.312 97 2H4 C 9 2H4 C 9 5.997 -6.747 2.552 98 H5 C 9 H5 C 9 6.753 -10.357 2.053 99 H6 C 9 H6 C 9 7.688 -11.129 -0.017 100 H3T C 9 H3T C 9 11.444 -12.681 -1.935 101 2H2* C 9 2H2* C 9 10.516 -9.445 -2.585 102 1H2* C 9 1H2* C 9 10.147 -9.320 -0.844 103 1HN2 PXZ 17 1HN2 PXZ 17 1.983 1.056 0.245 104 2HN2 PXZ 17 2HN2 PXZ 17 1.845 0.385 -1.364 105 H7 PXZ 17 H7 PXZ 17 3.443 -9.187 1.050 106 H8 PXZ 17 H8 PXZ 17 3.313 -8.925 -1.395 107 1H15 PXZ 17 1H15 PXZ 17 2.439 -2.985 3.991 108 2H15 PXZ 17 2H15 PXZ 17 3.422 -1.509 3.925 109 3H15 PXZ 17 3H15 PXZ 17 4.169 -3.082 3.610 110 1H16 PXZ 17 1H16 PXZ 17 2.232 -6.956 3.392 111 2H16 PXZ 17 2H16 PXZ 17 3.972 -6.631 3.421 112 3H16 PXZ 17 3H16 PXZ 17 3.384 -8.293 3.244 113 H THR 18 H THR 18 4.275 -2.864 -2.442 114 HA THR 18 HA THR 18 2.818 -1.665 -4.768 115 HB THR 18 HB THR 18 5.042 -0.985 -5.590 116 1HG2 THR 18 1HG2 THR 18 3.658 0.671 -4.458 117 2HG2 THR 18 2HG2 THR 18 4.278 0.181 -2.875 118 3HG2 THR 18 3HG2 THR 18 5.354 0.958 -4.047 119 1HN DVA 19 1HN DVA 19 3.458 -2.457 -6.822 120 HA DVA 19 HA DVA 19 5.650 -4.127 -7.182 121 HB DVA 19 HB DVA 19 3.394 -3.472 -9.094 122 1HG1 DVA 19 1HG1 DVA 19 4.804 -5.366 -9.916 123 2HG1 DVA 19 2HG1 DVA 19 6.251 -4.360 -9.674 124 3HG1 DVA 19 3HG1 DVA 19 5.029 -3.896 -10.870 125 1HG2 DVA 19 1HG2 DVA 19 6.060 -2.095 -8.530 126 2HG2 DVA 19 2HG2 DVA 19 4.446 -1.419 -8.226 127 3HG2 DVA 19 3HG2 DVA 19 4.979 -1.706 -9.882 128 HA PRO 20 HA PRO 20 6.168 -5.696 -5.598 129 1HB PRO 20 1HB PRO 20 7.423 -8.117 -5.604 130 2HB PRO 20 2HB PRO 20 5.947 -7.800 -4.645 131 1HG PRO 20 1HG PRO 20 6.131 -9.055 -7.405 132 2HG PRO 20 2HG PRO 20 5.284 -9.703 -5.967 133 1HD PRO 20 1HD PRO 20 3.946 -8.272 -7.855 134 2HD PRO 20 2HD PRO 20 3.596 -8.050 -6.118 135 1HA SAR 21 1HA SAR 21 9.794 -5.366 -5.567 136 2HA SAR 21 2HA SAR 21 8.257 -5.948 -4.973 137 1HN SAR 21 1HN SAR 21 8.904 -4.870 -8.939 138 2HN SAR 21 2HN SAR 21 9.850 -6.277 -8.402 139 3HN SAR 21 3HN SAR 21 10.138 -4.675 -7.694 140 1HN MVA 22 1HN MVA 22 9.267 -3.682 -2.156 141 2HN MVA 22 2HN MVA 22 10.128 -4.556 -3.417 142 3HN MVA 22 3HN MVA 22 8.497 -5.063 -2.923 143 HA MVA 22 HA MVA 22 8.271 -1.865 -2.699 144 HB MVA 22 HB MVA 22 10.555 -1.774 -3.432 145 1HG1 MVA 22 1HG1 MVA 22 9.620 -0.654 -6.104 146 2HG1 MVA 22 2HG1 MVA 22 10.455 -2.196 -5.823 147 3HG1 MVA 22 3HG1 MVA 22 11.275 -0.673 -5.488 148 1HG2 MVA 22 1HG2 MVA 22 9.171 0.874 -3.957 149 2HG2 MVA 22 2HG2 MVA 22 9.503 0.154 -2.364 150 3HG2 MVA 22 3HG2 MVA 22 10.841 0.601 -3.435 151 H THR 23 H THR 23 1.114 -5.451 -2.574 152 HA THR 23 HA THR 23 2.330 -6.067 -5.215 153 HB THR 23 HB THR 23 0.230 -6.722 -6.164 154 1HG2 THR 23 1HG2 THR 23 1.621 -8.564 -5.387 155 2HG2 THR 23 2HG2 THR 23 0.858 -8.512 -3.792 156 3HG2 THR 23 3HG2 THR 23 -0.085 -8.962 -5.225 157 1HN DVA 24 1HN DVA 24 1.267 -4.861 -6.964 158 HA DVA 24 HA DVA 24 -0.956 -3.262 -6.535 159 HB DVA 24 HB DVA 24 0.984 -3.235 -8.858 160 1HG1 DVA 24 1HG1 DVA 24 -1.936 -2.366 -8.704 161 2HG1 DVA 24 2HG1 DVA 24 -0.940 -2.430 -10.169 162 3HG1 DVA 24 3HG1 DVA 24 -0.549 -1.269 -8.897 163 1HG2 DVA 24 1HG2 DVA 24 -0.673 -4.797 -9.878 164 2HG2 DVA 24 2HG2 DVA 24 -1.546 -4.862 -8.336 165 3HG2 DVA 24 3HG2 DVA 24 0.103 -5.506 -8.464 166 HA PRO 25 HA PRO 25 -1.264 -2.254 -4.573 167 1HB PRO 25 1HB PRO 25 -2.475 -0.029 -3.588 168 2HB PRO 25 2HB PRO 25 -0.855 -0.547 -3.048 169 1HG PRO 25 1HG PRO 25 -1.499 1.515 -5.169 170 2HG PRO 25 2HG PRO 25 -0.408 1.694 -3.763 171 1HD PRO 25 1HD PRO 25 0.513 1.007 -6.252 172 2HD PRO 25 2HD PRO 25 1.247 0.337 -4.772 173 1HA SAR 26 1HA SAR 26 -4.836 -2.816 -4.220 174 2HA SAR 26 2HA SAR 26 -3.196 -2.522 -3.703 175 1HN SAR 26 1HN SAR 26 -4.474 -2.015 -7.617 176 2HN SAR 26 2HN SAR 26 -5.262 -0.864 -6.514 177 3HN SAR 26 3HN SAR 26 -5.547 -2.607 -6.346 178 1HN MVA 27 1HN MVA 27 -3.867 -5.820 -1.989 179 2HN MVA 27 2HN MVA 27 -4.794 -4.443 -2.588 180 3HN MVA 27 3HN MVA 27 -3.072 -4.264 -2.200 181 HA MVA 27 HA MVA 27 -3.233 -7.245 -3.405 182 HB MVA 27 HB MVA 27 -4.588 -6.856 -6.088 183 1HG1 MVA 27 1HG1 MVA 27 -3.673 -9.154 -5.519 184 2HG1 MVA 27 2HG1 MVA 27 -5.432 -9.107 -5.665 185 3HG1 MVA 27 3HG1 MVA 27 -4.683 -9.138 -4.061 186 1HG2 MVA 27 1HG2 MVA 27 -6.012 -5.688 -4.479 187 2HG2 MVA 27 2HG2 MVA 27 -5.867 -7.035 -3.326 188 3HG2 MVA 27 3HG2 MVA 27 -6.729 -7.252 -4.861 Start of MODEL 4 1 1H5* G 1 1H5* G 1 7.609 4.170 -1.406 2 2H5* G 1 2H5* G 1 7.757 3.381 0.180 3 H4* G 1 H4* G 1 6.888 1.979 -2.401 4 H3* G 1 H3* G 1 5.366 3.494 -0.333 5 H1* G 1 H1* G 1 5.546 -0.084 -1.670 6 H8 G 1 H8 G 1 5.849 0.315 2.208 7 H1 G 1 H1 G 1 6.064 -5.751 0.136 8 1H2 G 1 1H2 G 1 5.496 -4.399 -3.031 9 2H2 G 1 2H2 G 1 5.896 -5.818 -2.087 10 2H2* G 1 2H2* G 1 3.716 1.224 -0.839 11 1H2* G 1 1H2* G 1 4.585 1.617 0.661 12 H5T G 1 H5T G 1 9.739 3.489 -0.959 13 1H5* T 2 1H5* T 2 1.675 2.491 -1.812 14 2H5* T 2 2H5* T 2 0.838 4.048 -1.991 15 H4* T 2 H4* T 2 -0.097 2.690 -0.127 16 H3* T 2 H3* T 2 1.313 5.274 0.647 17 1H2* T 2 1H2* T 2 1.155 4.732 2.846 18 2H2* T 2 2H2* T 2 -0.442 3.968 2.673 19 H1* T 2 H1* T 2 0.388 1.922 2.296 20 H3 T 2 H3 T 2 3.233 0.492 5.573 21 1H5M T 2 1H5M T 2 6.436 2.720 2.324 22 2H5M T 2 2H5M T 2 5.837 4.314 2.829 23 3H5M T 2 3H5M T 2 6.661 3.269 3.997 24 H6 T 2 H6 T 2 3.594 3.746 2.060 25 1H5* C 3 1H5* C 3 -3.265 5.442 -0.923 26 2H5* C 3 2H5* C 3 -4.714 5.703 0.054 27 H4* C 3 H4* C 3 -4.588 3.517 -1.209 28 H3* C 3 H3* C 3 -4.785 3.350 1.818 29 H1* C 3 H1* C 3 -3.484 1.014 -0.956 30 1H4 C 3 1H4 C 3 -0.122 -1.001 4.526 31 2H4 C 3 2H4 C 3 0.013 -2.288 3.342 32 H5 C 3 H5 C 3 -1.453 1.037 4.124 33 H6 C 3 H6 C 3 -2.736 2.231 2.499 34 1H2* C 3 1H2* C 3 -5.069 0.982 1.459 35 2H2* C 3 2H2* C 3 -5.560 1.240 -0.225 36 1H5* A 4 1H5* A 4 -7.855 1.261 -0.411 37 2H5* A 4 2H5* A 4 -9.439 1.159 0.367 38 H4* A 4 H4* A 4 -8.132 -1.021 -0.333 39 H3* A 4 H3* A 4 -10.214 -0.848 1.385 40 H1* A 4 H1* A 4 -6.965 -2.255 2.671 41 H8 A 4 H8 A 4 -7.437 1.124 4.438 42 1H6 A 4 1H6 A 4 -2.163 -0.306 7.301 43 2H6 A 4 2H6 A 4 -3.506 0.819 7.217 44 H2 A 4 H2 A 4 -2.757 -3.238 3.977 45 2H2* A 4 2H2* A 4 -9.040 -1.678 3.666 46 1H2* A 4 1H2* A 4 -8.908 0.020 3.184 47 1H5* C 5 1H5* C 5 -7.252 -4.236 1.831 48 2H5* C 5 2H5* C 5 -7.903 -5.854 2.099 49 H4* C 5 H4* C 5 -5.659 -5.241 3.202 50 H3* C 5 H3* C 5 -7.524 -7.070 4.059 51 H1* C 5 H1* C 5 -5.858 -4.559 6.306 52 1H4 C 5 1H4 C 5 -10.078 0.541 7.611 53 2H4 C 5 2H4 C 5 -8.573 0.891 8.436 54 H5 C 5 H5 C 5 -10.363 -1.461 6.171 55 H6 C 5 H6 C 5 -9.261 -3.448 5.353 56 2H2* C 5 2H2* C 5 -7.546 -6.219 6.632 57 1H2* C 5 1H2* C 5 -8.646 -5.487 5.440 58 1H5* C 6 1H5* C 6 -7.473 -10.852 3.796 59 2H5* C 6 2H5* C 6 -5.719 -10.911 3.813 60 H4* C 6 H4* C 6 -7.478 -10.148 1.704 61 H3* C 6 H3* C 6 -4.455 -9.877 1.915 62 H1* C 6 H1* C 6 -7.230 -7.902 0.159 63 1H4 C 6 1H4 C 6 -2.718 -3.170 1.685 64 2H4 C 6 2H4 C 6 -4.175 -2.376 1.184 65 H5 C 6 H5 C 6 -2.894 -5.520 2.388 66 H6 C 6 H6 C 6 -3.956 -7.597 1.928 67 2H2* C 6 2H2* C 6 -6.137 -9.668 -0.613 68 1H2* C 6 1H2* C 6 -4.574 -8.909 -0.268 69 1H5* G 7 1H5* G 7 -4.202 -10.876 -1.513 70 2H5* G 7 2H5* G 7 -3.141 -12.242 -1.882 71 H4* G 7 H4* G 7 -2.457 -10.011 -2.893 72 H3* G 7 H3* G 7 -0.744 -11.930 -1.489 73 H1* G 7 H1* G 7 -0.604 -8.168 -2.105 74 H8 G 7 H8 G 7 -0.066 -9.138 1.640 75 H1 G 7 H1 G 7 -0.639 -2.823 0.663 76 1H2 G 7 1H2 G 7 -0.995 -3.634 -2.694 77 2H2 G 7 2H2 G 7 -1.112 -2.400 -1.452 78 2H2* G 7 2H2* G 7 1.076 -9.803 -1.621 79 1H2* G 7 1H2* G 7 0.218 -10.356 -0.164 80 1H5* A 8 1H5* A 8 2.455 -10.687 -3.287 81 2H5* A 8 2H5* A 8 3.272 -11.979 -4.174 82 H4* A 8 H4* A 8 4.534 -11.314 -2.155 83 H3* A 8 H3* A 8 3.605 -14.077 -2.593 84 H1* A 8 H1* A 8 4.099 -12.059 0.732 85 H8 A 8 H8 A 8 0.680 -13.764 -0.197 86 1H6 A 8 1H6 A 8 -1.700 -10.704 4.617 87 2H6 A 8 2H6 A 8 -2.046 -11.792 3.289 88 H2 A 8 H2 A 8 2.681 -9.795 4.442 89 2H2* A 8 2H2* A 8 4.418 -14.278 0.145 90 1H2* A 8 1H2* A 8 2.819 -14.446 -0.562 91 1H5* C 9 1H5* C 9 7.713 -13.204 -4.004 92 2H5* C 9 2H5* C 9 9.254 -13.924 -3.509 93 H4* C 9 H4* C 9 9.413 -11.495 -4.013 94 H3* C 9 H3* C 9 9.815 -12.181 -1.070 95 H1* C 9 H1* C 9 8.636 -9.017 -2.933 96 1H4 C 9 1H4 C 9 6.297 -8.310 3.326 97 2H4 C 9 2H4 C 9 6.089 -6.779 2.502 98 H5 C 9 H5 C 9 7.133 -10.329 2.167 99 H6 C 9 H6 C 9 8.130 -11.115 0.114 100 H3T C 9 H3T C 9 11.998 -11.934 -1.744 101 2H2* C 9 2H2* C 9 10.716 -9.667 -2.500 102 1H2* C 9 1H2* C 9 10.330 -9.866 -0.774 103 1HN2 PXZ 17 1HN2 PXZ 17 2.051 1.072 0.232 104 2HN2 PXZ 17 2HN2 PXZ 17 1.894 0.400 -1.374 105 H7 PXZ 17 H7 PXZ 17 3.381 -9.188 1.047 106 H8 PXZ 17 H8 PXZ 17 3.239 -8.928 -1.398 107 1H15 PXZ 17 1H15 PXZ 17 2.478 -2.968 3.983 108 2H15 PXZ 17 2H15 PXZ 17 3.481 -1.505 3.908 109 3H15 PXZ 17 3H15 PXZ 17 4.204 -3.089 3.591 110 1H16 PXZ 17 1H16 PXZ 17 2.215 -6.937 3.392 111 2H16 PXZ 17 2H16 PXZ 17 3.959 -6.635 3.410 112 3H16 PXZ 17 3H16 PXZ 17 3.348 -8.290 3.239 113 H THR 18 H THR 18 4.274 -2.882 -2.462 114 HA THR 18 HA THR 18 2.818 -1.669 -4.781 115 HB THR 18 HB THR 18 5.045 -1.020 -5.618 116 1HG2 THR 18 1HG2 THR 18 3.690 0.657 -4.480 117 2HG2 THR 18 2HG2 THR 18 4.314 0.161 -2.901 118 3HG2 THR 18 3HG2 THR 18 5.393 0.922 -4.081 119 1HN DVA 19 1HN DVA 19 3.434 -2.472 -6.837 120 HA DVA 19 HA DVA 19 5.602 -4.172 -7.209 121 HB DVA 19 HB DVA 19 3.342 -3.491 -9.107 122 1HG1 DVA 19 1HG1 DVA 19 4.721 -5.404 -9.935 123 2HG1 DVA 19 2HG1 DVA 19 6.184 -4.417 -9.704 124 3HG1 DVA 19 3HG1 DVA 19 4.959 -3.940 -10.892 125 1HG2 DVA 19 1HG2 DVA 19 6.029 -2.148 -8.562 126 2HG2 DVA 19 2HG2 DVA 19 4.426 -1.450 -8.250 127 3HG2 DVA 19 3HG2 DVA 19 4.945 -1.747 -9.908 128 HA PRO 20 HA PRO 20 6.109 -5.746 -5.625 129 1HB PRO 20 1HB PRO 20 7.332 -8.182 -5.635 130 2HB PRO 20 2HB PRO 20 5.867 -7.845 -4.666 131 1HG PRO 20 1HG PRO 20 6.016 -9.106 -7.425 132 2HG PRO 20 2HG PRO 20 5.170 -9.741 -5.980 133 1HD PRO 20 1HD PRO 20 3.839 -8.295 -7.862 134 2HD PRO 20 2HD PRO 20 3.503 -8.066 -6.124 135 1HA SAR 21 1HA SAR 21 9.739 -5.462 -5.618 136 2HA SAR 21 2HA SAR 21 8.198 -6.023 -5.013 137 1HN SAR 21 1HN SAR 21 8.834 -4.962 -8.985 138 2HN SAR 21 2HN SAR 21 9.765 -6.379 -8.452 139 3HN SAR 21 3HN SAR 21 10.078 -4.780 -7.748 140 1HN MVA 22 1HN MVA 22 9.257 -3.766 -2.206 141 2HN MVA 22 2HN MVA 22 10.098 -4.653 -3.471 142 3HN MVA 22 3HN MVA 22 8.463 -5.138 -2.966 143 HA MVA 22 HA MVA 22 8.281 -1.937 -2.746 144 HB MVA 22 HB MVA 22 10.561 -1.878 -3.494 145 1HG1 MVA 22 1HG1 MVA 22 9.623 -0.750 -6.162 146 2HG1 MVA 22 2HG1 MVA 22 10.440 -2.302 -5.884 147 3HG1 MVA 22 3HG1 MVA 22 11.282 -0.790 -5.557 148 1HG2 MVA 22 1HG2 MVA 22 9.209 0.787 -4.015 149 2HG2 MVA 22 2HG2 MVA 22 9.542 0.066 -2.424 150 3HG2 MVA 22 3HG2 MVA 22 10.878 0.493 -3.503 151 H THR 23 H THR 23 1.078 -5.428 -2.568 152 HA THR 23 HA THR 23 2.269 -6.064 -5.216 153 HB THR 23 HB THR 23 0.155 -6.694 -6.150 154 1HG2 THR 23 1HG2 THR 23 1.526 -8.553 -5.379 155 2HG2 THR 23 2HG2 THR 23 0.774 -8.487 -3.779 156 3HG2 THR 23 3HG2 THR 23 -0.183 -8.928 -5.205 157 1HN DVA 24 1HN DVA 24 1.211 -4.848 -6.961 158 HA DVA 24 HA DVA 24 -0.988 -3.219 -6.520 159 HB DVA 24 HB DVA 24 0.937 -3.221 -8.856 160 1HG1 DVA 24 1HG1 DVA 24 -1.970 -2.314 -8.684 161 2HG1 DVA 24 2HG1 DVA 24 -0.985 -2.394 -10.156 162 3HG1 DVA 24 3HG1 DVA 24 -0.570 -1.236 -8.889 163 1HG2 DVA 24 1HG2 DVA 24 -0.747 -4.764 -9.862 164 2HG2 DVA 24 2HG2 DVA 24 -1.611 -4.814 -8.314 165 3HG2 DVA 24 3HG2 DVA 24 0.029 -5.480 -8.452 166 HA PRO 25 HA PRO 25 -1.270 -2.204 -4.558 167 1HB PRO 25 1HB PRO 25 -2.445 0.039 -3.570 168 2HB PRO 25 2HB PRO 25 -0.829 -0.500 -3.039 169 1HG PRO 25 1HG PRO 25 -1.460 1.567 -5.160 170 2HG PRO 25 2HG PRO 25 -0.357 1.735 -3.761 171 1HD PRO 25 1HD PRO 25 0.539 1.031 -6.254 172 2HD PRO 25 2HD PRO 25 1.274 0.354 -4.779 173 1HA SAR 26 1HA SAR 26 -4.847 -2.718 -4.181 174 2HA SAR 26 2HA SAR 26 -3.200 -2.444 -3.676 175 1HN SAR 26 1HN SAR 26 -4.496 -1.928 -7.581 176 2HN SAR 26 2HN SAR 26 -5.262 -0.765 -6.476 177 3HN SAR 26 3HN SAR 26 -5.569 -2.503 -6.303 178 1HN MVA 27 1HN MVA 27 -3.903 -5.731 -1.951 179 2HN MVA 27 2HN MVA 27 -4.816 -4.343 -2.546 180 3HN MVA 27 3HN MVA 27 -3.089 -4.186 -2.169 181 HA MVA 27 HA MVA 27 -3.297 -7.166 -3.369 182 HB MVA 27 HB MVA 27 -4.664 -6.764 -6.043 183 1HG1 MVA 27 1HG1 MVA 27 -3.776 -9.073 -5.476 184 2HG1 MVA 27 2HG1 MVA 27 -5.536 -9.003 -5.611 185 3HG1 MVA 27 3HG1 MVA 27 -4.776 -9.041 -4.012 186 1HG2 MVA 27 1HG2 MVA 27 -6.062 -5.575 -4.427 187 2HG2 MVA 27 2HG2 MVA 27 -5.928 -6.921 -3.272 188 3HG2 MVA 27 3HG2 MVA 27 -6.803 -7.129 -4.802 Start of MODEL 5 1 1H5* G 1 1H5* G 1 8.061 3.829 -0.471 2 2H5* G 1 2H5* G 1 8.212 2.742 0.928 3 H4* G 1 H4* G 1 7.047 1.963 -1.799 4 H3* G 1 H3* G 1 5.811 2.822 0.831 5 H1* G 1 H1* G 1 5.755 -0.279 -1.478 6 H8 G 1 H8 G 1 6.054 -0.256 2.416 7 H1 G 1 H1 G 1 6.212 -6.100 -0.220 8 1H2 G 1 1H2 G 1 5.571 -4.459 -3.231 9 2H2 G 1 2H2 G 1 5.987 -5.961 -2.431 10 2H2* G 1 2H2* G 1 4.061 1.125 -0.802 11 1H2* G 1 1H2* G 1 4.485 0.993 0.912 12 H5T G 1 H5T G 1 9.510 1.394 -0.416 13 1H5* T 2 1H5* T 2 2.227 2.545 -1.413 14 2H5* T 2 2H5* T 2 1.825 4.192 -1.929 15 H4* T 2 H4* T 2 -0.165 3.041 -1.048 16 H3* T 2 H3* T 2 0.645 5.645 -0.400 17 1H2* T 2 1H2* T 2 1.531 5.117 1.725 18 2H2* T 2 2H2* T 2 -0.146 5.456 2.221 19 H1* T 2 H1* T 2 -0.738 3.179 2.128 20 H3 T 2 H3 T 2 0.877 2.232 6.280 21 1H5M T 2 1H5M T 2 5.175 1.556 4.607 22 2H5M T 2 2H5M T 2 4.646 0.555 3.242 23 3H5M T 2 3H5M T 2 5.093 2.263 2.991 24 H6 T 2 H6 T 2 2.906 2.614 1.943 25 1H5* C 3 1H5* C 3 -4.959 5.693 0.832 26 2H5* C 3 2H5* C 3 -4.545 4.844 2.327 27 H4* C 3 H4* C 3 -3.882 3.960 -0.532 28 H3* C 3 H3* C 3 -5.823 3.119 1.596 29 H1* C 3 H1* C 3 -2.903 1.530 -0.372 30 1H4 C 3 1H4 C 3 0.065 -1.274 4.967 31 2H4 C 3 2H4 C 3 0.276 -2.405 3.646 32 H5 C 3 H5 C 3 -1.350 0.718 4.768 33 H6 C 3 H6 C 3 -2.680 2.035 3.250 34 1H2* C 3 1H2* C 3 -4.944 1.056 1.818 35 2H2* C 3 2H2* C 3 -5.028 0.767 0.072 36 1H5* A 4 1H5* A 4 -7.075 -0.026 -1.290 37 2H5* A 4 2H5* A 4 -8.828 -0.047 -1.007 38 H4* A 4 H4* A 4 -7.402 -2.096 -0.300 39 H3* A 4 H3* A 4 -9.813 -1.149 0.825 40 H1* A 4 H1* A 4 -6.879 -2.462 2.656 41 H8 A 4 H8 A 4 -7.566 0.833 4.398 42 1H6 A 4 1H6 A 4 -2.477 -0.439 7.647 43 2H6 A 4 2H6 A 4 -3.862 0.625 7.485 44 H2 A 4 H2 A 4 -2.653 -3.281 4.193 45 2H2* A 4 2H2* A 4 -9.027 -1.570 3.394 46 1H2* A 4 1H2* A 4 -8.684 -0.024 2.575 47 1H5* C 5 1H5* C 5 -7.216 -4.467 2.023 48 2H5* C 5 2H5* C 5 -7.897 -6.035 2.437 49 H4* C 5 H4* C 5 -5.649 -5.278 3.494 50 H3* C 5 H3* C 5 -7.501 -7.089 4.446 51 H1* C 5 H1* C 5 -5.888 -4.407 6.530 52 1H4 C 5 1H4 C 5 -10.196 0.704 7.479 53 2H4 C 5 2H4 C 5 -8.794 1.014 8.482 54 H5 C 5 H5 C 5 -10.353 -1.284 6.000 55 H6 C 5 H6 C 5 -9.212 -3.301 5.317 56 2H2* C 5 2H2* C 5 -7.570 -6.068 6.951 57 1H2* C 5 1H2* C 5 -8.658 -5.407 5.704 58 1H5* C 6 1H5* C 6 -7.228 -10.879 4.181 59 2H5* C 6 2H5* C 6 -5.475 -10.819 4.214 60 H4* C 6 H4* C 6 -7.295 -10.123 2.106 61 H3* C 6 H3* C 6 -4.276 -9.791 2.292 62 H1* C 6 H1* C 6 -7.104 -7.881 0.569 63 1H4 C 6 1H4 C 6 -2.544 -3.113 1.807 64 2H4 C 6 2H4 C 6 -4.007 -2.341 1.289 65 H5 C 6 H5 C 6 -2.750 -5.414 2.669 66 H6 C 6 H6 C 6 -3.841 -7.499 2.341 67 2H2* C 6 2H2* C 6 -6.009 -9.636 -0.217 68 1H2* C 6 1H2* C 6 -4.451 -8.855 0.084 69 1H5* G 7 1H5* G 7 -4.179 -10.766 -1.240 70 2H5* G 7 2H5* G 7 -3.124 -12.119 -1.659 71 H4* G 7 H4* G 7 -2.561 -9.881 -2.748 72 H3* G 7 H3* G 7 -0.753 -11.808 -1.525 73 H1* G 7 H1* G 7 -0.593 -8.027 -2.042 74 H8 G 7 H8 G 7 0.146 -9.135 1.634 75 H1 G 7 H1 G 7 -0.446 -2.781 0.956 76 1H2 G 7 1H2 G 7 -0.945 -3.428 -2.414 77 2H2 G 7 2H2 G 7 -1.014 -2.257 -1.105 78 2H2* G 7 2H2* G 7 1.088 -9.714 -1.676 79 1H2* G 7 1H2* G 7 0.283 -10.283 -0.199 80 1H5* A 8 1H5* A 8 2.403 -10.466 -3.432 81 2H5* A 8 2H5* A 8 3.029 -11.683 -4.549 82 H4* A 8 H4* A 8 4.644 -11.247 -2.783 83 H3* A 8 H3* A 8 3.715 -13.857 -3.421 84 H1* A 8 H1* A 8 4.327 -12.592 0.183 85 H8 A 8 H8 A 8 0.642 -13.671 -0.562 86 1H6 A 8 1H6 A 8 -0.911 -10.866 4.707 87 2H6 A 8 2H6 A 8 -1.493 -11.798 3.342 88 H2 A 8 H2 A 8 3.474 -10.237 4.074 89 2H2* A 8 2H2* A 8 3.918 -14.741 -0.827 90 1H2* A 8 1H2* A 8 2.460 -14.170 -1.608 91 1H5* C 9 1H5* C 9 7.826 -13.595 -4.242 92 2H5* C 9 2H5* C 9 9.348 -14.175 -3.540 93 H4* C 9 H4* C 9 9.490 -11.856 -4.496 94 H3* C 9 H3* C 9 9.867 -12.108 -1.482 95 H1* C 9 H1* C 9 8.442 -9.144 -3.500 96 1H4 C 9 1H4 C 9 6.326 -9.008 2.889 97 2H4 C 9 2H4 C 9 6.299 -7.367 2.271 98 H5 C 9 H5 C 9 6.908 -10.947 1.441 99 H6 C 9 H6 C 9 7.793 -11.552 -0.704 100 H3T C 9 H3T C 9 12.034 -11.815 -2.166 101 2H2* C 9 2H2* C 9 10.592 -9.738 -3.226 102 1H2* C 9 1H2* C 9 10.292 -9.746 -1.466 103 1HN2 PXZ 17 1HN2 PXZ 17 1.843 0.909 0.509 104 2HN2 PXZ 17 2HN2 PXZ 17 1.719 0.297 -1.121 105 H7 PXZ 17 H7 PXZ 17 3.506 -9.320 0.938 106 H8 PXZ 17 H8 PXZ 17 3.248 -8.992 -1.489 107 1H15 PXZ 17 1H15 PXZ 17 4.239 -3.324 3.674 108 2H15 PXZ 17 2H15 PXZ 17 2.533 -3.142 4.115 109 3H15 PXZ 17 3H15 PXZ 17 3.586 -1.717 4.023 110 1H16 PXZ 17 1H16 PXZ 17 4.246 -6.909 3.314 111 2H16 PXZ 17 2H16 PXZ 17 3.478 -8.498 3.160 112 3H16 PXZ 17 3H16 PXZ 17 2.482 -7.058 3.425 113 H THR 18 H THR 18 4.109 -3.027 -2.432 114 HA THR 18 HA THR 18 2.600 -1.682 -4.643 115 HB THR 18 HB THR 18 4.800 -1.052 -5.574 116 1HG2 THR 18 1HG2 THR 18 3.506 0.628 -4.403 117 2HG2 THR 18 2HG2 THR 18 4.159 0.116 -2.841 118 3HG2 THR 18 3HG2 THR 18 5.220 0.877 -4.036 119 1HN DVA 19 1HN DVA 19 3.119 -2.410 -6.744 120 HA DVA 19 HA DVA 19 5.257 -4.084 -7.290 121 HB DVA 19 HB DVA 19 2.879 -3.385 -9.032 122 1HG1 DVA 19 1HG1 DVA 19 4.222 -5.263 -9.989 123 2HG1 DVA 19 2HG1 DVA 19 5.687 -4.264 -9.825 124 3HG1 DVA 19 3HG1 DVA 19 4.386 -3.773 -10.923 125 1HG2 DVA 19 1HG2 DVA 19 3.994 -1.353 -8.194 126 2HG2 DVA 19 2HG2 DVA 19 4.414 -1.606 -9.887 127 3HG2 DVA 19 3HG2 DVA 19 5.582 -2.026 -8.619 128 HA PRO 20 HA PRO 20 5.883 -5.683 -5.785 129 1HB PRO 20 1HB PRO 20 7.118 -8.110 -5.909 130 2HB PRO 20 2HB PRO 20 5.706 -7.804 -4.855 131 1HG PRO 20 1HG PRO 20 5.709 -9.008 -7.644 132 2HG PRO 20 2HG PRO 20 4.958 -9.684 -6.166 133 1HD PRO 20 1HD PRO 20 3.498 -8.214 -7.930 134 2HD PRO 20 2HD PRO 20 3.272 -8.023 -6.169 135 1HA SAR 21 1HA SAR 21 9.521 -5.412 -6.010 136 2HA SAR 21 2HA SAR 21 8.029 -6.011 -5.323 137 1HN SAR 21 1HN SAR 21 8.386 -4.822 -9.293 138 2HN SAR 21 2HN SAR 21 9.358 -6.245 -8.855 139 3HN SAR 21 3HN SAR 21 9.707 -4.660 -8.135 140 1HN MVA 22 1HN MVA 22 9.995 -4.703 -3.854 141 2HN MVA 22 2HN MVA 22 8.403 -5.222 -3.257 142 3HN MVA 22 3HN MVA 22 9.242 -3.876 -2.498 143 HA MVA 22 HA MVA 22 8.131 -2.077 -2.871 144 HB MVA 22 HB MVA 22 10.383 -1.888 -3.637 145 1HG1 MVA 22 1HG1 MVA 22 9.387 -0.665 -6.241 146 2HG1 MVA 22 2HG1 MVA 22 10.229 -2.216 -6.047 147 3HG1 MVA 22 3HG1 MVA 22 11.054 -0.707 -5.658 148 1HG2 MVA 22 1HG2 MVA 22 10.625 0.488 -3.530 149 2HG2 MVA 22 2HG2 MVA 22 8.952 0.759 -4.040 150 3HG2 MVA 22 3HG2 MVA 22 9.293 -0.020 -2.480 151 H THR 23 H THR 23 0.985 -5.465 -2.436 152 HA THR 23 HA THR 23 2.054 -6.000 -5.153 153 HB THR 23 HB THR 23 -0.066 -6.640 -6.035 154 1HG2 THR 23 1HG2 THR 23 1.341 -8.509 -5.350 155 2HG2 THR 23 2HG2 THR 23 0.627 -8.491 -3.732 156 3HG2 THR 23 3HG2 THR 23 -0.361 -8.901 -5.148 157 1HN DVA 24 1HN DVA 24 0.918 -4.739 -6.801 158 HA DVA 24 HA DVA 24 -1.291 -3.163 -6.207 159 HB DVA 24 HB DVA 24 0.514 -3.068 -8.635 160 1HG1 DVA 24 1HG1 DVA 24 -2.396 -2.224 -8.289 161 2HG1 DVA 24 2HG1 DVA 24 -1.487 -2.243 -9.811 162 3HG1 DVA 24 3HG1 DVA 24 -1.028 -1.114 -8.533 163 1HG2 DVA 24 1HG2 DVA 24 -0.329 -5.356 -8.252 164 2HG2 DVA 24 2HG2 DVA 24 -1.186 -4.615 -9.602 165 3HG2 DVA 24 3HG2 DVA 24 -1.973 -4.728 -8.017 166 HA PRO 25 HA PRO 25 -1.490 -2.200 -4.212 167 1HB PRO 25 1HB PRO 25 -2.634 -0.004 -3.100 168 2HB PRO 25 2HB PRO 25 -0.981 -0.531 -2.678 169 1HG PRO 25 1HG PRO 25 -1.756 1.581 -4.702 170 2HG PRO 25 2HG PRO 25 -0.584 1.728 -3.359 171 1HD PRO 25 1HD PRO 25 0.188 1.099 -5.914 172 2HD PRO 25 2HD PRO 25 1.011 0.400 -4.497 173 1HA SAR 26 1HA SAR 26 -5.033 -2.804 -3.701 174 2HA SAR 26 2HA SAR 26 -3.363 -2.547 -3.269 175 1HN SAR 26 1HN SAR 26 -5.585 -0.768 -5.891 176 2HN SAR 26 2HN SAR 26 -5.862 -2.516 -5.774 177 3HN SAR 26 3HN SAR 26 -4.861 -1.876 -7.079 178 1HN MVA 27 1HN MVA 27 -4.012 -5.927 -1.678 179 2HN MVA 27 2HN MVA 27 -4.927 -4.499 -2.165 180 3HN MVA 27 3HN MVA 27 -3.184 -4.381 -1.846 181 HA MVA 27 HA MVA 27 -3.415 -7.277 -3.180 182 HB MVA 27 HB MVA 27 -4.888 -6.779 -5.781 183 1HG1 MVA 27 1HG1 MVA 27 -4.863 -9.152 -3.858 184 2HG1 MVA 27 2HG1 MVA 27 -3.935 -9.089 -5.366 185 3HG1 MVA 27 3HG1 MVA 27 -5.699 -9.057 -5.416 186 1HG2 MVA 27 1HG2 MVA 27 -6.245 -5.697 -4.057 187 2HG2 MVA 27 2HG2 MVA 27 -6.045 -7.097 -2.978 188 3HG2 MVA 27 3HG2 MVA 27 -6.971 -7.245 -4.484 Start of MODEL 6 1 1H5* G 1 1H5* G 1 6.914 4.316 -2.385 2 2H5* G 1 2H5* G 1 7.227 3.743 -0.732 3 H4* G 1 H4* G 1 6.270 1.988 -3.058 4 H3* G 1 H3* G 1 4.871 3.517 -0.886 5 H1* G 1 H1* G 1 5.246 -0.103 -2.078 6 H8 G 1 H8 G 1 5.434 0.745 1.708 7 H1 G 1 H1 G 1 6.268 -5.467 0.316 8 1H2 G 1 1H2 G 1 5.638 -4.503 -2.975 9 2H2 G 1 2H2 G 1 6.126 -5.786 -1.888 10 2H2* G 1 2H2* G 1 3.335 1.122 -1.491 11 1H2* G 1 1H2* G 1 4.017 1.653 0.059 12 H5T G 1 H5T G 1 8.790 2.337 -1.616 13 1H5* T 2 1H5* T 2 1.089 2.374 -2.061 14 2H5* T 2 2H5* T 2 0.215 3.906 -2.277 15 H4* T 2 H4* T 2 -0.664 2.638 -0.331 16 H3* T 2 H3* T 2 0.735 5.278 0.175 17 1H2* T 2 1H2* T 2 0.882 4.904 2.393 18 2H2* T 2 2H2* T 2 -0.746 4.196 2.503 19 H1* T 2 H1* T 2 -0.036 2.078 2.222 20 H3 T 2 H3 T 2 3.078 0.924 5.361 21 1H5M T 2 1H5M T 2 5.717 3.109 1.308 22 2H5M T 2 2H5M T 2 5.662 4.421 2.501 23 3H5M T 2 3H5M T 2 6.515 2.913 2.876 24 H6 T 2 H6 T 2 3.218 3.714 1.464 25 1H5* C 3 1H5* C 3 -4.705 5.796 1.733 26 2H5* C 3 2H5* C 3 -4.119 4.843 3.100 27 H4* C 3 H4* C 3 -3.992 4.093 0.133 28 H3* C 3 H3* C 3 -5.393 3.052 2.616 29 H1* C 3 H1* C 3 -2.968 1.584 -0.037 30 1H4 C 3 1H4 C 3 -0.207 -1.608 5.190 31 2H4 C 3 2H4 C 3 0.099 -2.630 3.804 32 H5 C 3 H5 C 3 -1.601 0.388 5.086 33 H6 C 3 H6 C 3 -2.831 1.842 3.626 34 1H2* C 3 1H2* C 3 -5.014 0.881 1.995 35 2H2* C 3 2H2* C 3 -5.172 1.233 0.267 36 1H5* A 4 1H5* A 4 -7.635 0.773 -0.606 37 2H5* A 4 2H5* A 4 -9.267 0.704 0.082 38 H4* A 4 H4* A 4 -7.805 -1.484 -0.247 39 H3* A 4 H3* A 4 -10.058 -1.103 1.279 40 H1* A 4 H1* A 4 -6.953 -2.534 2.739 41 H8 A 4 H8 A 4 -7.506 0.697 4.705 42 1H6 A 4 1H6 A 4 -2.533 -1.107 7.875 43 2H6 A 4 2H6 A 4 -3.853 0.044 7.785 44 H2 A 4 H2 A 4 -2.837 -3.671 4.221 45 2H2* A 4 2H2* A 4 -9.065 -1.852 3.673 46 1H2* A 4 1H2* A 4 -8.835 -0.180 3.109 47 1H5* C 5 1H5* C 5 -7.241 -4.490 1.922 48 2H5* C 5 2H5* C 5 -7.891 -6.111 2.156 49 H4* C 5 H4* C 5 -5.672 -5.447 3.322 50 H3* C 5 H3* C 5 -7.521 -7.354 4.078 51 H1* C 5 H1* C 5 -5.957 -4.863 6.422 52 1H4 C 5 1H4 C 5 -10.386 0.033 7.838 53 2H4 C 5 2H4 C 5 -8.971 0.308 8.833 54 H5 C 5 H5 C 5 -10.504 -1.824 6.189 55 H6 C 5 H6 C 5 -9.311 -3.741 5.322 56 2H2* C 5 2H2* C 5 -7.613 -6.580 6.672 57 1H2* C 5 1H2* C 5 -8.706 -5.829 5.483 58 1H5* C 6 1H5* C 6 -7.310 -11.119 3.596 59 2H5* C 6 2H5* C 6 -5.556 -11.089 3.630 60 H4* C 6 H4* C 6 -7.359 -10.242 1.568 61 H3* C 6 H3* C 6 -4.338 -9.954 1.792 62 H1* C 6 H1* C 6 -7.136 -7.907 0.172 63 1H4 C 6 1H4 C 6 -2.617 -3.232 1.858 64 2H4 C 6 2H4 C 6 -4.082 -2.429 1.395 65 H5 C 6 H5 C 6 -2.808 -5.605 2.505 66 H6 C 6 H6 C 6 -3.877 -7.662 1.978 67 2H2* C 6 2H2* C 6 -6.032 -9.613 -0.714 68 1H2* C 6 1H2* C 6 -4.472 -8.860 -0.334 69 1H5* G 7 1H5* G 7 -4.103 -10.694 -1.761 70 2H5* G 7 2H5* G 7 -3.041 -12.034 -2.216 71 H4* G 7 H4* G 7 -2.373 -9.746 -3.115 72 H3* G 7 H3* G 7 -0.644 -11.721 -1.801 73 H1* G 7 H1* G 7 -0.550 -7.927 -2.264 74 H8 G 7 H8 G 7 0.117 -9.164 1.363 75 H1 G 7 H1 G 7 -0.543 -2.802 1.016 76 1H2 G 7 1H2 G 7 -1.050 -3.264 -2.381 77 2H2 G 7 2H2 G 7 -1.133 -2.173 -1.003 78 2H2* G 7 2H2* G 7 1.162 -9.556 -1.975 79 1H2* G 7 1H2* G 7 0.414 -10.214 -0.507 80 1H5* A 8 1H5* A 8 2.631 -10.394 -3.489 81 2H5* A 8 2H5* A 8 3.382 -11.667 -4.456 82 H4* A 8 H4* A 8 4.760 -11.109 -2.513 83 H3* A 8 H3* A 8 4.030 -13.753 -3.187 84 H1* A 8 H1* A 8 4.126 -12.405 0.402 85 H8 A 8 H8 A 8 0.589 -13.690 -0.592 86 1H6 A 8 1H6 A 8 -1.580 -10.675 4.332 87 2H6 A 8 2H6 A 8 -1.967 -11.748 2.999 88 H2 A 8 H2 A 8 2.801 -9.783 4.011 89 2H2* A 8 2H2* A 8 3.801 -14.597 -0.600 90 1H2* A 8 1H2* A 8 2.475 -14.006 -1.584 91 1H5* C 9 1H5* C 9 8.224 -13.351 -3.251 92 2H5* C 9 2H5* C 9 9.583 -13.963 -2.289 93 H4* C 9 H4* C 9 9.917 -11.656 -3.276 94 H3* C 9 H3* C 9 9.891 -11.872 -0.237 95 H1* C 9 H1* C 9 8.966 -8.951 -2.580 96 1H4 C 9 1H4 C 9 6.367 -7.815 3.482 97 2H4 C 9 2H4 C 9 6.328 -6.304 2.598 98 H5 C 9 H5 C 9 6.943 -9.976 2.401 99 H6 C 9 H6 C 9 7.921 -10.945 0.427 100 H3T C 9 H3T C 9 12.147 -11.712 -0.635 101 2H2* C 9 2H2* C 9 10.994 -9.597 -1.910 102 1H2* C 9 1H2* C 9 10.432 -9.534 -0.220 103 1HN2 PXZ 17 1HN2 PXZ 17 1.869 1.024 0.537 104 2HN2 PXZ 17 2HN2 PXZ 17 1.758 0.414 -1.096 105 H7 PXZ 17 H7 PXZ 17 3.748 -9.169 0.933 106 H8 PXZ 17 H8 PXZ 17 3.483 -8.839 -1.493 107 1H15 PXZ 17 1H15 PXZ 17 4.355 -3.168 3.688 108 2H15 PXZ 17 2H15 PXZ 17 2.645 -3.024 4.130 109 3H15 PXZ 17 3H15 PXZ 17 3.668 -1.576 4.042 110 1H16 PXZ 17 1H16 PXZ 17 4.437 -6.751 3.316 111 2H16 PXZ 17 2H16 PXZ 17 3.703 -8.355 3.158 112 3H16 PXZ 17 3H16 PXZ 17 2.677 -6.937 3.427 113 H THR 18 H THR 18 4.218 -2.854 -2.417 114 HA THR 18 HA THR 18 2.681 -1.535 -4.624 115 HB THR 18 HB THR 18 4.867 -0.855 -5.553 116 1HG2 THR 18 1HG2 THR 18 3.537 0.794 -4.376 117 2HG2 THR 18 2HG2 THR 18 4.201 0.290 -2.816 118 3HG2 THR 18 3HG2 THR 18 5.246 1.077 -4.009 119 1HN DVA 19 1HN DVA 19 3.215 -2.245 -6.727 120 HA DVA 19 HA DVA 19 5.388 -3.871 -7.279 121 HB DVA 19 HB DVA 19 2.995 -3.217 -9.018 122 1HG1 DVA 19 1HG1 DVA 19 4.378 -5.063 -9.981 123 2HG1 DVA 19 2HG1 DVA 19 5.821 -4.035 -9.814 124 3HG1 DVA 19 3HG1 DVA 19 4.510 -3.567 -10.911 125 1HG2 DVA 19 1HG2 DVA 19 4.067 -1.165 -8.174 126 2HG2 DVA 19 2HG2 DVA 19 4.492 -1.403 -9.867 127 3HG2 DVA 19 3HG2 DVA 19 5.668 -1.803 -8.601 128 HA PRO 20 HA PRO 20 6.047 -5.462 -5.779 129 1HB PRO 20 1HB PRO 20 7.334 -7.861 -5.911 130 2HB PRO 20 2HB PRO 20 5.915 -7.589 -4.855 131 1HG PRO 20 1HG PRO 20 5.944 -8.784 -7.648 132 2HG PRO 20 2HG PRO 20 5.207 -9.480 -6.172 133 1HD PRO 20 1HD PRO 20 3.717 -8.035 -7.931 134 2HD PRO 20 2HD PRO 20 3.486 -7.855 -6.170 135 1HA SAR 21 1HA SAR 21 9.678 -5.113 -6.003 136 2HA SAR 21 2HA SAR 21 8.199 -5.745 -5.317 137 1HN SAR 21 1HN SAR 21 8.532 -4.537 -9.284 138 2HN SAR 21 2HN SAR 21 9.534 -5.940 -8.850 139 3HN SAR 21 3HN SAR 21 9.849 -4.350 -8.125 140 1HN MVA 22 1HN MVA 22 10.138 -4.401 -3.844 141 2HN MVA 22 2HN MVA 22 8.557 -4.955 -3.249 142 3HN MVA 22 3HN MVA 22 9.367 -3.595 -2.486 143 HA MVA 22 HA MVA 22 8.219 -1.818 -2.853 144 HB MVA 22 HB MVA 22 10.467 -1.579 -3.618 145 1HG1 MVA 22 1HG1 MVA 22 9.444 -0.369 -6.218 146 2HG1 MVA 22 2HG1 MVA 22 10.319 -1.902 -6.029 147 3HG1 MVA 22 3HG1 MVA 22 11.112 -0.378 -5.636 148 1HG2 MVA 22 1HG2 MVA 22 10.658 0.801 -3.503 149 2HG2 MVA 22 2HG2 MVA 22 8.979 1.038 -4.013 150 3HG2 MVA 22 3HG2 MVA 22 9.337 0.262 -2.455 151 H THR 23 H THR 23 1.146 -5.357 -2.429 152 HA THR 23 HA THR 23 2.226 -5.861 -5.147 153 HB THR 23 HB THR 23 0.120 -6.544 -6.031 154 1HG2 THR 23 1HG2 THR 23 1.566 -8.384 -5.353 155 2HG2 THR 23 2HG2 THR 23 0.852 -8.386 -3.734 156 3HG2 THR 23 3HG2 THR 23 -0.127 -8.813 -5.152 157 1HN DVA 24 1HN DVA 24 1.063 -4.619 -6.792 158 HA DVA 24 HA DVA 24 -1.179 -3.093 -6.193 159 HB DVA 24 HB DVA 24 0.624 -2.952 -8.620 160 1HG1 DVA 24 1HG1 DVA 24 -2.303 -2.170 -8.272 161 2HG1 DVA 24 2HG1 DVA 24 -1.394 -2.166 -9.793 162 3HG1 DVA 24 3HG1 DVA 24 -0.959 -1.031 -8.512 163 1HG2 DVA 24 1HG2 DVA 24 -0.171 -5.258 -8.245 164 2HG2 DVA 24 2HG2 DVA 24 -1.043 -4.531 -9.593 165 3HG2 DVA 24 3HG2 DVA 24 -1.827 -4.666 -8.008 166 HA PRO 25 HA PRO 25 -1.398 -2.140 -4.194 167 1HB PRO 25 1HB PRO 25 -2.588 0.027 -3.075 168 2HB PRO 25 2HB PRO 25 -0.924 -0.466 -2.655 169 1HG PRO 25 1HG PRO 25 -1.744 1.636 -4.673 170 2HG PRO 25 2HG PRO 25 -0.575 1.804 -3.329 171 1HD PRO 25 1HD PRO 25 0.210 1.199 -5.886 172 2HD PRO 25 2HD PRO 25 1.048 0.512 -4.471 173 1HA SAR 26 1HA SAR 26 -4.927 -2.821 -3.685 174 2HA SAR 26 2HA SAR 26 -3.263 -2.530 -3.253 175 1HN SAR 26 1HN SAR 26 -5.522 -0.790 -5.869 176 2HN SAR 26 2HN SAR 26 -5.763 -2.544 -5.757 177 3HN SAR 26 3HN SAR 26 -4.775 -1.879 -7.060 178 1HN MVA 27 1HN MVA 27 -3.840 -5.928 -1.673 179 2HN MVA 27 2HN MVA 27 -4.785 -4.518 -2.155 180 3HN MVA 27 3HN MVA 27 -3.044 -4.365 -1.835 181 HA MVA 27 HA MVA 27 -3.215 -7.261 -3.178 182 HB MVA 27 HB MVA 27 -4.698 -6.785 -5.778 183 1HG1 MVA 27 1HG1 MVA 27 -4.623 -9.163 -3.862 184 2HG1 MVA 27 2HG1 MVA 27 -3.696 -9.076 -5.371 185 3HG1 MVA 27 3HG1 MVA 27 -5.461 -9.081 -5.421 186 1HG2 MVA 27 1HG2 MVA 27 -6.078 -5.738 -4.050 187 2HG2 MVA 27 2HG2 MVA 27 -5.848 -7.137 -2.976 188 3HG2 MVA 27 3HG2 MVA 27 -6.771 -7.299 -4.483
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