NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22892 | 2jrq | 15342 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 27 1H5* C 27 44.080 13.626 -7.755 2 2H5* C 27 2H5* C 27 43.973 12.090 -8.636 3 H4* C 27 H4* C 27 45.073 13.546 -10.084 4 H3* C 27 H3* C 27 47.029 11.693 -8.756 5 H2* C 27 H2* C 27 48.809 12.769 -9.974 6 2HO* C 27 2HO* C 27 48.350 13.563 -11.889 7 H1* C 27 H1* C 27 47.923 15.369 -9.504 8 1H4 C 27 H42 C 27 52.033 14.092 -4.809 9 2H4 C 27 H41 C 27 50.701 13.540 -3.816 10 H5 C 27 H5 C 27 48.445 13.312 -4.647 11 H6 C 27 H6 C 27 46.997 13.585 -6.593 12 H5T C 27 H5T C 27 44.821 11.365 -6.839 13 1H5* C 28 1H5* C 28 48.023 11.755 -12.625 14 2H5* C 28 2H5* C 28 48.054 10.147 -13.376 15 H4* C 28 H4* C 28 50.063 11.149 -13.999 16 H3* C 28 H3* C 28 50.555 9.228 -11.730 17 H2* C 28 H2* C 28 52.898 9.780 -11.891 18 2HO* C 28 2HO* C 28 53.664 10.366 -13.783 19 H1* C 28 H1* C 28 52.481 12.531 -12.097 20 1H4 C 28 H42 C 28 53.361 11.394 -5.900 21 2H4 C 28 H41 C 28 51.622 11.232 -5.706 22 H5 C 28 H5 C 28 50.093 11.208 -7.559 23 H6 C 28 H6 C 28 49.889 11.392 -9.982 24 1H5* U 29 1H5* U 29 53.375 8.566 -14.595 25 2H5* U 29 2H5* U 29 53.512 6.854 -15.033 26 H4* U 29 H4* U 29 55.697 7.679 -14.648 27 H3* U 29 H3* U 29 54.768 5.889 -12.408 28 H2* U 29 H2* U 29 56.923 6.208 -11.379 29 2HO* U 29 2HO* U 29 58.617 6.727 -12.550 30 H1* U 29 H1* U 29 57.001 8.962 -11.814 31 H3 U 29 H3 U 29 56.301 8.043 -7.358 32 H5 U 29 H5 U 29 52.505 8.371 -9.138 33 H6 U 29 H6 U 29 53.595 8.329 -11.278 34 1H5* C 30 1H5* C 30 58.637 4.982 -13.348 35 2H5* C 30 2H5* C 30 58.849 3.242 -13.621 36 H4* C 30 H4* C 30 60.564 4.021 -12.145 37 H3* C 30 H3* C 30 58.529 2.235 -10.839 38 H2* C 30 H2* C 30 59.748 2.453 -8.770 39 2HO* C 30 2HO* C 30 61.837 2.861 -8.813 40 H1* C 30 H1* C 30 60.130 5.210 -8.975 41 1H4 C 30 H42 C 30 54.821 4.309 -5.571 42 2H4 C 30 H41 C 30 53.870 4.425 -7.034 43 H5 C 30 H5 C 30 54.868 4.580 -9.229 44 H6 C 30 H6 C 30 56.971 4.682 -10.459 45 1H5* C 31 1H5* C 31 62.150 1.105 -9.555 46 2H5* C 31 2H5* C 31 62.499 -0.596 -9.920 47 H4* C 31 H4* C 31 63.118 -0.314 -7.691 48 H3* C 31 H3* C 31 60.442 -1.672 -7.875 49 H2* C 31 H2* C 31 60.352 -1.741 -5.472 50 2HO* C 31 2HO* C 31 62.206 -1.152 -4.241 51 H1* C 31 H1* C 31 61.342 0.861 -5.087 52 1H4 C 31 H42 C 31 55.003 1.272 -4.822 53 2H4 C 31 H41 C 31 54.939 1.518 -6.555 54 H5 C 31 H5 C 31 56.909 1.384 -7.965 55 H6 C 31 H6 C 31 59.305 0.935 -7.999 56 1H5* C 32 1H5* C 32 62.101 -3.513 -4.672 57 2H5* C 32 2H5* C 32 62.270 -5.219 -5.127 58 H4* C 32 H4* C 32 61.213 -4.844 -2.917 59 H3* C 32 H3* C 32 59.822 -6.433 -5.040 60 H2* C 32 H2* C 32 57.904 -6.698 -3.610 61 2HO* C 32 2HO* C 32 58.903 -5.198 -1.503 62 H1* C 32 H1* C 32 57.782 -4.051 -2.777 63 1H4 C 32 H42 C 32 54.145 -4.100 -7.976 64 2H4 C 32 H41 C 32 55.562 -3.953 -8.993 65 H5 C 32 H5 C 32 57.820 -4.016 -8.120 66 H6 C 32 H6 C 32 59.172 -4.236 -6.102 67 1H5* U 33 1H5* U 33 59.658 -9.083 -0.925 68 2H5* U 33 2H5* U 33 60.264 -10.521 -1.772 69 H4* U 33 H4* U 33 58.347 -11.015 -0.338 70 H3* U 33 H3* U 33 58.120 -11.514 -3.283 71 H2* U 33 H2* U 33 55.835 -12.220 -2.999 72 2HO* U 33 2HO* U 33 55.799 -13.360 -1.126 73 H1* U 33 H1* U 33 55.084 -10.129 -1.333 74 H3 U 33 H3 U 33 53.276 -9.009 -5.331 75 H5 U 33 H5 U 33 57.321 -7.929 -5.658 76 H6 U 33 H6 U 33 57.706 -9.027 -3.550 77 1H5* CM0 34 1H5* CM0 34 56.974 -15.900 -2.649 78 2H5* CM0 34 2H5* CM0 34 58.455 -16.472 -3.441 79 H4* CM0 34 H4* CM0 34 57.442 -16.581 -5.540 80 H3* CM0 34 H3* CM0 34 55.325 -14.744 -4.483 81 H1* CM0 34 H1* CM0 34 54.491 -18.443 -5.268 82 H2* CM0 34 H2* CM0 34 53.672 -15.844 -5.844 83 H6 CM0 34 H6 CM0 34 55.243 -17.361 -2.184 84 H3 CM0 34 H3 CM0 34 50.581 -16.953 -3.118 85 1H7C CM0 34 H7 CM0 34 55.384 -18.527 0.157 86 2H7C CM0 34 H8 CM0 34 53.770 -19.302 0.166 87 HA CM0 34 2HO* CM0 34 54.686 -17.739 -7.147 88 1H5* A 35 1H5* A 35 53.765 -12.296 -7.602 89 2H5* A 35 2H5* A 35 53.444 -11.146 -6.289 90 H4* A 35 H4* A 35 51.876 -13.387 -7.235 91 H3* A 35 H3* A 35 51.195 -10.867 -6.553 92 H2* A 35 H2* A 35 51.612 -11.074 -4.177 93 2HO* A 35 2HO* A 35 49.240 -12.255 -3.694 94 H1* A 35 H1* A 35 50.352 -13.864 -4.307 95 H8 A 35 H8 A 35 53.887 -13.454 -3.194 96 1H6 A 35 H62 A 35 51.821 -13.888 2.627 97 2H6 A 35 H61 A 35 53.242 -13.871 1.606 98 H2 A 35 H2 A 35 48.274 -13.433 -0.080 99 1H5* C 36 1H5* C 36 47.533 -11.999 -4.479 100 2H5* C 36 2H5* C 36 46.423 -11.834 -5.853 101 H4* C 36 H4* C 36 45.260 -10.239 -4.853 102 H3* C 36 H3* C 36 47.881 -8.877 -4.334 103 H2* C 36 H2* C 36 46.852 -7.568 -2.595 104 2HO* C 36 2HO* C 36 44.346 -8.588 -2.617 105 H1* C 36 H1* C 36 45.445 -9.682 -1.436 106 1H4 C 36 H42 C 36 50.865 -9.704 1.841 107 2H4 C 36 H41 C 36 51.724 -10.413 0.493 108 H5 C 36 H5 C 36 50.691 -10.812 -1.662 109 H6 C 36 H6 C 36 48.630 -10.615 -2.952 110 1H5* A 37 1H5* A 37 44.944 -5.790 -3.869 111 2H5* A 37 2H5* A 37 45.811 -4.295 -4.272 112 H4* A 37 H4* A 37 45.041 -4.702 -1.846 113 H3* A 37 H3* A 37 47.679 -3.572 -2.691 114 H2* A 37 H2* A 37 48.447 -3.570 -0.411 115 2HO* A 37 2HO* A 37 45.830 -3.364 0.084 116 H1* A 37 H1* A 37 47.549 -6.118 0.222 117 H8 A 37 H8 A 37 48.585 -6.200 -3.379 118 1H6 A 37 H62 A 37 54.359 -7.197 -1.377 119 2H6 A 37 H61 A 37 53.309 -7.175 -2.776 120 H2 A 37 H2 A 37 51.832 -6.085 2.158 121 1H5* A 38 1H5* A 38 46.016 -1.045 0.722 122 2H5* A 38 2H5* A 38 46.841 0.520 0.576 123 H4* A 38 H4* A 38 47.126 -0.868 2.729 124 H3* A 38 H3* A 38 49.291 0.610 1.288 125 H2* A 38 H2* A 38 50.945 -0.282 2.793 126 2HO* A 38 2HO* A 38 50.367 -0.801 4.775 127 H1* A 38 H1* A 38 50.035 -2.900 2.733 128 H8 A 38 H8 A 38 49.423 -1.413 -0.662 129 1H6 A 38 H62 A 38 55.247 -2.997 -2.046 130 2H6 A 38 H61 A 38 53.730 -2.409 -2.687 131 H2 A 38 H2 A 38 54.654 -3.584 2.359 132 1H5* G 39 1H5* G 39 50.536 1.141 4.670 133 2H5* G 39 2H5* G 39 50.897 2.816 5.135 134 H4* G 39 H4* G 39 52.896 1.530 5.305 135 H3* G 39 H3* G 39 52.905 3.458 2.992 136 H2* G 39 H2* G 39 55.162 2.738 2.510 137 2HO* G 39 2HO* G 39 54.907 1.410 5.023 138 H1* G 39 H1* G 39 54.603 0.016 2.787 139 H8 G 39 H8 G 39 51.546 1.330 1.220 140 H1 G 39 H1 G 39 56.444 0.916 -2.903 141 1H2 G 39 H22 G 39 58.327 0.625 -1.836 142 2H2 G 39 H21 G 39 58.391 0.497 -0.087 143 1H5* G 40 1H5* G 40 56.422 3.886 4.775 144 2H5* G 40 2H5* G 40 56.755 5.554 5.281 145 H4* G 40 H4* G 40 58.673 4.833 4.151 146 H3* G 40 H3* G 40 57.026 6.633 2.384 147 H2* G 40 H2* G 40 58.725 6.389 0.691 148 2HO* G 40 2HO* G 40 60.192 4.952 2.683 149 H1* G 40 H1* G 40 58.993 3.628 1.009 150 H8 G 40 H8 G 40 55.378 4.192 1.435 151 H1 G 40 H1 G 40 57.249 4.475 -4.691 152 1H2 G 40 H22 G 40 59.429 4.688 -4.807 153 2H2 G 40 H21 G 40 60.442 4.721 -3.373 154 1H5* A 41 1H5* A 41 60.965 7.627 2.250 155 2H5* A 41 2H5* A 41 61.279 9.361 2.450 156 H4* A 41 H4* A 41 62.517 8.580 0.575 157 H3* A 41 H3* A 41 60.188 10.331 -0.178 158 H2* A 41 H2* A 41 60.845 10.093 -2.490 159 2HO* A 41 2HO* A 41 63.159 8.834 -1.379 160 H1* A 41 H1* A 41 61.264 7.337 -2.349 161 H8 A 41 H8 A 41 58.314 7.939 -0.171 162 1H6 A 41 H62 A 41 54.874 8.130 -5.298 163 2H6 A 41 H61 A 41 54.843 8.167 -3.544 164 H2 A 41 H2 A 41 59.178 8.178 -6.525 165 1H5* G 42 1H5* G 42 63.262 11.502 -2.456 166 2H5* G 42 2H5* G 42 63.613 13.229 -2.248 167 H4* G 42 H4* G 42 63.556 12.847 -4.560 168 H3* G 42 H3* G 42 61.020 14.191 -3.642 169 H2* G 42 H2* G 42 60.306 14.226 -5.946 170 2HO* G 42 2HO* G 42 62.969 13.331 -6.485 171 H1* G 42 H1* G 42 61.114 11.594 -6.485 172 H8 G 42 H8 G 42 59.731 11.449 -3.067 173 H1 G 42 H1 G 42 55.196 11.836 -7.589 174 1H2 G 42 H22 G 42 56.089 12.359 -9.524 175 2H2 G 42 H21 G 42 57.814 12.644 -9.690 176 1H5* G 43 1H5* G 43 62.215 16.045 -7.014 177 2H5* G 43 2H5* G 43 62.333 17.802 -6.799 178 H4* G 43 H4* G 43 61.096 17.418 -8.773 179 H3* G 43 H3* G 43 59.331 18.311 -6.502 180 H2* G 43 H2* G 43 57.464 18.244 -8.021 181 2HO* G 43 2HO* G 43 59.466 17.844 -10.026 182 H1* G 43 H1* G 43 58.233 15.817 -9.236 183 H8 G 43 H8 G 43 58.883 15.349 -5.626 184 H1 G 43 H1 G 43 52.662 14.904 -7.140 185 1H2 G 43 H22 G 43 52.319 15.664 -9.180 186 2H2 G 43 H21 G 43 53.632 16.268 -10.173 187 H3T G 43 H3T G 43 59.505 20.201 -7.493 Start of MODEL 2 1 1H5* C 27 1H5* C 27 44.008 13.447 -7.688 2 2H5* C 27 2H5* C 27 43.949 11.926 -8.599 3 H4* C 27 H4* C 27 45.016 13.439 -10.012 4 H3* C 27 H3* C 27 47.015 11.614 -8.709 5 H2* C 27 H2* C 27 48.771 12.762 -9.893 6 2HO* C 27 2HO* C 27 48.303 13.580 -11.796 7 H1* C 27 H1* C 27 47.813 15.328 -9.376 8 1H4 C 27 H42 C 27 51.934 14.048 -4.691 9 2H4 C 27 H41 C 27 50.612 13.448 -3.715 10 H5 C 27 H5 C 27 48.362 13.186 -4.561 11 H6 C 27 H6 C 27 46.918 13.464 -6.507 12 H5T C 27 H5T C 27 45.299 11.035 -7.234 13 1H5* C 28 1H5* C 28 48.028 11.793 -12.584 14 2H5* C 28 2H5* C 28 48.100 10.197 -13.359 15 H4* C 28 H4* C 28 50.080 11.269 -13.967 16 H3* C 28 H3* C 28 50.619 9.308 -11.745 17 H2* C 28 H2* C 28 52.947 9.922 -11.875 18 2HO* C 28 2HO* C 28 53.741 10.657 -13.710 19 H1* C 28 H1* C 28 52.466 12.668 -12.024 20 1H4 C 28 H42 C 28 53.320 11.407 -5.845 21 2H4 C 28 H41 C 28 51.583 11.206 -5.673 22 H5 C 28 H5 C 28 50.072 11.188 -7.538 23 H6 C 28 H6 C 28 49.886 11.419 -9.958 24 1H5* U 29 1H5* U 29 53.487 8.777 -14.590 25 2H5* U 29 2H5* U 29 53.641 7.078 -15.077 26 H4* U 29 H4* U 29 55.815 7.889 -14.641 27 H3* U 29 H3* U 29 54.856 6.066 -12.441 28 H2* U 29 H2* U 29 57.001 6.361 -11.385 29 2HO* U 29 2HO* U 29 58.707 6.884 -12.534 30 H1* U 29 H1* U 29 57.090 9.122 -11.776 31 H3 U 29 H3 U 29 56.353 8.151 -7.337 32 H5 U 29 H5 U 29 52.571 8.467 -9.143 33 H6 U 29 H6 U 29 53.677 8.473 -11.277 34 1H5* C 30 1H5* C 30 58.722 5.151 -13.358 35 2H5* C 30 2H5* C 30 58.925 3.414 -13.660 36 H4* C 30 H4* C 30 60.629 4.147 -12.151 37 H3* C 30 H3* C 30 58.557 2.370 -10.890 38 H2* C 30 H2* C 30 59.761 2.543 -8.808 39 2HO* C 30 2HO* C 30 61.859 2.900 -8.841 40 H1* C 30 H1* C 30 60.185 5.298 -8.976 41 1H4 C 30 H42 C 30 54.848 4.438 -5.613 42 2H4 C 30 H41 C 30 53.904 4.582 -7.079 43 H5 C 30 H5 C 30 54.917 4.739 -9.268 44 H6 C 30 H6 C 30 57.028 4.824 -10.485 45 1H5* C 31 1H5* C 31 62.177 1.120 -9.597 46 2H5* C 31 2H5* C 31 62.451 -0.594 -9.965 47 H4* C 31 H4* C 31 63.063 -0.332 -7.728 48 H3* C 31 H3* C 31 60.341 -1.597 -7.938 49 H2* C 31 H2* C 31 60.254 -1.690 -5.533 50 2HO* C 31 2HO* C 31 62.954 -0.749 -5.548 51 H1* C 31 H1* C 31 61.310 0.883 -5.133 52 1H4 C 31 H42 C 31 54.977 1.398 -4.891 53 2H4 C 31 H41 C 31 54.921 1.663 -6.623 54 H5 C 31 H5 C 31 56.897 1.511 -8.025 55 H6 C 31 H6 C 31 59.285 1.025 -8.052 56 1H5* C 32 1H5* C 32 61.543 -3.573 -4.982 57 2H5* C 32 2H5* C 32 61.674 -5.297 -5.380 58 H4* C 32 H4* C 32 60.323 -4.614 -3.315 59 H3* C 32 H3* C 32 59.417 -6.612 -5.360 60 H2* C 32 H2* C 32 57.332 -6.863 -4.179 61 2HO* C 32 2HO* C 32 57.217 -5.350 -2.187 62 H1* C 32 H1* C 32 56.899 -4.140 -3.788 63 1H4 C 32 H42 C 32 54.021 -5.372 -9.315 64 2H4 C 32 H41 C 32 55.533 -5.142 -10.165 65 H5 C 32 H5 C 32 57.640 -4.776 -9.028 66 H6 C 32 H6 C 32 58.720 -4.565 -6.849 67 1H5* U 33 1H5* U 33 59.004 -8.896 -0.959 68 2H5* U 33 2H5* U 33 59.834 -10.312 -1.631 69 H4* U 33 H4* U 33 57.812 -10.889 -0.366 70 H3* U 33 H3* U 33 58.000 -11.647 -3.259 71 H2* U 33 H2* U 33 55.783 -12.594 -3.153 72 2HO* U 33 2HO* U 33 55.924 -13.511 -1.062 73 H1* U 33 H1* U 33 54.628 -10.452 -1.824 74 H3 U 33 H3 U 33 53.308 -10.000 -6.149 75 H5 U 33 H5 U 33 57.153 -8.318 -6.005 76 H6 U 33 H6 U 33 57.358 -9.171 -3.764 77 1H5* CM0 34 1H5* CM0 34 57.533 -16.321 -2.709 78 2H5* CM0 34 2H5* CM0 34 59.091 -16.433 -3.552 79 H4* CM0 34 H4* CM0 34 58.077 -16.353 -5.670 80 H3* CM0 34 H3* CM0 34 55.643 -15.291 -4.312 81 H1* CM0 34 H1* CM0 34 55.601 -18.943 -5.631 82 H2* CM0 34 H2* CM0 34 54.196 -16.558 -5.751 83 H6 CM0 34 H6 CM0 34 56.459 -18.357 -2.503 84 H3 CM0 34 H3 CM0 34 51.711 -18.512 -2.953 85 1H7C CM0 34 H7 CM0 34 56.541 -20.555 -0.171 86 2H7C CM0 34 H8 CM0 34 54.819 -20.981 -0.420 87 HA CM0 34 2HO* CM0 34 56.602 -16.985 -7.219 88 1H5* A 35 1H5* A 35 52.935 -15.247 -7.161 89 2H5* A 35 2H5* A 35 52.641 -13.497 -7.194 90 H4* A 35 H4* A 35 50.805 -15.057 -6.294 91 H3* A 35 H3* A 35 51.658 -12.504 -4.944 92 H2* A 35 H2* A 35 50.057 -12.932 -3.218 93 2HO* A 35 2HO* A 35 49.044 -15.185 -4.591 94 H1* A 35 H1* A 35 50.453 -15.757 -3.172 95 H8 A 35 H8 A 35 53.864 -14.787 -2.963 96 1H6 A 35 H62 A 35 53.007 -12.823 2.845 97 2H6 A 35 H61 A 35 54.197 -13.260 1.638 98 H2 A 35 H2 A 35 48.980 -13.346 0.945 99 1H5* C 36 1H5* C 36 46.999 -12.129 -5.142 100 2H5* C 36 2H5* C 36 47.068 -10.753 -6.261 101 H4* C 36 H4* C 36 45.444 -10.241 -4.633 102 H3* C 36 H3* C 36 47.979 -8.676 -4.333 103 H2* C 36 H2* C 36 47.117 -7.620 -2.350 104 2HO* C 36 2HO* C 36 45.012 -7.232 -2.560 105 H1* C 36 H1* C 36 46.105 -9.936 -1.190 106 1H4 C 36 H42 C 36 52.043 -9.578 1.036 107 2H4 C 36 H41 C 36 52.631 -10.431 -0.374 108 H5 C 36 H5 C 36 51.211 -11.004 -2.252 109 H6 C 36 H6 C 36 48.948 -10.872 -3.153 110 1H5* A 37 1H5* A 37 45.156 -5.326 -3.982 111 2H5* A 37 2H5* A 37 46.169 -3.950 -4.459 112 H4* A 37 H4* A 37 45.386 -4.176 -2.007 113 H3* A 37 H3* A 37 48.105 -3.334 -2.929 114 H2* A 37 H2* A 37 48.901 -3.301 -0.659 115 2HO* A 37 2HO* A 37 46.159 -3.193 -0.158 116 H1* A 37 H1* A 37 47.769 -5.719 0.102 117 H8 A 37 H8 A 37 48.718 -6.237 -3.451 118 1H6 A 37 H62 A 37 54.485 -7.358 -1.493 119 2H6 A 37 H61 A 37 53.391 -7.436 -2.856 120 H2 A 37 H2 A 37 52.153 -5.666 1.942 121 1H5* A 38 1H5* A 38 46.464 -1.357 0.259 122 2H5* A 38 2H5* A 38 46.738 0.387 0.442 123 H4* A 38 H4* A 38 47.246 -0.883 2.478 124 H3* A 38 H3* A 38 49.397 0.737 1.172 125 H2* A 38 H2* A 38 50.993 -0.023 2.804 126 2HO* A 38 2HO* A 38 50.369 -0.851 4.714 127 H1* A 38 H1* A 38 50.238 -2.701 2.747 128 H8 A 38 H8 A 38 49.924 -1.198 -0.708 129 1H6 A 38 H62 A 38 55.877 -2.710 -1.500 130 2H6 A 38 H61 A 38 54.428 -2.124 -2.287 131 H2 A 38 H2 A 38 54.834 -3.373 2.810 132 1H5* G 39 1H5* G 39 50.472 1.319 4.647 133 2H5* G 39 2H5* G 39 50.854 3.011 5.024 134 H4* G 39 H4* G 39 52.827 1.646 5.231 135 H3* G 39 H3* G 39 52.885 3.600 2.939 136 H2* G 39 H2* G 39 55.135 2.847 2.473 137 2HO* G 39 2HO* G 39 54.841 1.404 4.924 138 H1* G 39 H1* G 39 54.527 0.133 2.721 139 H8 G 39 H8 G 39 51.515 1.517 1.130 140 H1 G 39 H1 G 39 56.444 1.030 -2.945 141 1H2 G 39 H22 G 39 58.311 0.700 -1.861 142 2H2 G 39 H21 G 39 58.354 0.564 -0.112 143 1H5* G 40 1H5* G 40 56.399 3.933 4.730 144 2H5* G 40 2H5* G 40 56.757 5.587 5.267 145 H4* G 40 H4* G 40 58.669 4.866 4.136 146 H3* G 40 H3* G 40 57.048 6.701 2.384 147 H2* G 40 H2* G 40 58.746 6.455 0.689 148 2HO* G 40 2HO* G 40 60.197 4.996 2.675 149 H1* G 40 H1* G 40 58.992 3.689 0.985 150 H8 G 40 H8 G 40 55.379 4.298 1.399 151 H1 G 40 H1 G 40 57.277 4.564 -4.719 152 1H2 G 40 H22 G 40 59.460 4.739 -4.823 153 2H2 G 40 H21 G 40 60.470 4.751 -3.388 154 1H5* A 41 1H5* A 41 60.988 7.677 2.268 155 2H5* A 41 2H5* A 41 61.312 9.404 2.506 156 H4* A 41 H4* A 41 62.547 8.674 0.615 157 H3* A 41 H3* A 41 60.203 10.413 -0.116 158 H2* A 41 H2* A 41 60.860 10.210 -2.431 159 2HO* A 41 2HO* A 41 63.190 8.966 -1.337 160 H1* A 41 H1* A 41 61.311 7.456 -2.324 161 H8 A 41 H8 A 41 58.350 8.018 -0.146 162 1H6 A 41 H62 A 41 54.924 8.209 -5.278 163 2H6 A 41 H61 A 41 54.891 8.247 -3.521 164 H2 A 41 H2 A 41 59.230 8.306 -6.496 165 1H5* G 42 1H5* G 42 63.239 11.656 -2.376 166 2H5* G 42 2H5* G 42 63.573 13.384 -2.147 167 H4* G 42 H4* G 42 63.497 13.044 -4.463 168 H3* G 42 H3* G 42 60.935 14.314 -3.509 169 H2* G 42 H2* G 42 60.220 14.381 -5.812 170 2HO* G 42 2HO* G 42 62.911 13.583 -6.350 171 H1* G 42 H1* G 42 61.087 11.775 -6.397 172 H8 G 42 H8 G 42 59.695 11.538 -2.990 173 H1 G 42 H1 G 42 55.166 11.938 -7.519 174 1H2 G 42 H22 G 42 56.052 12.510 -9.434 175 2H2 G 42 H21 G 42 57.773 12.820 -9.599 176 1H5* G 43 1H5* G 43 62.076 16.269 -6.827 177 2H5* G 43 2H5* G 43 62.164 18.024 -6.577 178 H4* G 43 H4* G 43 60.929 17.665 -8.553 179 H3* G 43 H3* G 43 59.147 18.458 -6.259 180 H2* G 43 H2* G 43 57.279 18.386 -7.778 181 2HO* G 43 2HO* G 43 59.315 18.157 -9.772 182 H1* G 43 H1* G 43 58.109 16.013 -9.061 183 H8 G 43 H8 G 43 58.761 15.456 -5.466 184 H1 G 43 H1 G 43 52.553 14.926 -7.008 185 1H2 G 43 H22 G 43 52.200 15.730 -9.030 186 2H2 G 43 H21 G 43 53.505 16.383 -10.001 187 H3T G 43 H3T G 43 59.340 20.071 -8.376 Start of MODEL 3 1 1H5* C 27 1H5* C 27 43.920 13.579 -7.555 2 2H5* C 27 2H5* C 27 43.796 12.042 -8.433 3 H4* C 27 H4* C 27 44.859 13.496 -9.908 4 H3* C 27 H3* C 27 46.853 11.655 -8.621 5 H2* C 27 H2* C 27 48.600 12.735 -9.880 6 2HO* C 27 2HO* C 27 48.093 13.522 -11.787 7 H1* C 27 H1* C 27 47.712 15.334 -9.398 8 1H4 C 27 H42 C 27 51.934 14.094 -4.795 9 2H4 C 27 H41 C 27 50.629 13.537 -3.770 10 H5 C 27 H5 C 27 48.354 13.292 -4.549 11 H6 C 27 H6 C 27 46.862 13.551 -6.463 12 H5T C 27 H5T C 27 45.046 12.584 -6.110 13 1H5* C 28 1H5* C 28 47.761 11.720 -12.522 14 2H5* C 28 2H5* C 28 47.785 10.108 -13.263 15 H4* C 28 H4* C 28 49.772 11.123 -13.939 16 H3* C 28 H3* C 28 50.330 9.209 -11.682 17 H2* C 28 H2* C 28 52.665 9.776 -11.898 18 2HO* C 28 2HO* C 28 53.381 10.357 -13.810 19 H1* C 28 H1* C 28 52.227 12.524 -12.095 20 1H4 C 28 H42 C 28 53.246 11.403 -5.917 21 2H4 C 28 H41 C 28 51.512 11.232 -5.686 22 H5 C 28 H5 C 28 49.945 11.196 -7.504 23 H6 C 28 H6 C 28 49.688 11.370 -9.923 24 1H5* U 29 1H5* U 29 53.091 8.559 -14.607 25 2H5* U 29 2H5* U 29 53.226 6.846 -15.045 26 H4* U 29 H4* U 29 55.414 7.679 -14.711 27 H3* U 29 H3* U 29 54.544 5.889 -12.449 28 H2* U 29 H2* U 29 56.715 6.222 -11.464 29 2HO* U 29 2HO* U 29 58.385 6.739 -12.670 30 H1* U 29 H1* U 29 56.776 8.975 -11.910 31 H3 U 29 H3 U 29 56.180 8.072 -7.437 32 H5 U 29 H5 U 29 52.344 8.372 -9.132 33 H6 U 29 H6 U 29 53.385 8.330 -11.297 34 1H5* C 30 1H5* C 30 58.404 4.998 -13.455 35 2H5* C 30 2H5* C 30 58.612 3.256 -13.724 36 H4* C 30 H4* C 30 60.351 4.044 -12.278 37 H3* C 30 H3* C 30 58.342 2.258 -10.934 38 H2* C 30 H2* C 30 59.594 2.484 -8.886 39 2HO* C 30 2HO* C 30 61.681 2.892 -8.968 40 H1* C 30 H1* C 30 59.968 5.241 -9.106 41 1H4 C 30 H42 C 30 54.718 4.339 -5.612 42 2H4 C 30 H41 C 30 53.742 4.448 -7.059 43 H5 C 30 H5 C 30 54.702 4.598 -9.271 44 H6 C 30 H6 C 30 56.785 4.699 -10.535 45 1H5* C 31 1H5* C 31 61.984 1.137 -9.707 46 2H5* C 31 2H5* C 31 62.329 -0.565 -10.075 47 H4* C 31 H4* C 31 62.986 -0.287 -7.860 48 H3* C 31 H3* C 31 60.293 -1.623 -7.982 49 H2* C 31 H2* C 31 60.272 -1.695 -5.574 50 2HO* C 31 2HO* C 31 62.103 -1.448 -4.395 51 H1* C 31 H1* C 31 61.260 0.909 -5.224 52 1H4 C 31 H42 C 31 54.926 1.308 -4.858 53 2H4 C 31 H41 C 31 54.832 1.547 -6.591 54 H5 C 31 H5 C 31 56.779 1.410 -8.033 55 H6 C 31 H6 C 31 59.176 0.966 -8.105 56 1H5* C 32 1H5* C 32 62.336 -3.239 -5.009 57 2H5* C 32 2H5* C 32 62.775 -4.909 -5.422 58 H4* C 32 H4* C 32 62.158 -4.802 -3.114 59 H3* C 32 H3* C 32 60.235 -6.293 -4.874 60 H2* C 32 H2* C 32 58.846 -6.722 -2.956 61 2HO* C 32 2HO* C 32 61.069 -6.759 -1.662 62 H1* C 32 H1* C 32 59.033 -4.137 -1.893 63 1H4 C 32 H42 C 32 53.750 -3.803 -5.370 64 2H4 C 32 H41 C 32 54.677 -3.791 -6.853 65 H5 C 32 H5 C 32 57.086 -4.044 -6.902 66 H6 C 32 H6 C 32 59.086 -4.355 -5.539 67 1H5* U 33 1H5* U 33 60.509 -9.029 -1.354 68 2H5* U 33 2H5* U 33 61.341 -10.357 -2.187 69 H4* U 33 H4* U 33 59.628 -11.361 -0.958 70 H3* U 33 H3* U 33 58.971 -11.197 -3.875 71 H2* U 33 H2* U 33 56.802 -12.153 -3.458 72 2HO* U 33 2HO* U 33 56.999 -13.669 -1.925 73 H1* U 33 H1* U 33 56.201 -10.578 -1.251 74 H3 U 33 H3 U 33 53.713 -8.589 -4.436 75 H5 U 33 H5 U 33 57.640 -7.404 -5.333 76 H6 U 33 H6 U 33 58.405 -8.913 -3.620 77 1H5* CM0 34 1H5* CM0 34 57.659 -15.135 -3.241 78 2H5* CM0 34 2H5* CM0 34 58.934 -16.094 -4.020 79 H4* CM0 34 H4* CM0 34 57.571 -16.256 -6.044 80 H3* CM0 34 H3* CM0 34 55.682 -14.455 -4.606 81 H1* CM0 34 H1* CM0 34 54.855 -18.242 -4.686 82 H2* CM0 34 H2* CM0 34 53.781 -15.766 -5.273 83 H6 CM0 34 H6 CM0 34 56.618 -16.926 -2.201 84 H3 CM0 34 H3 CM0 34 51.935 -16.341 -1.483 85 1H7C CM0 34 H7 CM0 34 57.151 -18.196 0.026 86 2H7C CM0 34 H8 CM0 34 55.898 -18.264 1.304 87 HA CM0 34 2HO* CM0 34 54.182 -17.614 -6.708 88 1H5* A 35 1H5* A 35 53.155 -12.490 -7.549 89 2H5* A 35 2H5* A 35 53.056 -11.203 -6.331 90 H4* A 35 H4* A 35 51.451 -13.577 -6.655 91 H3* A 35 H3* A 35 50.774 -11.063 -6.065 92 H2* A 35 H2* A 35 51.874 -10.923 -3.912 93 2HO* A 35 2HO* A 35 49.887 -12.059 -2.555 94 H1* A 35 H1* A 35 50.839 -13.723 -3.255 95 H8 A 35 H8 A 35 54.499 -12.787 -3.504 96 1H6 A 35 H62 A 35 54.560 -12.919 2.688 97 2H6 A 35 H61 A 35 55.543 -12.797 1.246 98 H2 A 35 H2 A 35 50.303 -13.281 1.328 99 1H5* C 36 1H5* C 36 48.048 -12.272 -2.885 100 2H5* C 36 2H5* C 36 46.577 -12.425 -3.865 101 H4* C 36 H4* C 36 45.488 -11.017 -2.563 102 H3* C 36 H3* C 36 47.703 -9.084 -3.163 103 H2* C 36 H2* C 36 47.015 -7.736 -1.290 104 2HO* C 36 2HO* C 36 44.983 -9.274 -0.341 105 H1* C 36 H1* C 36 46.661 -9.865 0.479 106 1H4 C 36 H42 C 36 52.677 -8.193 1.545 107 2H4 C 36 H41 C 36 53.191 -8.940 0.048 108 H5 C 36 H5 C 36 51.639 -9.919 -1.534 109 H6 C 36 H6 C 36 49.288 -10.374 -1.999 110 1H5* A 37 1H5* A 37 44.517 -5.943 -3.001 111 2H5* A 37 2H5* A 37 45.450 -4.644 -3.771 112 H4* A 37 H4* A 37 44.948 -4.620 -1.202 113 H3* A 37 H3* A 37 47.423 -3.689 -2.601 114 H2* A 37 H2* A 37 48.530 -3.334 -0.493 115 2HO* A 37 2HO* A 37 45.992 -3.067 0.358 116 H1* A 37 H1* A 37 47.786 -5.740 0.658 117 H8 A 37 H8 A 37 48.167 -6.482 -2.980 118 1H6 A 37 H62 A 37 54.242 -7.087 -1.942 119 2H6 A 37 H61 A 37 52.951 -7.331 -3.098 120 H2 A 37 H2 A 37 52.372 -5.308 1.726 121 1H5* A 38 1H5* A 38 45.964 -0.644 0.607 122 2H5* A 38 2H5* A 38 46.960 0.809 0.389 123 H4* A 38 H4* A 38 47.053 -0.622 2.596 124 H3* A 38 H3* A 38 49.292 0.848 1.256 125 H2* A 38 H2* A 38 50.861 -0.076 2.831 126 2HO* A 38 2HO* A 38 49.038 0.062 4.534 127 H1* A 38 H1* A 38 49.893 -2.681 2.723 128 H8 A 38 H8 A 38 49.547 -1.192 -0.706 129 1H6 A 38 H62 A 38 55.422 -2.883 -1.684 130 2H6 A 38 H61 A 38 53.963 -2.269 -2.428 131 H2 A 38 H2 A 38 54.516 -3.450 2.672 132 1H5* G 39 1H5* G 39 50.579 1.275 4.709 133 2H5* G 39 2H5* G 39 50.957 2.965 5.102 134 H4* G 39 H4* G 39 52.945 1.636 5.279 135 H3* G 39 H3* G 39 52.945 3.556 2.960 136 H2* G 39 H2* G 39 55.194 2.816 2.462 137 2HO* G 39 2HO* G 39 54.946 1.512 4.986 138 H1* G 39 H1* G 39 54.614 0.101 2.753 139 H8 G 39 H8 G 39 51.554 1.426 1.208 140 H1 G 39 H1 G 39 56.409 0.971 -2.959 141 1H2 G 39 H22 G 39 58.301 0.684 -1.912 142 2H2 G 39 H21 G 39 58.383 0.563 -0.162 143 1H5* G 40 1H5* G 40 56.479 3.973 4.695 144 2H5* G 40 2H5* G 40 56.825 5.638 5.199 145 H4* G 40 H4* G 40 58.727 4.922 4.047 146 H3* G 40 H3* G 40 57.058 6.714 2.296 147 H2* G 40 H2* G 40 58.728 6.463 0.578 148 2HO* G 40 2HO* G 40 60.225 5.034 2.553 149 H1* G 40 H1* G 40 59.002 3.703 0.901 150 H8 G 40 H8 G 40 55.393 4.271 1.386 151 H1 G 40 H1 G 40 57.160 4.515 -4.773 152 1H2 G 40 H22 G 40 59.338 4.733 -4.926 153 2H2 G 40 H21 G 40 60.374 4.773 -3.509 154 1H5* A 41 1H5* A 41 60.995 7.708 2.095 155 2H5* A 41 2H5* A 41 61.310 9.442 2.288 156 H4* A 41 H4* A 41 62.518 8.659 0.394 157 H3* A 41 H3* A 41 60.177 10.407 -0.326 158 H2* A 41 H2* A 41 60.791 10.162 -2.647 159 2HO* A 41 2HO* A 41 63.113 8.850 -1.608 160 H1* A 41 H1* A 41 61.224 7.406 -2.504 161 H8 A 41 H8 A 41 58.307 8.010 -0.282 162 1H6 A 41 H62 A 41 54.788 8.155 -5.358 163 2H6 A 41 H61 A 41 54.782 8.203 -3.602 164 H2 A 41 H2 A 41 59.070 8.221 -6.651 165 1H5* G 42 1H5* G 42 63.204 11.565 -2.669 166 2H5* G 42 2H5* G 42 63.558 13.293 -2.476 167 H4* G 42 H4* G 42 63.453 12.900 -4.785 168 H3* G 42 H3* G 42 60.934 14.245 -3.823 169 H2* G 42 H2* G 42 60.176 14.270 -6.112 170 2HO* G 42 2HO* G 42 62.841 13.408 -6.681 171 H1* G 42 H1* G 42 60.978 11.636 -6.655 172 H8 G 42 H8 G 42 59.656 11.505 -3.213 173 H1 G 42 H1 G 42 55.042 11.857 -7.657 174 1H2 G 42 H22 G 42 55.898 12.376 -9.607 175 2H2 G 42 H21 G 42 57.619 12.665 -9.807 176 1H5* G 43 1H5* G 43 62.054 16.091 -7.229 177 2H5* G 43 2H5* G 43 62.170 17.849 -7.018 178 H4* G 43 H4* G 43 60.893 17.457 -8.965 179 H3* G 43 H3* G 43 59.173 18.347 -6.660 180 H2* G 43 H2* G 43 57.275 18.272 -8.141 181 2HO* G 43 2HO* G 43 59.219 17.837 -10.196 182 H1* G 43 H1* G 43 58.029 15.846 -9.367 183 H8 G 43 H8 G 43 58.754 15.387 -5.772 184 H1 G 43 H1 G 43 52.506 14.905 -7.155 185 1H2 G 43 H22 G 43 52.117 15.662 -9.188 186 2H2 G 43 H21 G 43 53.405 16.271 -10.208 187 H3T G 43 H3T G 43 60.201 20.014 -7.283 Start of MODEL 4 1 1H5* C 27 1H5* C 27 43.959 13.167 -7.578 2 2H5* C 27 2H5* C 27 44.114 11.577 -8.348 3 H4* C 27 H4* C 27 45.133 13.227 -9.740 4 H3* C 27 H3* C 27 47.082 11.341 -8.441 5 H2* C 27 H2* C 27 48.862 12.482 -9.595 6 2HO* C 27 2HO* C 27 48.415 13.336 -11.488 7 H1* C 27 H1* C 27 47.925 15.052 -9.043 8 1H4 C 27 H42 C 27 52.036 13.669 -4.376 9 2H4 C 27 H41 C 27 50.709 13.059 -3.412 10 H5 C 27 H5 C 27 48.458 12.828 -4.262 11 H6 C 27 H6 C 27 47.015 13.153 -6.203 12 H5T C 27 H5T C 27 46.202 11.633 -6.930 13 1H5* C 28 1H5* C 28 48.126 11.578 -12.323 14 2H5* C 28 2H5* C 28 48.186 9.991 -13.116 15 H4* C 28 H4* C 28 50.175 11.058 -13.707 16 H3* C 28 H3* C 28 50.694 9.056 -11.516 17 H2* C 28 H2* C 28 53.027 9.653 -11.634 18 2HO* C 28 2HO* C 28 53.833 10.420 -13.448 19 H1* C 28 H1* C 28 52.570 12.405 -11.740 20 1H4 C 28 H42 C 28 53.407 11.040 -5.579 21 2H4 C 28 H41 C 28 51.667 10.848 -5.415 22 H5 C 28 H5 C 28 50.161 10.870 -7.280 23 H6 C 28 H6 C 28 49.979 11.144 -9.697 24 1H5* U 29 1H5* U 29 53.564 8.557 -14.369 25 2H5* U 29 2H5* U 29 53.710 6.865 -14.880 26 H4* U 29 H4* U 29 55.887 7.663 -14.432 27 H3* U 29 H3* U 29 54.923 5.802 -12.267 28 H2* U 29 H2* U 29 57.068 6.072 -11.203 29 2HO* U 29 2HO* U 29 58.776 6.611 -12.341 30 H1* U 29 H1* U 29 57.167 8.839 -11.544 31 H3 U 29 H3 U 29 56.420 7.790 -7.125 32 H5 U 29 H5 U 29 52.640 8.155 -8.930 33 H6 U 29 H6 U 29 53.749 8.194 -11.061 34 1H5* C 30 1H5* C 30 58.790 4.893 -13.192 35 2H5* C 30 2H5* C 30 58.987 3.162 -13.525 36 H4* C 30 H4* C 30 60.690 3.860 -12.003 37 H3* C 30 H3* C 30 58.610 2.070 -10.776 38 H2* C 30 H2* C 30 59.813 2.200 -8.690 39 2HO* C 30 2HO* C 30 61.909 2.559 -8.706 40 H1* C 30 H1* C 30 60.246 4.955 -8.807 41 1H4 C 30 H42 C 30 54.899 4.062 -5.472 42 2H4 C 30 H41 C 30 53.958 4.234 -6.938 43 H5 C 30 H5 C 30 54.976 4.424 -9.121 44 H6 C 30 H6 C 30 57.090 4.520 -10.332 45 1H5* C 31 1H5* C 31 62.196 0.819 -9.492 46 2H5* C 31 2H5* C 31 62.507 -0.879 -9.904 47 H4* C 31 H4* C 31 63.104 -0.688 -7.663 48 H3* C 31 H3* C 31 60.381 -1.944 -7.904 49 H2* C 31 H2* C 31 60.290 -2.093 -5.503 50 2HO* C 31 2HO* C 31 62.092 -1.965 -4.272 51 H1* C 31 H1* C 31 61.345 0.468 -5.041 52 1H4 C 31 H42 C 31 55.016 1.010 -4.805 53 2H4 C 31 H41 C 31 54.964 1.301 -6.532 54 H5 C 31 H5 C 31 56.943 1.166 -7.933 55 H6 C 31 H6 C 31 59.330 0.669 -7.966 56 1H5* C 32 1H5* C 32 62.562 -4.749 -5.427 57 2H5* C 32 2H5* C 32 61.851 -6.354 -5.681 58 H4* C 32 H4* C 32 61.720 -5.181 -3.353 59 H3* C 32 H3* C 32 59.596 -6.845 -4.658 60 H2* C 32 H2* C 32 58.085 -6.346 -2.852 61 2HO* C 32 2HO* C 32 60.260 -4.977 -1.600 62 H1* C 32 H1* C 32 58.648 -3.622 -2.738 63 1H4 C 32 H42 C 32 53.793 -3.964 -6.812 64 2H4 C 32 H41 C 32 54.892 -4.341 -8.118 65 H5 C 32 H5 C 32 57.261 -4.715 -7.778 66 H6 C 32 H6 C 32 59.048 -4.800 -6.119 67 1H5* U 33 1H5* U 33 59.140 -8.804 -0.474 68 2H5* U 33 2H5* U 33 59.715 -10.369 -1.077 69 H4* U 33 H4* U 33 57.610 -10.556 0.148 70 H3* U 33 H3* U 33 57.707 -11.390 -2.724 71 H2* U 33 H2* U 33 55.350 -11.869 -2.698 72 2HO* U 33 2HO* U 33 55.630 -12.630 -0.349 73 H1* U 33 H1* U 33 54.578 -9.553 -1.374 74 H3 U 33 H3 U 33 53.505 -9.079 -5.799 75 H5 U 33 H5 U 33 57.449 -7.689 -5.412 76 H6 U 33 H6 U 33 57.461 -8.574 -3.174 77 1H5* CM0 34 1H5* CM0 34 55.649 -15.077 -1.975 78 2H5* CM0 34 2H5* CM0 34 57.097 -16.099 -1.906 79 H4* CM0 34 H4* CM0 34 56.891 -16.658 -4.227 80 H3* CM0 34 H3* CM0 34 54.744 -14.568 -4.350 81 H1* CM0 34 H1* CM0 34 53.842 -18.327 -4.465 82 H2* CM0 34 H2* CM0 34 53.489 -15.947 -5.874 83 H6 CM0 34 H6 CM0 34 53.674 -16.691 -1.615 84 H3 CM0 34 H3 CM0 34 49.656 -16.128 -4.125 85 1H7C CM0 34 H7 CM0 34 50.495 -17.757 0.622 86 2H7C CM0 34 H8 CM0 34 51.889 -17.228 1.611 87 HA CM0 34 2HO* CM0 34 54.441 -17.916 -6.655 88 1H5* A 35 1H5* A 35 53.836 -11.629 -6.591 89 2H5* A 35 2H5* A 35 53.566 -12.382 -5.007 90 H4* A 35 H4* A 35 51.835 -13.042 -7.363 91 H3* A 35 H3* A 35 51.846 -10.453 -6.731 92 H2* A 35 H2* A 35 51.538 -10.693 -4.343 93 2HO* A 35 2HO* A 35 48.850 -10.961 -4.625 94 H1* A 35 H1* A 35 49.420 -12.832 -4.862 95 H8 A 35 H8 A 35 52.723 -13.228 -2.991 96 1H6 A 35 H62 A 35 49.270 -13.564 2.139 97 2H6 A 35 H61 A 35 50.885 -13.721 1.483 98 H2 A 35 H2 A 35 46.579 -12.485 -1.283 99 1H5* C 36 1H5* C 36 47.520 -10.883 -5.934 100 2H5* C 36 2H5* C 36 46.850 -10.294 -7.469 101 H4* C 36 H4* C 36 45.509 -8.945 -6.359 102 H3* C 36 H3* C 36 48.057 -7.656 -5.416 103 H2* C 36 H2* C 36 46.790 -6.439 -3.775 104 2HO* C 36 2HO* C 36 44.454 -6.586 -3.832 105 H1* C 36 H1* C 36 45.128 -8.598 -3.051 106 1H4 C 36 H42 C 36 49.629 -8.818 1.392 107 2H4 C 36 H41 C 36 50.825 -9.336 0.225 108 H5 C 36 H5 C 36 50.350 -9.540 -2.142 109 H6 C 36 H6 C 36 48.638 -9.288 -3.862 110 1H5* A 37 1H5* A 37 45.250 -4.386 -5.346 111 2H5* A 37 2H5* A 37 46.299 -2.955 -5.418 112 H4* A 37 H4* A 37 45.022 -3.580 -3.227 113 H3* A 37 H3* A 37 47.759 -2.414 -3.482 114 H2* A 37 H2* A 37 48.152 -2.685 -1.122 115 2HO* A 37 2HO* A 37 45.645 -2.284 -0.869 116 H1* A 37 H1* A 37 47.225 -5.279 -0.941 117 H8 A 37 H8 A 37 48.700 -4.884 -4.375 118 1H6 A 37 H62 A 37 54.179 -6.237 -1.828 119 2H6 A 37 H61 A 37 53.314 -6.000 -3.329 120 H2 A 37 H2 A 37 51.223 -5.601 1.485 121 1H5* A 38 1H5* A 38 45.843 -0.053 -0.036 122 2H5* A 38 2H5* A 38 46.958 1.320 0.116 123 H4* A 38 H4* A 38 46.759 -0.479 2.006 124 H3* A 38 H3* A 38 49.261 0.896 1.081 125 H2* A 38 H2* A 38 50.546 -0.453 2.613 126 2HO* A 38 2HO* A 38 48.028 -1.467 3.521 127 H1* A 38 H1* A 38 49.312 -2.858 1.959 128 H8 A 38 H8 A 38 49.518 -0.734 -1.143 129 1H6 A 38 H62 A 38 55.201 -3.057 -1.949 130 2H6 A 38 H61 A 38 53.922 -2.110 -2.674 131 H2 A 38 H2 A 38 53.761 -4.277 2.119 132 1H5* G 39 1H5* G 39 50.459 0.789 4.593 133 2H5* G 39 2H5* G 39 50.860 2.419 5.172 134 H4* G 39 H4* G 39 52.821 1.093 5.307 135 H3* G 39 H3* G 39 52.927 3.097 3.064 136 H2* G 39 H2* G 39 55.165 2.325 2.587 137 2HO* G 39 2HO* G 39 54.843 0.843 5.011 138 H1* G 39 H1* G 39 54.525 -0.388 2.770 139 H8 G 39 H8 G 39 51.537 1.075 1.202 140 H1 G 39 H1 G 39 56.473 0.605 -2.867 141 1H2 G 39 H22 G 39 58.333 0.232 -1.786 142 2H2 G 39 H21 G 39 58.367 0.064 -0.038 143 1H5* G 40 1H5* G 40 56.421 3.350 4.858 144 2H5* G 40 2H5* G 40 56.803 4.980 5.446 145 H4* G 40 H4* G 40 58.703 4.284 4.288 146 H3* G 40 H3* G 40 57.091 6.162 2.574 147 H2* G 40 H2* G 40 58.788 5.941 0.875 148 2HO* G 40 2HO* G 40 60.229 4.437 2.834 149 H1* G 40 H1* G 40 59.020 3.167 1.119 150 H8 G 40 H8 G 40 55.409 3.791 1.536 151 H1 G 40 H1 G 40 57.326 4.157 -4.571 152 1H2 G 40 H22 G 40 59.512 4.324 -4.667 153 2H2 G 40 H21 G 40 60.516 4.304 -3.227 154 1H5* A 41 1H5* A 41 61.036 7.121 2.479 155 2H5* A 41 2H5* A 41 61.367 8.842 2.749 156 H4* A 41 H4* A 41 62.601 8.140 0.848 157 H3* A 41 H3* A 41 60.267 9.905 0.146 158 H2* A 41 H2* A 41 60.924 9.743 -2.171 159 2HO* A 41 2HO* A 41 63.245 8.455 -1.105 160 H1* A 41 H1* A 41 61.364 6.984 -2.115 161 H8 A 41 H8 A 41 58.402 7.520 0.069 162 1H6 A 41 H62 A 41 54.985 7.819 -5.066 163 2H6 A 41 H61 A 41 54.951 7.825 -3.310 164 H2 A 41 H2 A 41 59.297 7.918 -6.274 165 1H5* G 42 1H5* G 42 63.315 11.172 -2.084 166 2H5* G 42 2H5* G 42 63.660 12.894 -1.827 167 H4* G 42 H4* G 42 63.587 12.591 -4.149 168 H3* G 42 H3* G 42 61.032 13.864 -3.180 169 H2* G 42 H2* G 42 60.324 13.972 -5.484 170 2HO* G 42 2HO* G 42 63.014 13.169 -6.024 171 H1* G 42 H1* G 42 61.171 11.370 -6.108 172 H8 G 42 H8 G 42 59.771 11.089 -2.707 173 H1 G 42 H1 G 42 55.256 11.586 -7.239 174 1H2 G 42 H22 G 42 56.150 12.185 -9.144 175 2H2 G 42 H21 G 42 57.874 12.487 -9.300 176 1H5* G 43 1H5* G 43 62.193 15.864 -6.471 177 2H5* G 43 2H5* G 43 62.290 17.612 -6.186 178 H4* G 43 H4* G 43 61.057 17.294 -8.174 179 H3* G 43 H3* G 43 59.274 18.058 -5.869 180 H2* G 43 H2* G 43 57.411 18.025 -7.396 181 2HO* G 43 2HO* G 43 59.455 17.822 -9.382 182 H1* G 43 H1* G 43 58.227 15.667 -8.713 183 H8 G 43 H8 G 43 58.871 15.052 -5.126 184 H1 G 43 H1 G 43 52.663 14.582 -6.686 185 1H2 G 43 H22 G 43 52.316 15.418 -8.694 186 2H2 G 43 H21 G 43 53.626 16.080 -9.654 187 H3T G 43 H3T G 43 59.250 19.968 -7.144 Start of MODEL 5 1 1H5* C 27 1H5* C 27 44.224 13.678 -7.519 2 2H5* C 27 2H5* C 27 44.106 12.151 -8.413 3 H4* C 27 H4* C 27 45.229 13.594 -9.849 4 H3* C 27 H3* C 27 47.171 11.739 -8.501 5 H2* C 27 H2* C 27 48.962 12.810 -9.706 6 2HO* C 27 2HO* C 27 48.521 13.603 -11.625 7 H1* C 27 H1* C 27 48.078 15.413 -9.243 8 1H4 C 27 H42 C 27 52.155 14.114 -4.526 9 2H4 C 27 H41 C 27 50.816 13.570 -3.539 10 H5 C 27 H5 C 27 48.559 13.358 -4.382 11 H6 C 27 H6 C 27 47.125 13.634 -6.338 12 H5T C 27 H5T C 27 45.394 12.716 -6.075 13 1H5* C 28 1H5* C 28 48.197 11.812 -12.380 14 2H5* C 28 2H5* C 28 48.222 10.200 -13.122 15 H4* C 28 H4* C 28 50.232 11.201 -13.753 16 H3* C 28 H3* C 28 50.714 9.270 -11.492 17 H2* C 28 H2* C 28 53.058 9.814 -11.632 18 2HO* C 28 2HO* C 28 53.875 10.492 -13.478 19 H1* C 28 H1* C 28 52.659 12.567 -11.832 20 1H4 C 28 H42 C 28 53.460 11.403 -5.626 21 2H4 C 28 H41 C 28 51.718 11.258 -5.457 22 H5 C 28 H5 C 28 50.211 11.249 -7.325 23 H6 C 28 H6 C 28 50.039 11.438 -9.752 24 1H5* U 29 1H5* U 29 53.564 8.603 -14.326 25 2H5* U 29 2H5* U 29 53.675 6.891 -14.778 26 H4* U 29 H4* U 29 55.868 7.658 -14.357 27 H3* U 29 H3* U 29 54.866 5.894 -12.130 28 H2* U 29 H2* U 29 57.014 6.161 -11.072 29 2HO* U 29 2HO* U 29 58.734 6.620 -12.226 30 H1* U 29 H1* U 29 57.171 8.911 -11.514 31 H3 U 29 H3 U 29 56.408 8.042 -7.060 32 H5 U 29 H5 U 29 52.635 8.417 -8.875 33 H6 U 29 H6 U 29 53.743 8.355 -11.006 34 1H5* C 30 1H5* C 30 58.717 4.876 -13.013 35 2H5* C 30 2H5* C 30 58.881 3.130 -13.283 36 H4* C 30 H4* C 30 60.594 3.854 -11.780 37 H3* C 30 H3* C 30 58.480 2.144 -10.499 38 H2* C 30 H2* C 30 59.679 2.328 -8.414 39 2HO* C 30 2HO* C 30 61.781 2.633 -8.446 40 H1* C 30 H1* C 30 60.161 5.068 -8.626 41 1H4 C 30 H42 C 30 54.788 4.381 -5.277 42 2H4 C 30 H41 C 30 53.857 4.520 -6.752 43 H5 C 30 H5 C 30 54.882 4.619 -8.937 44 H6 C 30 H6 C 30 57.002 4.640 -10.144 45 1H5* C 31 1H5* C 31 62.079 0.832 -9.166 46 2H5* C 31 2H5* C 31 62.304 -0.896 -9.500 47 H4* C 31 H4* C 31 62.918 -0.597 -7.263 48 H3* C 31 H3* C 31 60.176 -1.817 -7.469 49 H2* C 31 H2* C 31 60.067 -1.863 -5.064 50 2HO* C 31 2HO* C 31 61.994 -1.196 -3.868 51 H1* C 31 H1* C 31 61.170 0.697 -4.704 52 1H4 C 31 H42 C 31 54.849 1.351 -4.507 53 2H4 C 31 H41 C 31 54.809 1.585 -6.242 54 H5 C 31 H5 C 31 56.790 1.369 -7.631 55 H6 C 31 H6 C 31 59.168 0.831 -7.636 56 1H5* C 32 1H5* C 32 61.753 -3.908 -4.282 57 2H5* C 32 2H5* C 32 61.839 -5.583 -4.861 58 H4* C 32 H4* C 32 60.809 -5.241 -2.596 59 H3* C 32 H3* C 32 59.433 -6.792 -4.763 60 H2* C 32 H2* C 32 57.545 -7.135 -3.309 61 2HO* C 32 2HO* C 32 58.423 -5.705 -1.149 62 H1* C 32 H1* C 32 57.424 -4.511 -2.369 63 1H4 C 32 H42 C 32 53.526 -4.502 -7.379 64 2H4 C 32 H41 C 32 54.883 -4.259 -8.455 65 H5 C 32 H5 C 32 57.184 -4.276 -7.695 66 H6 C 32 H6 C 32 58.642 -4.529 -5.756 67 1H5* U 33 1H5* U 33 58.926 -9.466 -0.963 68 2H5* U 33 2H5* U 33 59.881 -10.801 -1.639 69 H4* U 33 H4* U 33 57.967 -11.766 -0.682 70 H3* U 33 H3* U 33 57.872 -11.712 -3.676 71 H2* U 33 H2* U 33 55.668 -12.684 -3.633 72 2HO* U 33 2HO* U 33 55.444 -14.095 -2.036 73 H1* U 33 H1* U 33 54.656 -11.027 -1.650 74 H3 U 33 H3 U 33 52.821 -9.203 -5.339 75 H5 U 33 H5 U 33 56.839 -7.988 -5.496 76 H6 U 33 H6 U 33 57.267 -9.423 -3.611 77 1H5* CM0 34 1H5* CM0 34 57.644 -16.433 -4.545 78 2H5* CM0 34 2H5* CM0 34 59.065 -16.065 -5.540 79 H4* CM0 34 H4* CM0 34 57.848 -15.663 -7.409 80 H3* CM0 34 H3* CM0 34 55.634 -14.647 -5.655 81 H1* CM0 34 H1* CM0 34 55.167 -17.746 -7.931 82 H2* CM0 34 H2* CM0 34 54.036 -15.254 -7.349 83 H6 CM0 34 H6 CM0 34 55.824 -17.846 -4.599 84 H3 CM0 34 H3 CM0 34 51.147 -17.903 -5.553 85 1H7C CM0 34 H7 CM0 34 56.395 -19.135 -2.320 86 2H7C CM0 34 H8 CM0 34 55.639 -20.225 -3.525 87 HA CM0 34 2HO* CM0 34 54.629 -15.598 -9.420 88 1H5* A 35 1H5* A 35 53.404 -13.246 -8.883 89 2H5* A 35 2H5* A 35 52.972 -11.682 -8.166 90 H4* A 35 H4* A 35 51.215 -13.638 -8.447 91 H3* A 35 H3* A 35 51.366 -11.639 -6.201 92 H2* A 35 H2* A 35 49.527 -12.752 -5.146 93 2HO* A 35 2HO* A 35 48.015 -13.495 -6.436 94 H1* A 35 H1* A 35 50.342 -15.383 -5.880 95 H8 A 35 H8 A 35 53.447 -14.270 -4.551 96 1H6 A 35 H62 A 35 51.107 -14.441 1.179 97 2H6 A 35 H61 A 35 52.573 -14.349 0.230 98 H2 A 35 H2 A 35 47.694 -14.618 -1.725 99 1H5* C 36 1H5* C 36 47.157 -11.695 -6.746 100 2H5* C 36 2H5* C 36 47.014 -10.232 -7.741 101 H4* C 36 H4* C 36 45.271 -9.840 -6.378 102 H3* C 36 H3* C 36 47.617 -8.741 -4.857 103 H2* C 36 H2* C 36 46.164 -8.276 -2.995 104 2HO* C 36 2HO* C 36 43.801 -9.106 -3.610 105 H1* C 36 H1* C 36 44.785 -10.712 -3.101 106 1H4 C 36 H42 C 36 49.429 -11.808 1.076 107 2H4 C 36 H41 C 36 50.561 -12.097 -0.225 108 H5 C 36 H5 C 36 49.992 -11.781 -2.559 109 H6 C 36 H6 C 36 48.225 -11.122 -4.109 110 1H5* A 37 1H5* A 37 45.032 -5.424 -4.119 111 2H5* A 37 2H5* A 37 46.131 -4.033 -4.214 112 H4* A 37 H4* A 37 44.967 -4.662 -1.968 113 H3* A 37 H3* A 37 47.773 -3.673 -2.325 114 H2* A 37 H2* A 37 48.190 -3.978 0.025 115 2HO* A 37 2HO* A 37 46.215 -4.878 1.233 116 H1* A 37 H1* A 37 46.983 -6.483 0.220 117 H8 A 37 H8 A 37 48.498 -6.872 -3.048 118 1H6 A 37 H62 A 37 54.023 -7.522 -0.329 119 2H6 A 37 H61 A 37 53.124 -7.715 -1.817 120 H2 A 37 H2 A 37 51.153 -5.911 2.718 121 1H5* A 38 1H5* A 38 46.082 -1.314 1.267 122 2H5* A 38 2H5* A 38 46.805 0.272 0.938 123 H4* A 38 H4* A 38 47.205 -0.890 3.219 124 H3* A 38 H3* A 38 49.221 0.633 1.615 125 H2* A 38 H2* A 38 50.960 0.024 3.165 126 2HO* A 38 2HO* A 38 49.074 0.064 4.918 127 H1* A 38 H1* A 38 50.271 -2.658 3.362 128 H8 A 38 H8 A 38 49.482 -1.788 -0.159 129 1H6 A 38 H62 A 38 55.493 -2.529 -1.442 130 2H6 A 38 H61 A 38 53.894 -2.327 -2.123 131 H2 A 38 H2 A 38 55.015 -2.497 3.018 132 1H5* G 39 1H5* G 39 50.287 1.516 4.989 133 2H5* G 39 2H5* G 39 50.703 3.204 5.344 134 H4* G 39 H4* G 39 52.645 1.809 5.590 135 H3* G 39 H3* G 39 52.756 3.709 3.255 136 H2* G 39 H2* G 39 54.991 2.900 2.817 137 2HO* G 39 2HO* G 39 54.649 1.626 5.346 138 H1* G 39 H1* G 39 54.325 0.204 3.116 139 H8 G 39 H8 G 39 51.344 1.609 1.487 140 H1 G 39 H1 G 39 56.285 0.976 -2.555 141 1H2 G 39 H22 G 39 58.141 0.628 -1.456 142 2H2 G 39 H21 G 39 58.174 0.519 0.294 143 1H5* G 40 1H5* G 40 56.266 4.020 5.078 144 2H5* G 40 2H5* G 40 56.651 5.679 5.578 145 H4* G 40 H4* G 40 58.560 4.889 4.484 146 H3* G 40 H3* G 40 56.998 6.727 2.683 147 H2* G 40 H2* G 40 58.703 6.410 1.006 148 2HO* G 40 2HO* G 40 60.103 4.953 3.031 149 H1* G 40 H1* G 40 58.880 3.644 1.352 150 H8 G 40 H8 G 40 55.281 4.337 1.738 151 H1 G 40 H1 G 40 57.213 4.470 -4.374 152 1H2 G 40 H22 G 40 59.399 4.599 -4.469 153 2H2 G 40 H21 G 40 60.403 4.610 -3.030 154 1H5* A 41 1H5* A 41 60.960 7.608 2.583 155 2H5* A 41 2H5* A 41 61.325 9.331 2.794 156 H4* A 41 H4* A 41 62.561 8.537 0.928 157 H3* A 41 H3* A 41 60.268 10.321 0.143 158 H2* A 41 H2* A 41 60.940 10.060 -2.161 159 2HO* A 41 2HO* A 41 63.223 8.773 -1.021 160 H1* A 41 H1* A 41 61.316 7.298 -2.002 161 H8 A 41 H8 A 41 58.354 7.972 0.145 162 1H6 A 41 H62 A 41 54.968 8.163 -5.014 163 2H6 A 41 H61 A 41 54.928 8.228 -3.259 164 H2 A 41 H2 A 41 59.287 8.129 -6.201 165 1H5* G 42 1H5* G 42 63.359 11.440 -2.120 166 2H5* G 42 2H5* G 42 63.735 13.161 -1.917 167 H4* G 42 H4* G 42 63.672 12.780 -4.228 168 H3* G 42 H3* G 42 61.144 14.143 -3.318 169 H2* G 42 H2* G 42 60.444 14.185 -5.628 170 2HO* G 42 2HO* G 42 63.117 13.304 -6.129 171 H1* G 42 H1* G 42 61.235 11.545 -6.159 172 H8 G 42 H8 G 42 59.822 11.415 -2.754 173 H1 G 42 H1 G 42 55.328 11.849 -7.313 174 1H2 G 42 H22 G 42 56.237 12.361 -9.234 175 2H2 G 42 H21 G 42 57.967 12.620 -9.396 176 1H5* G 43 1H5* G 43 62.359 15.996 -6.684 177 2H5* G 43 2H5* G 43 62.490 17.751 -6.458 178 H4* G 43 H4* G 43 61.257 17.390 -8.438 179 H3* G 43 H3* G 43 59.491 18.281 -6.168 180 H2* G 43 H2* G 43 57.626 18.233 -7.693 181 2HO* G 43 2HO* G 43 59.678 17.950 -9.658 182 H1* G 43 H1* G 43 58.387 15.812 -8.924 183 H8 G 43 H8 G 43 59.019 15.313 -5.315 184 H1 G 43 H1 G 43 52.802 14.921 -6.863 185 1H2 G 43 H22 G 43 52.475 15.691 -8.902 186 2H2 G 43 H21 G 43 53.798 16.289 -9.883 187 H3T G 43 H3T G 43 60.066 19.665 -8.502 Start of MODEL 6 1 1H5* C 27 1H5* C 27 44.330 14.278 -8.161 2 2H5* C 27 2H5* C 27 44.150 12.720 -8.987 3 H4* C 27 H4* C 27 45.352 14.054 -10.469 4 H3* C 27 H3* C 27 47.183 12.151 -9.039 5 H2* C 27 H2* C 27 49.037 13.085 -10.263 6 2HO* C 27 2HO* C 27 48.653 13.830 -12.215 7 H1* C 27 H1* C 27 48.285 15.745 -9.908 8 1H4 C 27 H42 C 27 52.250 14.448 -5.097 9 2H4 C 27 H41 C 27 50.878 14.000 -4.109 10 H5 C 27 H5 C 27 48.626 13.850 -4.970 11 H6 C 27 H6 C 27 47.224 14.119 -6.948 12 H5T C 27 H5T C 27 45.829 11.898 -7.741 13 1H5* C 28 1H5* C 28 48.244 12.017 -12.895 14 2H5* C 28 2H5* C 28 48.205 10.380 -13.579 15 H4* C 28 H4* C 28 50.274 11.256 -14.201 16 H3* C 28 H3* C 28 50.628 9.402 -11.854 17 H2* C 28 H2* C 28 53.000 9.825 -11.998 18 2HO* C 28 2HO* C 28 53.818 10.292 -13.901 19 H1* C 28 H1* C 28 52.728 12.584 -12.310 20 1H4 C 28 H42 C 28 53.458 11.646 -6.063 21 2H4 C 28 H41 C 28 51.712 11.575 -5.888 22 H5 C 28 H5 C 28 50.209 11.559 -7.765 23 H6 C 28 H6 C 28 50.049 11.658 -10.197 24 1H5* U 29 1H5* U 29 53.434 8.483 -14.653 25 2H5* U 29 2H5* U 29 53.510 6.749 -15.017 26 H4* U 29 H4* U 29 55.719 7.516 -14.637 27 H3* U 29 H3* U 29 54.704 5.831 -12.355 28 H2* U 29 H2* U 29 56.850 6.114 -11.302 29 2HO* U 29 2HO* U 29 58.579 6.541 -12.461 30 H1* U 29 H1* U 29 57.031 8.847 -11.829 31 H3 U 29 H3 U 29 56.240 8.098 -7.355 32 H5 U 29 H5 U 29 52.485 8.531 -9.200 33 H6 U 29 H6 U 29 53.601 8.364 -11.322 34 1H5* C 30 1H5* C 30 58.559 4.775 -13.205 35 2H5* C 30 2H5* C 30 58.718 3.020 -13.413 36 H4* C 30 H4* C 30 60.435 3.802 -11.936 37 H3* C 30 H3* C 30 58.330 2.114 -10.609 38 H2* C 30 H2* C 30 59.524 2.367 -8.527 39 2HO* C 30 2HO* C 30 61.623 2.724 -8.545 40 H1* C 30 H1* C 30 59.983 5.105 -8.814 41 1H4 C 30 H42 C 30 54.596 4.454 -5.472 42 2H4 C 30 H41 C 30 53.673 4.546 -6.954 43 H5 C 30 H5 C 30 54.710 4.607 -9.137 44 H6 C 30 H6 C 30 56.836 4.616 -10.332 45 1H5* C 31 1H5* C 31 61.877 0.962 -9.232 46 2H5* C 31 2H5* C 31 62.225 -0.749 -9.547 47 H4* C 31 H4* C 31 62.811 -0.430 -7.320 48 H3* C 31 H3* C 31 60.117 -1.747 -7.510 49 H2* C 31 H2* C 31 59.975 -1.742 -5.110 50 2HO* C 31 2HO* C 31 62.466 -2.148 -5.142 51 H1* C 31 H1* C 31 61.020 0.847 -4.773 52 1H4 C 31 H42 C 31 54.689 1.436 -4.624 53 2H4 C 31 H41 C 31 54.660 1.630 -6.362 54 H5 C 31 H5 C 31 56.647 1.399 -7.736 55 H6 C 31 H6 C 31 59.029 0.885 -7.720 56 1H5* C 32 1H5* C 32 61.445 -3.320 -4.059 57 2H5* C 32 2H5* C 32 61.934 -4.954 -4.549 58 H4* C 32 H4* C 32 60.704 -4.931 -2.434 59 H3* C 32 H3* C 32 59.592 -6.466 -4.752 60 H2* C 32 H2* C 32 57.655 -7.062 -3.454 61 2HO* C 32 2HO* C 32 57.931 -7.286 -1.360 62 H1* C 32 H1* C 32 57.199 -4.528 -2.413 63 1H4 C 32 H42 C 32 53.829 -4.471 -7.785 64 2H4 C 32 H41 C 32 55.270 -4.125 -8.715 65 H5 C 32 H5 C 32 57.485 -4.060 -7.734 66 H6 C 32 H6 C 32 58.759 -4.319 -5.670 67 1H5* U 33 1H5* U 33 59.592 -9.493 -0.873 68 2H5* U 33 2H5* U 33 60.486 -10.710 -1.805 69 H4* U 33 H4* U 33 58.667 -11.722 -0.576 70 H3* U 33 H3* U 33 58.541 -11.820 -3.565 71 H2* U 33 H2* U 33 56.400 -12.912 -3.463 72 2HO* U 33 2HO* U 33 56.803 -13.004 -0.630 73 H1* U 33 H1* U 33 55.306 -11.254 -1.517 74 H3 U 33 H3 U 33 53.304 -9.803 -5.296 75 H5 U 33 H5 U 33 57.161 -8.150 -5.463 76 H6 U 33 H6 U 33 57.727 -9.470 -3.531 77 1H5* CM0 34 1H5* CM0 34 57.501 -16.185 -2.685 78 2H5* CM0 34 2H5* CM0 34 58.810 -16.887 -3.656 79 H4* CM0 34 H4* CM0 34 57.447 -17.315 -5.455 80 H3* CM0 34 H3* CM0 34 55.640 -15.110 -4.507 81 H1* CM0 34 H1* CM0 34 54.549 -18.835 -4.676 82 H2* CM0 34 H2* CM0 34 53.768 -16.251 -5.488 83 H6 CM0 34 H6 CM0 34 55.455 -16.923 -1.914 84 H3 CM0 34 H3 CM0 34 50.744 -17.461 -2.465 85 1H7C CM0 34 H7 CM0 34 55.863 -17.454 0.683 86 2H7C CM0 34 H8 CM0 34 54.349 -18.347 1.029 87 HA CM0 34 2HO* CM0 34 54.023 -17.728 -7.065 88 1H5* A 35 1H5* A 35 53.745 -12.128 -5.974 89 2H5* A 35 2H5* A 35 53.817 -13.345 -4.685 90 H4* A 35 H4* A 35 51.823 -13.842 -6.789 91 H3* A 35 H3* A 35 51.689 -11.250 -6.178 92 H2* A 35 H2* A 35 51.687 -11.469 -3.769 93 2HO* A 35 2HO* A 35 49.000 -12.000 -3.800 94 H1* A 35 H1* A 35 49.725 -13.797 -3.998 95 H8 A 35 H8 A 35 53.204 -14.209 -2.618 96 1H6 A 35 H62 A 35 50.621 -14.070 3.007 97 2H6 A 35 H61 A 35 52.092 -14.375 2.112 98 H2 A 35 H2 A 35 47.486 -12.937 0.008 99 1H5* C 36 1H5* C 36 47.475 -11.778 -4.841 100 2H5* C 36 2H5* C 36 46.657 -11.250 -6.324 101 H4* C 36 H4* C 36 45.509 -9.740 -5.201 102 H3* C 36 H3* C 36 48.185 -8.632 -4.400 103 H2* C 36 H2* C 36 47.102 -7.331 -2.693 104 2HO* C 36 2HO* C 36 44.905 -7.818 -4.329 105 H1* C 36 H1* C 36 45.378 -9.378 -1.837 106 1H4 C 36 H42 C 36 50.237 -9.933 2.182 107 2H4 C 36 H41 C 36 51.264 -10.582 0.922 108 H5 C 36 H5 C 36 50.551 -10.774 -1.386 109 H6 C 36 H6 C 36 48.718 -10.381 -2.946 110 1H5* A 37 1H5* A 37 45.398 -5.658 -4.021 111 2H5* A 37 2H5* A 37 46.161 -4.069 -4.239 112 H4* A 37 H4* A 37 45.248 -4.781 -1.914 113 H3* A 37 H3* A 37 47.773 -3.270 -2.463 114 H2* A 37 H2* A 37 48.365 -3.364 -0.131 115 2HO* A 37 2HO* A 37 46.115 -3.055 0.567 116 H1* A 37 H1* A 37 47.755 -6.047 0.232 117 H8 A 37 H8 A 37 49.048 -5.919 -3.237 118 1H6 A 37 H62 A 37 54.768 -5.942 -0.866 119 2H6 A 37 H61 A 37 53.819 -6.106 -2.326 120 H2 A 37 H2 A 37 51.877 -5.214 2.483 121 1H5* A 38 1H5* A 38 45.776 -1.025 1.074 122 2H5* A 38 2H5* A 38 46.481 0.589 0.853 123 H4* A 38 H4* A 38 46.920 -0.680 3.045 124 H3* A 38 H3* A 38 48.968 0.843 1.477 125 H2* A 38 H2* A 38 50.690 0.128 3.003 126 2HO* A 38 2HO* A 38 50.182 -0.352 5.017 127 H1* A 38 H1* A 38 49.905 -2.536 3.112 128 H8 A 38 H8 A 38 49.270 -1.182 -0.355 129 1H6 A 38 H62 A 38 55.113 -2.766 -1.654 130 2H6 A 38 H61 A 38 53.596 -2.206 -2.321 131 H2 A 38 H2 A 38 54.494 -3.229 2.764 132 1H5* G 39 1H5* G 39 50.096 1.632 4.846 133 2H5* G 39 2H5* G 39 50.482 3.318 5.240 134 H4* G 39 H4* G 39 52.456 1.990 5.465 135 H3* G 39 H3* G 39 52.511 3.864 3.109 136 H2* G 39 H2* G 39 54.757 3.093 2.657 137 2HO* G 39 2HO* G 39 54.475 1.745 5.162 138 H1* G 39 H1* G 39 54.151 0.387 3.004 139 H8 G 39 H8 G 39 51.135 1.723 1.372 140 H1 G 39 H1 G 39 56.060 1.082 -2.690 141 1H2 G 39 H22 G 39 57.926 0.774 -1.594 142 2H2 G 39 H21 G 39 57.967 0.692 0.158 143 1H5* G 40 1H5* G 40 56.033 4.275 4.933 144 2H5* G 40 2H5* G 40 56.397 5.955 5.372 145 H4* G 40 H4* G 40 58.306 5.131 4.290 146 H3* G 40 H3* G 40 56.736 6.926 2.451 147 H2* G 40 H2* G 40 58.455 6.585 0.796 148 2HO* G 40 2HO* G 40 59.841 5.158 2.851 149 H1* G 40 H1* G 40 58.630 3.828 1.197 150 H8 G 40 H8 G 40 55.030 4.505 1.541 151 H1 G 40 H1 G 40 57.010 4.585 -4.557 152 1H2 G 40 H22 G 40 59.197 4.734 -4.640 153 2H2 G 40 H21 G 40 60.185 4.776 -3.192 154 1H5* A 41 1H5* A 41 60.709 7.789 2.360 155 2H5* A 41 2H5* A 41 61.075 9.519 2.500 156 H4* A 41 H4* A 41 62.321 8.615 0.680 157 H3* A 41 H3* A 41 60.083 10.436 -0.175 158 H2* A 41 H2* A 41 60.776 10.097 -2.463 159 2HO* A 41 2HO* A 41 62.987 8.696 -1.309 160 H1* A 41 H1* A 41 61.070 7.332 -2.226 161 H8 A 41 H8 A 41 58.110 8.118 -0.128 162 1H6 A 41 H62 A 41 54.778 8.307 -5.331 163 2H6 A 41 H61 A 41 54.711 8.388 -3.579 164 H2 A 41 H2 A 41 59.102 8.142 -6.470 165 1H5* G 42 1H5* G 42 63.275 11.399 -2.420 166 2H5* G 42 2H5* G 42 63.684 13.119 -2.263 167 H4* G 42 H4* G 42 63.675 12.640 -4.563 168 H3* G 42 H3* G 42 61.192 14.146 -3.760 169 H2* G 42 H2* G 42 60.527 14.124 -6.078 170 2HO* G 42 2HO* G 42 63.112 13.000 -6.564 171 H1* G 42 H1* G 42 61.208 11.436 -6.498 172 H8 G 42 H8 G 42 59.759 11.492 -3.107 173 H1 G 42 H1 G 42 55.331 11.925 -7.729 174 1H2 G 42 H22 G 42 56.282 12.335 -9.664 175 2H2 G 42 H21 G 42 58.022 12.532 -9.805 176 1H5* G 43 1H5* G 43 62.552 15.803 -7.178 177 2H5* G 43 2H5* G 43 62.751 17.560 -7.025 178 H4* G 43 H4* G 43 61.539 17.152 -9.013 179 H3* G 43 H3* G 43 59.781 18.235 -6.822 180 H2* G 43 H2* G 43 57.940 18.196 -8.374 181 2HO* G 43 2HO* G 43 59.935 17.574 -10.329 182 H1* G 43 H1* G 43 58.605 15.684 -9.471 183 H8 G 43 H8 G 43 59.164 15.335 -5.834 184 H1 G 43 H1 G 43 52.956 15.136 -7.452 185 1H2 G 43 H22 G 43 52.686 15.837 -9.523 186 2H2 G 43 H21 G 43 54.045 16.334 -10.514 187 H3T G 43 H3T G 43 60.701 19.911 -7.478 Start of MODEL 7 1 1H5* C 27 1H5* C 27 44.044 13.015 -7.179 2 2H5* C 27 2H5* C 27 43.966 11.486 -8.076 3 H4* C 27 H4* C 27 44.995 12.988 -9.529 4 H3* C 27 H3* C 27 47.032 11.184 -8.256 5 H2* C 27 H2* C 27 48.754 12.329 -9.492 6 2HO* C 27 2HO* C 27 48.237 13.129 -11.391 7 H1* C 27 H1* C 27 47.795 14.896 -8.981 8 1H4 C 27 H42 C 27 52.028 13.722 -4.371 9 2H4 C 27 H41 C 27 50.735 13.113 -3.361 10 H5 C 27 H5 C 27 48.473 12.810 -4.156 11 H6 C 27 H6 C 27 46.982 13.051 -6.073 12 H5T C 27 H5T C 27 44.736 11.337 -5.858 13 1H5* C 28 1H5* C 28 47.957 11.320 -12.143 14 2H5* C 28 2H5* C 28 48.029 9.720 -12.907 15 H4* C 28 H4* C 28 49.995 10.796 -13.550 16 H3* C 28 H3* C 28 50.588 8.873 -11.308 17 H2* C 28 H2* C 28 52.908 9.502 -11.509 18 2HO* C 28 2HO* C 28 53.615 10.130 -13.412 19 H1* C 28 H1* C 28 52.394 12.240 -11.677 20 1H4 C 28 H42 C 28 53.432 11.083 -5.510 21 2H4 C 28 H41 C 28 51.706 10.854 -5.283 22 H5 C 28 H5 C 28 50.140 10.795 -7.107 23 H6 C 28 H6 C 28 49.883 10.992 -9.524 24 1H5* U 29 1H5* U 29 53.358 8.331 -14.240 25 2H5* U 29 2H5* U 29 53.567 6.629 -14.692 26 H4* U 29 H4* U 29 55.716 7.565 -14.345 27 H3* U 29 H3* U 29 54.932 5.694 -12.118 28 H2* U 29 H2* U 29 57.083 6.113 -11.122 29 2HO* U 29 2HO* U 29 58.726 6.742 -12.315 30 H1* U 29 H1* U 29 57.012 8.873 -11.520 31 H3 U 29 H3 U 29 56.451 7.848 -7.064 32 H5 U 29 H5 U 29 52.608 8.041 -8.764 33 H6 U 29 H6 U 29 53.656 8.071 -10.926 34 1H5* C 30 1H5* C 30 58.829 5.017 -13.145 35 2H5* C 30 2H5* C 30 59.130 3.294 -13.444 36 H4* C 30 H4* C 30 60.827 4.155 -11.987 37 H3* C 30 H3* C 30 58.928 2.228 -10.678 38 H2* C 30 H2* C 30 60.172 2.486 -8.628 39 2HO* C 30 2HO* C 30 62.231 3.024 -8.700 40 H1* C 30 H1* C 30 60.382 5.264 -8.792 41 1H4 C 30 H42 C 30 55.198 3.988 -5.311 42 2H4 C 30 H41 C 30 54.217 4.069 -6.754 43 H5 C 30 H5 C 30 55.164 4.322 -8.965 44 H6 C 30 H6 C 30 57.233 4.575 -10.228 45 1H5* C 31 1H5* C 31 62.614 1.327 -9.480 46 2H5* C 31 2H5* C 31 63.093 -0.331 -9.893 47 H4* C 31 H4* C 31 63.732 -0.062 -7.672 48 H3* C 31 H3* C 31 61.158 -1.606 -7.843 49 H2* C 31 H2* C 31 61.099 -1.725 -5.443 50 2HO* C 31 2HO* C 31 62.949 -1.807 -4.401 51 H1* C 31 H1* C 31 61.931 0.927 -5.009 52 1H4 C 31 H42 C 31 55.584 0.956 -4.617 53 2H4 C 31 H41 C 31 55.474 1.227 -6.343 54 H5 C 31 H5 C 31 57.419 1.234 -7.793 55 H6 C 31 H6 C 31 59.837 0.930 -7.882 56 1H5* C 32 1H5* C 32 62.253 -3.568 -4.595 57 2H5* C 32 2H5* C 32 62.305 -5.258 -5.136 58 H4* C 32 H4* C 32 60.696 -4.607 -3.245 59 H3* C 32 H3* C 32 60.014 -6.376 -5.562 60 H2* C 32 H2* C 32 57.735 -6.525 -4.788 61 2HO* C 32 2HO* C 32 57.330 -5.183 -2.748 62 H1* C 32 H1* C 32 57.422 -3.814 -4.293 63 1H4 C 32 H42 C 32 55.672 -4.386 -10.367 64 2H4 C 32 H41 C 32 57.345 -4.315 -10.877 65 H5 C 32 H5 C 32 59.195 -4.274 -9.312 66 H6 C 32 H6 C 32 59.811 -4.292 -6.952 67 1H5* U 33 1H5* U 33 59.030 -9.261 -1.766 68 2H5* U 33 2H5* U 33 59.463 -10.757 -2.617 69 H4* U 33 H4* U 33 57.172 -10.660 -1.550 70 H3* U 33 H3* U 33 57.617 -11.510 -4.392 71 H2* U 33 H2* U 33 55.235 -11.776 -4.670 72 2HO* U 33 2HO* U 33 54.885 -12.637 -2.520 73 H1* U 33 H1* U 33 54.546 -9.365 -3.473 74 H3 U 33 H3 U 33 54.057 -8.688 -7.944 75 H5 U 33 H5 U 33 58.143 -8.087 -7.183 76 H6 U 33 H6 U 33 57.772 -8.916 -4.954 77 1H5* CM0 34 1H5* CM0 34 56.973 -16.680 -3.560 78 2H5* CM0 34 2H5* CM0 34 58.053 -16.396 -4.939 79 H4* CM0 34 H4* CM0 34 56.507 -17.084 -6.348 80 H3* CM0 34 H3* CM0 34 54.844 -14.863 -5.214 81 H1* CM0 34 H1* CM0 34 53.479 -18.488 -5.448 82 H2* CM0 34 H2* CM0 34 52.865 -15.852 -6.153 83 H6 CM0 34 H6 CM0 34 54.810 -16.892 -2.698 84 H3 CM0 34 H3 CM0 34 50.045 -16.709 -2.892 85 1H7C CM0 34 H7 CM0 34 54.832 -18.024 0.280 86 2H7C CM0 34 H8 CM0 34 53.055 -18.222 0.393 87 HA CM0 34 2HO* CM0 34 53.643 -16.499 -8.159 88 1H5* A 35 1H5* A 35 52.917 -12.778 -8.346 89 2H5* A 35 2H5* A 35 52.961 -11.384 -7.250 90 H4* A 35 H4* A 35 50.949 -13.340 -7.517 91 H3* A 35 H3* A 35 51.299 -10.987 -5.672 92 H2* A 35 H2* A 35 49.490 -11.816 -4.340 93 2HO* A 35 2HO* A 35 49.001 -13.454 -6.622 94 H1* A 35 H1* A 35 50.187 -14.559 -4.603 95 H8 A 35 H8 A 35 53.409 -13.368 -3.726 96 1H6 A 35 H62 A 35 51.505 -12.267 2.062 97 2H6 A 35 H61 A 35 52.898 -12.444 1.020 98 H2 A 35 H2 A 35 47.878 -12.846 -0.511 99 1H5* C 36 1H5* C 36 46.705 -10.889 -6.401 100 2H5* C 36 2H5* C 36 46.774 -9.314 -7.216 101 H4* C 36 H4* C 36 45.014 -9.203 -5.658 102 H3* C 36 H3* C 36 47.434 -7.641 -4.840 103 H2* C 36 H2* C 36 46.383 -7.056 -2.755 104 2HO* C 36 2HO* C 36 44.234 -7.158 -2.498 105 H1* C 36 H1* C 36 45.420 -9.597 -2.173 106 1H4 C 36 H42 C 36 51.161 -9.646 0.517 107 2H4 C 36 H41 C 36 51.917 -9.933 -1.034 108 H5 C 36 H5 C 36 50.681 -9.962 -3.116 109 H6 C 36 H6 C 36 48.475 -9.720 -4.128 110 1H5* A 37 1H5* A 37 44.236 -4.727 -3.918 111 2H5* A 37 2H5* A 37 45.084 -3.179 -4.096 112 H4* A 37 H4* A 37 44.240 -3.761 -1.789 113 H3* A 37 H3* A 37 47.040 -2.853 -2.337 114 H2* A 37 H2* A 37 47.616 -3.162 -0.019 115 2HO* A 37 2HO* A 37 44.922 -2.865 0.262 116 H1* A 37 H1* A 37 46.420 -5.650 0.259 117 H8 A 37 H8 A 37 47.914 -5.003 -3.203 118 1H6 A 37 H62 A 37 53.029 -7.717 -1.007 119 2H6 A 37 H61 A 37 52.250 -7.061 -2.429 120 H2 A 37 H2 A 37 50.146 -7.221 2.393 121 1H5* A 38 1H5* A 38 46.016 -0.643 1.176 122 2H5* A 38 2H5* A 38 47.079 0.778 1.208 123 H4* A 38 H4* A 38 47.389 -1.084 2.966 124 H3* A 38 H3* A 38 49.604 0.313 1.501 125 H2* A 38 H2* A 38 51.211 -1.100 2.608 126 2HO* A 38 2HO* A 38 50.316 -2.681 4.183 127 H1* A 38 H1* A 38 49.801 -3.476 2.234 128 H8 A 38 H8 A 38 49.132 -1.612 -0.881 129 1H6 A 38 H62 A 38 54.715 -3.376 -2.897 130 2H6 A 38 H61 A 38 53.186 -2.656 -3.353 131 H2 A 38 H2 A 38 54.461 -4.300 1.483 132 1H5* G 39 1H5* G 39 51.323 0.287 4.820 133 2H5* G 39 2H5* G 39 51.580 1.897 5.519 134 H4* G 39 H4* G 39 53.671 0.847 5.553 135 H3* G 39 H3* G 39 53.509 2.823 3.289 136 H2* G 39 H2* G 39 55.794 2.266 2.737 137 2HO* G 39 2HO* G 39 55.720 0.729 5.149 138 H1* G 39 H1* G 39 55.429 -0.493 2.961 139 H8 G 39 H8 G 39 52.248 0.660 1.504 140 H1 G 39 H1 G 39 57.053 0.636 -2.749 141 1H2 G 39 H22 G 39 58.978 0.434 -1.735 142 2H2 G 39 H21 G 39 59.093 0.274 0.010 143 1H5* G 40 1H5* G 40 57.031 3.438 5.012 144 2H5* G 40 2H5* G 40 57.275 5.117 5.536 145 H4* G 40 H4* G 40 59.202 4.525 4.345 146 H3* G 40 H3* G 40 57.413 6.261 2.654 147 H2* G 40 H2* G 40 59.091 6.154 0.926 148 2HO* G 40 2HO* G 40 60.672 4.757 2.859 149 H1* G 40 H1* G 40 59.520 3.404 1.180 150 H8 G 40 H8 G 40 55.888 3.747 1.678 151 H1 G 40 H1 G 40 57.626 4.285 -4.471 152 1H2 G 40 H22 G 40 59.786 4.629 -4.618 153 2H2 G 40 H21 G 40 60.821 4.689 -3.201 154 1H5* A 41 1H5* A 41 61.292 7.472 2.473 155 2H5* A 41 2H5* A 41 61.511 9.219 2.688 156 H4* A 41 H4* A 41 62.760 8.515 0.784 157 H3* A 41 H3* A 41 60.344 10.172 0.097 158 H2* A 41 H2* A 41 60.977 10.005 -2.227 159 2HO* A 41 2HO* A 41 63.353 8.797 -1.189 160 H1* A 41 H1* A 41 61.518 7.267 -2.141 161 H8 A 41 H8 A 41 58.579 7.689 0.090 162 1H6 A 41 H62 A 41 55.053 7.837 -4.985 163 2H6 A 41 H61 A 41 55.045 7.827 -3.229 164 H2 A 41 H2 A 41 59.330 8.102 -6.270 165 1H5* G 42 1H5* G 42 63.362 11.516 -2.201 166 2H5* G 42 2H5* G 42 63.623 13.255 -1.971 167 H4* G 42 H4* G 42 63.575 12.883 -4.292 168 H3* G 42 H3* G 42 61.005 14.130 -3.335 169 H2* G 42 H2* G 42 60.260 14.157 -5.629 170 2HO* G 42 2HO* G 42 62.912 13.286 -6.254 171 H1* G 42 H1* G 42 61.149 11.562 -6.203 172 H8 G 42 H8 G 42 59.825 11.336 -2.767 173 H1 G 42 H1 G 42 55.211 11.595 -7.217 174 1H2 G 42 H22 G 42 56.054 12.176 -9.162 175 2H2 G 42 H21 G 42 57.765 12.528 -9.347 176 1H5* G 43 1H5* G 43 62.096 16.052 -6.710 177 2H5* G 43 2H5* G 43 62.152 17.810 -6.479 178 H4* G 43 H4* G 43 60.908 17.392 -8.446 179 H3* G 43 H3* G 43 59.144 18.217 -6.149 180 H2* G 43 H2* G 43 57.259 18.093 -7.642 181 2HO* G 43 2HO* G 43 59.228 17.731 -9.688 182 H1* G 43 H1* G 43 58.092 15.699 -8.880 183 H8 G 43 H8 G 43 58.810 15.236 -5.284 184 H1 G 43 H1 G 43 52.587 14.577 -6.708 185 1H2 G 43 H22 G 43 52.186 15.343 -8.735 186 2H2 G 43 H21 G 43 53.457 16.000 -9.743 187 H3T G 43 H3T G 43 60.434 19.395 -8.303 Start of MODEL 8 1 1H5* C 27 1H5* C 27 43.802 13.365 -8.065 2 2H5* C 27 2H5* C 27 43.729 11.833 -8.955 3 H4* C 27 H4* C 27 44.755 13.324 -10.416 4 H3* C 27 H3* C 27 46.801 11.545 -9.123 5 H2* C 27 H2* C 27 48.518 12.689 -10.367 6 2HO* C 27 2HO* C 27 47.998 13.466 -12.275 7 H1* C 27 H1* C 27 47.540 15.253 -9.880 8 1H4 C 27 H42 C 27 51.780 14.136 -5.263 9 2H4 C 27 H41 C 27 50.490 13.530 -4.246 10 H5 C 27 H5 C 27 48.228 13.213 -5.038 11 H6 C 27 H6 C 27 46.738 13.430 -6.957 12 H5T C 27 H5T C 27 45.041 12.457 -6.646 13 1H5* C 28 1H5* C 28 47.728 11.660 -13.024 14 2H5* C 28 2H5* C 28 47.807 10.051 -13.769 15 H4* C 28 H4* C 28 49.761 11.136 -14.436 16 H3* C 28 H3* C 28 50.375 9.232 -12.185 17 H2* C 28 H2* C 28 52.690 9.876 -12.389 18 2HO* C 28 2HO* C 28 53.394 10.494 -14.296 19 H1* C 28 H1* C 28 52.163 12.611 -12.574 20 1H4 C 28 H42 C 28 53.186 11.494 -6.396 21 2H4 C 28 H41 C 28 51.458 11.263 -6.175 22 H5 C 28 H5 C 28 49.901 11.185 -8.003 23 H6 C 28 H6 C 28 49.653 11.362 -10.422 24 1H5* U 29 1H5* U 29 53.160 8.688 -15.107 25 2H5* U 29 2H5* U 29 53.362 6.982 -15.550 26 H4* U 29 H4* U 29 55.516 7.906 -15.205 27 H3* U 29 H3* U 29 54.711 6.062 -12.962 28 H2* U 29 H2* U 29 56.860 6.474 -11.962 29 2HO* U 29 2HO* U 29 58.513 7.067 -13.155 30 H1* U 29 H1* U 29 56.815 9.232 -12.390 31 H3 U 29 H3 U 29 56.238 8.271 -7.925 32 H5 U 29 H5 U 29 52.400 8.443 -9.633 33 H6 U 29 H6 U 29 53.450 8.451 -11.794 34 1H5* C 30 1H5* C 30 58.611 5.337 -13.952 35 2H5* C 30 2H5* C 30 58.889 3.608 -14.235 36 H4* C 30 H4* C 30 60.585 4.454 -12.769 37 H3* C 30 H3* C 30 58.643 2.573 -11.457 38 H2* C 30 H2* C 30 59.869 2.833 -9.396 39 2HO* C 30 2HO* C 30 61.937 3.334 -9.454 40 H1* C 30 H1* C 30 60.129 5.604 -9.589 41 1H4 C 30 H42 C 30 54.895 4.459 -6.144 42 2H4 C 30 H41 C 30 53.926 4.540 -7.599 43 H5 C 30 H5 C 30 54.898 4.748 -9.801 44 H6 C 30 H6 C 30 56.983 4.947 -11.049 45 1H5* C 31 1H5* C 31 62.357 1.563 -10.219 46 2H5* C 31 2H5* C 31 62.732 -0.133 -10.581 47 H4* C 31 H4* C 31 63.372 0.196 -8.355 48 H3* C 31 H3* C 31 60.759 -1.281 -8.527 49 H2* C 31 H2* C 31 60.680 -1.352 -6.125 50 2HO* C 31 2HO* C 31 63.140 -1.667 -6.153 51 H1* C 31 H1* C 31 61.568 1.289 -5.740 52 1H4 C 31 H42 C 31 55.219 1.429 -5.416 53 2H4 C 31 H41 C 31 55.129 1.682 -7.146 54 H5 C 31 H5 C 31 57.092 1.638 -8.573 55 H6 C 31 H6 C 31 59.503 1.291 -8.632 56 1H5* C 32 1H5* C 32 62.060 -3.056 -5.343 57 2H5* C 32 2H5* C 32 62.155 -4.791 -5.700 58 H4* C 32 H4* C 32 60.693 -3.905 -3.727 59 H3* C 32 H3* C 32 60.054 -6.164 -5.586 60 H2* C 32 H2* C 32 57.870 -6.388 -4.599 61 2HO* C 32 2HO* C 32 58.706 -4.398 -2.723 62 H1* C 32 H1* C 32 57.273 -3.674 -4.563 63 1H4 C 32 H42 C 32 55.100 -5.535 -10.224 64 2H4 C 32 H41 C 32 56.710 -5.442 -10.900 65 H5 C 32 H5 C 32 58.671 -4.953 -9.565 66 H6 C 32 H6 C 32 59.481 -4.464 -7.316 67 1H5* U 33 1H5* U 33 58.597 -7.576 -1.423 68 2H5* U 33 2H5* U 33 59.770 -8.903 -1.311 69 H4* U 33 H4* U 33 57.542 -9.582 -0.597 70 H3* U 33 H3* U 33 58.783 -10.957 -2.946 71 H2* U 33 H2* U 33 56.789 -12.263 -3.276 72 2HO* U 33 2HO* U 33 55.947 -11.109 -0.797 73 H1* U 33 H1* U 33 54.996 -10.164 -2.990 74 H3 U 33 H3 U 33 55.240 -11.074 -7.451 75 H5 U 33 H5 U 33 58.405 -8.425 -6.670 76 H6 U 33 H6 U 33 57.956 -8.704 -4.322 77 1H5* CM0 34 1H5* CM0 34 57.425 -14.896 0.142 78 2H5* CM0 34 2H5* CM0 34 59.015 -15.540 -0.312 79 H4* CM0 34 H4* CM0 34 58.118 -16.860 -2.029 80 H3* CM0 34 H3* CM0 34 55.659 -15.159 -1.878 81 H1* CM0 34 H1* CM0 34 55.562 -18.824 -0.627 82 H2* CM0 34 H2* CM0 34 54.280 -17.068 -2.363 83 H6 CM0 34 H6 CM0 34 56.059 -16.268 1.455 84 H3 CM0 34 H3 CM0 34 51.406 -17.086 0.772 85 1H7C CM0 34 H7 CM0 34 55.744 -16.875 4.242 86 2H7C CM0 34 H8 CM0 34 54.094 -16.690 4.916 87 HA CM0 34 2HO* CM0 34 55.368 -19.117 -2.824 88 1H5* A 35 1H5* A 35 53.375 -13.340 -4.372 89 2H5* A 35 2H5* A 35 54.048 -13.411 -2.732 90 H4* A 35 H4* A 35 51.618 -14.972 -3.572 91 H3* A 35 H3* A 35 51.712 -12.117 -2.654 92 H2* A 35 H2* A 35 49.841 -12.512 -1.217 93 2HO* A 35 2HO* A 35 48.469 -13.690 -2.481 94 H1* A 35 H1* A 35 50.624 -15.099 -0.389 95 H8 A 35 H8 A 35 53.780 -13.568 0.082 96 1H6 A 35 H62 A 35 51.597 -10.367 4.912 97 2H6 A 35 H61 A 35 53.039 -10.895 4.075 98 H2 A 35 H2 A 35 48.102 -11.994 2.624 99 1H5* C 36 1H5* C 36 47.286 -12.928 -3.753 100 2H5* C 36 2H5* C 36 47.319 -11.858 -5.167 101 H4* C 36 H4* C 36 45.279 -11.412 -4.157 102 H3* C 36 H3* C 36 47.285 -9.288 -3.494 103 H2* C 36 H2* C 36 45.683 -8.199 -2.065 104 2HO* C 36 2HO* C 36 43.517 -8.827 -2.059 105 H1* C 36 H1* C 36 44.795 -10.510 -0.796 106 1H4 C 36 H42 C 36 49.586 -8.577 2.887 107 2H4 C 36 H41 C 36 50.743 -9.339 1.817 108 H5 C 36 H5 C 36 50.111 -10.373 -0.280 109 H6 C 36 H6 C 36 48.248 -10.883 -1.771 110 1H5* A 37 1H5* A 37 44.776 -6.281 -3.714 111 2H5* A 37 2H5* A 37 45.885 -4.987 -4.209 112 H4* A 37 H4* A 37 45.123 -5.400 -1.677 113 H3* A 37 H3* A 37 47.651 -4.191 -2.739 114 H2* A 37 H2* A 37 48.569 -4.136 -0.515 115 2HO* A 37 2HO* A 37 46.153 -3.764 0.236 116 H1* A 37 H1* A 37 47.772 -6.706 0.199 117 H8 A 37 H8 A 37 48.598 -7.334 -3.279 118 1H6 A 37 H62 A 37 54.609 -7.078 -1.810 119 2H6 A 37 H61 A 37 53.450 -7.539 -3.037 120 H2 A 37 H2 A 37 52.263 -5.425 1.635 121 1H5* A 38 1H5* A 38 46.266 -1.597 0.746 122 2H5* A 38 2H5* A 38 46.977 -0.009 0.392 123 H4* A 38 H4* A 38 47.598 -1.231 2.580 124 H3* A 38 H3* A 38 49.475 0.271 0.798 125 H2* A 38 H2* A 38 51.350 -0.418 2.144 126 2HO* A 38 2HO* A 38 51.060 -1.372 4.143 127 H1* A 38 H1* A 38 50.614 -3.084 2.351 128 H8 A 38 H8 A 38 49.473 -2.042 -1.039 129 1H6 A 38 H62 A 38 55.265 -3.022 -2.999 130 2H6 A 38 H61 A 38 53.616 -2.712 -3.493 131 H2 A 38 H2 A 38 55.272 -3.158 1.483 132 1H5* G 39 1H5* G 39 50.826 1.069 4.094 133 2H5* G 39 2H5* G 39 51.117 2.758 4.558 134 H4* G 39 H4* G 39 53.169 1.557 4.716 135 H3* G 39 H3* G 39 53.086 3.489 2.409 136 H2* G 39 H2* G 39 55.369 2.864 1.914 137 2HO* G 39 2HO* G 39 55.205 1.384 4.355 138 H1* G 39 H1* G 39 54.926 0.123 2.183 139 H8 G 39 H8 G 39 51.806 1.309 0.640 140 H1 G 39 H1 G 39 56.689 1.126 -3.514 141 1H2 G 39 H22 G 39 58.591 0.914 -2.460 142 2H2 G 39 H21 G 39 58.670 0.780 -0.713 143 1H5* G 40 1H5* G 40 56.594 4.063 4.180 144 2H5* G 40 2H5* G 40 56.855 5.743 4.688 145 H4* G 40 H4* G 40 58.798 5.107 3.550 146 H3* G 40 H3* G 40 57.071 6.844 1.798 147 H2* G 40 H2* G 40 58.767 6.677 0.093 148 2HO* G 40 2HO* G 40 60.303 5.292 2.071 149 H1* G 40 H1* G 40 59.150 3.928 0.396 150 H8 G 40 H8 G 40 55.519 4.339 0.855 151 H1 G 40 H1 G 40 57.320 4.728 -5.285 152 1H2 G 40 H22 G 40 59.488 5.031 -5.419 153 2H2 G 40 H21 G 40 60.512 5.098 -3.994 154 1H5* A 41 1H5* A 41 60.966 8.000 1.650 155 2H5* A 41 2H5* A 41 61.210 9.744 1.861 156 H4* A 41 H4* A 41 62.471 9.027 -0.025 157 H3* A 41 H3* A 41 60.071 10.686 -0.761 158 H2* A 41 H2* A 41 60.724 10.485 -3.076 159 2HO* A 41 2HO* A 41 63.090 9.305 -1.987 160 H1* A 41 H1* A 41 61.255 7.747 -2.951 161 H8 A 41 H8 A 41 58.296 8.217 -0.753 162 1H6 A 41 H62 A 41 54.822 8.281 -5.860 163 2H6 A 41 H61 A 41 54.799 8.311 -4.105 164 H2 A 41 H2 A 41 59.113 8.522 -7.111 165 1H5* G 42 1H5* G 42 63.093 11.976 -3.061 166 2H5* G 42 2H5* G 42 63.370 13.716 -2.851 167 H4* G 42 H4* G 42 63.319 13.329 -5.166 168 H3* G 42 H3* G 42 60.746 14.585 -4.231 169 H2* G 42 H2* G 42 60.014 14.593 -6.530 170 2HO* G 42 2HO* G 42 62.685 13.752 -7.107 171 H1* G 42 H1* G 42 60.906 11.990 -7.074 172 H8 G 42 H8 G 42 59.560 11.800 -3.644 173 H1 G 42 H1 G 42 54.971 12.016 -8.121 174 1H2 G 42 H22 G 42 55.824 12.574 -10.065 175 2H2 G 42 H21 G 42 57.537 12.923 -10.248 176 1H5* G 43 1H5* G 43 61.838 16.481 -7.633 177 2H5* G 43 2H5* G 43 61.888 18.239 -7.405 178 H4* G 43 H4* G 43 60.645 17.814 -9.369 179 H3* G 43 H3* G 43 58.880 18.640 -7.073 180 H2* G 43 H2* G 43 56.994 18.506 -8.567 181 2HO* G 43 2HO* G 43 59.003 18.233 -10.584 182 H1* G 43 H1* G 43 57.833 16.112 -9.796 183 H8 G 43 H8 G 43 58.556 15.666 -6.198 184 H1 G 43 H1 G 43 52.335 14.975 -7.617 185 1H2 G 43 H22 G 43 51.930 15.729 -9.649 186 2H2 G 43 H21 G 43 53.203 16.385 -10.660 187 H3T G 43 H3T G 43 60.482 19.981 -8.228 Start of MODEL 9 1 1H5* C 27 1H5* C 27 44.189 14.076 -7.906 2 2H5* C 27 2H5* C 27 44.020 12.514 -8.728 3 H4* C 27 H4* C 27 45.165 13.871 -10.233 4 H3* C 27 H3* C 27 47.059 11.998 -8.846 5 H2* C 27 H2* C 27 48.871 12.962 -10.107 6 2HO* C 27 2HO* C 27 48.432 13.699 -12.050 7 H1* C 27 H1* C 27 48.083 15.610 -9.732 8 1H4 C 27 H42 C 27 52.168 14.362 -5.012 9 2H4 C 27 H41 C 27 50.824 13.893 -3.992 10 H5 C 27 H5 C 27 48.553 13.716 -4.805 11 H6 C 27 H6 C 27 47.108 13.969 -6.754 12 H5T C 27 H5T C 27 45.411 11.619 -7.376 13 1H5* C 28 1H5* C 28 48.036 11.890 -12.730 14 2H5* C 28 2H5* C 28 48.000 10.253 -13.415 15 H4* C 28 H4* C 28 50.039 11.159 -14.093 16 H3* C 28 H3* C 28 50.483 9.306 -11.761 17 H2* C 28 H2* C 28 52.842 9.767 -11.958 18 2HO* C 28 2HO* C 28 53.608 10.250 -13.879 19 H1* C 28 H1* C 28 52.524 12.521 -12.254 20 1H4 C 28 H42 C 28 53.385 11.580 -6.024 21 2H4 C 28 H41 C 28 51.643 11.488 -5.817 22 H5 C 28 H5 C 28 50.105 11.453 -7.664 23 H6 C 28 H6 C 28 49.901 11.551 -10.092 24 1H5* U 29 1H5* U 29 53.240 8.440 -14.627 25 2H5* U 29 2H5* U 29 53.333 6.708 -14.995 26 H4* U 29 H4* U 29 55.539 7.508 -14.662 27 H3* U 29 H3* U 29 54.599 5.800 -12.365 28 H2* U 29 H2* U 29 56.760 6.116 -11.354 29 2HO* U 29 2HO* U 29 58.459 6.563 -12.548 30 H1* U 29 H1* U 29 56.891 8.853 -11.880 31 H3 U 29 H3 U 29 56.210 8.089 -7.392 32 H5 U 29 H5 U 29 52.409 8.461 -9.153 33 H6 U 29 H6 U 29 53.480 8.314 -11.299 34 1H5* C 30 1H5* C 30 58.461 4.805 -13.280 35 2H5* C 30 2H5* C 30 58.635 3.053 -13.494 36 H4* C 30 H4* C 30 60.364 3.849 -12.038 37 H3* C 30 H3* C 30 58.294 2.138 -10.686 38 H2* C 30 H2* C 30 59.512 2.396 -8.620 39 2HO* C 30 2HO* C 30 61.606 2.775 -8.665 40 H1* C 30 H1* C 30 59.940 5.139 -8.905 41 1H4 C 30 H42 C 30 54.596 4.424 -5.506 42 2H4 C 30 H41 C 30 53.657 4.515 -6.978 43 H5 C 30 H5 C 30 54.670 4.592 -9.169 44 H6 C 30 H6 C 30 56.782 4.619 -10.388 45 1H5* C 31 1H5* C 31 61.896 0.986 -9.357 46 2H5* C 31 2H5* C 31 62.214 -0.731 -9.670 47 H4* C 31 H4* C 31 62.837 -0.396 -7.450 48 H3* C 31 H3* C 31 60.135 -1.706 -7.595 49 H2* C 31 H2* C 31 60.051 -1.707 -5.189 50 2HO* C 31 2HO* C 31 62.547 -0.502 -4.872 51 H1* C 31 H1* C 31 61.067 0.891 -4.884 52 1H4 C 31 H42 C 31 54.734 1.404 -4.683 53 2H4 C 31 H41 C 31 54.686 1.602 -6.422 54 H5 C 31 H5 C 31 56.665 1.391 -7.812 55 H6 C 31 H6 C 31 59.054 0.905 -7.814 56 1H5* C 32 1H5* C 32 62.309 -3.644 -4.508 57 2H5* C 32 2H5* C 32 62.387 -5.348 -4.998 58 H4* C 32 H4* C 32 61.807 -5.019 -2.623 59 H3* C 32 H3* C 32 59.936 -6.520 -4.423 60 H2* C 32 H2* C 32 58.403 -6.801 -2.589 61 2HO* C 32 2HO* C 32 59.014 -6.266 -0.475 62 H1* C 32 H1* C 32 58.584 -4.177 -1.655 63 1H4 C 32 H42 C 32 53.686 -3.853 -5.658 64 2H4 C 32 H41 C 32 54.760 -3.910 -7.038 65 H5 C 32 H5 C 32 57.152 -4.221 -6.831 66 H6 C 32 H6 C 32 58.995 -4.533 -5.262 67 1H5* U 33 1H5* U 33 59.592 -9.019 -0.933 68 2H5* U 33 2H5* U 33 60.625 -10.350 -1.490 69 H4* U 33 H4* U 33 58.792 -11.410 -0.555 70 H3* U 33 H3* U 33 58.561 -11.347 -3.542 71 H2* U 33 H2* U 33 56.398 -12.396 -3.409 72 2HO* U 33 2HO* U 33 55.836 -12.690 -0.901 73 H1* U 33 H1* U 33 55.429 -10.824 -1.326 74 H3 U 33 H3 U 33 53.281 -9.216 -4.972 75 H5 U 33 H5 U 33 57.106 -7.494 -5.150 76 H6 U 33 H6 U 33 57.750 -8.919 -3.322 77 1H5* CM0 34 1H5* CM0 34 57.824 -15.886 -3.765 78 2H5* CM0 34 2H5* CM0 34 59.265 -16.102 -4.778 79 H4* CM0 34 H4* CM0 34 58.078 -15.831 -6.758 80 H3* CM0 34 H3* CM0 34 55.957 -14.442 -5.165 81 H1* CM0 34 H1* CM0 34 55.262 -17.921 -6.717 82 H2* CM0 34 H2* CM0 34 54.259 -15.325 -6.624 83 H6 CM0 34 H6 CM0 34 56.223 -17.562 -3.542 84 H3 CM0 34 H3 CM0 34 51.486 -17.188 -3.991 85 1H7C CM0 34 H7 CM0 34 56.138 -19.602 -0.679 86 2H7C CM0 34 H8 CM0 34 54.870 -20.093 -1.846 87 HA CM0 34 2HO* CM0 34 55.082 -16.696 -8.449 88 1H5* A 35 1H5* A 35 53.487 -11.441 -5.668 89 2H5* A 35 2H5* A 35 53.995 -12.865 -4.742 90 H4* A 35 H4* A 35 52.035 -13.478 -6.807 91 H3* A 35 H3* A 35 51.263 -11.123 -5.868 92 H2* A 35 H2* A 35 51.526 -11.587 -3.506 93 2HO* A 35 2HO* A 35 49.123 -12.739 -3.261 94 H1* A 35 H1* A 35 50.193 -14.305 -3.880 95 H8 A 35 H8 A 35 53.764 -14.304 -2.924 96 1H6 A 35 H62 A 35 51.960 -14.707 2.984 97 2H6 A 35 H61 A 35 53.317 -14.820 1.889 98 H2 A 35 H2 A 35 48.361 -13.734 0.493 99 1H5* C 36 1H5* C 36 47.492 -12.458 -4.172 100 2H5* C 36 2H5* C 36 46.473 -12.181 -5.598 101 H4* C 36 H4* C 36 45.180 -10.752 -4.515 102 H3* C 36 H3* C 36 47.705 -9.333 -3.737 103 H2* C 36 H2* C 36 46.535 -8.231 -1.946 104 2HO* C 36 2HO* C 36 44.112 -9.492 -2.699 105 H1* C 36 H1* C 36 45.168 -10.495 -1.054 106 1H4 C 36 H42 C 36 50.414 -10.605 2.494 107 2H4 C 36 H41 C 36 51.367 -11.163 1.137 108 H5 C 36 H5 C 36 50.459 -11.407 -1.095 109 H6 C 36 H6 C 36 48.460 -11.168 -2.473 110 1H5* A 37 1H5* A 37 44.958 -6.319 -3.070 111 2H5* A 37 2H5* A 37 45.715 -4.846 -3.707 112 H4* A 37 H4* A 37 45.195 -5.042 -1.181 113 H3* A 37 H3* A 37 47.649 -3.855 -2.411 114 H2* A 37 H2* A 37 48.664 -3.592 -0.247 115 2HO* A 37 2HO* A 37 46.587 -2.986 0.756 116 H1* A 37 H1* A 37 48.014 -6.108 0.721 117 H8 A 37 H8 A 37 48.591 -6.777 -2.862 118 1H6 A 37 H62 A 37 54.670 -6.722 -1.690 119 2H6 A 37 H61 A 37 53.439 -7.121 -2.869 120 H2 A 37 H2 A 37 52.545 -5.091 1.905 121 1H5* A 38 1H5* A 38 45.952 -1.157 0.873 122 2H5* A 38 2H5* A 38 46.672 0.449 0.652 123 H4* A 38 H4* A 38 47.062 -0.841 2.859 124 H3* A 38 H3* A 38 49.098 0.752 1.352 125 H2* A 38 H2* A 38 50.823 0.043 2.877 126 2HO* A 38 2HO* A 38 50.102 -1.406 4.666 127 H1* A 38 H1* A 38 50.125 -2.638 2.898 128 H8 A 38 H8 A 38 49.371 -1.289 -0.531 129 1H6 A 38 H62 A 38 55.288 -2.458 -1.934 130 2H6 A 38 H61 A 38 53.725 -2.001 -2.574 131 H2 A 38 H2 A 38 54.775 -2.988 2.489 132 1H5* G 39 1H5* G 39 50.166 1.592 4.790 133 2H5* G 39 2H5* G 39 50.535 3.292 5.142 134 H4* G 39 H4* G 39 52.519 1.966 5.391 135 H3* G 39 H3* G 39 52.568 3.831 3.027 136 H2* G 39 H2* G 39 54.825 3.078 2.594 137 2HO* G 39 2HO* G 39 54.523 1.836 5.144 138 H1* G 39 H1* G 39 54.234 0.370 2.940 139 H8 G 39 H8 G 39 51.214 1.680 1.292 140 H1 G 39 H1 G 39 56.160 1.076 -2.746 141 1H2 G 39 H22 G 39 58.026 0.790 -1.645 142 2H2 G 39 H21 G 39 58.062 0.710 0.109 143 1H5* G 40 1H5* G 40 56.093 4.271 4.863 144 2H5* G 40 2H5* G 40 56.430 5.957 5.299 145 H4* G 40 H4* G 40 58.359 5.153 4.234 146 H3* G 40 H3* G 40 56.779 6.935 2.391 147 H2* G 40 H2* G 40 58.496 6.609 0.731 148 2HO* G 40 2HO* G 40 59.901 5.195 2.782 149 H1* G 40 H1* G 40 58.699 3.854 1.125 150 H8 G 40 H8 G 40 55.094 4.500 1.497 151 H1 G 40 H1 G 40 57.019 4.572 -4.617 152 1H2 G 40 H22 G 40 59.204 4.746 -4.720 153 2H2 G 40 H21 G 40 60.206 4.803 -3.279 154 1H5* A 41 1H5* A 41 60.747 7.836 2.286 155 2H5* A 41 2H5* A 41 61.095 9.568 2.433 156 H4* A 41 H4* A 41 62.342 8.687 0.603 157 H3* A 41 H3* A 41 60.081 10.483 -0.240 158 H2* A 41 H2* A 41 60.759 10.151 -2.532 159 2HO* A 41 2HO* A 41 62.981 8.726 -1.432 160 H1* A 41 H1* A 41 61.093 7.390 -2.299 161 H8 A 41 H8 A 41 58.138 8.142 -0.182 162 1H6 A 41 H62 A 41 54.764 8.263 -5.357 163 2H6 A 41 H61 A 41 54.714 8.351 -3.605 164 H2 A 41 H2 A 41 59.084 8.166 -6.530 165 1H5* G 42 1H5* G 42 63.239 11.458 -2.533 166 2H5* G 42 2H5* G 42 63.635 13.182 -2.378 167 H4* G 42 H4* G 42 63.601 12.708 -4.679 168 H3* G 42 H3* G 42 61.114 14.189 -3.846 169 H2* G 42 H2* G 42 60.422 14.162 -6.156 170 2HO* G 42 2HO* G 42 63.020 13.076 -6.663 171 H1* G 42 H1* G 42 61.123 11.481 -6.586 172 H8 G 42 H8 G 42 59.719 11.527 -3.174 173 H1 G 42 H1 G 42 55.223 11.902 -7.734 174 1H2 G 42 H22 G 42 56.141 12.316 -9.683 175 2H2 G 42 H21 G 42 57.876 12.534 -9.849 176 1H5* G 43 1H5* G 43 62.397 15.854 -7.308 177 2H5* G 43 2H5* G 43 62.576 17.611 -7.143 178 H4* G 43 H4* G 43 61.334 17.205 -9.113 179 H3* G 43 H3* G 43 59.602 18.247 -6.881 180 H2* G 43 H2* G 43 57.735 18.201 -8.405 181 2HO* G 43 2HO* G 43 59.742 17.677 -10.376 182 H1* G 43 H1* G 43 58.404 15.701 -9.522 183 H8 G 43 H8 G 43 59.047 15.354 -5.897 184 H1 G 43 H1 G 43 52.811 15.066 -7.387 185 1H2 G 43 H22 G 43 52.489 15.763 -9.454 186 2H2 G 43 H21 G 43 53.821 16.282 -10.471 187 H3T G 43 H3T G 43 59.984 20.082 -7.788 Start of MODEL 10 1 1H5* C 27 1H5* C 27 44.235 14.289 -8.758 2 2H5* C 27 2H5* C 27 44.058 12.723 -9.571 3 H4* C 27 H4* C 27 45.270 14.045 -11.056 4 H3* C 27 H3* C 27 47.088 12.148 -9.602 5 H2* C 27 H2* C 27 48.952 13.066 -10.821 6 2HO* C 27 2HO* C 27 48.582 13.795 -12.781 7 H1* C 27 H1* C 27 48.206 15.731 -10.491 8 1H4 C 27 H42 C 27 52.137 14.453 -5.647 9 2H4 C 27 H41 C 27 50.756 14.019 -4.662 10 H5 C 27 H5 C 27 48.508 13.874 -5.536 11 H6 C 27 H6 C 27 47.120 14.135 -7.526 12 H5T C 27 H5T C 27 44.954 11.914 -7.866 13 1H5* C 28 1H5* C 28 48.171 11.980 -13.449 14 2H5* C 28 2H5* C 28 48.128 10.337 -14.122 15 H4* C 28 H4* C 28 50.206 11.201 -14.738 16 H3* C 28 H3* C 28 50.537 9.362 -12.376 17 H2* C 28 H2* C 28 52.911 9.775 -12.505 18 2HO* C 28 2HO* C 28 53.747 10.227 -14.404 19 H1* C 28 H1* C 28 52.653 12.534 -12.842 20 1H4 C 28 H42 C 28 53.339 11.640 -6.583 21 2H4 C 28 H41 C 28 51.591 11.579 -6.420 22 H5 C 28 H5 C 28 50.100 11.553 -8.306 23 H6 C 28 H6 C 28 49.958 11.634 -10.739 24 1H5* U 29 1H5* U 29 53.369 8.414 -15.143 25 2H5* U 29 2H5* U 29 53.429 6.676 -15.496 26 H4* U 29 H4* U 29 55.643 7.415 -15.101 27 H3* U 29 H3* U 29 54.586 5.771 -12.807 28 H2* U 29 H2* U 29 56.730 6.036 -11.743 29 2HO* U 29 2HO* U 29 58.472 6.427 -12.896 30 H1* U 29 H1* U 29 56.949 8.762 -12.298 31 H3 U 29 H3 U 29 56.114 8.071 -7.823 32 H5 U 29 H5 U 29 52.376 8.512 -9.701 33 H6 U 29 H6 U 29 53.508 8.319 -11.813 34 1H5* C 30 1H5* C 30 58.429 4.652 -13.621 35 2H5* C 30 2H5* C 30 58.566 2.894 -13.811 36 H4* C 30 H4* C 30 60.284 3.664 -12.331 37 H3* C 30 H3* C 30 58.148 2.022 -11.001 38 H2* C 30 H2* C 30 59.332 2.275 -8.915 39 2HO* C 30 2HO* C 30 61.436 2.599 -8.925 40 H1* C 30 H1* C 30 59.834 5.004 -9.226 41 1H4 C 30 H42 C 30 54.418 4.463 -5.911 42 2H4 C 30 H41 C 30 53.505 4.558 -7.399 43 H5 C 30 H5 C 30 54.557 4.583 -9.575 44 H6 C 30 H6 C 30 56.688 4.549 -10.759 45 1H5* C 31 1H5* C 31 61.669 0.817 -9.590 46 2H5* C 31 2H5* C 31 61.982 -0.905 -9.886 47 H4* C 31 H4* C 31 62.558 -0.577 -7.657 48 H3* C 31 H3* C 31 59.829 -1.826 -7.845 49 H2* C 31 H2* C 31 59.692 -1.801 -5.444 50 2HO* C 31 2HO* C 31 62.347 -1.974 -5.659 51 H1* C 31 H1* C 31 60.779 0.771 -5.136 52 1H4 C 31 H42 C 31 54.457 1.454 -5.037 53 2H4 C 31 H41 C 31 54.442 1.631 -6.778 54 H5 C 31 H5 C 31 56.435 1.358 -8.135 55 H6 C 31 H6 C 31 58.810 0.810 -8.097 56 1H5* C 32 1H5* C 32 61.834 -3.614 -4.848 57 2H5* C 32 2H5* C 32 61.782 -5.386 -4.943 58 H4* C 32 H4* C 32 61.110 -4.307 -2.747 59 H3* C 32 H3* C 32 59.518 -6.436 -4.123 60 H2* C 32 H2* C 32 57.798 -6.267 -2.449 61 2HO* C 32 2HO* C 32 59.556 -5.849 -0.774 62 H1* C 32 H1* C 32 57.694 -3.491 -2.398 63 1H4 C 32 H42 C 32 53.450 -5.104 -6.841 64 2H4 C 32 H41 C 32 54.709 -5.101 -8.054 65 H5 C 32 H5 C 32 57.052 -4.797 -7.515 66 H6 C 32 H6 C 32 58.653 -4.434 -5.710 67 1H5* U 33 1H5* U 33 59.370 -8.272 0.215 68 2H5* U 33 2H5* U 33 60.220 -9.735 -0.320 69 H4* U 33 H4* U 33 58.208 -10.286 0.910 70 H3* U 33 H3* U 33 58.361 -11.099 -1.966 71 H2* U 33 H2* U 33 56.122 -11.976 -1.869 72 2HO* U 33 2HO* U 33 55.359 -11.374 0.617 73 H1* U 33 H1* U 33 55.008 -9.823 -0.511 74 H3 U 33 H3 U 33 53.608 -9.325 -4.799 75 H5 U 33 H5 U 33 57.495 -7.736 -4.740 76 H6 U 33 H6 U 33 57.731 -8.599 -2.506 77 1H5* CM0 34 1H5* CM0 34 57.234 -15.315 -1.024 78 2H5* CM0 34 2H5* CM0 34 58.900 -15.913 -1.153 79 H4* CM0 34 H4* CM0 34 58.610 -16.563 -3.394 80 H3* CM0 34 H3* CM0 34 56.132 -14.874 -3.424 81 H1* CM0 34 H1* CM0 34 55.897 -18.738 -3.521 82 H2* CM0 34 H2* CM0 34 55.066 -16.456 -4.891 83 H6 CM0 34 H6 CM0 34 55.550 -16.904 -0.713 84 H3 CM0 34 H3 CM0 34 51.393 -17.549 -2.968 85 1H7C CM0 34 H7 CM0 34 54.562 -17.331 2.444 86 2H7C CM0 34 H8 CM0 34 54.030 -18.597 1.293 87 HA CM0 34 2HO* CM0 34 57.071 -18.306 -5.044 88 1H5* A 35 1H5* A 35 54.721 -12.148 -5.775 89 2H5* A 35 2H5* A 35 54.682 -12.774 -4.115 90 H4* A 35 H4* A 35 52.851 -13.800 -6.264 91 H3* A 35 H3* A 35 52.573 -11.215 -5.706 92 H2* A 35 H2* A 35 52.557 -11.403 -3.289 93 2HO* A 35 2HO* A 35 50.593 -10.393 -3.799 94 H1* A 35 H1* A 35 50.684 -13.804 -3.526 95 H8 A 35 H8 A 35 54.190 -13.646 -2.003 96 1H6 A 35 H62 A 35 51.359 -14.379 3.455 97 2H6 A 35 H61 A 35 52.904 -14.298 2.640 98 H2 A 35 H2 A 35 48.205 -13.840 0.311 99 1H5* C 36 1H5* C 36 48.717 -12.286 -4.314 100 2H5* C 36 2H5* C 36 47.686 -12.091 -5.744 101 H4* C 36 H4* C 36 46.208 -10.886 -4.625 102 H3* C 36 H3* C 36 48.517 -9.171 -3.756 103 H2* C 36 H2* C 36 47.151 -8.272 -1.992 104 2HO* C 36 2HO* C 36 44.884 -9.751 -2.547 105 H1* C 36 H1* C 36 46.016 -10.729 -1.241 106 1H4 C 36 H42 C 36 50.914 -10.063 2.730 107 2H4 C 36 H41 C 36 52.021 -10.625 1.498 108 H5 C 36 H5 C 36 51.330 -11.089 -0.778 109 H6 C 36 H6 C 36 49.443 -11.107 -2.324 110 1H5* A 37 1H5* A 37 45.289 -6.756 -3.312 111 2H5* A 37 2H5* A 37 45.726 -5.096 -3.759 112 H4* A 37 H4* A 37 45.033 -5.482 -1.367 113 H3* A 37 H3* A 37 47.532 -4.029 -2.138 114 H2* A 37 H2* A 37 48.164 -3.823 0.174 115 2HO* A 37 2HO* A 37 46.660 -4.601 1.807 116 H1* A 37 H1* A 37 47.584 -6.443 0.887 117 H8 A 37 H8 A 37 48.829 -6.693 -2.605 118 1H6 A 37 H62 A 37 54.575 -6.478 -0.307 119 2H6 A 37 H61 A 37 53.611 -6.791 -1.732 120 H2 A 37 H2 A 37 51.720 -5.405 2.980 121 1H5* A 38 1H5* A 38 45.597 -1.105 0.896 122 2H5* A 38 2H5* A 38 46.400 0.404 0.416 123 H4* A 38 H4* A 38 46.776 -0.674 2.786 124 H3* A 38 H3* A 38 48.755 0.816 1.102 125 H2* A 38 H2* A 38 50.509 0.295 2.664 126 2HO* A 38 2HO* A 38 48.560 0.343 4.403 127 H1* A 38 H1* A 38 49.822 -2.381 3.019 128 H8 A 38 H8 A 38 49.197 -1.343 -0.563 129 1H6 A 38 H62 A 38 55.102 -2.860 -1.642 130 2H6 A 38 H61 A 38 53.582 -2.400 -2.376 131 H2 A 38 H2 A 38 54.423 -2.977 2.788 132 1H5* G 39 1H5* G 39 49.810 1.848 4.439 133 2H5* G 39 2H5* G 39 50.209 3.553 4.727 134 H4* G 39 H4* G 39 52.162 2.181 5.027 135 H3* G 39 H3* G 39 52.261 4.000 2.628 136 H2* G 39 H2* G 39 54.504 3.196 2.223 137 2HO* G 39 2HO* G 39 54.174 1.896 4.748 138 H1* G 39 H1* G 39 53.861 0.507 2.613 139 H8 G 39 H8 G 39 50.871 1.834 0.929 140 H1 G 39 H1 G 39 55.828 1.104 -3.078 141 1H2 G 39 H22 G 39 57.682 0.791 -1.961 142 2H2 G 39 H21 G 39 57.708 0.734 -0.207 143 1H5* G 40 1H5* G 40 55.772 4.408 4.491 144 2H5* G 40 2H5* G 40 56.143 6.095 4.902 145 H4* G 40 H4* G 40 58.063 5.229 3.871 146 H3* G 40 H3* G 40 56.543 7.016 1.985 147 H2* G 40 H2* G 40 58.269 6.627 0.349 148 2HO* G 40 2HO* G 40 59.621 5.216 2.438 149 H1* G 40 H1* G 40 58.408 3.874 0.789 150 H8 G 40 H8 G 40 54.812 4.599 1.105 151 H1 G 40 H1 G 40 56.828 4.568 -4.983 152 1H2 G 40 H22 G 40 59.017 4.688 -5.055 153 2H2 G 40 H21 G 40 59.999 4.737 -3.601 154 1H5* A 41 1H5* A 41 60.525 7.830 1.914 155 2H5* A 41 2H5* A 41 60.910 9.555 2.045 156 H4* A 41 H4* A 41 62.159 8.630 0.239 157 H3* A 41 H3* A 41 59.940 10.458 -0.648 158 H2* A 41 H2* A 41 60.640 10.091 -2.930 159 2HO* A 41 2HO* A 41 62.821 8.633 -1.787 160 H1* A 41 H1* A 41 60.917 7.326 -2.664 161 H8 A 41 H8 A 41 57.950 8.156 -0.589 162 1H6 A 41 H62 A 41 54.645 8.312 -5.808 163 2H6 A 41 H61 A 41 54.573 8.413 -4.057 164 H2 A 41 H2 A 41 58.974 8.100 -6.925 165 1H5* G 42 1H5* G 42 63.139 11.375 -2.889 166 2H5* G 42 2H5* G 42 63.564 13.092 -2.744 167 H4* G 42 H4* G 42 63.555 12.603 -5.040 168 H3* G 42 H3* G 42 61.076 14.123 -4.257 169 H2* G 42 H2* G 42 60.423 14.088 -6.578 170 2HO* G 42 2HO* G 42 63.045 13.029 -7.001 171 H1* G 42 H1* G 42 61.096 11.395 -6.977 172 H8 G 42 H8 G 42 59.629 11.482 -3.594 173 H1 G 42 H1 G 42 55.225 11.898 -8.241 174 1H2 G 42 H22 G 42 56.189 12.289 -10.175 175 2H2 G 42 H21 G 42 57.930 12.474 -10.309 176 1H5* G 43 1H5* G 43 62.457 15.751 -7.683 177 2H5* G 43 2H5* G 43 62.661 17.508 -7.538 178 H4* G 43 H4* G 43 61.457 17.095 -9.529 179 H3* G 43 H3* G 43 59.692 18.193 -7.350 180 H2* G 43 H2* G 43 57.859 18.154 -8.914 181 2HO* G 43 2HO* G 43 59.863 17.516 -10.854 182 H1* G 43 H1* G 43 58.519 15.634 -9.993 183 H8 G 43 H8 G 43 59.060 15.303 -6.352 184 H1 G 43 H1 G 43 52.860 15.119 -7.999 185 1H2 G 43 H22 G 43 52.604 15.806 -10.078 186 2H2 G 43 H21 G 43 53.970 16.291 -11.065 187 H3T G 43 H3T G 43 61.446 19.331 -8.484 Start of MODEL 11 1 1H5* C 27 1H5* C 27 44.088 12.860 -6.972 2 2H5* C 27 2H5* C 27 44.046 11.328 -7.865 3 H4* C 27 H4* C 27 45.037 12.854 -9.321 4 H3* C 27 H3* C 27 47.116 11.096 -8.051 5 H2* C 27 H2* C 27 48.810 12.278 -9.291 6 2HO* C 27 2HO* C 27 48.270 13.059 -11.192 7 H1* C 27 H1* C 27 47.795 14.822 -8.779 8 1H4 C 27 H42 C 27 52.064 13.725 -4.183 9 2H4 C 27 H41 C 27 50.786 13.093 -3.167 10 H5 C 27 H5 C 27 48.525 12.754 -3.954 11 H6 C 27 H6 C 27 47.026 12.965 -5.869 12 H5T C 27 H5T C 27 45.039 10.575 -6.178 13 1H5* C 28 1H5* C 28 48.024 11.253 -11.947 14 2H5* C 28 2H5* C 28 48.121 9.654 -12.711 15 H4* C 28 H4* C 28 50.059 10.767 -13.374 16 H3* C 28 H3* C 28 50.705 8.853 -11.138 17 H2* C 28 H2* C 28 53.010 9.532 -11.341 18 2HO* C 28 2HO* C 28 53.705 10.172 -13.243 19 H1* C 28 H1* C 28 52.446 12.259 -11.508 20 1H4 C 28 H42 C 28 53.501 11.112 -5.341 21 2H4 C 28 H41 C 28 51.776 10.859 -5.116 22 H5 C 28 H5 C 28 50.216 10.772 -6.941 23 H6 C 28 H6 C 28 49.958 10.964 -9.357 24 1H5* U 29 1H5* U 29 53.496 8.377 -14.067 25 2H5* U 29 2H5* U 29 53.717 6.678 -14.528 26 H4* U 29 H4* U 29 55.860 7.617 -14.177 27 H3* U 29 H3* U 29 55.076 5.753 -11.943 28 H2* U 29 H2* U 29 57.228 6.179 -10.947 29 2HO* U 29 2HO* U 29 58.870 6.792 -12.145 30 H1* U 29 H1* U 29 57.152 8.938 -11.355 31 H3 U 29 H3 U 29 56.594 7.944 -6.896 32 H5 U 29 H5 U 29 52.750 8.080 -8.594 33 H6 U 29 H6 U 29 53.797 8.116 -10.758 34 1H5* C 30 1H5* C 30 58.977 5.066 -12.950 35 2H5* C 30 2H5* C 30 59.270 3.341 -13.244 36 H4* C 30 H4* C 30 60.964 4.191 -11.781 37 H3* C 30 H3* C 30 59.040 2.289 -10.472 38 H2* C 30 H2* C 30 60.271 2.545 -8.415 39 2HO* C 30 2HO* C 30 62.336 3.062 -8.475 40 H1* C 30 H1* C 30 60.513 5.321 -8.593 41 1H4 C 30 H42 C 30 55.300 4.127 -5.134 42 2H4 C 30 H41 C 30 54.326 4.206 -6.583 43 H5 C 30 H5 C 30 55.288 4.429 -8.790 44 H6 C 30 H6 C 30 57.367 4.649 -10.044 45 1H5* C 31 1H5* C 31 62.714 1.342 -9.240 46 2H5* C 31 2H5* C 31 63.162 -0.330 -9.636 47 H4* C 31 H4* C 31 63.787 -0.061 -7.412 48 H3* C 31 H3* C 31 61.171 -1.535 -7.576 49 H2* C 31 H2* C 31 61.127 -1.644 -5.172 50 2HO* C 31 2HO* C 31 63.373 -0.311 -4.528 51 H1* C 31 H1* C 31 61.996 0.997 -4.768 52 1H4 C 31 H42 C 31 55.649 1.099 -4.413 53 2H4 C 31 H41 C 31 55.549 1.356 -6.143 54 H5 C 31 H5 C 31 57.502 1.330 -7.581 55 H6 C 31 H6 C 31 59.916 0.999 -7.653 56 1H5* C 32 1H5* C 32 62.526 -3.995 -4.885 57 2H5* C 32 2H5* C 32 62.292 -5.650 -5.479 58 H4* C 32 H4* C 32 61.062 -4.976 -3.364 59 H3* C 32 H3* C 32 59.764 -6.367 -5.678 60 H2* C 32 H2* C 32 57.631 -6.250 -4.564 61 2HO* C 32 2HO* C 32 59.051 -5.143 -2.341 62 H1* C 32 H1* C 32 57.855 -3.591 -3.791 63 1H4 C 32 H42 C 32 55.138 -3.146 -9.503 64 2H4 C 32 H41 C 32 56.680 -3.402 -10.290 65 H5 C 32 H5 C 32 58.710 -3.913 -9.072 66 H6 C 32 H6 C 32 59.667 -4.286 -6.860 67 1H5* U 33 1H5* U 33 58.482 -8.767 -1.666 68 2H5* U 33 2H5* U 33 59.190 -10.269 -2.292 69 H4* U 33 H4* U 33 57.073 -10.743 -1.280 70 H3* U 33 H3* U 33 57.194 -11.080 -4.257 71 H2* U 33 H2* U 33 54.865 -11.698 -4.279 72 2HO* U 33 2HO* U 33 54.709 -12.942 -2.423 73 H1* U 33 H1* U 33 54.013 -9.649 -2.605 74 H3 U 33 H3 U 33 52.750 -8.392 -6.786 75 H5 U 33 H5 U 33 56.782 -7.254 -6.476 76 H6 U 33 H6 U 33 56.881 -8.455 -4.391 77 1H5* CM0 34 1H5* CM0 34 56.724 -16.055 -4.545 78 2H5* CM0 34 2H5* CM0 34 58.024 -15.667 -5.688 79 H4* CM0 34 H4* CM0 34 56.658 -15.693 -7.439 80 H3* CM0 34 H3* CM0 34 54.748 -14.034 -5.820 81 H1* CM0 34 H1* CM0 34 53.698 -17.412 -7.396 82 H2* CM0 34 H2* CM0 34 52.957 -14.715 -7.277 83 H6 CM0 34 H6 CM0 34 54.574 -16.731 -4.122 84 H3 CM0 34 H3 CM0 34 49.864 -16.743 -4.888 85 1H7C CM0 34 H7 CM0 34 54.539 -18.593 -2.282 86 2H7C CM0 34 H8 CM0 34 53.001 -19.047 -1.482 87 HA CM0 34 2HO* CM0 34 54.632 -16.291 -8.882 88 1H5* A 35 1H5* A 35 52.616 -13.319 -9.253 89 2H5* A 35 2H5* A 35 52.412 -11.561 -9.136 90 H4* A 35 H4* A 35 50.370 -13.144 -8.895 91 H3* A 35 H3* A 35 50.666 -10.529 -8.134 92 H2* A 35 H2* A 35 51.185 -10.936 -5.819 93 2HO* A 35 2HO* A 35 49.236 -9.869 -5.614 94 H1* A 35 H1* A 35 49.243 -13.307 -5.903 95 H8 A 35 H8 A 35 52.949 -12.895 -4.871 96 1H6 A 35 H62 A 35 51.094 -14.985 0.655 97 2H6 A 35 H61 A 35 52.472 -14.490 -0.305 98 H2 A 35 H2 A 35 47.475 -14.560 -1.959 99 1H5* C 36 1H5* C 36 47.138 -11.558 -5.977 100 2H5* C 36 2H5* C 36 45.823 -11.081 -7.068 101 H4* C 36 H4* C 36 44.767 -9.967 -5.474 102 H3* C 36 H3* C 36 47.387 -8.616 -4.894 103 H2* C 36 H2* C 36 46.551 -7.970 -2.733 104 2HO* C 36 2HO* C 36 44.066 -8.768 -3.869 105 H1* C 36 H1* C 36 45.340 -10.435 -2.152 106 1H4 C 36 H42 C 36 51.028 -10.972 0.584 107 2H4 C 36 H41 C 36 51.786 -11.253 -0.967 108 H5 C 36 H5 C 36 50.579 -11.126 -3.063 109 H6 C 36 H6 C 36 48.406 -10.708 -4.092 110 1H5* A 37 1H5* A 37 44.573 -5.470 -3.705 111 2H5* A 37 2H5* A 37 45.541 -3.994 -3.882 112 H4* A 37 H4* A 37 44.797 -4.753 -1.534 113 H3* A 37 H3* A 37 47.484 -3.675 -2.273 114 H2* A 37 H2* A 37 48.322 -4.125 -0.061 115 2HO* A 37 2HO* A 37 45.848 -5.188 0.773 116 H1* A 37 H1* A 37 47.309 -6.690 0.136 117 H8 A 37 H8 A 37 48.064 -6.356 -3.479 118 1H6 A 37 H62 A 37 53.977 -7.598 -2.126 119 2H6 A 37 H61 A 37 52.804 -7.427 -3.414 120 H2 A 37 H2 A 37 51.802 -6.820 1.718 121 1H5* A 38 1H5* A 38 46.509 -1.719 1.633 122 2H5* A 38 2H5* A 38 47.255 -0.115 1.482 123 H4* A 38 H4* A 38 47.991 -1.687 3.391 124 H3* A 38 H3* A 38 49.821 -0.016 1.703 125 H2* A 38 H2* A 38 51.724 -0.959 2.844 126 2HO* A 38 2HO* A 38 49.721 -2.008 4.584 127 H1* A 38 H1* A 38 50.852 -3.595 2.720 128 H8 A 38 H8 A 38 49.629 -2.211 -0.471 129 1H6 A 38 H62 A 38 55.363 -2.830 -2.723 130 2H6 A 38 H61 A 38 53.690 -2.519 -3.125 131 H2 A 38 H2 A 38 55.543 -3.410 1.719 132 1H5* G 39 1H5* G 39 51.342 0.637 5.199 133 2H5* G 39 2H5* G 39 51.614 2.340 5.618 134 H4* G 39 H4* G 39 53.684 1.136 5.742 135 H3* G 39 H3* G 39 53.533 3.103 3.468 136 H2* G 39 H2* G 39 55.816 2.518 2.927 137 2HO* G 39 2HO* G 39 55.688 1.150 5.427 138 H1* G 39 H1* G 39 55.415 -0.237 3.179 139 H8 G 39 H8 G 39 52.272 0.946 1.670 140 H1 G 39 H1 G 39 57.124 0.797 -2.523 141 1H2 G 39 H22 G 39 59.035 0.589 -1.485 142 2H2 G 39 H21 G 39 59.126 0.452 0.263 143 1H5* G 40 1H5* G 40 57.073 3.693 5.206 144 2H5* G 40 2H5* G 40 57.324 5.376 5.709 145 H4* G 40 H4* G 40 59.257 4.752 4.541 146 H3* G 40 H3* G 40 57.496 6.489 2.822 147 H2* G 40 H2* G 40 59.180 6.346 1.103 148 2HO* G 40 2HO* G 40 60.738 4.964 3.063 149 H1* G 40 H1* G 40 59.585 3.597 1.388 150 H8 G 40 H8 G 40 55.953 3.985 1.863 151 H1 G 40 H1 G 40 57.729 4.410 -4.284 152 1H2 G 40 H22 G 40 59.895 4.725 -4.424 153 2H2 G 40 H21 G 40 60.924 4.793 -3.005 154 1H5* A 41 1H5* A 41 61.376 7.680 2.653 155 2H5* A 41 2H5* A 41 61.610 9.424 2.874 156 H4* A 41 H4* A 41 62.863 8.732 0.976 157 H3* A 41 H3* A 41 60.441 10.370 0.265 158 H2* A 41 H2* A 41 61.081 10.188 -2.056 159 2HO* A 41 2HO* A 41 63.463 9.004 -1.004 160 H1* A 41 H1* A 41 61.644 7.455 -1.948 161 H8 A 41 H8 A 41 58.692 7.885 0.268 162 1H6 A 41 H62 A 41 55.190 7.932 -4.820 163 2H6 A 41 H61 A 41 55.176 7.956 -3.065 164 H2 A 41 H2 A 41 59.470 8.223 -6.093 165 1H5* G 42 1H5* G 42 63.425 11.705 -2.048 166 2H5* G 42 2H5* G 42 63.688 13.446 -1.829 167 H4* G 42 H4* G 42 63.619 13.076 -4.145 168 H3* G 42 H3* G 42 61.034 14.290 -3.183 169 H2* G 42 H2* G 42 60.289 14.306 -5.477 170 2HO* G 42 2HO* G 42 62.954 13.473 -6.096 171 H1* G 42 H1* G 42 61.214 11.720 -6.047 172 H8 G 42 H8 G 42 59.888 11.485 -2.612 173 H1 G 42 H1 G 42 55.276 11.676 -7.066 174 1H2 G 42 H22 G 42 56.111 12.257 -9.008 175 2H2 G 42 H21 G 42 57.818 12.629 -9.198 176 1H5* G 43 1H5* G 43 62.079 16.230 -6.573 177 2H5* G 43 2H5* G 43 62.108 17.987 -6.331 178 H4* G 43 H4* G 43 60.859 17.562 -8.291 179 H3* G 43 H3* G 43 59.091 18.336 -5.978 180 H2* G 43 H2* G 43 57.203 18.192 -7.467 181 2HO* G 43 2HO* G 43 59.170 17.876 -9.522 182 H1* G 43 H1* G 43 58.072 15.821 -8.721 183 H8 G 43 H8 G 43 58.815 15.353 -5.130 184 H1 G 43 H1 G 43 52.598 14.591 -6.531 185 1H2 G 43 H22 G 43 52.176 15.353 -8.556 186 2H2 G 43 H21 G 43 53.436 16.034 -9.567 187 H3T G 43 H3T G 43 59.023 20.050 -7.858
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