NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2978 | 1d0u | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 -13.402 -5.334 -9.617 2 2H5* G 1 2H5* G 1 -14.954 -5.084 -10.455 3 H4* G 1 H4* G 1 -16.119 -6.094 -8.569 4 H3* G 1 H3* G 1 -13.412 -5.857 -7.223 5 H2* G 1 1H2* G 1 -13.857 -7.801 -5.978 6 2HO* G 1 2HO* G 1 -16.535 -7.785 -6.966 7 H1* G 1 H1* G 1 -14.980 -9.249 -8.025 8 H8 G 1 H8 G 1 -12.227 -7.830 -9.866 9 H1 G 1 H1 G 1 -9.930 -11.570 -5.243 10 1H2 G 1 1H2 G 1 -13.152 -11.402 -3.924 11 2H2 G 1 2H2 G 1 -11.524 -12.022 -3.768 12 H5T G 1 H5T G 1 -14.436 -3.152 -9.585 13 1H5* G 2 1H5* G 2 -15.644 -7.068 -4.060 14 2H5* G 2 2H5* G 2 -15.831 -5.640 -3.008 15 H4* G 2 H4* G 2 -15.326 -7.465 -1.562 16 H3* G 2 H3* G 2 -12.821 -5.909 -2.284 17 H2* G 2 1H2* G 2 -11.576 -7.290 -0.829 18 2HO* G 2 2HO* G 2 -12.714 -8.886 0.485 19 H1* G 2 H1* G 2 -12.712 -9.648 -1.626 20 H8 G 2 H8 G 2 -12.333 -7.457 -4.654 21 H1 G 2 H1 G 2 -6.808 -10.083 -2.873 22 1H2 G 2 1H2 G 2 -8.522 -10.992 0.022 23 2H2 G 2 2H2 G 2 -7.019 -11.015 -0.871 24 1H5* G 3 1H5* G 3 -12.769 -5.786 1.903 25 2H5* G 3 2H5* G 3 -12.030 -4.289 2.527 26 H4* G 3 H4* G 3 -10.826 -6.440 3.113 27 H3* G 3 H3* G 3 -9.446 -4.347 1.392 28 H2* G 3 1H2* G 3 -7.468 -5.617 1.556 29 2HO* G 3 2HO* G 3 -7.431 -6.170 3.715 30 H1* G 3 H1* G 3 -8.684 -8.075 1.241 31 H8 G 3 H8 G 3 -10.276 -5.847 -1.267 32 H1 G 3 H1 G 3 -4.298 -7.312 -2.919 33 1H2 G 3 1H2 G 3 -4.013 -8.491 0.350 34 2H2 G 3 2H2 G 3 -3.240 -8.235 -1.199 35 1H5* A 4 1H5* A 4 -6.975 -4.149 5.108 36 2H5* A 4 2H5* A 4 -6.115 -2.596 5.090 37 H4* A 4 H4* A 4 -4.692 -4.734 4.846 38 H3* A 4 H3* A 4 -4.614 -2.397 2.911 39 H2* A 4 1H2* A 4 -2.865 -3.447 1.740 40 2HO* A 4 2HO* A 4 -1.453 -4.283 3.124 41 H1* A 4 H1* A 4 -3.904 -5.992 1.834 42 H8 A 4 H8 A 4 -6.766 -3.709 1.116 43 1H6 A 4 1H6 A 4 -4.848 -3.383 -4.723 44 2H6 A 4 2H6 A 4 -6.153 -3.013 -3.619 45 H2 A 4 H2 A 4 -1.621 -5.366 -2.307 46 1H5* U 5 1H5* U 5 -0.508 -2.757 4.150 47 2H5* U 5 2H5* U 5 0.234 -1.146 4.238 48 H4* U 5 H4* U 5 1.367 -2.691 2.609 49 H3* U 5 H3* U 5 0.041 -0.129 1.669 50 H2* U 5 1H2* U 5 0.807 -0.534 -0.510 51 2HO* U 5 2HO* U 5 2.265 -2.812 -0.134 52 H1* U 5 H1* U 5 0.379 -3.265 -0.519 53 H3 U 5 H3 U 5 -2.437 -1.375 -3.576 54 H5 U 5 H5 U 5 -4.302 -0.743 0.147 55 H6 U 5 H6 U 5 -2.287 -1.556 1.223 56 1H5* C 6 1H5* C 6 4.158 -0.291 -0.092 57 2H5* C 6 2H5* C 6 4.836 1.309 0.277 58 H4* C 6 H4* C 6 5.196 0.808 -2.085 59 H3* C 6 H3* C 6 3.093 2.893 -1.431 60 H2* C 6 1H2* C 6 2.742 3.282 -3.716 61 2HO* C 6 2HO* C 6 5.214 3.051 -4.036 62 H1* C 6 H1* C 6 2.893 0.652 -4.534 63 1H4 C 6 1H4 C 6 -3.203 1.816 -2.194 64 2H4 C 6 2H4 C 6 -3.332 1.836 -3.940 65 H5 C 6 H5 C 6 -1.110 1.590 -1.028 66 H6 C 6 H6 C 6 1.310 1.318 -1.280 67 1H5* A 7 1H5* A 7 6.013 7.742 -2.415 68 2H5* A 7 2H5* A 7 4.402 7.167 -1.942 69 H4* A 7 H4* A 7 5.788 6.880 -4.628 70 H3* A 7 H3* A 7 3.230 8.136 -3.583 71 H2* A 7 1H2* A 7 2.192 7.743 -5.649 72 2HO* A 7 2HO* A 7 3.493 8.250 -7.267 73 H1* A 7 H1* A 7 3.290 5.244 -6.105 74 H8 A 7 H8 A 7 2.162 5.604 -2.516 75 1H6 A 7 1H6 A 7 -3.506 4.136 -4.413 76 2H6 A 7 2H6 A 7 -2.485 4.409 -3.019 77 H2 A 7 H2 A 7 -0.948 4.792 -8.049 78 1H5* C 8 1H5* C 8 1.688 11.977 -6.249 79 2H5* C 8 2H5* C 8 1.317 10.378 -5.573 80 H4* C 8 H4* C 8 2.105 10.688 -8.480 81 H3* C 8 H3* C 8 -0.594 11.157 -7.170 82 H2* C 8 1H2* C 8 -1.638 10.134 -9.023 83 2HO* C 8 2HO* C 8 -0.185 9.436 -10.832 84 H1* C 8 H1* C 8 0.108 8.036 -9.240 85 1H4 C 8 1H4 C 8 -3.922 6.636 -4.182 86 2H4 C 8 2H4 C 8 -4.889 6.301 -5.601 87 H5 C 8 H5 C 8 -1.743 7.648 -4.280 88 H6 C 8 H6 C 8 -0.017 8.567 -5.754 89 1H5* C 9 1H5* C 9 -1.366 12.709 -11.062 90 2H5* C 9 2H5* C 9 -2.654 13.925 -10.933 91 H4* C 9 H4* C 9 -3.217 11.737 -12.180 92 H3* C 9 H3* C 9 -4.841 12.857 -9.871 93 H2* C 9 1H2* C 9 -6.394 11.120 -10.141 94 2HO* C 9 2HO* C 9 -5.130 10.647 -12.659 95 H1* C 9 H1* C 9 -4.570 9.112 -10.679 96 1H4 C 9 1H4 C 9 -4.977 9.679 -4.105 97 2H4 C 9 2H4 C 9 -6.323 8.653 -4.549 98 H5 C 9 H5 C 9 -3.574 10.787 -5.720 99 H6 C 9 H6 C 9 -3.149 11.139 -8.106 100 1H5* A 10 1H5* A 10 -8.145 12.199 -12.261 101 2H5* A 10 2H5* A 10 -9.366 13.338 -11.658 102 H4* A 10 H4* A 10 -9.588 10.803 -11.035 103 H3* A 10 H3* A 10 -9.793 13.164 -9.138 104 H2* A 10 1H2* A 10 -10.251 11.699 -7.352 105 2HO* A 10 2HO* A 10 -10.494 9.578 -9.255 106 H1* A 10 H1* A 10 -8.409 9.774 -8.021 107 H8 A 10 H8 A 10 -6.756 13.063 -8.629 108 1H6 A 10 1H6 A 10 -5.746 13.480 -2.569 109 2H6 A 10 2H6 A 10 -5.366 14.158 -4.136 110 H2 A 10 H2 A 10 -8.596 10.077 -3.280 111 1H5* U 11 1H5* U 11 -12.587 10.724 -7.907 112 2H5* U 11 2H5* U 11 -14.208 11.327 -8.305 113 H4* U 11 H4* U 11 -14.174 10.385 -6.030 114 H3* U 11 H3* U 11 -15.299 12.775 -6.683 115 H2* U 11 1H2* U 11 -13.484 14.171 -6.159 116 2HO* U 11 2HO* U 11 -14.006 15.204 -4.269 117 H1* U 11 H1* U 11 -12.863 12.682 -3.618 118 H3 U 11 H3 U 11 -9.039 14.950 -3.086 119 H5 U 11 H5 U 11 -9.360 14.692 -7.278 120 H6 U 11 H6 U 11 -11.448 13.497 -6.980 121 1H5* U 12 1H5* U 12 -18.422 10.700 -3.050 122 2H5* U 12 2H5* U 12 -18.438 11.644 -1.550 123 H4* U 12 H4* U 12 -16.692 9.490 -2.324 124 H3* U 12 H3* U 12 -17.843 10.417 -0.040 125 H2* U 12 1H2* U 12 -16.590 12.336 0.266 126 2HO* U 12 2HO* U 12 -15.138 10.200 1.452 127 H1* U 12 H1* U 12 -13.993 11.070 -0.559 128 H3 U 12 H3 U 12 -12.116 15.131 -0.348 129 H5 U 12 H5 U 12 -15.817 15.924 -2.199 130 H6 U 12 H6 U 12 -16.373 13.577 -1.948 131 1H5* A 13 1H5* A 13 -18.182 8.036 -1.696 132 2H5* A 13 2H5* A 13 -18.953 6.439 -1.633 133 H4* A 13 H4* A 13 -17.643 6.189 -3.531 134 H3* A 13 H3* A 13 -16.669 4.886 -1.252 135 H2* A 13 1H2* A 13 -14.752 6.138 -0.922 136 2HO* A 13 2HO* A 13 -14.089 4.036 -1.817 137 H1* A 13 H1* A 13 -14.403 6.721 -3.860 138 H8 A 13 H8 A 13 -14.746 8.388 -0.389 139 1H6 A 13 1H6 A 13 -9.829 11.726 -1.979 140 2H6 A 13 2H6 A 13 -10.958 11.364 -0.694 141 H2 A 13 H2 A 13 -10.963 9.136 -5.466 142 1H5* G 14 1H5* G 14 -14.176 1.438 -5.205 143 2H5* G 14 2H5* G 14 -13.918 2.556 -3.841 144 H4* G 14 H4* G 14 -15.515 3.489 -6.226 145 H3* G 14 H3* G 14 -12.544 2.879 -6.200 146 H2* G 14 1H2* G 14 -12.105 4.836 -7.384 147 2HO* G 14 2HO* G 14 -13.747 4.623 -8.970 148 H1* G 14 H1* G 14 -13.916 6.464 -6.105 149 H8 G 14 H8 G 14 -12.617 5.137 -3.187 150 H1 G 14 H1 G 14 -7.747 7.714 -6.384 151 1H2 G 14 1H2 G 14 -9.893 7.555 -9.129 152 2H2 G 14 2H2 G 14 -8.317 7.995 -8.513 153 1H5* G 15 1H5* G 15 -13.296 2.920 -10.433 154 2H5* G 15 2H5* G 15 -12.822 1.366 -11.169 155 H4* G 15 H4* G 15 -11.797 3.196 -12.400 156 H3* G 15 H3* G 15 -9.933 1.708 -10.526 157 H2* G 15 1H2* G 15 -8.132 3.022 -11.279 158 2HO* G 15 2HO* G 15 -9.752 4.279 -13.242 159 H1* G 15 H1* G 15 -9.470 5.417 -11.304 160 H8 G 15 H8 G 15 -10.623 3.647 -8.241 161 H1 G 15 H1 G 15 -4.671 5.827 -7.588 162 1H2 G 15 1H2 G 15 -4.815 6.351 -11.031 163 2H2 G 15 2H2 G 15 -3.876 6.463 -9.560 164 1H5* G 16 1H5* G 16 -7.636 2.336 -13.646 165 2H5* G 16 2H5* G 16 -7.310 0.793 -14.479 166 H4* G 16 H4* G 16 -5.231 1.966 -14.366 167 H3* G 16 H3* G 16 -5.500 -0.032 -12.093 168 H2* G 16 1H2* G 16 -3.307 0.488 -11.428 169 2HO* G 16 2HO* G 16 -2.238 0.487 -13.396 170 H1* G 16 H1* G 16 -3.493 3.212 -11.859 171 H8 G 16 H8 G 16 -6.644 2.340 -10.157 172 H1 G 16 H1 G 16 -1.708 1.919 -6.148 173 1H2 G 16 1H2 G 16 0.247 2.078 -9.032 174 2H2 G 16 2H2 G 16 0.197 1.946 -7.289 175 1H5* A 17 1H5* A 17 -2.173 -1.305 -14.260 176 2H5* A 17 2H5* A 17 -1.823 -3.045 -14.222 177 H4* A 17 H4* A 17 -0.042 -1.684 -13.127 178 H3* A 17 H3* A 17 -1.701 -3.605 -11.462 179 H2* A 17 1H2* A 17 -0.360 -3.123 -9.599 180 2HO* A 17 2HO* A 17 1.638 -2.107 -9.761 181 H1* A 17 H1* A 17 -0.108 -0.411 -10.069 182 H8 A 17 H8 A 17 -3.684 -1.362 -10.639 183 1H6 A 17 1H6 A 17 -4.490 -1.233 -4.537 184 2H6 A 17 2H6 A 17 -5.293 -1.316 -6.089 185 H2 A 17 H2 A 17 -0.080 -1.012 -5.363 186 1H5* U 18 1H5* U 18 2.275 -4.419 -10.806 187 2H5* U 18 2H5* U 18 2.708 -6.141 -10.832 188 H4* U 18 H4* U 18 3.536 -5.187 -8.766 189 H3* U 18 H3* U 18 1.056 -6.914 -8.511 190 H2* U 18 1H2* U 18 1.102 -6.651 -6.182 191 2HO* U 18 2HO* U 18 3.774 -5.749 -6.592 192 H1* U 18 H1* U 18 1.803 -3.984 -6.156 193 H3 U 18 H3 U 18 -2.434 -3.943 -4.586 194 H5 U 18 H5 U 18 -2.890 -4.966 -8.648 195 H6 U 18 H6 U 18 -0.475 -5.087 -8.822 196 1H5* C 19 1H5* C 19 3.832 -8.600 -5.826 197 2H5* C 19 2H5* C 19 3.821 -10.374 -5.864 198 H4* C 19 H4* C 19 3.402 -9.607 -3.583 199 H3* C 19 H3* C 19 1.030 -10.773 -5.075 200 H2* C 19 1H2* C 19 -0.267 -10.579 -3.127 201 2HO* C 19 2HO* C 19 2.037 -9.838 -1.627 202 H1* C 19 H1* C 19 0.698 -8.116 -2.342 203 1H4 C 19 1H4 C 19 -4.030 -7.237 -6.910 204 2H4 C 19 2H4 C 19 -4.807 -7.015 -5.358 205 H5 C 19 H5 C 19 -1.733 -7.915 -7.149 206 H6 C 19 H6 C 19 0.313 -8.538 -5.955 207 1H5* U 20 1H5* U 20 1.125 -12.821 -1.496 208 2H5* U 20 2H5* U 20 0.542 -14.492 -1.635 209 H4* U 20 H4* U 20 -0.879 -13.102 -0.125 210 H3* U 20 H3* U 20 -2.042 -14.171 -2.718 211 H2* U 20 1H2* U 20 -4.137 -13.306 -2.117 212 2HO* U 20 2HO* U 20 -4.760 -13.158 -0.096 213 H1* U 20 H1* U 20 -3.217 -10.935 -1.032 214 H3 U 20 H3 U 20 -5.567 -9.733 -4.717 215 H5 U 20 H5 U 20 -2.032 -11.418 -6.269 216 H6 U 20 H6 U 20 -1.428 -12.072 -4.014 217 1H5* C 21 1H5* C 21 -4.763 -15.138 0.559 218 2H5* C 21 2H5* C 21 -5.203 -16.849 0.384 219 H4* C 21 H4* C 21 -7.237 -15.563 0.694 220 H3* C 21 H3* C 21 -6.726 -16.544 -2.134 221 H2* C 21 1H2* C 21 -8.799 -15.669 -2.803 222 2HO* C 21 2HO* C 21 -10.355 -16.034 -1.408 223 H1* C 21 H1* C 21 -8.678 -13.344 -1.305 224 1H4 C 21 1H4 C 21 -5.397 -12.494 -7.011 225 2H4 C 21 2H4 C 21 -6.927 -11.663 -7.189 226 H5 C 21 H5 C 21 -4.815 -13.784 -5.063 227 H6 C 21 H6 C 21 -5.576 -14.568 -2.871 228 H3T C 21 H3T C 21 -8.270 -18.078 -1.452 Start of MODEL 2 1 1H5* G 1 1H5* G 1 -13.946 -6.823 -10.514 2 2H5* G 1 2H5* G 1 -14.814 -5.681 -9.455 3 H4* G 1 H4* G 1 -15.615 -7.730 -8.689 4 H3* G 1 H3* G 1 -13.021 -7.174 -7.215 5 H2* G 1 1H2* G 1 -13.240 -9.207 -6.055 6 2HO* G 1 2HO* G 1 -15.914 -9.273 -7.069 7 H1* G 1 H1* G 1 -14.074 -10.717 -8.196 8 H8 G 1 H8 G 1 -11.484 -8.932 -9.913 9 H1 G 1 H1 G 1 -8.847 -12.320 -5.202 10 1H2 G 1 1H2 G 1 -12.105 -12.599 -3.992 11 2H2 G 1 2H2 G 1 -10.413 -12.989 -3.778 12 H5T G 1 H5T G 1 -12.930 -5.005 -8.907 13 1H5* G 2 1H5* G 2 -15.353 -8.479 -4.001 14 2H5* G 2 2H5* G 2 -15.563 -7.059 -2.942 15 H4* G 2 H4* G 2 -14.954 -8.946 -1.567 16 H3* G 2 H3* G 2 -12.634 -7.083 -2.169 17 H2* G 2 1H2* G 2 -11.252 -8.377 -0.762 18 2HO* G 2 2HO* G 2 -13.520 -9.920 0.023 19 H1* G 2 H1* G 2 -12.112 -10.819 -1.657 20 H8 G 2 H8 G 2 -11.939 -8.543 -4.628 21 H1 G 2 H1 G 2 -6.162 -10.475 -2.758 22 1H2 G 2 1H2 G 2 -7.809 -11.637 0.085 23 2H2 G 2 2H2 G 2 -6.295 -11.457 -0.774 24 1H5* G 3 1H5* G 3 -12.556 -7.355 1.932 25 2H5* G 3 2H5* G 3 -12.284 -5.789 2.742 26 H4* G 3 H4* G 3 -10.593 -7.482 3.371 27 H3* G 3 H3* G 3 -9.655 -5.208 1.584 28 H2* G 3 1H2* G 3 -7.453 -6.005 1.819 29 2HO* G 3 2HO* G 3 -7.507 -6.414 4.075 30 H1* G 3 H1* G 3 -8.088 -8.685 1.613 31 H8 G 3 H8 G 3 -10.047 -6.788 -0.963 32 H1 G 3 H1 G 3 -3.934 -7.483 -2.621 33 1H2 G 3 1H2 G 3 -3.486 -8.554 0.667 34 2H2 G 3 2H2 G 3 -2.759 -8.228 -0.890 35 1H5* A 4 1H5* A 4 -7.099 -4.660 5.200 36 2H5* A 4 2H5* A 4 -6.466 -3.004 5.106 37 H4* A 4 H4* A 4 -4.806 -5.003 4.828 38 H3* A 4 H3* A 4 -5.012 -2.590 2.996 39 H2* A 4 1H2* A 4 -3.183 -3.388 1.761 40 2HO* A 4 2HO* A 4 -2.186 -4.122 3.964 41 H1* A 4 H1* A 4 -3.885 -6.060 1.821 42 H8 A 4 H8 A 4 -6.988 -4.126 1.080 43 1H6 A 4 1H6 A 4 -5.062 -3.565 -4.739 44 2H6 A 4 2H6 A 4 -6.414 -3.355 -3.649 45 H2 A 4 H2 A 4 -1.646 -5.151 -2.289 46 1H5* U 5 1H5* U 5 -0.764 -2.827 4.272 47 2H5* U 5 2H5* U 5 -0.172 -1.161 4.446 48 H4* U 5 H4* U 5 1.207 -2.564 2.878 49 H3* U 5 H3* U 5 -0.262 -0.099 1.892 50 H2* U 5 1H2* U 5 0.680 -0.382 -0.237 51 2HO* U 5 2HO* U 5 2.465 -2.241 0.999 52 H1* U 5 H1* U 5 0.481 -3.134 -0.337 53 H3 U 5 H3 U 5 -2.346 -1.533 -3.520 54 H5 U 5 H5 U 5 -4.390 -0.910 0.111 55 H6 U 5 H6 U 5 -2.375 -1.574 1.286 56 1H5* C 6 1H5* C 6 3.880 0.069 0.308 57 2H5* C 6 2H5* C 6 4.453 1.677 0.800 58 H4* C 6 H4* C 6 4.963 1.381 -1.552 59 H3* C 6 H3* C 6 2.626 3.211 -0.927 60 H2* C 6 1H2* C 6 2.369 3.687 -3.212 61 2HO* C 6 2HO* C 6 3.958 3.250 -4.735 62 H1* C 6 H1* C 6 2.840 1.131 -4.146 63 1H4 C 6 1H4 C 6 -3.476 1.593 -2.164 64 2H4 C 6 2H4 C 6 -3.501 1.606 -3.913 65 H5 C 6 H5 C 6 -1.445 1.567 -0.873 66 H6 C 6 H6 C 6 1.002 1.554 -0.976 67 1H5* A 7 1H5* A 7 5.639 5.030 -3.259 68 2H5* A 7 2H5* A 7 5.961 6.759 -3.024 69 H4* A 7 H4* A 7 5.436 6.018 -5.419 70 H3* A 7 H3* A 7 4.927 8.393 -4.185 71 H2* A 7 1H2* A 7 2.771 7.967 -3.419 72 2HO* A 7 2HO* A 7 1.400 9.111 -4.703 73 H1* A 7 H1* A 7 1.927 6.576 -5.943 74 H8 A 7 H8 A 7 2.092 6.439 -2.079 75 1H6 A 7 1H6 A 7 -3.527 3.943 -2.378 76 2H6 A 7 2H6 A 7 -2.278 4.541 -1.309 77 H2 A 7 H2 A 7 -2.004 4.473 -6.575 78 1H5* C 8 1H5* C 8 2.605 11.441 -7.691 79 2H5* C 8 2H5* C 8 2.380 9.915 -6.811 80 H4* C 8 H4* C 8 2.603 9.791 -9.802 81 H3* C 8 H3* C 8 0.232 10.870 -8.235 82 H2* C 8 1H2* C 8 -1.203 9.797 -9.767 83 2HO* C 8 2HO* C 8 -0.358 10.171 -11.748 84 H1* C 8 H1* C 8 0.237 7.455 -9.928 85 1H4 C 8 1H4 C 8 -3.403 7.158 -4.412 86 2H4 C 8 2H4 C 8 -4.500 6.691 -5.693 87 H5 C 8 H5 C 8 -1.174 7.971 -4.819 88 H6 C 8 H6 C 8 0.491 8.509 -6.534 89 1H5* C 9 1H5* C 9 -0.792 12.155 -12.321 90 2H5* C 9 2H5* C 9 -1.884 13.543 -12.143 91 H4* C 9 H4* C 9 -2.858 11.386 -13.185 92 H3* C 9 H3* C 9 -4.070 12.862 -10.824 93 H2* C 9 1H2* C 9 -5.869 11.358 -10.825 94 2HO* C 9 2HO* C 9 -4.962 10.653 -13.434 95 H1* C 9 H1* C 9 -4.406 9.077 -11.377 96 1H4 C 9 1H4 C 9 -4.082 10.136 -4.855 97 2H4 C 9 2H4 C 9 -5.535 9.192 -5.094 98 H5 C 9 H5 C 9 -2.758 11.004 -6.672 99 H6 C 9 H6 C 9 -2.538 11.148 -9.106 100 1H5* A 10 1H5* A 10 -7.534 12.399 -13.012 101 2H5* A 10 2H5* A 10 -8.639 13.701 -12.524 102 H4* A 10 H4* A 10 -9.197 11.318 -11.699 103 H3* A 10 H3* A 10 -8.926 13.754 -9.909 104 H2* A 10 1H2* A 10 -9.520 12.458 -8.037 105 2HO* A 10 2HO* A 10 -10.174 10.305 -9.801 106 H1* A 10 H1* A 10 -8.042 10.236 -8.692 107 H8 A 10 H8 A 10 -6.008 13.285 -9.513 108 1H6 A 10 1H6 A 10 -4.524 13.639 -3.548 109 2H6 A 10 2H6 A 10 -4.183 14.253 -5.150 110 H2 A 10 H2 A 10 -7.792 10.584 -3.997 111 1H5* U 11 1H5* U 11 -12.046 11.937 -8.517 112 2H5* U 11 2H5* U 11 -13.566 12.830 -8.727 113 H4* U 11 H4* U 11 -13.383 11.882 -6.450 114 H3* U 11 H3* U 11 -14.224 14.406 -7.027 115 H2* U 11 1H2* U 11 -12.170 15.520 -6.764 116 2HO* U 11 2HO* U 11 -13.552 16.515 -5.270 117 H1* U 11 H1* U 11 -11.477 13.978 -4.272 118 H3 U 11 H3 U 11 -7.333 15.670 -4.221 119 H5 U 11 H5 U 11 -8.158 15.429 -8.346 120 H6 U 11 H6 U 11 -10.349 14.551 -7.790 121 1H5* U 12 1H5* U 12 -17.149 12.824 -3.028 122 2H5* U 12 2H5* U 12 -16.855 13.725 -1.532 123 H4* U 12 H4* U 12 -15.584 11.332 -2.474 124 H3* U 12 H3* U 12 -16.289 12.424 -0.083 125 H2* U 12 1H2* U 12 -14.705 14.101 0.047 126 2HO* U 12 2HO* U 12 -13.298 11.802 0.998 127 H1* U 12 H1* U 12 -12.470 12.420 -1.057 128 H3 U 12 H3 U 12 -9.948 16.124 -1.029 129 H5 U 12 H5 U 12 -13.614 17.513 -2.572 130 H6 U 12 H6 U 12 -14.520 15.287 -2.250 131 1H5* A 13 1H5* A 13 -17.201 9.968 -1.773 132 2H5* A 13 2H5* A 13 -18.178 8.523 -1.447 133 H4* A 13 H4* A 13 -17.263 7.957 -3.504 134 H3* A 13 H3* A 13 -16.195 6.607 -1.328 135 H2* A 13 1H2* A 13 -14.113 7.611 -1.265 136 2HO* A 13 2HO* A 13 -13.767 5.422 -1.992 137 H1* A 13 H1* A 13 -13.954 7.977 -4.251 138 H8 A 13 H8 A 13 -13.741 9.769 -0.840 139 1H6 A 13 1H6 A 13 -8.747 12.573 -3.072 140 2H6 A 13 2H6 A 13 -9.748 12.343 -1.656 141 H2 A 13 H2 A 13 -10.531 10.074 -6.340 142 1H5* G 14 1H5* G 14 -14.237 2.706 -4.874 143 2H5* G 14 2H5* G 14 -13.983 4.005 -3.679 144 H4* G 14 H4* G 14 -15.450 4.695 -6.206 145 H3* G 14 H3* G 14 -12.555 3.801 -6.091 146 H2* G 14 1H2* G 14 -11.950 5.510 -7.559 147 2HO* G 14 2HO* G 14 -13.665 6.792 -8.611 148 H1* G 14 H1* G 14 -13.571 7.478 -6.516 149 H8 G 14 H8 G 14 -12.329 6.389 -3.451 150 H1 G 14 H1 G 14 -7.342 8.172 -6.995 151 1H2 G 14 1H2 G 14 -9.571 7.925 -9.667 152 2H2 G 14 2H2 G 14 -7.946 8.286 -9.131 153 1H5* G 15 1H5* G 15 -13.461 2.855 -10.318 154 2H5* G 15 2H5* G 15 -12.645 1.331 -10.757 155 H4* G 15 H4* G 15 -11.933 3.383 -12.065 156 H3* G 15 H3* G 15 -9.967 1.861 -10.328 157 H2* G 15 1H2* G 15 -8.234 3.262 -11.051 158 2HO* G 15 2HO* G 15 -10.021 4.273 -13.041 159 H1* G 15 H1* G 15 -9.665 5.619 -11.017 160 H8 G 15 H8 G 15 -10.610 3.919 -7.878 161 H1 G 15 H1 G 15 -4.584 5.987 -7.647 162 1H2 G 15 1H2 G 15 -4.932 6.416 -11.091 163 2H2 G 15 2H2 G 15 -3.900 6.549 -9.683 164 1H5* G 16 1H5* G 16 -7.720 2.767 -13.477 165 2H5* G 16 2H5* G 16 -7.369 1.262 -14.366 166 H4* G 16 H4* G 16 -5.318 2.493 -14.217 167 H3* G 16 H3* G 16 -5.510 0.375 -12.044 168 H2* G 16 1H2* G 16 -3.297 0.899 -11.426 169 2HO* G 16 2HO* G 16 -2.624 1.100 -13.735 170 H1* G 16 H1* G 16 -3.578 3.634 -11.661 171 H8 G 16 H8 G 16 -6.680 2.505 -9.993 172 H1 G 16 H1 G 16 -1.679 2.082 -6.064 173 1H2 G 16 1H2 G 16 0.232 2.553 -8.942 174 2H2 G 16 2H2 G 16 0.208 2.295 -7.212 175 1H5* A 17 1H5* A 17 -2.185 -0.811 -14.284 176 2H5* A 17 2H5* A 17 -1.776 -2.534 -14.165 177 H4* A 17 H4* A 17 -0.111 -0.971 -13.071 178 H3* A 17 H3* A 17 -1.585 -3.093 -11.474 179 H2* A 17 1H2* A 17 -0.286 -2.535 -9.597 180 2HO* A 17 2HO* A 17 1.577 -1.238 -9.756 181 H1* A 17 H1* A 17 -0.315 0.201 -9.995 182 H8 A 17 H8 A 17 -3.800 -0.936 -10.581 183 1H6 A 17 1H6 A 17 -4.543 -1.391 -4.486 184 2H6 A 17 2H6 A 17 -5.358 -1.385 -6.034 185 H2 A 17 H2 A 17 -0.161 -0.850 -5.319 186 1H5* U 18 1H5* U 18 2.371 -3.640 -10.722 187 2H5* U 18 2H5* U 18 2.921 -5.328 -10.716 188 H4* U 18 H4* U 18 3.486 -4.273 -8.583 189 H3* U 18 H3* U 18 1.236 -6.310 -8.555 190 H2* U 18 1H2* U 18 1.073 -6.098 -6.227 191 2HO* U 18 2HO* U 18 3.429 -4.503 -6.163 192 H1* U 18 H1* U 18 1.445 -3.363 -6.109 193 H3 U 18 H3 U 18 -2.827 -4.092 -4.752 194 H5 U 18 H5 U 18 -2.959 -4.641 -8.928 195 H6 U 18 H6 U 18 -0.541 -4.462 -8.964 196 1H5* C 19 1H5* C 19 4.302 -7.736 -5.596 197 2H5* C 19 2H5* C 19 4.345 -9.506 -5.721 198 H4* C 19 H4* C 19 3.981 -8.769 -3.384 199 H3* C 19 H3* C 19 1.729 -10.199 -4.831 200 H2* C 19 1H2* C 19 0.449 -10.167 -2.864 201 2HO* C 19 2HO* C 19 1.492 -9.360 -0.861 202 H1* C 19 H1* C 19 1.114 -7.612 -2.077 203 1H4 C 19 1H4 C 19 -3.693 -7.269 -6.633 204 2H4 C 19 2H4 C 19 -4.489 -7.160 -5.080 205 H5 C 19 H5 C 19 -1.331 -7.664 -6.880 206 H6 C 19 H6 C 19 0.777 -8.045 -5.692 207 1H5* U 20 1H5* U 20 2.042 -12.156 -1.251 208 2H5* U 20 2H5* U 20 1.698 -13.893 -1.368 209 H4* U 20 H4* U 20 0.086 -12.716 0.119 210 H3* U 20 H3* U 20 -0.901 -13.920 -2.487 211 H2* U 20 1H2* U 20 -3.100 -13.337 -1.920 212 2HO* U 20 2HO* U 20 -3.702 -13.497 0.092 213 H1* U 20 H1* U 20 -2.515 -10.870 -0.821 214 H3 U 20 H3 U 20 -4.929 -9.970 -4.553 215 H5 U 20 H5 U 20 -1.180 -11.195 -6.036 216 H6 U 20 H6 U 20 -0.539 -11.766 -3.769 217 1H5* C 21 1H5* C 21 -3.515 -15.405 0.789 218 2H5* C 21 2H5* C 21 -3.733 -17.141 0.483 219 H4* C 21 H4* C 21 -5.913 -16.079 0.841 220 H3* C 21 H3* C 21 -5.254 -16.971 -1.985 221 H2* C 21 1H2* C 21 -7.399 -16.331 -2.687 222 2HO* C 21 2HO* C 21 -8.780 -17.094 -1.186 223 H1* C 21 H1* C 21 -7.570 -14.016 -1.183 224 1H4 C 21 1H4 C 21 -4.267 -12.789 -6.807 225 2H4 C 21 2H4 C 21 -5.873 -12.133 -7.022 226 H5 C 21 H5 C 21 -3.592 -14.012 -4.846 227 H6 C 21 H6 C 21 -4.313 -14.879 -2.672 228 H3T C 21 H3T C 21 -6.811 -18.600 -1.292 Start of MODEL 3 1 1H5* G 1 1H5* G 1 -14.761 -3.222 -8.670 2 2H5* G 1 2H5* G 1 -13.758 -4.497 -9.410 3 H4* G 1 H4* G 1 -16.493 -4.945 -8.133 4 H3* G 1 H3* G 1 -13.698 -4.978 -6.960 5 H2* G 1 1H2* G 1 -14.273 -6.824 -5.625 6 2HO* G 1 2HO* G 1 -16.995 -6.570 -6.434 7 H1* G 1 H1* G 1 -15.706 -8.186 -7.539 8 H8 G 1 H8 G 1 -12.912 -7.168 -9.584 9 H1 G 1 H1 G 1 -10.831 -11.067 -4.991 10 1H2 G 1 1H2 G 1 -13.926 -10.471 -3.503 11 2H2 G 1 2H2 G 1 -12.382 -11.287 -3.418 12 H5T G 1 H5T G 1 -14.966 -4.435 -11.101 13 1H5* G 2 1H5* G 2 -15.702 -6.075 -3.767 14 2H5* G 2 2H5* G 2 -15.840 -4.634 -2.726 15 H4* G 2 H4* G 2 -15.318 -6.368 -1.222 16 H3* G 2 H3* G 2 -12.716 -5.146 -2.209 17 H2* G 2 1H2* G 2 -11.560 -6.546 -0.689 18 2HO* G 2 2HO* G 2 -12.471 -7.255 1.091 19 H1* G 2 H1* G 2 -12.962 -8.801 -1.324 20 H8 G 2 H8 G 2 -12.532 -6.851 -4.495 21 H1 G 2 H1 G 2 -7.147 -9.767 -2.735 22 1H2 G 2 1H2 G 2 -8.798 -10.341 0.278 23 2H2 G 2 2H2 G 2 -7.340 -10.539 -0.667 24 1H5* G 3 1H5* G 3 -12.560 -5.111 1.881 25 2H5* G 3 2H5* G 3 -11.904 -3.627 2.622 26 H4* G 3 H4* G 3 -10.751 -5.666 3.420 27 H3* G 3 H3* G 3 -9.207 -3.806 1.585 28 H2* G 3 1H2* G 3 -7.292 -5.137 1.863 29 2HO* G 3 2HO* G 3 -7.008 -5.789 3.864 30 H1* G 3 H1* G 3 -8.575 -7.574 1.742 31 H8 G 3 H8 G 3 -10.007 -5.278 -0.872 32 H1 G 3 H1 G 3 -4.366 -7.693 -2.581 33 1H2 G 3 1H2 G 3 -4.165 -8.764 0.729 34 2H2 G 3 2H2 G 3 -3.409 -8.693 -0.846 35 1H5* A 4 1H5* A 4 -6.723 -3.839 5.124 36 2H5* A 4 2H5* A 4 -5.784 -2.334 5.193 37 H4* A 4 H4* A 4 -4.420 -4.459 4.854 38 H3* A 4 H3* A 4 -4.361 -2.154 2.879 39 H2* A 4 1H2* A 4 -2.689 -3.262 1.660 40 2HO* A 4 2HO* A 4 -1.254 -4.010 3.112 41 H1* A 4 H1* A 4 -3.750 -5.803 1.895 42 H8 A 4 H8 A 4 -6.513 -3.373 1.132 43 1H6 A 4 1H6 A 4 -4.828 -3.628 -4.783 44 2H6 A 4 2H6 A 4 -6.053 -3.076 -3.663 45 H2 A 4 H2 A 4 -1.668 -5.691 -2.347 46 1H5* U 5 1H5* U 5 -0.114 -2.560 4.258 47 2H5* U 5 2H5* U 5 0.606 -0.939 4.207 48 H4* U 5 H4* U 5 1.823 -2.631 2.800 49 H3* U 5 H3* U 5 0.508 -0.213 1.515 50 H2* U 5 1H2* U 5 1.440 -0.842 -0.549 51 2HO* U 5 2HO* U 5 3.039 -2.499 -0.683 52 H1* U 5 H1* U 5 1.009 -3.555 -0.277 53 H3 U 5 H3 U 5 -1.670 -2.138 -3.673 54 H5 U 5 H5 U 5 -3.627 -0.825 -0.179 55 H6 U 5 H6 U 5 -1.689 -1.534 1.095 56 1H5* C 6 1H5* C 6 4.113 -0.536 -0.524 57 2H5* C 6 2H5* C 6 5.065 0.832 0.086 58 H4* C 6 H4* C 6 5.487 0.953 -2.206 59 H3* C 6 H3* C 6 3.041 2.636 -1.576 60 H2* C 6 1H2* C 6 2.930 3.272 -3.842 61 2HO* C 6 2HO* C 6 4.653 2.645 -5.309 62 H1* C 6 H1* C 6 3.447 0.785 -4.886 63 1H4 C 6 1H4 C 6 -2.918 1.013 -3.036 64 2H4 C 6 2H4 C 6 -2.900 1.361 -4.750 65 H5 C 6 H5 C 6 -0.918 0.742 -1.723 66 H6 C 6 H6 C 6 1.529 0.729 -1.773 67 1H5* A 7 1H5* A 7 6.301 5.530 -2.470 68 2H5* A 7 2H5* A 7 5.958 7.215 -2.030 69 H4* A 7 H4* A 7 5.822 6.746 -4.507 70 H3* A 7 H3* A 7 3.420 7.730 -2.938 71 H2* A 7 1H2* A 7 2.156 7.834 -4.911 72 2HO* A 7 2HO* A 7 3.908 8.822 -6.155 73 H1* A 7 H1* A 7 3.110 5.506 -6.052 74 H8 A 7 H8 A 7 2.305 5.436 -2.298 75 1H6 A 7 1H6 A 7 -3.364 3.674 -3.932 76 2H6 A 7 2H6 A 7 -2.278 3.943 -2.588 77 H2 A 7 H2 A 7 -1.092 4.701 -7.669 78 1H5* C 8 1H5* C 8 2.801 12.363 -5.035 79 2H5* C 8 2H5* C 8 1.277 11.776 -4.342 80 H4* C 8 H4* C 8 2.128 11.951 -7.165 81 H3* C 8 H3* C 8 -0.462 11.794 -5.593 82 H2* C 8 1H2* C 8 -1.611 11.186 -7.555 83 2HO* C 8 2HO* C 8 -1.000 12.181 -9.316 84 H1* C 8 H1* C 8 0.279 9.440 -8.516 85 1H4 C 8 1H4 C 8 -3.120 6.239 -3.831 86 2H4 C 8 2H4 C 8 -4.168 6.191 -5.231 87 H5 C 8 H5 C 8 -1.056 7.467 -3.772 88 H6 C 8 H6 C 8 0.426 8.966 -5.018 89 1H5* C 9 1H5* C 9 -2.738 14.815 -8.912 90 2H5* C 9 2H5* C 9 -3.842 14.960 -7.530 91 H4* C 9 H4* C 9 -4.337 13.559 -9.900 92 H3* C 9 H3* C 9 -5.561 13.517 -7.125 93 H2* C 9 1H2* C 9 -6.953 11.737 -7.761 94 2HO* C 9 2HO* C 9 -6.967 12.898 -10.095 95 H1* C 9 H1* C 9 -5.078 10.343 -9.222 96 1H4 C 9 1H4 C 9 -4.119 8.878 -2.840 97 2H4 C 9 2H4 C 9 -5.427 7.829 -3.340 98 H5 C 9 H5 C 9 -3.198 10.601 -4.243 99 H6 C 9 H6 C 9 -3.327 11.693 -6.432 100 1H5* A 10 1H5* A 10 -9.196 13.317 -8.938 101 2H5* A 10 2H5* A 10 -10.353 14.004 -7.779 102 H4* A 10 H4* A 10 -10.271 11.412 -8.052 103 H3* A 10 H3* A 10 -10.171 12.936 -5.428 104 H2* A 10 1H2* A 10 -10.136 10.899 -4.244 105 2HO* A 10 2HO* A 10 -10.868 9.029 -5.057 106 H1* A 10 H1* A 10 -8.377 9.588 -5.896 107 H8 A 10 H8 A 10 -7.127 13.093 -5.579 108 1H6 A 10 1H6 A 10 -4.778 11.582 -0.092 109 2H6 A 10 2H6 A 10 -4.823 12.799 -1.348 110 H2 A 10 H2 A 10 -7.463 8.235 -1.429 111 1H5* U 11 1H5* U 11 -12.557 9.811 -4.633 112 2H5* U 11 2H5* U 11 -14.220 10.376 -4.373 113 H4* U 11 H4* U 11 -13.531 8.674 -2.692 114 H3* U 11 H3* U 11 -14.948 10.938 -2.176 115 H2* U 11 1H2* U 11 -13.149 12.341 -1.589 116 2HO* U 11 2HO* U 11 -12.976 12.207 0.813 117 H1* U 11 H1* U 11 -11.825 10.195 0.056 118 H3 U 11 H3 U 11 -8.152 12.699 0.600 119 H5 U 11 H5 U 11 -9.437 13.802 -3.258 120 H6 U 11 H6 U 11 -11.310 12.285 -2.998 121 1H5* U 12 1H5* U 12 -16.974 7.275 1.055 122 2H5* U 12 2H5* U 12 -16.625 7.702 2.739 123 H4* U 12 H4* U 12 -15.029 6.192 0.862 124 H3* U 12 H3* U 12 -15.600 6.115 3.521 125 H2* U 12 1H2* U 12 -14.440 7.987 4.216 126 2HO* U 12 2HO* U 12 -13.354 6.579 5.458 127 H1* U 12 H1* U 12 -12.067 7.497 2.439 128 H3 U 12 H3 U 12 -10.507 11.510 3.670 129 H5 U 12 H5 U 12 -14.624 12.246 3.152 130 H6 U 12 H6 U 12 -14.914 9.893 2.641 131 1H5* A 13 1H5* A 13 -17.213 3.341 -0.033 132 2H5* A 13 2H5* A 13 -16.216 2.100 0.750 133 H4* A 13 H4* A 13 -15.688 3.205 -1.713 134 H3* A 13 H3* A 13 -14.339 1.509 0.197 135 H2* A 13 1H2* A 13 -12.515 2.848 0.531 136 2HO* A 13 2HO* A 13 -12.238 1.918 -2.124 137 H1* A 13 H1* A 13 -12.958 4.368 -2.040 138 H8 A 13 H8 A 13 -12.586 4.800 1.791 139 1H6 A 13 1H6 A 13 -8.532 9.229 0.456 140 2H6 A 13 2H6 A 13 -9.268 8.302 1.745 141 H2 A 13 H2 A 13 -10.258 7.692 -3.390 142 1H5* G 14 1H5* G 14 -12.163 -0.353 -5.015 143 2H5* G 14 2H5* G 14 -11.647 0.374 -3.471 144 H4* G 14 H4* G 14 -13.927 1.600 -5.044 145 H3* G 14 H3* G 14 -10.982 1.636 -5.772 146 H2* G 14 1H2* G 14 -11.120 3.898 -6.322 147 2HO* G 14 2HO* G 14 -13.124 4.970 -6.609 148 H1* G 14 H1* G 14 -12.789 4.681 -4.278 149 H8 G 14 H8 G 14 -10.613 2.864 -2.259 150 H1 G 14 H1 G 14 -7.153 7.301 -5.243 151 1H2 G 14 1H2 G 14 -9.877 7.502 -7.411 152 2H2 G 14 2H2 G 14 -8.278 8.076 -6.993 153 1H5* G 15 1H5* G 15 -12.923 4.006 -10.084 154 2H5* G 15 2H5* G 15 -12.458 2.423 -10.763 155 H4* G 15 H4* G 15 -11.474 4.388 -11.970 156 H3* G 15 H3* G 15 -9.654 2.497 -10.447 157 H2* G 15 1H2* G 15 -7.776 3.671 -11.252 158 2HO* G 15 2HO* G 15 -8.093 4.139 -13.340 159 H1* G 15 H1* G 15 -8.798 6.184 -10.863 160 H8 G 15 H8 G 15 -9.734 3.690 -8.127 161 H1 G 15 H1 G 15 -4.003 6.347 -7.288 162 1H2 G 15 1H2 G 15 -4.516 7.707 -10.458 163 2H2 G 15 2H2 G 15 -3.463 7.562 -9.069 164 1H5* G 16 1H5* G 16 -7.593 1.369 -14.540 165 2H5* G 16 2H5* G 16 -7.270 -0.308 -14.028 166 H4* G 16 H4* G 16 -5.310 1.398 -14.582 167 H3* G 16 H3* G 16 -5.475 -0.484 -12.205 168 H2* G 16 1H2* G 16 -3.320 0.200 -11.563 169 2HO* G 16 2HO* G 16 -1.919 1.270 -12.934 170 H1* G 16 H1* G 16 -3.650 2.880 -12.153 171 H8 G 16 H8 G 16 -6.756 1.935 -10.408 172 H1 G 16 H1 G 16 -1.827 2.076 -6.367 173 1H2 G 16 1H2 G 16 0.136 2.143 -9.247 174 2H2 G 16 2H2 G 16 0.080 2.127 -7.498 175 1H5* A 17 1H5* A 17 -1.883 -1.474 -14.212 176 2H5* A 17 2H5* A 17 -1.598 -3.224 -14.298 177 H4* A 17 H4* A 17 0.311 -2.080 -13.241 178 H3* A 17 H3* A 17 -1.432 -3.862 -11.516 179 H2* A 17 1H2* A 17 -0.007 -3.498 -9.685 180 2HO* A 17 2HO* A 17 1.993 -2.114 -10.224 181 H1* A 17 H1* A 17 0.411 -0.809 -10.116 182 H8 A 17 H8 A 17 -3.213 -1.584 -10.736 183 1H6 A 17 1H6 A 17 -4.089 -1.376 -4.650 184 2H6 A 17 2H6 A 17 -4.874 -1.441 -6.212 185 H2 A 17 H2 A 17 0.338 -1.332 -5.420 186 1H5* U 18 1H5* U 18 2.420 -5.116 -10.853 187 2H5* U 18 2H5* U 18 2.612 -6.879 -10.777 188 H4* U 18 H4* U 18 3.428 -5.858 -8.702 189 H3* U 18 H3* U 18 0.833 -7.426 -8.553 190 H2* U 18 1H2* U 18 0.774 -7.102 -6.232 191 2HO* U 18 2HO* U 18 2.710 -6.023 -5.234 192 H1* U 18 H1* U 18 1.660 -4.484 -6.238 193 H3 U 18 H3 U 18 -2.633 -4.246 -4.800 194 H5 U 18 H5 U 18 -2.983 -5.101 -8.910 195 H6 U 18 H6 U 18 -0.576 -5.386 -8.990 196 1H5* C 19 1H5* C 19 3.420 -9.333 -5.690 197 2H5* C 19 2H5* C 19 3.313 -11.098 -5.842 198 H4* C 19 H4* C 19 2.876 -10.491 -3.530 199 H3* C 19 H3* C 19 0.458 -11.328 -5.161 200 H2* C 19 1H2* C 19 -0.889 -11.150 -3.247 201 2HO* C 19 2HO* C 19 -0.084 -11.729 -1.389 202 H1* C 19 H1* C 19 0.248 -8.843 -2.256 203 1H4 C 19 1H4 C 19 -4.173 -7.261 -6.945 204 2H4 C 19 2H4 C 19 -4.978 -7.021 -5.411 205 H5 C 19 H5 C 19 -1.948 -8.162 -7.140 206 H6 C 19 H6 C 19 -0.022 -9.043 -5.908 207 1H5* U 20 1H5* U 20 0.358 -13.836 -1.683 208 2H5* U 20 2H5* U 20 -0.551 -15.323 -2.019 209 H4* U 20 H4* U 20 -1.597 -13.766 -0.293 210 H3* U 20 H3* U 20 -3.040 -14.606 -2.828 211 H2* U 20 1H2* U 20 -4.953 -13.451 -2.116 212 2HO* U 20 2HO* U 20 -5.435 -13.148 -0.057 213 H1* U 20 H1* U 20 -3.652 -11.260 -1.043 214 H3 U 20 H3 U 20 -5.964 -9.633 -4.590 215 H5 U 20 H5 U 20 -2.791 -11.782 -6.342 216 H6 U 20 H6 U 20 -2.190 -12.574 -4.129 217 1H5* C 21 1H5* C 21 -5.776 -15.061 0.578 218 2H5* C 21 2H5* C 21 -6.389 -16.724 0.470 219 H4* C 21 H4* C 21 -8.292 -15.289 0.816 220 H3* C 21 H3* C 21 -7.943 -16.238 -2.047 221 H2* C 21 1H2* C 21 -9.939 -15.161 -2.646 222 2HO* C 21 2HO* C 21 -11.440 -14.439 -1.119 223 H1* C 21 H1* C 21 -9.572 -12.895 -1.102 224 1H4 C 21 1H4 C 21 -6.327 -12.215 -6.848 225 2H4 C 21 2H4 C 21 -7.780 -11.250 -6.983 226 H5 C 21 H5 C 21 -5.833 -13.596 -4.940 227 H6 C 21 H6 C 21 -6.627 -14.360 -2.752 228 H3T C 21 H3T C 21 -8.468 -17.700 -0.272 Start of MODEL 4 1 1H5* G 1 1H5* G 1 -13.491 -1.758 -10.243 2 2H5* G 1 2H5* G 1 -12.718 -3.014 -11.244 3 H4* G 1 H4* G 1 -15.636 -3.218 -10.461 4 H3* G 1 H3* G 1 -13.213 -3.682 -8.696 5 H2* G 1 1H2* G 1 -14.244 -5.590 -7.780 6 2HO* G 1 2HO* G 1 -16.649 -4.866 -9.145 7 H1* G 1 H1* G 1 -15.253 -6.581 -10.136 8 H8 G 1 H8 G 1 -12.081 -5.792 -11.501 9 H1 G 1 H1 G 1 -11.165 -9.851 -6.672 10 1H2 G 1 1H2 G 1 -14.423 -9.017 -5.754 11 2H2 G 1 2H2 G 1 -12.986 -9.952 -5.407 12 H5T G 1 H5T G 1 -14.056 -0.999 -12.118 13 1H5* G 2 1H5* G 2 -16.183 -3.184 -4.792 14 2H5* G 2 2H5* G 2 -14.912 -2.193 -4.030 15 H4* G 2 H4* G 2 -15.793 -4.420 -2.901 16 H3* G 2 H3* G 2 -12.904 -3.561 -3.247 17 H2* G 2 1H2* G 2 -12.192 -5.485 -2.107 18 2HO* G 2 2HO* G 2 -13.976 -6.897 -1.192 19 H1* G 2 H1* G 2 -13.974 -7.242 -3.255 20 H8 G 2 H8 G 2 -12.920 -5.305 -6.163 21 H1 G 2 H1 G 2 -8.042 -8.768 -3.958 22 1H2 G 2 1H2 G 2 -10.016 -9.176 -1.114 23 2H2 G 2 2H2 G 2 -8.505 -9.523 -1.924 24 1H5* G 3 1H5* G 3 -12.978 -4.261 1.502 25 2H5* G 3 2H5* G 3 -11.974 -2.833 1.866 26 H4* G 3 H4* G 3 -11.219 -5.144 2.753 27 H3* G 3 H3* G 3 -9.466 -3.341 1.050 28 H2* G 3 1H2* G 3 -7.687 -4.850 1.338 29 2HO* G 3 2HO* G 3 -8.007 -6.691 2.836 30 H1* G 3 H1* G 3 -9.182 -7.153 1.067 31 H8 G 3 H8 G 3 -10.417 -4.900 -1.596 32 H1 G 3 H1 G 3 -4.565 -7.044 -2.917 33 1H2 G 3 1H2 G 3 -4.527 -8.070 0.417 34 2H2 G 3 2H2 G 3 -3.673 -7.976 -1.107 35 1H5* A 4 1H5* A 4 -6.955 -4.103 4.580 36 2H5* A 4 2H5* A 4 -6.091 -2.586 4.901 37 H4* A 4 H4* A 4 -4.572 -4.553 4.519 38 H3* A 4 H3* A 4 -4.530 -2.156 2.662 39 H2* A 4 1H2* A 4 -2.737 -3.100 1.477 40 2HO* A 4 2HO* A 4 -1.743 -3.849 3.588 41 H1* A 4 H1* A 4 -3.669 -5.686 1.465 42 H8 A 4 H8 A 4 -6.520 -3.297 0.847 43 1H6 A 4 1H6 A 4 -4.762 -3.074 -5.046 44 2H6 A 4 2H6 A 4 -6.016 -2.643 -3.905 45 H2 A 4 H2 A 4 -1.571 -5.223 -2.721 46 1H5* U 5 1H5* U 5 -0.164 -2.297 4.230 47 2H5* U 5 2H5* U 5 0.357 -0.610 4.049 48 H4* U 5 H4* U 5 1.675 -2.395 2.730 49 H3* U 5 H3* U 5 0.425 0.083 1.508 50 H2* U 5 1H2* U 5 1.318 -0.486 -0.584 51 2HO* U 5 2HO* U 5 2.908 -2.434 0.779 52 H1* U 5 H1* U 5 0.854 -3.201 -0.429 53 H3 U 5 H3 U 5 -1.842 -1.535 -3.707 54 H5 U 5 H5 U 5 -3.779 -0.505 -0.110 55 H6 U 5 H6 U 5 -1.823 -1.285 1.091 56 1H5* C 6 1H5* C 6 4.683 -0.052 -0.314 57 2H5* C 6 2H5* C 6 5.199 1.562 0.219 58 H4* C 6 H4* C 6 5.682 1.312 -2.160 59 H3* C 6 H3* C 6 3.362 3.122 -1.423 60 H2* C 6 1H2* C 6 3.089 3.693 -3.688 61 2HO* C 6 2HO* C 6 5.640 3.535 -3.855 62 H1* C 6 H1* C 6 3.425 1.165 -4.701 63 1H4 C 6 1H4 C 6 -2.740 1.661 -2.299 64 2H4 C 6 2H4 C 6 -2.870 1.931 -4.022 65 H5 C 6 H5 C 6 -0.638 1.385 -1.161 66 H6 C 6 H6 C 6 1.793 1.296 -1.427 67 1H5* A 7 1H5* A 7 6.365 6.413 -2.998 68 2H5* A 7 2H5* A 7 5.568 7.899 -2.446 69 H4* A 7 H4* A 7 5.712 7.432 -5.011 70 H3* A 7 H3* A 7 3.213 8.237 -3.485 71 H2* A 7 1H2* A 7 2.018 8.306 -5.503 72 2HO* A 7 2HO* A 7 3.030 9.121 -7.164 73 H1* A 7 H1* A 7 3.172 6.070 -6.653 74 H8 A 7 H8 A 7 2.259 5.634 -2.979 75 1H6 A 7 1H6 A 7 -3.347 3.978 -4.909 76 2H6 A 7 2H6 A 7 -2.282 4.096 -3.526 77 H2 A 7 H2 A 7 -1.045 5.498 -8.456 78 1H5* C 8 1H5* C 8 2.374 12.649 -5.630 79 2H5* C 8 2H5* C 8 0.818 12.207 -4.897 80 H4* C 8 H4* C 8 1.769 11.841 -7.663 81 H3* C 8 H3* C 8 -0.876 11.908 -6.176 82 H2* C 8 1H2* C 8 -1.939 10.899 -8.011 83 2HO* C 8 2HO* C 8 -0.774 10.620 -10.028 84 H1* C 8 H1* C 8 0.047 9.081 -8.591 85 1H4 C 8 1H4 C 8 -3.436 6.558 -3.573 86 2H4 C 8 2H4 C 8 -4.486 6.339 -4.955 87 H5 C 8 H5 C 8 -1.368 7.774 -3.670 88 H6 C 8 H6 C 8 0.125 9.095 -5.093 89 1H5* C 9 1H5* C 9 -3.760 14.901 -9.658 90 2H5* C 9 2H5* C 9 -4.370 14.302 -8.103 91 H4* C 9 H4* C 9 -4.696 13.178 -10.840 92 H3* C 9 H3* C 9 -6.225 13.252 -8.222 93 H2* C 9 1H2* C 9 -7.487 11.393 -8.888 94 2HO* C 9 2HO* C 9 -7.417 10.624 -11.072 95 H1* C 9 H1* C 9 -5.423 9.996 -10.089 96 1H4 C 9 1H4 C 9 -5.114 8.742 -3.607 97 2H4 C 9 2H4 C 9 -6.360 7.668 -4.199 98 H5 C 9 H5 C 9 -4.074 10.434 -4.967 99 H6 C 9 H6 C 9 -3.996 11.457 -7.190 100 1H5* A 10 1H5* A 10 -11.389 13.699 -9.504 101 2H5* A 10 2H5* A 10 -10.502 14.233 -8.062 102 H4* A 10 H4* A 10 -11.453 11.513 -8.820 103 H3* A 10 H3* A 10 -10.952 13.116 -6.294 104 H2* A 10 1H2* A 10 -10.841 11.128 -5.047 105 2HO* A 10 2HO* A 10 -11.868 9.343 -5.614 106 H1* A 10 H1* A 10 -9.384 9.674 -6.868 107 H8 A 10 H8 A 10 -7.823 13.024 -6.903 108 1H6 A 10 1H6 A 10 -5.152 11.740 -1.508 109 2H6 A 10 2H6 A 10 -5.185 12.844 -2.865 110 H2 A 10 H2 A 10 -8.247 8.586 -2.320 111 1H5* U 11 1H5* U 11 -13.446 10.394 -5.138 112 2H5* U 11 2H5* U 11 -15.065 10.988 -4.718 113 H4* U 11 H4* U 11 -14.304 9.330 -3.072 114 H3* U 11 H3* U 11 -15.433 11.721 -2.418 115 H2* U 11 1H2* U 11 -13.460 12.960 -2.105 116 2HO* U 11 2HO* U 11 -12.938 12.723 0.284 117 H1* U 11 H1* U 11 -12.104 10.718 -0.624 118 H3 U 11 H3 U 11 -8.232 12.957 -0.605 119 H5 U 11 H5 U 11 -9.887 14.040 -4.327 120 H6 U 11 H6 U 11 -11.821 12.682 -3.788 121 1H5* U 12 1H5* U 12 -17.323 8.395 1.206 122 2H5* U 12 2H5* U 12 -16.595 8.682 2.796 123 H4* U 12 H4* U 12 -15.636 7.067 0.589 124 H3* U 12 H3* U 12 -15.752 6.883 3.303 125 H2* U 12 1H2* U 12 -14.194 8.484 3.864 126 2HO* U 12 2HO* U 12 -12.695 6.113 3.362 127 H1* U 12 H1* U 12 -12.275 7.769 1.666 128 H3 U 12 H3 U 12 -9.898 11.333 3.025 129 H5 U 12 H5 U 12 -13.827 12.839 2.811 130 H6 U 12 H6 U 12 -14.587 10.603 2.259 131 1H5* A 13 1H5* A 13 -18.148 4.785 -0.563 132 2H5* A 13 2H5* A 13 -17.439 3.334 0.172 133 H4* A 13 H4* A 13 -16.900 4.087 -2.360 134 H3* A 13 H3* A 13 -15.734 2.335 -0.448 135 H2* A 13 1H2* A 13 -13.765 3.470 -0.127 136 2HO* A 13 2HO* A 13 -13.045 1.745 -1.403 137 H1* A 13 H1* A 13 -13.866 4.769 -2.852 138 H8 A 13 H8 A 13 -13.325 5.244 0.934 139 1H6 A 13 1H6 A 13 -9.101 9.439 -0.596 140 2H6 A 13 2H6 A 13 -9.805 8.528 0.722 141 H2 A 13 H2 A 13 -11.191 8.121 -4.339 142 1H5* G 14 1H5* G 14 -13.154 -0.058 -4.809 143 2H5* G 14 2H5* G 14 -13.141 0.912 -3.314 144 H4* G 14 H4* G 14 -14.870 1.902 -5.545 145 H3* G 14 H3* G 14 -11.860 1.597 -5.772 146 H2* G 14 1H2* G 14 -11.694 3.711 -6.747 147 2HO* G 14 2HO* G 14 -13.679 3.253 -8.099 148 H1* G 14 H1* G 14 -13.552 4.988 -5.162 149 H8 G 14 H8 G 14 -11.827 3.293 -2.593 150 H1 G 14 H1 G 14 -7.710 7.172 -5.529 151 1H2 G 14 1H2 G 14 -10.115 7.294 -8.046 152 2H2 G 14 2H2 G 14 -8.547 7.818 -7.475 153 1H5* G 15 1H5* G 15 -12.830 3.513 -10.277 154 2H5* G 15 2H5* G 15 -12.558 1.855 -10.876 155 H4* G 15 H4* G 15 -11.252 3.422 -12.198 156 H3* G 15 H3* G 15 -9.641 1.886 -10.129 157 H2* G 15 1H2* G 15 -7.674 2.842 -11.031 158 2HO* G 15 2HO* G 15 -9.039 2.874 -13.294 159 H1* G 15 H1* G 15 -8.669 5.383 -11.191 160 H8 G 15 H8 G 15 -9.862 3.374 -8.154 161 H1 G 15 H1 G 15 -4.265 6.295 -7.270 162 1H2 G 15 1H2 G 15 -4.501 7.090 -10.658 163 2H2 G 15 2H2 G 15 -3.579 7.207 -9.176 164 1H5* G 16 1H5* G 16 -7.728 1.217 -13.750 165 2H5* G 16 2H5* G 16 -7.134 -0.454 -13.942 166 H4* G 16 H4* G 16 -5.385 1.333 -14.216 167 H3* G 16 H3* G 16 -5.180 -0.628 -11.906 168 H2* G 16 1H2* G 16 -3.091 0.299 -11.358 169 2HO* G 16 2HO* G 16 -2.811 0.588 -13.930 170 H1* G 16 H1* G 16 -3.772 2.934 -11.840 171 H8 G 16 H8 G 16 -6.625 1.570 -9.933 172 H1 G 16 H1 G 16 -1.496 2.285 -6.213 173 1H2 G 16 1H2 G 16 0.249 2.623 -9.212 174 2H2 G 16 2H2 G 16 0.311 2.583 -7.465 175 1H5* A 17 1H5* A 17 -1.525 -1.215 -14.015 176 2H5* A 17 2H5* A 17 -1.177 -2.948 -14.179 177 H4* A 17 H4* A 17 0.713 -1.847 -13.097 178 H3* A 17 H3* A 17 -1.035 -3.604 -11.348 179 H2* A 17 1H2* A 17 0.413 -3.242 -9.530 180 2HO* A 17 2HO* A 17 2.479 -3.151 -9.957 181 H1* A 17 H1* A 17 0.794 -0.556 -9.953 182 H8 A 17 H8 A 17 -2.801 -1.530 -10.630 183 1H6 A 17 1H6 A 17 -3.821 -0.960 -4.590 184 2H6 A 17 2H6 A 17 -4.568 -1.169 -6.157 185 H2 A 17 H2 A 17 0.610 -0.734 -5.276 186 1H5* U 18 1H5* U 18 2.820 -5.238 -10.840 187 2H5* U 18 2H5* U 18 2.796 -7.013 -10.800 188 H4* U 18 H4* U 18 3.783 -6.146 -8.732 189 H3* U 18 H3* U 18 1.024 -7.392 -8.545 190 H2* U 18 1H2* U 18 1.040 -7.099 -6.217 191 2HO* U 18 2HO* U 18 2.980 -6.475 -5.109 192 H1* U 18 H1* U 18 2.203 -4.599 -6.199 193 H3 U 18 H3 U 18 -2.033 -3.837 -4.793 194 H5 U 18 H5 U 18 -2.483 -4.755 -8.880 195 H6 U 18 H6 U 18 -0.119 -5.284 -8.957 196 1H5* C 19 1H5* C 19 3.277 -9.690 -5.587 197 2H5* C 19 2H5* C 19 2.788 -11.386 -5.778 198 H4* C 19 H4* C 19 2.415 -10.633 -3.464 199 H3* C 19 H3* C 19 -0.043 -11.130 -5.181 200 H2* C 19 1H2* C 19 -1.393 -10.764 -3.286 201 2HO* C 19 2HO* C 19 1.033 -10.913 -1.779 202 H1* C 19 H1* C 19 0.019 -8.603 -2.332 203 1H4 C 19 1H4 C 19 -4.040 -6.623 -7.195 204 2H4 C 19 2H4 C 19 -4.886 -6.301 -5.698 205 H5 C 19 H5 C 19 -1.906 -7.736 -7.292 206 H6 C 19 H6 C 19 -0.132 -8.796 -5.979 207 1H5* U 20 1H5* U 20 -1.022 -13.591 -1.711 208 2H5* U 20 2H5* U 20 -2.202 -14.766 -2.322 209 H4* U 20 H4* U 20 -2.986 -12.926 -0.629 210 H3* U 20 H3* U 20 -4.375 -13.689 -3.220 211 H2* U 20 1H2* U 20 -6.102 -12.183 -2.709 212 2HO* U 20 2HO* U 20 -6.720 -12.017 -0.704 213 H1* U 20 H1* U 20 -4.502 -10.181 -1.669 214 H3 U 20 H3 U 20 -6.535 -8.697 -5.500 215 H5 U 20 H5 U 20 -3.192 -10.904 -6.804 216 H6 U 20 H6 U 20 -2.866 -11.644 -4.518 217 1H5* C 21 1H5* C 21 -7.662 -13.895 0.073 218 2H5* C 21 2H5* C 21 -8.345 -15.485 -0.323 219 H4* C 21 H4* C 21 -10.130 -13.798 -0.124 220 H3* C 21 H3* C 21 -9.519 -14.919 -2.876 221 H2* C 21 1H2* C 21 -11.285 -13.674 -3.790 222 2HO* C 21 2HO* C 21 -13.018 -13.114 -2.668 223 H1* C 21 H1* C 21 -10.879 -11.372 -2.316 224 1H4 C 21 1H4 C 21 -6.753 -11.358 -7.508 225 2H4 C 21 2H4 C 21 -8.099 -10.331 -7.948 226 H5 C 21 H5 C 21 -6.665 -12.609 -5.451 227 H6 C 21 H6 C 21 -7.850 -13.145 -3.374 228 H3T C 21 H3T C 21 -11.241 -16.212 -2.360 Start of MODEL 5 1 1H5* G 1 1H5* G 1 -14.805 -3.175 -11.683 2 2H5* G 1 2H5* G 1 -14.505 -2.025 -10.352 3 H4* G 1 H4* G 1 -16.210 -3.675 -9.722 4 H3* G 1 H3* G 1 -13.476 -3.990 -8.446 5 H2* G 1 1H2* G 1 -14.280 -5.785 -7.156 6 2HO* G 1 2HO* G 1 -16.560 -4.462 -7.226 7 H1* G 1 H1* G 1 -15.747 -6.989 -9.146 8 H8 G 1 H8 G 1 -12.857 -6.291 -11.135 9 H1 G 1 H1 G 1 -11.149 -10.168 -6.375 10 1H2 G 1 1H2 G 1 -14.187 -9.247 -4.938 11 2H2 G 1 2H2 G 1 -12.719 -10.190 -4.808 12 H5T G 1 H5T G 1 -12.544 -2.753 -10.146 13 1H5* G 2 1H5* G 2 -16.047 -4.675 -5.077 14 2H5* G 2 2H5* G 2 -15.693 -3.263 -4.047 15 H4* G 2 H4* G 2 -15.685 -5.314 -2.718 16 H3* G 2 H3* G 2 -12.956 -4.133 -3.325 17 H2* G 2 1H2* G 2 -11.963 -5.774 -1.955 18 2HO* G 2 2HO* G 2 -13.305 -5.851 -0.191 19 H1* G 2 H1* G 2 -13.462 -7.879 -2.869 20 H8 G 2 H8 G 2 -12.672 -5.675 -5.803 21 H1 G 2 H1 G 2 -7.678 -9.220 -4.036 22 1H2 G 2 1H2 G 2 -9.576 -9.934 -1.201 23 2H2 G 2 2H2 G 2 -8.078 -10.172 -2.072 24 1H5* G 3 1H5* G 3 -12.831 -3.517 1.209 25 2H5* G 3 2H5* G 3 -11.460 -2.390 1.380 26 H4* G 3 H4* G 3 -11.358 -4.967 2.134 27 H3* G 3 H3* G 3 -9.212 -3.324 0.745 28 H2* G 3 1H2* G 3 -7.766 -5.171 0.873 29 2HO* G 3 2HO* G 3 -9.516 -5.973 2.925 30 H1* G 3 H1* G 3 -9.662 -7.101 0.295 31 H8 G 3 H8 G 3 -10.369 -4.563 -2.240 32 H1 G 3 H1 G 3 -4.731 -7.310 -3.357 33 1H2 G 3 1H2 G 3 -5.014 -8.506 -0.094 34 2H2 G 3 2H2 G 3 -4.064 -8.433 -1.562 35 1H5* A 4 1H5* A 4 -7.148 -3.985 4.597 36 2H5* A 4 2H5* A 4 -6.340 -2.468 5.046 37 H4* A 4 H4* A 4 -4.701 -4.292 4.792 38 H3* A 4 H3* A 4 -4.694 -2.058 2.740 39 H2* A 4 1H2* A 4 -2.802 -3.010 1.714 40 2HO* A 4 2HO* A 4 -2.616 -4.843 3.898 41 H1* A 4 H1* A 4 -3.643 -5.618 1.845 42 H8 A 4 H8 A 4 -6.535 -3.320 1.019 43 1H6 A 4 1H6 A 4 -4.679 -3.495 -4.845 44 2H6 A 4 2H6 A 4 -5.947 -2.977 -3.756 45 H2 A 4 H2 A 4 -1.532 -5.485 -2.331 46 1H5* U 5 1H5* U 5 -0.721 -2.421 4.168 47 2H5* U 5 2H5* U 5 0.060 -0.840 4.386 48 H4* U 5 H4* U 5 1.392 -2.300 2.897 49 H3* U 5 H3* U 5 0.053 0.155 1.721 50 H2* U 5 1H2* U 5 1.041 -0.293 -0.360 51 2HO* U 5 2HO* U 5 2.580 -2.328 -0.220 52 H1* U 5 H1* U 5 0.727 -3.036 -0.305 53 H3 U 5 H3 U 5 -2.029 -1.660 -3.624 54 H5 U 5 H5 U 5 -3.985 -0.418 -0.107 55 H6 U 5 H6 U 5 -2.030 -1.111 1.149 56 1H5* C 6 1H5* C 6 4.932 2.686 0.600 57 2H5* C 6 2H5* C 6 3.370 3.455 0.262 58 H4* C 6 H4* C 6 5.251 2.142 -1.578 59 H3* C 6 H3* C 6 2.896 4.049 -1.741 60 H2* C 6 1H2* C 6 2.730 3.648 -4.052 61 2HO* C 6 2HO* C 6 5.382 2.749 -3.743 62 H1* C 6 H1* C 6 3.131 0.933 -3.941 63 1H4 C 6 1H4 C 6 -3.167 2.056 -2.236 64 2H4 C 6 2H4 C 6 -3.179 2.006 -3.986 65 H5 C 6 H5 C 6 -1.153 1.978 -0.928 66 H6 C 6 H6 C 6 1.290 1.835 -1.004 67 1H5* A 7 1H5* A 7 6.032 6.383 -4.084 68 2H5* A 7 2H5* A 7 5.745 8.109 -3.784 69 H4* A 7 H4* A 7 5.490 7.538 -6.186 70 H3* A 7 H3* A 7 3.056 8.414 -4.601 71 H2* A 7 1H2* A 7 1.744 8.324 -6.544 72 2HO* A 7 2HO* A 7 4.233 8.233 -7.940 73 H1* A 7 H1* A 7 2.841 6.017 -7.591 74 H8 A 7 H8 A 7 2.252 5.844 -3.838 75 1H6 A 7 1H6 A 7 -3.484 4.032 -5.131 76 2H6 A 7 2H6 A 7 -2.299 4.250 -3.863 77 H2 A 7 H2 A 7 -1.530 5.312 -8.971 78 1H5* C 8 1H5* C 8 1.415 12.562 -5.584 79 2H5* C 8 2H5* C 8 0.142 11.527 -4.905 80 H4* C 8 H4* C 8 1.306 11.533 -7.693 81 H3* C 8 H3* C 8 -1.446 11.571 -6.414 82 H2* C 8 1H2* C 8 -2.343 10.565 -8.346 83 2HO* C 8 2HO* C 8 -1.535 11.173 -10.197 84 H1* C 8 H1* C 8 -0.336 8.732 -8.713 85 1H4 C 8 1H4 C 8 -4.210 6.393 -3.882 86 2H4 C 8 2H4 C 8 -5.143 6.116 -5.336 87 H5 C 8 H5 C 8 -2.135 7.608 -3.860 88 H6 C 8 H6 C 8 -0.523 8.862 -5.213 89 1H5* C 9 1H5* C 9 -2.394 13.237 -10.176 90 2H5* C 9 2H5* C 9 -3.811 14.288 -9.990 91 H4* C 9 H4* C 9 -4.145 12.131 -11.349 92 H3* C 9 H3* C 9 -5.837 12.902 -8.948 93 H2* C 9 1H2* C 9 -7.174 11.006 -9.296 94 2HO* C 9 2HO* C 9 -7.010 11.449 -11.745 95 H1* C 9 H1* C 9 -5.137 9.269 -9.988 96 1H4 C 9 1H4 C 9 -5.437 9.425 -3.385 97 2H4 C 9 2H4 C 9 -6.653 8.260 -3.859 98 H5 C 9 H5 C 9 -4.229 10.788 -4.960 99 H6 C 9 H6 C 9 -3.914 11.318 -7.330 100 1H5* A 10 1H5* A 10 -9.004 11.775 -11.373 101 2H5* A 10 2H5* A 10 -10.392 12.705 -10.769 102 H4* A 10 H4* A 10 -10.284 10.156 -10.226 103 H3* A 10 H3* A 10 -10.791 12.393 -8.238 104 H2* A 10 1H2* A 10 -11.046 10.818 -6.510 105 2HO* A 10 2HO* A 10 -11.192 8.852 -8.582 106 H1* A 10 H1* A 10 -8.993 9.146 -7.266 107 H8 A 10 H8 A 10 -7.744 12.637 -7.696 108 1H6 A 10 1H6 A 10 -6.752 12.842 -1.623 109 2H6 A 10 2H6 A 10 -6.464 13.643 -3.152 110 H2 A 10 H2 A 10 -9.186 9.170 -2.517 111 1H5* U 11 1H5* U 11 -13.225 9.513 -7.105 112 2H5* U 11 2H5* U 11 -14.912 9.934 -7.468 113 H4* U 11 H4* U 11 -14.716 8.918 -5.226 114 H3* U 11 H3* U 11 -16.172 11.144 -5.805 115 H2* U 11 1H2* U 11 -14.572 12.769 -5.244 116 2HO* U 11 2HO* U 11 -15.092 13.547 -3.142 117 H1* U 11 H1* U 11 -13.718 11.310 -2.754 118 H3 U 11 H3 U 11 -10.221 14.049 -2.180 119 H5 U 11 H5 U 11 -10.584 13.912 -6.376 120 H6 U 11 H6 U 11 -12.484 12.434 -6.099 121 1H5* U 12 1H5* U 12 -19.038 8.597 -2.199 122 2H5* U 12 2H5* U 12 -19.097 9.507 -0.681 123 H4* U 12 H4* U 12 -17.146 7.581 -1.592 124 H3* U 12 H3* U 12 -18.346 8.258 0.755 125 H2* U 12 1H2* U 12 -17.323 10.293 1.134 126 2HO* U 12 2HO* U 12 -16.642 9.262 2.947 127 H1* U 12 H1* U 12 -14.610 9.401 0.201 128 H3 U 12 H3 U 12 -13.250 13.651 0.563 129 H5 U 12 H5 U 12 -17.082 14.057 -1.143 130 H6 U 12 H6 U 12 -17.329 11.648 -1.004 131 1H5* A 13 1H5* A 13 -19.096 4.445 -2.100 132 2H5* A 13 2H5* A 13 -18.364 3.552 -0.754 133 H4* A 13 H4* A 13 -17.180 3.932 -3.212 134 H3* A 13 H3* A 13 -16.406 2.965 -0.590 135 H2* A 13 1H2* A 13 -14.671 4.414 -0.255 136 2HO* A 13 2HO* A 13 -13.423 2.688 -0.950 137 H1* A 13 H1* A 13 -14.470 5.091 -3.190 138 H8 A 13 H8 A 13 -15.035 6.672 0.303 139 1H6 A 13 1H6 A 13 -10.651 10.677 -1.306 140 2H6 A 13 2H6 A 13 -11.718 10.163 -0.019 141 H2 A 13 H2 A 13 -11.406 7.934 -4.782 142 1H5* G 14 1H5* G 14 -14.382 -0.267 -4.321 143 2H5* G 14 2H5* G 14 -12.642 0.106 -4.269 144 H4* G 14 H4* G 14 -14.920 1.565 -5.469 145 H3* G 14 H3* G 14 -11.898 1.490 -5.710 146 H2* G 14 1H2* G 14 -11.912 3.544 -6.814 147 2HO* G 14 2HO* G 14 -13.751 2.922 -8.198 148 H1* G 14 H1* G 14 -13.879 4.765 -5.322 149 H8 G 14 H8 G 14 -12.111 3.600 -2.583 150 H1 G 14 H1 G 14 -8.118 7.224 -5.975 151 1H2 G 14 1H2 G 14 -10.404 6.743 -8.566 152 2H2 G 14 2H2 G 14 -8.901 7.467 -8.039 153 1H5* G 15 1H5* G 15 -13.287 2.386 -10.761 154 2H5* G 15 2H5* G 15 -12.462 0.815 -10.940 155 H4* G 15 H4* G 15 -11.633 2.736 -12.410 156 H3* G 15 H3* G 15 -9.824 1.311 -10.430 157 H2* G 15 1H2* G 15 -7.997 2.567 -11.239 158 2HO* G 15 2HO* G 15 -9.630 3.743 -13.248 159 H1* G 15 H1* G 15 -9.299 4.970 -11.323 160 H8 G 15 H8 G 15 -10.394 2.955 -8.306 161 H1 G 15 H1 G 15 -4.789 5.860 -7.437 162 1H2 G 15 1H2 G 15 -4.993 6.595 -10.840 163 2H2 G 15 2H2 G 15 -4.082 6.734 -9.353 164 1H5* G 16 1H5* G 16 -7.541 1.808 -13.625 165 2H5* G 16 2H5* G 16 -7.155 0.232 -14.362 166 H4* G 16 H4* G 16 -5.135 1.526 -14.332 167 H3* G 16 H3* G 16 -5.280 -0.406 -11.991 168 H2* G 16 1H2* G 16 -3.098 0.233 -11.387 169 2HO* G 16 2HO* G 16 -2.713 0.470 -13.958 170 H1* G 16 H1* G 16 -3.421 2.930 -11.901 171 H8 G 16 H8 G 16 -6.498 1.903 -10.113 172 H1 G 16 H1 G 16 -1.483 2.068 -6.181 173 1H2 G 16 1H2 G 16 0.412 2.262 -9.101 174 2H2 G 16 2H2 G 16 0.397 2.200 -7.353 175 1H5* A 17 1H5* A 17 -1.859 -1.274 -14.009 176 2H5* A 17 2H5* A 17 -1.398 -2.981 -14.162 177 H4* A 17 H4* A 17 0.382 -1.750 -13.027 178 H3* A 17 H3* A 17 -1.275 -3.650 -11.341 179 H2* A 17 1H2* A 17 0.081 -3.191 -9.480 180 2HO* A 17 2HO* A 17 2.074 -2.120 -9.665 181 H1* A 17 H1* A 17 0.334 -0.483 -9.906 182 H8 A 17 H8 A 17 -3.205 -1.634 -10.580 183 1H6 A 17 1H6 A 17 -4.235 -1.159 -4.533 184 2H6 A 17 2H6 A 17 -4.974 -1.395 -6.101 185 H2 A 17 H2 A 17 0.179 -0.697 -5.232 186 1H5* U 18 1H5* U 18 2.636 -4.624 -10.511 187 2H5* U 18 2H5* U 18 2.957 -6.362 -10.678 188 H4* U 18 H4* U 18 3.735 -5.731 -8.497 189 H3* U 18 H3* U 18 1.037 -7.115 -8.494 190 H2* U 18 1H2* U 18 0.993 -7.042 -6.148 191 2HO* U 18 2HO* U 18 3.769 -6.417 -6.357 192 H1* U 18 H1* U 18 1.985 -4.490 -5.882 193 H3 U 18 H3 U 18 -2.328 -4.042 -4.612 194 H5 U 18 H5 U 18 -2.587 -4.745 -8.758 195 H6 U 18 H6 U 18 -0.194 -5.134 -8.775 196 1H5* C 19 1H5* C 19 3.205 -9.249 -5.814 197 2H5* C 19 2H5* C 19 3.104 -11.012 -5.995 198 H4* C 19 H4* C 19 2.441 -10.483 -3.739 199 H3* C 19 H3* C 19 0.131 -11.109 -5.606 200 H2* C 19 1H2* C 19 -1.355 -10.944 -3.790 201 2HO* C 19 2HO* C 19 1.001 -11.117 -2.201 202 H1* C 19 H1* C 19 -0.212 -8.719 -2.651 203 1H4 C 19 1H4 C 19 -4.092 -6.883 -7.717 204 2H4 C 19 2H4 C 19 -5.034 -6.633 -6.264 205 H5 C 19 H5 C 19 -1.892 -7.861 -7.711 206 H6 C 19 H6 C 19 -0.129 -8.833 -6.316 207 1H5* U 20 1H5* U 20 -0.495 -13.615 -2.291 208 2H5* U 20 2H5* U 20 -1.403 -15.073 -2.740 209 H4* U 20 H4* U 20 -2.608 -13.523 -1.139 210 H3* U 20 H3* U 20 -3.753 -14.214 -3.865 211 H2* U 20 1H2* U 20 -5.697 -13.013 -3.333 212 2HO* U 20 2HO* U 20 -4.806 -13.373 -0.677 213 H1* U 20 H1* U 20 -4.448 -10.919 -2.028 214 H3 U 20 H3 U 20 -6.273 -9.069 -5.738 215 H5 U 20 H5 U 20 -3.039 -11.327 -7.220 216 H6 U 20 H6 U 20 -2.709 -12.204 -4.985 217 1H5* C 21 1H5* C 21 -6.775 -14.775 -0.759 218 2H5* C 21 2H5* C 21 -7.481 -16.386 -1.003 219 H4* C 21 H4* C 21 -9.304 -14.831 -0.709 220 H3* C 21 H3* C 21 -8.820 -15.700 -3.577 221 H2* C 21 1H2* C 21 -10.686 -14.459 -4.268 222 2HO* C 21 2HO* C 21 -11.849 -15.232 -2.199 223 H1* C 21 H1* C 21 -10.275 -12.280 -2.612 224 1H4 C 21 1H4 C 21 -6.594 -11.652 -8.099 225 2H4 C 21 2H4 C 21 -7.926 -10.528 -8.257 226 H5 C 21 H5 C 21 -6.367 -13.176 -6.247 227 H6 C 21 H6 C 21 -7.367 -13.954 -4.151 228 H3T C 21 H3T C 21 -10.232 -16.546 -1.340 Start of MODEL 6 1 1H5* G 1 1H5* G 1 -10.103 -3.506 -10.816 2 2H5* G 1 2H5* G 1 -11.375 -3.125 -12.006 3 H4* G 1 H4* G 1 -12.980 -4.380 -10.601 4 H3* G 1 H3* G 1 -10.590 -4.549 -8.741 5 H2* G 1 1H2* G 1 -11.265 -6.687 -8.052 6 2HO* G 1 2HO* G 1 -13.715 -6.416 -9.476 7 H1* G 1 H1* G 1 -12.053 -7.611 -10.529 8 H8 G 1 H8 G 1 -8.949 -6.136 -11.546 9 H1 G 1 H1 G 1 -7.732 -10.823 -7.398 10 1H2 G 1 1H2 G 1 -11.121 -10.595 -6.613 11 2H2 G 1 2H2 G 1 -9.587 -11.378 -6.314 12 H5T G 1 H5T G 1 -11.731 -1.437 -10.854 13 1H5* G 2 1H5* G 2 -13.980 -5.074 -6.114 14 2H5* G 2 2H5* G 2 -13.881 -3.986 -4.705 15 H4* G 2 H4* G 2 -14.281 -6.298 -3.996 16 H3* G 2 H3* G 2 -11.488 -5.210 -3.529 17 H2* G 2 1H2* G 2 -10.889 -7.210 -2.443 18 2HO* G 2 2HO* G 2 -12.801 -8.835 -2.289 19 H1* G 2 H1* G 2 -12.124 -8.915 -4.206 20 H8 G 2 H8 G 2 -10.579 -6.201 -6.249 21 H1 G 2 H1 G 2 -6.207 -10.283 -4.051 22 1H2 G 2 1H2 G 2 -8.779 -11.466 -2.015 23 2H2 G 2 2H2 G 2 -7.103 -11.595 -2.502 24 1H5* G 3 1H5* G 3 -12.325 -6.269 0.219 25 2H5* G 3 2H5* G 3 -11.978 -5.030 1.454 26 H4* G 3 H4* G 3 -10.681 -7.042 1.905 27 H3* G 3 H3* G 3 -9.113 -4.744 0.689 28 H2* G 3 1H2* G 3 -7.134 -5.994 0.909 29 2HO* G 3 2HO* G 3 -8.451 -7.102 2.991 30 H1* G 3 H1* G 3 -8.194 -8.403 0.104 31 H8 G 3 H8 G 3 -9.581 -5.707 -2.108 32 H1 G 3 H1 G 3 -3.566 -7.195 -3.593 33 1H2 G 3 1H2 G 3 -3.580 -8.937 -0.572 34 2H2 G 3 2H2 G 3 -2.682 -8.459 -1.996 35 1H5* A 4 1H5* A 4 -7.442 -4.005 4.928 36 2H5* A 4 2H5* A 4 -6.624 -2.450 4.671 37 H4* A 4 H4* A 4 -5.251 -4.728 4.719 38 H3* A 4 H3* A 4 -4.920 -2.362 2.851 39 H2* A 4 1H2* A 4 -3.103 -3.434 1.812 40 2HO* A 4 2HO* A 4 -1.971 -4.226 3.566 41 H1* A 4 H1* A 4 -4.215 -5.944 1.724 42 H8 A 4 H8 A 4 -6.982 -3.615 0.861 43 1H6 A 4 1H6 A 4 -4.538 -2.975 -4.750 44 2H6 A 4 2H6 A 4 -5.938 -2.659 -3.749 45 H2 A 4 H2 A 4 -1.545 -5.109 -2.164 46 1H5* U 5 1H5* U 5 -0.932 -2.723 4.224 47 2H5* U 5 2H5* U 5 -0.263 -1.100 4.491 48 H4* U 5 H4* U 5 0.994 -2.424 2.769 49 H3* U 5 H3* U 5 -0.438 0.141 2.006 50 H2* U 5 1H2* U 5 0.420 -0.032 -0.170 51 2HO* U 5 2HO* U 5 2.268 -1.844 1.005 52 H1* U 5 H1* U 5 0.142 -2.772 -0.427 53 H3 U 5 H3 U 5 -2.630 -0.665 -3.404 54 H5 U 5 H5 U 5 -4.716 -0.640 0.258 55 H6 U 5 H6 U 5 -2.702 -1.455 1.335 56 1H5* C 6 1H5* C 6 3.895 0.343 0.698 57 2H5* C 6 2H5* C 6 4.412 2.013 1.009 58 H4* C 6 H4* C 6 4.922 1.253 -1.322 59 H3* C 6 H3* C 6 2.971 3.526 -0.830 60 H2* C 6 1H2* C 6 2.730 3.832 -3.143 61 2HO* C 6 2HO* C 6 5.175 2.418 -3.266 62 H1* C 6 H1* C 6 2.734 1.163 -3.858 63 1H4 C 6 1H4 C 6 -3.412 2.745 -1.956 64 2H4 C 6 2H4 C 6 -3.406 2.846 -3.702 65 H5 C 6 H5 C 6 -1.431 2.328 -0.651 66 H6 C 6 H6 C 6 0.979 1.899 -0.739 67 1H5* A 7 1H5* A 7 6.222 7.924 -2.637 68 2H5* A 7 2H5* A 7 4.638 7.673 -1.878 69 H4* A 7 H4* A 7 5.609 6.660 -4.573 70 H3* A 7 H3* A 7 3.399 8.480 -3.567 71 H2* A 7 1H2* A 7 2.027 7.819 -5.352 72 2HO* A 7 2HO* A 7 4.422 6.774 -6.502 73 H1* A 7 H1* A 7 2.708 5.144 -5.338 74 H8 A 7 H8 A 7 2.244 6.462 -1.823 75 1H6 A 7 1H6 A 7 -3.793 5.492 -2.533 76 2H6 A 7 2H6 A 7 -2.532 5.905 -1.395 77 H2 A 7 H2 A 7 -1.810 4.924 -6.524 78 1H5* C 8 1H5* C 8 2.595 11.610 -7.254 79 2H5* C 8 2H5* C 8 1.002 11.188 -6.591 80 H4* C 8 H4* C 8 2.638 9.754 -8.684 81 H3* C 8 H3* C 8 -0.230 10.688 -8.327 82 H2* C 8 1H2* C 8 -0.932 9.022 -9.847 83 2HO* C 8 2HO* C 8 1.117 9.429 -11.179 84 H1* C 8 H1* C 8 0.620 7.010 -8.828 85 1H4 C 8 1H4 C 8 -4.503 7.672 -4.697 86 2H4 C 8 2H4 C 8 -5.179 6.830 -6.073 87 H5 C 8 H5 C 8 -2.269 8.556 -4.662 88 H6 C 8 H6 C 8 -0.195 8.836 -5.933 89 1H5* C 9 1H5* C 9 0.009 10.531 -12.523 90 2H5* C 9 2H5* C 9 -0.957 11.846 -13.224 91 H4* C 9 H4* C 9 -1.749 9.500 -13.801 92 H3* C 9 H3* C 9 -3.516 11.514 -12.375 93 H2* C 9 1H2* C 9 -5.304 10.000 -12.432 94 2HO* C 9 2HO* C 9 -5.046 9.348 -14.622 95 H1* C 9 H1* C 9 -3.840 7.717 -11.901 96 1H4 C 9 1H4 C 9 -5.124 10.468 -6.045 97 2H4 C 9 2H4 C 9 -6.575 9.573 -6.438 98 H5 C 9 H5 C 9 -3.303 10.772 -7.588 99 H6 C 9 H6 C 9 -2.464 10.263 -9.830 100 1H5* A 10 1H5* A 10 -7.865 11.705 -15.739 101 2H5* A 10 2H5* A 10 -7.244 12.834 -14.520 102 H4* A 10 H4* A 10 -8.511 10.130 -14.154 103 H3* A 10 H3* A 10 -8.645 12.880 -12.879 104 H2* A 10 1H2* A 10 -9.355 11.924 -10.858 105 2HO* A 10 2HO* A 10 -10.270 9.929 -10.709 106 H1* A 10 H1* A 10 -7.710 9.708 -10.921 107 H8 A 10 H8 A 10 -5.495 12.452 -11.926 108 1H6 A 10 1H6 A 10 -5.297 14.382 -6.086 109 2H6 A 10 2H6 A 10 -4.579 14.540 -7.673 110 H2 A 10 H2 A 10 -8.605 11.364 -6.448 111 1H5* U 11 1H5* U 11 -11.843 11.233 -11.204 112 2H5* U 11 2H5* U 11 -13.275 11.906 -12.009 113 H4* U 11 H4* U 11 -13.593 11.830 -9.560 114 H3* U 11 H3* U 11 -14.221 13.955 -11.141 115 H2* U 11 1H2* U 11 -12.215 15.162 -10.897 116 2HO* U 11 2HO* U 11 -14.103 15.939 -8.956 117 H1* U 11 H1* U 11 -12.088 14.641 -7.933 118 H3 U 11 H3 U 11 -8.004 16.465 -7.709 119 H5 U 11 H5 U 11 -7.946 14.573 -11.472 120 H6 U 11 H6 U 11 -10.237 13.879 -11.088 121 1H5* U 12 1H5* U 12 -17.979 13.817 -7.485 122 2H5* U 12 2H5* U 12 -17.900 15.221 -6.408 123 H4* U 12 H4* U 12 -16.554 12.680 -6.189 124 H3* U 12 H3* U 12 -17.680 14.502 -4.510 125 H2* U 12 1H2* U 12 -16.118 16.199 -4.690 126 2HO* U 12 2HO* U 12 -14.397 14.952 -2.933 127 H1* U 12 H1* U 12 -13.745 14.353 -4.694 128 H3 U 12 H3 U 12 -11.203 17.949 -5.523 129 H5 U 12 H5 U 12 -14.482 18.519 -8.106 130 H6 U 12 H6 U 12 -15.479 16.511 -7.182 131 1H5* A 13 1H5* A 13 -18.385 11.361 -5.264 132 2H5* A 13 2H5* A 13 -19.250 10.020 -4.485 133 H4* A 13 H4* A 13 -17.960 8.930 -6.118 134 H3* A 13 H3* A 13 -17.288 8.507 -3.449 135 H2* A 13 1H2* A 13 -15.278 9.652 -3.396 136 2HO* A 13 2HO* A 13 -14.037 7.972 -3.166 137 H1* A 13 H1* A 13 -14.587 8.993 -6.251 138 H8 A 13 H8 A 13 -15.082 11.925 -3.773 139 1H6 A 13 1H6 A 13 -9.651 13.982 -5.800 140 2H6 A 13 2H6 A 13 -10.942 14.242 -4.647 141 H2 A 13 H2 A 13 -10.746 10.327 -8.161 142 1H5* G 14 1H5* G 14 -16.522 4.126 -6.162 143 2H5* G 14 2H5* G 14 -14.836 3.573 -6.006 144 H4* G 14 H4* G 14 -16.024 5.337 -7.936 145 H3* G 14 H3* G 14 -13.218 4.376 -7.300 146 H2* G 14 1H2* G 14 -12.353 5.882 -8.854 147 2HO* G 14 2HO* G 14 -13.745 7.007 -10.343 148 H1* G 14 H1* G 14 -14.035 7.990 -8.297 149 H8 G 14 H8 G 14 -13.219 7.365 -4.985 150 H1 G 14 H1 G 14 -7.749 8.392 -8.088 151 1H2 G 14 1H2 G 14 -9.635 7.748 -10.947 152 2H2 G 14 2H2 G 14 -8.074 8.146 -10.268 153 1H5* G 15 1H5* G 15 -13.303 3.001 -11.526 154 2H5* G 15 2H5* G 15 -12.680 1.331 -11.507 155 H4* G 15 H4* G 15 -11.386 2.878 -12.984 156 H3* G 15 H3* G 15 -10.049 1.767 -10.494 157 H2* G 15 1H2* G 15 -8.032 2.780 -11.158 158 2HO* G 15 2HO* G 15 -7.908 3.830 -13.268 159 H1* G 15 H1* G 15 -9.127 5.163 -11.959 160 H8 G 15 H8 G 15 -10.961 4.346 -8.865 161 H1 G 15 H1 G 15 -4.917 5.905 -7.590 162 1H2 G 15 1H2 G 15 -4.420 5.530 -11.017 163 2H2 G 15 2H2 G 15 -3.723 5.909 -9.458 164 1H5* G 16 1H5* G 16 -7.650 1.436 -13.762 165 2H5* G 16 2H5* G 16 -6.841 -0.137 -13.986 166 H4* G 16 H4* G 16 -5.333 1.869 -14.186 167 H3* G 16 H3* G 16 -4.924 -0.124 -11.934 168 H2* G 16 1H2* G 16 -2.999 1.038 -11.273 169 2HO* G 16 2HO* G 16 -2.380 1.318 -13.632 170 H1* G 16 H1* G 16 -3.984 3.584 -11.685 171 H8 G 16 H8 G 16 -6.735 1.890 -9.959 172 H1 G 16 H1 G 16 -1.803 2.695 -6.008 173 1H2 G 16 1H2 G 16 0.007 3.399 -8.904 174 2H2 G 16 2H2 G 16 0.014 3.232 -7.163 175 1H5* A 17 1H5* A 17 -1.242 -0.284 -13.790 176 2H5* A 17 2H5* A 17 -0.618 -1.938 -13.953 177 H4* A 17 H4* A 17 0.935 -0.596 -12.621 178 H3* A 17 H3* A 17 -0.680 -2.707 -11.160 179 H2* A 17 1H2* A 17 0.466 -2.214 -9.172 180 2HO* A 17 2HO* A 17 2.442 -1.372 -9.124 181 H1* A 17 H1* A 17 0.480 0.521 -9.465 182 H8 A 17 H8 A 17 -2.874 -0.807 -10.532 183 1H6 A 17 1H6 A 17 -4.457 -0.946 -4.587 184 2H6 A 17 2H6 A 17 -5.042 -1.073 -6.232 185 H2 A 17 H2 A 17 -0.036 -0.191 -4.832 186 1H5* U 18 1H5* U 18 3.339 -3.089 -10.124 187 2H5* U 18 2H5* U 18 3.921 -4.766 -10.189 188 H4* U 18 H4* U 18 4.537 -3.818 -8.039 189 H3* U 18 H3* U 18 2.238 -5.796 -8.008 190 H2* U 18 1H2* U 18 2.123 -5.642 -5.670 191 2HO* U 18 2HO* U 18 4.742 -5.274 -5.856 192 H1* U 18 H1* U 18 2.547 -2.920 -5.492 193 H3 U 18 H3 U 18 -1.747 -3.397 -4.167 194 H5 U 18 H5 U 18 -1.883 -4.189 -8.303 195 H6 U 18 H6 U 18 0.538 -4.078 -8.339 196 1H5* C 19 1H5* C 19 4.925 -7.721 -5.461 197 2H5* C 19 2H5* C 19 5.020 -9.470 -5.756 198 H4* C 19 H4* C 19 4.264 -9.073 -3.468 199 H3* C 19 H3* C 19 2.180 -10.085 -5.429 200 H2* C 19 1H2* C 19 0.614 -10.219 -3.691 201 2HO* C 19 2HO* C 19 1.155 -10.319 -1.566 202 H1* C 19 H1* C 19 1.338 -7.878 -2.413 203 1H4 C 19 1H4 C 19 -2.776 -6.472 -7.422 204 2H4 C 19 2H4 C 19 -3.773 -6.558 -5.986 205 H5 C 19 H5 C 19 -0.421 -6.980 -7.424 206 H6 C 19 H6 C 19 1.481 -7.694 -6.056 207 1H5* U 20 1H5* U 20 1.999 -12.848 -2.149 208 2H5* U 20 2H5* U 20 1.618 -14.474 -2.754 209 H4* U 20 H4* U 20 -0.076 -13.640 -1.124 210 H3* U 20 H3* U 20 -0.883 -14.098 -4.015 211 H2* U 20 1H2* U 20 -3.108 -13.602 -3.453 212 2HO* U 20 2HO* U 20 -3.577 -13.243 -1.094 213 H1* U 20 H1* U 20 -2.550 -11.509 -1.739 214 H3 U 20 H3 U 20 -4.603 -9.518 -5.247 215 H5 U 20 H5 U 20 -0.865 -10.673 -6.802 216 H6 U 20 H6 U 20 -0.417 -11.816 -4.711 217 1H5* C 21 1H5* C 21 -3.724 -16.021 -1.605 218 2H5* C 21 2H5* C 21 -4.242 -17.569 -2.305 219 H4* C 21 H4* C 21 -6.174 -16.082 -1.905 220 H3* C 21 H3* C 21 -5.391 -16.681 -4.779 221 H2* C 21 1H2* C 21 -7.260 -15.476 -5.529 222 2HO* C 21 2HO* C 21 -8.232 -15.267 -2.858 223 H1* C 21 H1* C 21 -7.112 -13.435 -3.667 224 1H4 C 21 1H4 C 21 -3.039 -12.112 -8.734 225 2H4 C 21 2H4 C 21 -4.447 -11.098 -8.951 226 H5 C 21 H5 C 21 -2.847 -13.744 -6.974 227 H6 C 21 H6 C 21 -3.958 -14.755 -5.040 228 H3T C 21 H3T C 21 -7.466 -17.903 -4.418 Start of MODEL 7 1 1H5* G 1 1H5* G 1 -15.092 -7.319 -8.595 2 2H5* G 1 2H5* G 1 -13.719 -8.228 -9.278 3 H4* G 1 H4* G 1 -16.158 -9.502 -7.967 4 H3* G 1 H3* G 1 -13.550 -8.504 -6.786 5 H2* G 1 1H2* G 1 -13.503 -10.352 -5.331 6 2HO* G 1 2HO* G 1 -16.199 -10.842 -6.150 7 H1* G 1 H1* G 1 -14.296 -12.232 -7.169 8 H8 G 1 H8 G 1 -11.986 -10.277 -9.195 9 H1 G 1 H1 G 1 -8.804 -13.223 -4.522 10 1H2 G 1 1H2 G 1 -11.955 -13.769 -3.137 11 2H2 G 1 2H2 G 1 -10.226 -13.986 -2.999 12 H5T G 1 H5T G 1 -15.423 -7.625 -10.786 13 1H5* G 2 1H5* G 2 -15.508 -9.895 -3.496 14 2H5* G 2 2H5* G 2 -15.884 -8.496 -2.457 15 H4* G 2 H4* G 2 -15.016 -10.248 -1.053 16 H3* G 2 H3* G 2 -12.927 -8.161 -1.756 17 H2* G 2 1H2* G 2 -11.403 -9.251 -0.324 18 2HO* G 2 2HO* G 2 -12.177 -11.085 0.971 19 H1* G 2 H1* G 2 -12.025 -11.802 -1.121 20 H8 G 2 H8 G 2 -12.050 -9.615 -4.165 21 H1 G 2 H1 G 2 -6.131 -10.978 -2.239 22 1H2 G 2 1H2 G 2 -7.676 -12.184 0.645 23 2H2 G 2 2H2 G 2 -6.182 -11.901 -0.221 24 1H5* G 3 1H5* G 3 -12.497 -8.551 2.143 25 2H5* G 3 2H5* G 3 -12.332 -7.017 3.037 26 H4* G 3 H4* G 3 -10.408 -8.530 3.397 27 H3* G 3 H3* G 3 -9.917 -6.044 1.720 28 H2* G 3 1H2* G 3 -7.627 -6.573 1.682 29 2HO* G 3 2HO* G 3 -8.162 -8.562 3.667 30 H1* G 3 H1* G 3 -7.949 -9.298 1.349 31 H8 G 3 H8 G 3 -10.360 -7.628 -0.953 32 H1 G 3 H1 G 3 -4.365 -7.156 -3.066 33 1H2 G 3 1H2 G 3 -3.484 -8.272 0.117 34 2H2 G 3 2H2 G 3 -2.948 -7.755 -1.466 35 1H5* A 4 1H5* A 4 -7.236 -5.639 5.343 36 2H5* A 4 2H5* A 4 -6.929 -3.906 5.580 37 H4* A 4 H4* A 4 -4.856 -5.331 5.210 38 H3* A 4 H3* A 4 -5.567 -3.046 3.331 39 H2* A 4 1H2* A 4 -3.470 -3.360 2.280 40 2HO* A 4 2HO* A 4 -2.407 -5.431 3.594 41 H1* A 4 H1* A 4 -3.631 -6.093 2.184 42 H8 A 4 H8 A 4 -7.039 -4.618 1.512 43 1H6 A 4 1H6 A 4 -5.228 -3.660 -4.295 44 2H6 A 4 2H6 A 4 -6.590 -3.643 -3.197 45 H2 A 4 H2 A 4 -1.636 -4.904 -1.902 46 1H5* U 5 1H5* U 5 -1.546 -2.408 4.731 47 2H5* U 5 2H5* U 5 -1.127 -0.683 4.692 48 H4* U 5 H4* U 5 0.294 -2.248 3.231 49 H3* U 5 H3* U 5 -1.171 0.178 2.138 50 H2* U 5 1H2* U 5 -0.151 -0.195 0.055 51 2HO* U 5 2HO* U 5 1.529 -2.133 1.315 52 H1* U 5 H1* U 5 -0.374 -2.950 0.087 53 H3 U 5 H3 U 5 -2.958 -1.250 -3.290 54 H5 U 5 H5 U 5 -5.286 -0.828 0.197 55 H6 U 5 H6 U 5 -3.346 -1.485 1.496 56 1H5* C 6 1H5* C 6 3.014 0.142 1.071 57 2H5* C 6 2H5* C 6 3.717 1.771 1.126 58 H4* C 6 H4* C 6 4.233 0.647 -1.013 59 H3* C 6 H3* C 6 2.340 3.019 -1.059 60 H2* C 6 1H2* C 6 2.276 2.906 -3.399 61 2HO* C 6 2HO* C 6 3.968 0.909 -3.992 62 H1* C 6 H1* C 6 2.217 0.150 -3.598 63 1H4 C 6 1H4 C 6 -3.930 2.414 -2.543 64 2H4 C 6 2H4 C 6 -3.807 2.122 -4.264 65 H5 C 6 H5 C 6 -2.076 2.170 -1.029 66 H6 C 6 H6 C 6 0.297 1.598 -0.831 67 1H5* A 7 1H5* A 7 5.738 3.935 -3.921 68 2H5* A 7 2H5* A 7 6.101 5.652 -3.653 69 H4* A 7 H4* A 7 5.778 5.205 -6.052 70 H3* A 7 H3* A 7 3.663 6.833 -4.609 71 H2* A 7 1H2* A 7 2.513 7.149 -6.629 72 2HO* A 7 2HO* A 7 4.209 7.681 -7.999 73 H1* A 7 H1* A 7 2.877 4.604 -7.633 74 H8 A 7 H8 A 7 2.020 4.818 -3.911 75 1H6 A 7 1H6 A 7 -3.891 4.590 -5.612 76 2H6 A 7 2H6 A 7 -2.786 4.552 -4.256 77 H2 A 7 H2 A 7 -1.389 5.001 -9.323 78 1H5* C 8 1H5* C 8 3.941 11.124 -6.925 79 2H5* C 8 2H5* C 8 2.289 11.063 -6.282 80 H4* C 8 H4* C 8 3.350 10.138 -8.902 81 H3* C 8 H3* C 8 0.733 11.157 -7.751 82 H2* C 8 1H2* C 8 -0.425 10.242 -9.581 83 2HO* C 8 2HO* C 8 2.093 9.682 -10.811 84 H1* C 8 H1* C 8 0.946 7.864 -9.685 85 1H4 C 8 1H4 C 8 -3.492 7.317 -4.808 86 2H4 C 8 2H4 C 8 -4.460 7.209 -6.260 87 H5 C 8 H5 C 8 -1.140 7.810 -4.828 88 H6 C 8 H6 C 8 0.783 8.392 -6.230 89 1H5* C 9 1H5* C 9 0.593 12.574 -11.906 90 2H5* C 9 2H5* C 9 -0.540 13.940 -11.954 91 H4* C 9 H4* C 9 -1.178 11.722 -13.187 92 H3* C 9 H3* C 9 -2.956 13.301 -11.300 93 H2* C 9 1H2* C 9 -4.706 11.793 -11.703 94 2HO* C 9 2HO* C 9 -3.277 11.304 -14.054 95 H1* C 9 H1* C 9 -3.176 9.491 -11.752 96 1H4 C 9 1H4 C 9 -4.549 10.831 -5.422 97 2H4 C 9 2H4 C 9 -5.923 9.914 -5.999 98 H5 C 9 H5 C 9 -2.768 11.583 -6.857 99 H6 C 9 H6 C 9 -1.913 11.614 -9.153 100 1H5* A 10 1H5* A 10 -5.785 12.626 -14.082 101 2H5* A 10 2H5* A 10 -6.954 13.960 -13.993 102 H4* A 10 H4* A 10 -7.698 11.677 -13.035 103 H3* A 10 H3* A 10 -7.795 14.311 -11.530 104 H2* A 10 1H2* A 10 -8.786 13.234 -9.685 105 2HO* A 10 2HO* A 10 -9.529 11.042 -9.852 106 H1* A 10 H1* A 10 -7.224 10.974 -9.743 107 H8 A 10 H8 A 10 -4.970 13.866 -10.463 108 1H6 A 10 1H6 A 10 -4.866 15.062 -4.425 109 2H6 A 10 2H6 A 10 -4.144 15.436 -5.973 110 H2 A 10 H2 A 10 -8.084 12.019 -5.189 111 1H5* U 11 1H5* U 11 -11.145 12.498 -10.577 112 2H5* U 11 2H5* U 11 -12.549 13.276 -11.337 113 H4* U 11 H4* U 11 -13.051 12.664 -9.004 114 H3* U 11 H3* U 11 -13.626 15.075 -10.140 115 H2* U 11 1H2* U 11 -11.735 16.255 -9.439 116 2HO* U 11 2HO* U 11 -13.758 17.125 -8.416 117 H1* U 11 H1* U 11 -11.787 15.070 -6.672 118 H3 U 11 H3 U 11 -7.747 16.719 -5.687 119 H5 U 11 H5 U 11 -7.484 16.118 -9.848 120 H6 U 11 H6 U 11 -9.759 15.284 -9.808 121 1H5* U 12 1H5* U 12 -17.475 15.311 -6.122 122 2H5* U 12 2H5* U 12 -15.860 15.704 -6.733 123 H4* U 12 H4* U 12 -16.061 12.934 -5.832 124 H3* U 12 H3* U 12 -17.556 14.557 -4.236 125 H2* U 12 1H2* U 12 -15.977 16.189 -3.780 126 2HO* U 12 2HO* U 12 -15.333 14.145 -1.885 127 H1* U 12 H1* U 12 -13.710 14.233 -3.471 128 H3 U 12 H3 U 12 -10.810 17.617 -3.238 129 H5 U 12 H5 U 12 -13.603 19.019 -6.063 130 H6 U 12 H6 U 12 -14.852 16.967 -5.752 131 1H5* A 13 1H5* A 13 -18.987 10.870 -6.701 132 2H5* A 13 2H5* A 13 -19.022 10.021 -5.144 133 H4* A 13 H4* A 13 -17.189 9.547 -7.134 134 H3* A 13 H3* A 13 -17.508 8.890 -4.317 135 H2* A 13 1H2* A 13 -15.477 9.682 -3.635 136 2HO* A 13 2HO* A 13 -14.679 7.576 -5.386 137 H1* A 13 H1* A 13 -14.379 9.700 -6.451 138 H8 A 13 H8 A 13 -15.007 11.917 -3.343 139 1H6 A 13 1H6 A 13 -9.228 13.873 -4.101 140 2H6 A 13 2H6 A 13 -10.635 13.934 -3.062 141 H2 A 13 H2 A 13 -10.256 11.127 -7.500 142 1H5* G 14 1H5* G 14 -14.699 4.254 -6.370 143 2H5* G 14 2H5* G 14 -14.631 5.670 -5.288 144 H4* G 14 H4* G 14 -15.565 6.136 -8.098 145 H3* G 14 H3* G 14 -12.799 5.124 -7.379 146 H2* G 14 1H2* G 14 -11.830 6.635 -8.870 147 2HO* G 14 2HO* G 14 -13.798 7.920 -10.063 148 H1* G 14 H1* G 14 -13.456 8.786 -8.319 149 H8 G 14 H8 G 14 -12.865 7.874 -4.986 150 H1 G 14 H1 G 14 -7.220 9.089 -7.680 151 1H2 G 14 1H2 G 14 -8.955 8.785 -10.689 152 2H2 G 14 2H2 G 14 -7.428 9.083 -9.890 153 1H5* G 15 1H5* G 15 -12.937 4.884 -11.451 154 2H5* G 15 2H5* G 15 -12.795 3.228 -12.096 155 H4* G 15 H4* G 15 -11.344 4.659 -13.381 156 H3* G 15 H3* G 15 -9.896 3.050 -11.257 157 H2* G 15 1H2* G 15 -7.841 3.926 -11.990 158 2HO* G 15 2HO* G 15 -9.146 5.168 -14.201 159 H1* G 15 H1* G 15 -8.699 6.511 -12.342 160 H8 G 15 H8 G 15 -10.291 5.226 -9.209 161 H1 G 15 H1 G 15 -4.131 6.629 -8.368 162 1H2 G 15 1H2 G 15 -4.029 6.857 -11.847 163 2H2 G 15 2H2 G 15 -3.158 6.975 -10.335 164 1H5* G 16 1H5* G 16 -7.476 2.832 -14.227 165 2H5* G 16 2H5* G 16 -7.310 1.182 -14.883 166 H4* G 16 H4* G 16 -5.105 2.128 -14.662 167 H3* G 16 H3* G 16 -5.824 0.274 -12.364 168 H2* G 16 1H2* G 16 -3.635 0.519 -11.543 169 2HO* G 16 2HO* G 16 -2.814 0.455 -13.889 170 H1* G 16 H1* G 16 -3.421 3.226 -12.055 171 H8 G 16 H8 G 16 -6.788 2.823 -10.599 172 H1 G 16 H1 G 16 -2.272 1.994 -6.176 173 1H2 G 16 1H2 G 16 -0.089 1.776 -8.887 174 2H2 G 16 2H2 G 16 -0.296 1.727 -7.150 175 1H5* A 17 1H5* A 17 -2.509 -1.503 -14.275 176 2H5* A 17 2H5* A 17 -2.262 -3.229 -13.937 177 H4* A 17 H4* A 17 -0.547 -1.626 -12.918 178 H3* A 17 H3* A 17 -2.179 -3.581 -11.269 179 H2* A 17 1H2* A 17 -0.995 -2.934 -9.350 180 2HO* A 17 2HO* A 17 0.986 -2.040 -9.396 181 H1* A 17 H1* A 17 -0.876 -0.232 -9.924 182 H8 A 17 H8 A 17 -4.361 -1.284 -10.667 183 1H6 A 17 1H6 A 17 -5.514 -1.276 -4.618 184 2H6 A 17 2H6 A 17 -6.227 -1.359 -6.212 185 H2 A 17 H2 A 17 -1.072 -0.936 -5.191 186 1H5* U 18 1H5* U 18 1.925 -3.716 -10.538 187 2H5* U 18 2H5* U 18 2.633 -5.344 -10.578 188 H4* U 18 H4* U 18 3.517 -4.234 -8.632 189 H3* U 18 H3* U 18 1.306 -6.228 -8.052 190 H2* U 18 1H2* U 18 1.590 -5.865 -5.744 191 2HO* U 18 2HO* U 18 3.621 -5.670 -5.153 192 H1* U 18 H1* U 18 1.844 -3.137 -5.885 193 H3 U 18 H3 U 18 -2.237 -3.701 -4.011 194 H5 U 18 H5 U 18 -2.792 -4.938 -7.999 195 H6 U 18 H6 U 18 -0.407 -4.682 -8.344 196 1H5* C 19 1H5* C 19 4.368 -7.500 -5.770 197 2H5* C 19 2H5* C 19 4.540 -9.249 -5.527 198 H4* C 19 H4* C 19 4.040 -8.106 -3.398 199 H3* C 19 H3* C 19 1.874 -9.881 -4.579 200 H2* C 19 1H2* C 19 0.607 -9.557 -2.623 201 2HO* C 19 2HO* C 19 2.950 -8.385 -1.473 202 H1* C 19 H1* C 19 1.183 -6.868 -2.337 203 1H4 C 19 1H4 C 19 -3.781 -7.480 -6.680 204 2H4 C 19 2H4 C 19 -4.544 -7.296 -5.117 205 H5 C 19 H5 C 19 -1.399 -7.692 -6.969 206 H6 C 19 H6 C 19 0.766 -7.766 -5.825 207 1H5* U 20 1H5* U 20 2.178 -11.034 -0.823 208 2H5* U 20 2H5* U 20 2.195 -12.789 -0.553 209 H4* U 20 H4* U 20 0.357 -11.817 0.711 210 H3* U 20 H3* U 20 -0.425 -13.357 -1.787 211 H2* U 20 1H2* U 20 -2.686 -13.057 -1.239 212 2HO* U 20 2HO* U 20 -3.306 -12.223 0.837 213 H1* U 20 H1* U 20 -2.457 -10.449 -0.350 214 H3 U 20 H3 U 20 -5.007 -10.279 -4.105 215 H5 U 20 H5 U 20 -1.097 -10.904 -5.537 216 H6 U 20 H6 U 20 -0.372 -11.209 -3.244 217 1H5* C 21 1H5* C 21 -2.876 -14.631 1.370 218 2H5* C 21 2H5* C 21 -2.764 -16.395 1.531 219 H4* C 21 H4* C 21 -5.097 -15.884 1.586 220 H3* C 21 H3* C 21 -4.156 -16.848 -1.135 221 H2* C 21 1H2* C 21 -6.363 -16.745 -1.925 222 2HO* C 21 2HO* C 21 -7.764 -17.521 -0.526 223 H1* C 21 H1* C 21 -7.073 -14.406 -0.630 224 1H4 C 21 1H4 C 21 -3.962 -12.991 -6.323 225 2H4 C 21 2H4 C 21 -5.659 -12.655 -6.581 226 H5 C 21 H5 C 21 -3.097 -13.921 -4.274 227 H6 C 21 H6 C 21 -3.674 -14.737 -2.038 228 H3T C 21 H3T C 21 -5.427 -17.927 1.170 Start of MODEL 8 1 1H5* G 1 1H5* G 1 -14.514 -4.548 -8.798 2 2H5* G 1 2H5* G 1 -13.518 -5.647 -9.788 3 H4* G 1 H4* G 1 -16.206 -6.512 -8.686 4 H3* G 1 H3* G 1 -13.585 -6.221 -7.189 5 H2* G 1 1H2* G 1 -13.995 -8.246 -6.066 6 2HO* G 1 2HO* G 1 -16.393 -9.007 -7.023 7 H1* G 1 H1* G 1 -14.964 -9.635 -8.233 8 H8 G 1 H8 G 1 -12.187 -8.049 -9.880 9 H1 G 1 H1 G 1 -9.966 -11.898 -5.309 10 1H2 G 1 1H2 G 1 -13.244 -11.878 -4.124 11 2H2 G 1 2H2 G 1 -11.605 -12.455 -3.921 12 H5T G 1 H5T G 1 -15.991 -4.452 -10.346 13 1H5* G 2 1H5* G 2 -15.724 -7.864 -4.255 14 2H5* G 2 2H5* G 2 -16.093 -6.546 -3.113 15 H4* G 2 H4* G 2 -15.405 -8.416 -1.795 16 H3* G 2 H3* G 2 -13.135 -6.470 -2.297 17 H2* G 2 1H2* G 2 -11.699 -7.781 -0.985 18 2HO* G 2 2HO* G 2 -12.412 -8.883 0.677 19 H1* G 2 H1* G 2 -12.584 -10.240 -1.874 20 H8 G 2 H8 G 2 -12.287 -7.911 -4.805 21 H1 G 2 H1 G 2 -6.633 -10.154 -2.910 22 1H2 G 2 1H2 G 2 -8.363 -11.292 -0.107 23 2H2 G 2 2H2 G 2 -6.833 -11.167 -0.947 24 1H5* G 3 1H5* G 3 -11.941 -4.333 2.537 25 2H5* G 3 2H5* G 3 -11.291 -4.417 0.878 26 H4* G 3 H4* G 3 -10.930 -6.347 3.214 27 H3* G 3 H3* G 3 -9.139 -4.557 1.545 28 H2* G 3 1H2* G 3 -7.358 -6.064 1.830 29 2HO* G 3 2HO* G 3 -7.617 -6.488 4.053 30 H1* G 3 H1* G 3 -8.822 -8.365 1.482 31 H8 G 3 H8 G 3 -10.235 -6.283 -1.153 32 H1 G 3 H1 G 3 -4.132 -7.581 -2.446 33 1H2 G 3 1H2 G 3 -3.962 -8.605 0.881 34 2H2 G 3 2H2 G 3 -3.127 -8.388 -0.641 35 1H5* A 4 1H5* A 4 -6.864 -4.656 5.045 36 2H5* A 4 2H5* A 4 -6.103 -3.091 5.397 37 H4* A 4 H4* A 4 -4.426 -4.860 4.904 38 H3* A 4 H3* A 4 -4.737 -2.516 3.005 39 H2* A 4 1H2* A 4 -2.938 -3.310 1.723 40 2HO* A 4 2HO* A 4 -2.378 -4.938 3.994 41 H1* A 4 H1* A 4 -3.611 -5.976 1.818 42 H8 A 4 H8 A 4 -6.767 -4.017 1.326 43 1H6 A 4 1H6 A 4 -5.320 -3.536 -4.638 44 2H6 A 4 2H6 A 4 -6.575 -3.297 -3.442 45 H2 A 4 H2 A 4 -1.742 -5.168 -2.465 46 1H5* U 5 1H5* U 5 -0.532 -2.686 4.248 47 2H5* U 5 2H5* U 5 0.150 -1.048 4.311 48 H4* U 5 H4* U 5 1.400 -2.628 2.792 49 H3* U 5 H3* U 5 0.076 -0.120 1.710 50 H2* U 5 1H2* U 5 0.975 -0.569 -0.410 51 2HO* U 5 2HO* U 5 2.727 -1.827 -0.744 52 H1* U 5 H1* U 5 0.599 -3.308 -0.358 53 H3 U 5 H3 U 5 -2.122 -1.687 -3.626 54 H5 U 5 H5 U 5 -4.101 -0.723 -0.032 55 H6 U 5 H6 U 5 -2.138 -1.473 1.177 56 1H5* C 6 1H5* C 6 3.862 -0.374 -0.020 57 2H5* C 6 2H5* C 6 4.777 1.080 0.426 58 H4* C 6 H4* C 6 5.123 0.835 -1.914 59 H3* C 6 H3* C 6 2.915 2.818 -1.280 60 H2* C 6 1H2* C 6 2.672 3.277 -3.564 61 2HO* C 6 2HO* C 6 5.144 3.192 -3.778 62 H1* C 6 H1* C 6 2.987 0.680 -4.461 63 1H4 C 6 1H4 C 6 -3.298 1.661 -2.564 64 2H4 C 6 2H4 C 6 -3.302 1.637 -4.313 65 H5 C 6 H5 C 6 -1.289 1.513 -1.246 66 H6 C 6 H6 C 6 1.150 1.303 -1.318 67 1H5* A 7 1H5* A 7 5.628 7.745 -1.816 68 2H5* A 7 2H5* A 7 4.052 7.048 -1.391 69 H4* A 7 H4* A 7 5.595 6.667 -3.989 70 H3* A 7 H3* A 7 3.030 8.061 -3.165 71 H2* A 7 1H2* A 7 2.065 7.553 -5.241 72 2HO* A 7 2HO* A 7 3.272 6.902 -7.022 73 H1* A 7 H1* A 7 3.093 4.997 -5.476 74 H8 A 7 H8 A 7 1.878 5.542 -1.957 75 1H6 A 7 1H6 A 7 -3.805 4.281 -3.967 76 2H6 A 7 2H6 A 7 -2.810 4.544 -2.552 77 H2 A 7 H2 A 7 -1.129 4.731 -7.546 78 1H5* C 8 1H5* C 8 2.164 11.839 -6.584 79 2H5* C 8 2H5* C 8 1.353 10.500 -5.746 80 H4* C 8 H4* C 8 2.466 10.265 -8.568 81 H3* C 8 H3* C 8 -0.249 11.147 -7.542 82 H2* C 8 1H2* C 8 -1.301 9.982 -9.286 83 2HO* C 8 2HO* C 8 0.451 10.765 -10.823 84 H1* C 8 H1* C 8 0.343 7.760 -9.255 85 1H4 C 8 1H4 C 8 -4.167 6.823 -4.520 86 2H4 C 8 2H4 C 8 -5.011 6.423 -5.999 87 H5 C 8 H5 C 8 -1.958 7.775 -4.479 88 H6 C 8 H6 C 8 -0.077 8.553 -5.841 89 1H5* C 9 1H5* C 9 -2.714 13.685 -11.207 90 2H5* C 9 2H5* C 9 -3.022 13.146 -9.543 91 H4* C 9 H4* C 9 -3.335 11.543 -12.108 92 H3* C 9 H3* C 9 -5.169 12.569 -9.920 93 H2* C 9 1H2* C 9 -6.553 10.695 -10.191 94 2HO* C 9 2HO* C 9 -6.832 9.842 -12.099 95 H1* C 9 H1* C 9 -4.546 8.832 -10.520 96 1H4 C 9 1H4 C 9 -5.202 9.789 -4.014 97 2H4 C 9 2H4 C 9 -6.582 8.799 -4.433 98 H5 C 9 H5 C 9 -3.712 10.736 -5.652 99 H6 C 9 H6 C 9 -3.210 10.925 -8.042 100 1H5* A 10 1H5* A 10 -8.189 11.982 -12.415 101 2H5* A 10 2H5* A 10 -9.526 13.060 -11.965 102 H4* A 10 H4* A 10 -9.671 10.577 -11.223 103 H3* A 10 H3* A 10 -10.031 12.983 -9.409 104 H2* A 10 1H2* A 10 -10.497 11.560 -7.598 105 2HO* A 10 2HO* A 10 -10.802 9.509 -9.564 106 H1* A 10 H1* A 10 -8.603 9.641 -8.173 107 H8 A 10 H8 A 10 -6.888 12.878 -8.719 108 1H6 A 10 1H6 A 10 -6.359 13.489 -2.614 109 2H6 A 10 2H6 A 10 -5.846 14.110 -4.168 110 H2 A 10 H2 A 10 -9.203 10.107 -3.438 111 1H5* U 11 1H5* U 11 -12.898 10.499 -8.330 112 2H5* U 11 2H5* U 11 -14.494 11.064 -8.865 113 H4* U 11 H4* U 11 -14.624 10.127 -6.591 114 H3* U 11 H3* U 11 -15.756 12.485 -7.345 115 H2* U 11 1H2* U 11 -14.027 13.932 -6.681 116 2HO* U 11 2HO* U 11 -15.971 14.440 -5.455 117 H1* U 11 H1* U 11 -13.577 12.468 -4.089 118 H3 U 11 H3 U 11 -9.927 14.932 -3.269 119 H5 U 11 H5 U 11 -9.748 14.403 -7.445 120 H6 U 11 H6 U 11 -11.838 13.181 -7.315 121 1H5* U 12 1H5* U 12 -19.047 10.293 -3.971 122 2H5* U 12 2H5* U 12 -19.255 11.225 -2.478 123 H4* U 12 H4* U 12 -17.342 9.166 -3.077 124 H3* U 12 H3* U 12 -18.723 10.047 -0.902 125 H2* U 12 1H2* U 12 -17.589 12.027 -0.511 126 2HO* U 12 2HO* U 12 -16.001 10.029 0.773 127 H1* U 12 H1* U 12 -14.876 10.878 -1.107 128 H3 U 12 H3 U 12 -13.214 15.020 -0.769 129 H5 U 12 H5 U 12 -16.790 15.638 -2.909 130 H6 U 12 H6 U 12 -17.251 13.266 -2.698 131 1H5* A 13 1H5* A 13 -18.829 7.498 -2.551 132 2H5* A 13 2H5* A 13 -19.418 5.825 -2.465 133 H4* A 13 H4* A 13 -17.952 5.701 -4.273 134 H3* A 13 H3* A 13 -17.063 4.510 -1.890 135 H2* A 13 1H2* A 13 -15.262 5.893 -1.455 136 2HO* A 13 2HO* A 13 -14.039 4.165 -1.945 137 H1* A 13 H1* A 13 -14.769 6.482 -4.370 138 H8 A 13 H8 A 13 -15.505 8.187 -0.976 139 1H6 A 13 1H6 A 13 -10.655 11.762 -2.225 140 2H6 A 13 2H6 A 13 -11.872 11.367 -1.032 141 H2 A 13 H2 A 13 -11.333 9.024 -5.718 142 1H5* G 14 1H5* G 14 -14.122 1.196 -5.676 143 2H5* G 14 2H5* G 14 -13.990 2.329 -4.305 144 H4* G 14 H4* G 14 -15.553 3.160 -6.750 145 H3* G 14 H3* G 14 -12.553 2.732 -6.618 146 H2* G 14 1H2* G 14 -12.194 4.716 -7.788 147 2HO* G 14 2HO* G 14 -14.987 4.744 -8.402 148 H1* G 14 H1* G 14 -14.141 6.229 -6.573 149 H8 G 14 H8 G 14 -12.895 5.025 -3.601 150 H1 G 14 H1 G 14 -8.009 7.737 -6.661 151 1H2 G 14 1H2 G 14 -10.037 7.425 -9.484 152 2H2 G 14 2H2 G 14 -8.505 7.945 -8.818 153 1H5* G 15 1H5* G 15 -13.228 2.506 -10.973 154 2H5* G 15 2H5* G 15 -12.527 0.989 -11.593 155 H4* G 15 H4* G 15 -11.714 2.940 -12.855 156 H3* G 15 H3* G 15 -9.746 1.594 -10.979 157 H2* G 15 1H2* G 15 -8.054 3.054 -11.707 158 2HO* G 15 2HO* G 15 -9.853 3.787 -13.806 159 H1* G 15 H1* G 15 -9.577 5.337 -11.748 160 H8 G 15 H8 G 15 -10.640 3.581 -8.672 161 H1 G 15 H1 G 15 -4.758 5.952 -8.038 162 1H2 G 15 1H2 G 15 -4.898 6.400 -11.492 163 2H2 G 15 2H2 G 15 -3.970 6.569 -10.019 164 1H5* G 16 1H5* G 16 -7.392 2.480 -14.007 165 2H5* G 16 2H5* G 16 -6.897 0.969 -14.811 166 H4* G 16 H4* G 16 -4.935 2.331 -14.531 167 H3* G 16 H3* G 16 -5.197 0.181 -12.404 168 H2* G 16 1H2* G 16 -3.133 0.833 -11.511 169 2HO* G 16 2HO* G 16 -1.660 2.103 -12.628 170 H1* G 16 H1* G 16 -3.476 3.556 -11.820 171 H8 G 16 H8 G 16 -6.683 2.436 -10.433 172 H1 G 16 H1 G 16 -2.061 1.964 -6.074 173 1H2 G 16 1H2 G 16 0.103 2.367 -8.778 174 2H2 G 16 2H2 G 16 -0.077 2.130 -7.054 175 1H5* A 17 1H5* A 17 -2.938 -4.160 -13.512 176 2H5* A 17 2H5* A 17 -4.015 -3.083 -12.600 177 H4* A 17 H4* A 17 -1.221 -2.242 -13.429 178 H3* A 17 H3* A 17 -2.165 -3.823 -11.020 179 H2* A 17 1H2* A 17 -0.655 -2.646 -9.649 180 2HO* A 17 2HO* A 17 0.492 -1.553 -12.030 181 H1* A 17 H1* A 17 -1.088 -0.162 -10.743 182 H8 A 17 H8 A 17 -4.525 -1.124 -10.612 183 1H6 A 17 1H6 A 17 -4.483 -1.156 -4.461 184 2H6 A 17 2H6 A 17 -5.491 -1.170 -5.891 185 H2 A 17 H2 A 17 -0.220 -1.076 -5.878 186 1H5* U 18 1H5* U 18 1.746 -4.648 -10.925 187 2H5* U 18 2H5* U 18 2.247 -6.320 -10.599 188 H4* U 18 H4* U 18 2.997 -4.888 -8.773 189 H3* U 18 H3* U 18 0.668 -6.739 -8.182 190 H2* U 18 1H2* U 18 0.683 -6.038 -5.936 191 2HO* U 18 2HO* U 18 3.258 -5.005 -6.569 192 H1* U 18 H1* U 18 1.063 -3.366 -6.435 193 H3 U 18 H3 U 18 -3.175 -4.094 -4.817 194 H5 U 18 H5 U 18 -3.424 -4.758 -8.969 195 H6 U 18 H6 U 18 -1.005 -4.635 -9.068 196 1H5* C 19 1H5* C 19 3.810 -8.381 -5.649 197 2H5* C 19 2H5* C 19 3.799 -10.156 -5.637 198 H4* C 19 H4* C 19 3.480 -9.312 -3.363 199 H3* C 19 H3* C 19 1.082 -10.574 -4.722 200 H2* C 19 1H2* C 19 -0.174 -10.318 -2.750 201 2HO* C 19 2HO* C 19 2.167 -9.467 -1.363 202 H1* C 19 H1* C 19 0.716 -7.795 -2.123 203 1H4 C 19 1H4 C 19 -3.952 -7.214 -6.788 204 2H4 C 19 2H4 C 19 -4.796 -7.091 -5.260 205 H5 C 19 H5 C 19 -1.608 -7.721 -6.963 206 H6 C 19 H6 C 19 0.440 -8.222 -5.715 207 1H5* U 20 1H5* U 20 1.301 -12.729 -1.182 208 2H5* U 20 2H5* U 20 0.713 -14.393 -1.377 209 H4* U 20 H4* U 20 -0.720 -13.008 0.145 210 H3* U 20 H3* U 20 -1.829 -14.101 -2.459 211 H2* U 20 1H2* U 20 -3.945 -13.242 -1.932 212 2HO* U 20 2HO* U 20 -2.927 -13.230 0.700 213 H1* U 20 H1* U 20 -3.080 -10.849 -0.859 214 H3 U 20 H3 U 20 -5.321 -9.817 -4.679 215 H5 U 20 H5 U 20 -1.638 -11.361 -6.023 216 H6 U 20 H6 U 20 -1.121 -11.953 -3.729 217 1H5* C 21 1H5* C 21 -4.742 -14.996 0.687 218 2H5* C 21 2H5* C 21 -5.035 -16.742 0.559 219 H4* C 21 H4* C 21 -7.186 -15.667 0.690 220 H3* C 21 H3* C 21 -6.401 -16.557 -2.104 221 H2* C 21 1H2* C 21 -8.493 -15.858 -2.904 222 2HO* C 21 2HO* C 21 -9.904 -16.665 -1.406 223 H1* C 21 H1* C 21 -8.679 -13.554 -1.383 224 1H4 C 21 1H4 C 21 -5.107 -12.351 -6.846 225 2H4 C 21 2H4 C 21 -6.684 -11.643 -7.117 226 H5 C 21 H5 C 21 -4.550 -13.619 -4.875 227 H6 C 21 H6 C 21 -5.386 -14.492 -2.745 228 H3T C 21 H3T C 21 -8.537 -17.702 -0.822 Start of MODEL 9 1 1H5* G 1 1H5* G 1 -14.706 -10.191 -9.395 2 2H5* G 1 2H5* G 1 -14.696 -8.742 -8.355 3 H4* G 1 H4* G 1 -15.402 -10.869 -7.202 4 H3* G 1 H3* G 1 -12.867 -9.429 -6.363 5 H2* G 1 1H2* G 1 -12.566 -10.975 -4.615 6 2HO* G 1 2HO* G 1 -14.279 -12.583 -4.217 7 H1* G 1 H1* G 1 -13.237 -13.221 -6.046 8 H8 G 1 H8 G 1 -11.222 -11.434 -8.505 9 H1 G 1 H1 G 1 -7.573 -13.249 -3.605 10 1H2 G 1 1H2 G 1 -10.593 -13.839 -1.969 11 2H2 G 1 2H2 G 1 -8.846 -13.872 -1.897 12 H5T G 1 H5T G 1 -12.799 -8.592 -9.318 13 1H5* G 2 1H5* G 2 -14.644 -10.438 -2.927 14 2H5* G 2 2H5* G 2 -15.153 -8.987 -2.024 15 H4* G 2 H4* G 2 -14.131 -10.495 -0.460 16 H3* G 2 H3* G 2 -12.215 -8.332 -1.399 17 H2* G 2 1H2* G 2 -10.624 -9.138 0.146 18 2HO* G 2 2HO* G 2 -11.387 -11.013 1.537 19 H1* G 2 H1* G 2 -11.045 -11.802 -0.374 20 H8 G 2 H8 G 2 -11.187 -9.876 -3.606 21 H1 G 2 H1 G 2 -5.215 -10.811 -1.592 22 1H2 G 2 1H2 G 2 -6.705 -11.866 1.377 23 2H2 G 2 2H2 G 2 -5.225 -11.580 0.489 24 1H5* G 3 1H5* G 3 -12.202 -7.626 2.760 25 2H5* G 3 2H5* G 3 -11.699 -5.952 3.107 26 H4* G 3 H4* G 3 -10.098 -7.880 3.742 27 H3* G 3 H3* G 3 -9.275 -5.578 1.933 28 H2* G 3 1H2* G 3 -7.070 -6.403 1.989 29 2HO* G 3 2HO* G 3 -7.362 -6.944 4.379 30 H1* G 3 H1* G 3 -7.757 -9.070 1.766 31 H8 G 3 H8 G 3 -9.928 -7.385 -0.695 32 H1 G 3 H1 G 3 -3.843 -7.290 -2.587 33 1H2 G 3 1H2 G 3 -3.135 -8.262 0.687 34 2H2 G 3 2H2 G 3 -2.516 -7.859 -0.899 35 1H5* A 4 1H5* A 4 -6.729 -3.964 5.480 36 2H5* A 4 2H5* A 4 -6.113 -2.511 4.667 37 H4* A 4 H4* A 4 -4.724 -4.874 4.919 38 H3* A 4 H3* A 4 -4.593 -2.625 2.888 39 H2* A 4 1H2* A 4 -2.924 -3.789 1.708 40 2HO* A 4 2HO* A 4 -1.496 -4.773 2.924 41 H1* A 4 H1* A 4 -4.066 -6.281 1.901 42 H8 A 4 H8 A 4 -7.050 -4.382 1.148 43 1H6 A 4 1H6 A 4 -5.035 -3.350 -4.579 44 2H6 A 4 2H6 A 4 -6.418 -3.279 -3.511 45 H2 A 4 H2 A 4 -1.583 -4.874 -2.140 46 1H5* U 5 1H5* U 5 -0.616 -3.067 3.776 47 2H5* U 5 2H5* U 5 0.214 -1.509 3.964 48 H4* U 5 H4* U 5 1.166 -2.889 2.111 49 H3* U 5 H3* U 5 -0.195 -0.245 1.504 50 H2* U 5 1H2* U 5 0.355 -0.475 -0.763 51 2HO* U 5 2HO* U 5 2.042 -2.675 -0.074 52 H1* U 5 H1* U 5 -0.120 -3.188 -0.964 53 H3 U 5 H3 U 5 -3.118 -0.838 -3.533 54 H5 U 5 H5 U 5 -4.762 -0.927 0.343 55 H6 U 5 H6 U 5 -2.658 -1.822 1.149 56 1H5* C 6 1H5* C 6 3.858 -0.532 -0.387 57 2H5* C 6 2H5* C 6 4.668 1.016 -0.072 58 H4* C 6 H4* C 6 4.884 0.374 -2.450 59 H3* C 6 H3* C 6 3.154 2.762 -1.735 60 H2* C 6 1H2* C 6 2.753 3.173 -4.010 61 2HO* C 6 2HO* C 6 4.386 2.919 -5.318 62 H1* C 6 H1* C 6 2.487 0.540 -4.799 63 1H4 C 6 1H4 C 6 -3.313 2.532 -2.286 64 2H4 C 6 2H4 C 6 -3.459 2.689 -4.023 65 H5 C 6 H5 C 6 -1.262 1.917 -1.184 66 H6 C 6 H6 C 6 1.087 1.303 -1.509 67 1H5* A 7 1H5* A 7 6.769 7.023 -2.838 68 2H5* A 7 2H5* A 7 5.163 6.733 -2.139 69 H4* A 7 H4* A 7 6.145 6.017 -4.926 70 H3* A 7 H3* A 7 4.014 7.822 -3.739 71 H2* A 7 1H2* A 7 2.654 7.473 -5.624 72 2HO* A 7 2HO* A 7 3.630 6.138 -7.420 73 H1* A 7 H1* A 7 3.131 4.776 -5.874 74 H8 A 7 H8 A 7 2.774 5.876 -2.250 75 1H6 A 7 1H6 A 7 -3.308 5.256 -2.960 76 2H6 A 7 2H6 A 7 -2.020 5.550 -1.814 77 H2 A 7 H2 A 7 -1.378 4.785 -6.991 78 1H5* C 8 1H5* C 8 2.806 11.264 -7.367 79 2H5* C 8 2H5* C 8 2.341 9.899 -6.332 80 H4* C 8 H4* C 8 3.335 9.297 -9.103 81 H3* C 8 H3* C 8 0.663 10.552 -8.393 82 H2* C 8 1H2* C 8 -0.379 9.174 -10.003 83 2HO* C 8 2HO* C 8 1.070 7.744 -11.309 84 H1* C 8 H1* C 8 0.955 6.873 -9.347 85 1H4 C 8 1H4 C 8 -3.719 7.732 -4.739 86 2H4 C 8 2H4 C 8 -4.593 7.115 -6.122 87 H5 C 8 H5 C 8 -1.391 8.333 -4.814 88 H6 C 8 H6 C 8 0.604 8.482 -6.225 89 1H5* C 9 1H5* C 9 0.544 10.406 -12.536 90 2H5* C 9 2H5* C 9 -0.164 11.900 -13.182 91 H4* C 9 H4* C 9 -1.424 9.829 -13.839 92 H3* C 9 H3* C 9 -2.745 11.963 -12.129 93 H2* C 9 1H2* C 9 -4.764 10.778 -12.233 94 2HO* C 9 2HO* C 9 -3.573 9.184 -14.288 95 H1* C 9 H1* C 9 -3.677 8.246 -12.001 96 1H4 C 9 1H4 C 9 -4.353 10.681 -5.890 97 2H4 C 9 2H4 C 9 -5.898 9.949 -6.261 98 H5 C 9 H5 C 9 -2.575 10.898 -7.500 99 H6 C 9 H6 C 9 -1.891 10.458 -9.810 100 1H5* A 10 1H5* A 10 -7.151 13.264 -15.170 101 2H5* A 10 2H5* A 10 -6.317 13.998 -13.785 102 H4* A 10 H4* A 10 -7.850 11.388 -13.911 103 H3* A 10 H3* A 10 -7.882 13.919 -12.235 104 H2* A 10 1H2* A 10 -8.685 12.705 -10.400 105 2HO* A 10 2HO* A 10 -9.990 11.328 -12.186 106 H1* A 10 H1* A 10 -7.153 10.445 -10.767 107 H8 A 10 H8 A 10 -4.720 13.097 -11.281 108 1H6 A 10 1H6 A 10 -4.794 14.377 -5.261 109 2H6 A 10 2H6 A 10 -3.950 14.637 -6.772 110 H2 A 10 H2 A 10 -8.287 11.700 -6.166 111 1H5* U 11 1H5* U 11 -11.302 11.914 -10.666 112 2H5* U 11 2H5* U 11 -12.566 12.760 -11.580 113 H4* U 11 H4* U 11 -13.200 12.416 -9.196 114 H3* U 11 H3* U 11 -13.610 14.686 -10.642 115 H2* U 11 1H2* U 11 -11.668 15.854 -10.020 116 2HO* U 11 2HO* U 11 -12.431 17.030 -7.884 117 H1* U 11 H1* U 11 -11.910 15.041 -7.131 118 H3 U 11 H3 U 11 -7.909 16.865 -6.269 119 H5 U 11 H5 U 11 -7.338 15.176 -10.087 120 H6 U 11 H6 U 11 -9.660 14.483 -10.056 121 1H5* U 12 1H5* U 12 -17.696 14.146 -7.495 122 2H5* U 12 2H5* U 12 -17.882 15.481 -6.346 123 H4* U 12 H4* U 12 -16.402 13.036 -6.059 124 H3* U 12 H3* U 12 -17.815 14.720 -4.454 125 H2* U 12 1H2* U 12 -16.337 16.498 -4.381 126 2HO* U 12 2HO* U 12 -15.068 16.324 -2.456 127 H1* U 12 H1* U 12 -13.881 14.776 -4.180 128 H3 U 12 H3 U 12 -11.378 18.450 -4.679 129 H5 U 12 H5 U 12 -14.544 19.132 -7.374 130 H6 U 12 H6 U 12 -15.524 17.034 -6.654 131 1H5* A 13 1H5* A 13 -18.290 12.143 -5.416 132 2H5* A 13 2H5* A 13 -19.297 10.696 -5.203 133 H4* A 13 H4* A 13 -17.639 9.856 -6.597 134 H3* A 13 H3* A 13 -17.407 9.112 -3.879 135 H2* A 13 1H2* A 13 -15.353 10.057 -3.435 136 2HO* A 13 2HO* A 13 -14.992 7.708 -3.794 137 H1* A 13 H1* A 13 -14.434 9.889 -6.301 138 H8 A 13 H8 A 13 -15.070 12.444 -3.467 139 1H6 A 13 1H6 A 13 -9.303 14.339 -4.490 140 2H6 A 13 2H6 A 13 -10.718 14.545 -3.483 141 H2 A 13 H2 A 13 -10.282 11.103 -7.449 142 1H5* G 14 1H5* G 14 -14.958 4.484 -6.325 143 2H5* G 14 2H5* G 14 -14.754 5.883 -5.238 144 H4* G 14 H4* G 14 -15.827 6.378 -8.005 145 H3* G 14 H3* G 14 -13.044 5.353 -7.376 146 H2* G 14 1H2* G 14 -12.122 6.852 -8.914 147 2HO* G 14 2HO* G 14 -13.268 7.819 -10.532 148 H1* G 14 H1* G 14 -13.672 9.018 -8.278 149 H8 G 14 H8 G 14 -13.048 8.138 -4.979 150 H1 G 14 H1 G 14 -7.389 8.984 -7.789 151 1H2 G 14 1H2 G 14 -9.197 8.700 -10.757 152 2H2 G 14 2H2 G 14 -7.640 8.932 -9.994 153 1H5* G 15 1H5* G 15 -13.192 4.611 -11.361 154 2H5* G 15 2H5* G 15 -13.020 2.905 -11.849 155 H4* G 15 H4* G 15 -11.409 4.202 -13.086 156 H3* G 15 H3* G 15 -10.202 2.796 -10.678 157 H2* G 15 1H2* G 15 -8.078 3.560 -11.344 158 2HO* G 15 2HO* G 15 -7.656 4.381 -13.371 159 H1* G 15 H1* G 15 -8.868 6.105 -12.016 160 H8 G 15 H8 G 15 -10.705 5.363 -8.892 161 H1 G 15 H1 G 15 -4.486 6.186 -7.770 162 1H2 G 15 1H2 G 15 -4.143 5.913 -11.228 163 2H2 G 15 2H2 G 15 -3.359 6.142 -9.682 164 1H5* G 16 1H5* G 16 -7.960 2.292 -13.959 165 2H5* G 16 2H5* G 16 -7.423 0.633 -14.334 166 H4* G 16 H4* G 16 -5.594 2.322 -14.458 167 H3* G 16 H3* G 16 -5.500 0.264 -12.227 168 H2* G 16 1H2* G 16 -3.379 1.072 -11.625 169 2HO* G 16 2HO* G 16 -2.139 2.367 -12.961 170 H1* G 16 H1* G 16 -3.956 3.750 -11.984 171 H8 G 16 H8 G 16 -6.891 2.452 -10.188 172 H1 G 16 H1 G 16 -1.775 2.525 -6.389 173 1H2 G 16 1H2 G 16 0.025 2.999 -9.338 174 2H2 G 16 2H2 G 16 0.063 2.814 -7.598 175 1H5* A 17 1H5* A 17 -2.065 -0.299 -14.056 176 2H5* A 17 2H5* A 17 -1.481 -1.966 -14.243 177 H4* A 17 H4* A 17 0.065 -0.690 -12.832 178 H3* A 17 H3* A 17 -1.639 -2.787 -11.443 179 H2* A 17 1H2* A 17 -0.465 -2.378 -9.453 180 2HO* A 17 2HO* A 17 1.569 -1.916 -11.069 181 H1* A 17 H1* A 17 -0.316 0.368 -9.733 182 H8 A 17 H8 A 17 -3.797 -0.624 -10.631 183 1H6 A 17 1H6 A 17 -5.029 -1.142 -4.620 184 2H6 A 17 2H6 A 17 -5.721 -1.083 -6.226 185 H2 A 17 H2 A 17 -0.582 -0.740 -5.101 186 1H5* U 18 1H5* U 18 2.528 -3.543 -10.725 187 2H5* U 18 2H5* U 18 2.921 -5.273 -10.644 188 H4* U 18 H4* U 18 3.704 -4.037 -8.633 189 H3* U 18 H3* U 18 1.508 -6.112 -8.346 190 H2* U 18 1H2* U 18 1.537 -5.812 -6.021 191 2HO* U 18 2HO* U 18 3.939 -4.294 -6.337 192 H1* U 18 H1* U 18 1.860 -3.068 -6.042 193 H3 U 18 H3 U 18 -2.265 -3.839 -4.298 194 H5 U 18 H5 U 18 -2.742 -4.485 -8.435 195 H6 U 18 H6 U 18 -0.338 -4.277 -8.679 196 1H5* C 19 1H5* C 19 4.451 -6.794 -5.481 197 2H5* C 19 2H5* C 19 4.935 -8.500 -5.385 198 H4* C 19 H4* C 19 4.402 -7.696 -3.147 199 H3* C 19 H3* C 19 2.386 -9.566 -4.425 200 H2* C 19 1H2* C 19 1.117 -9.551 -2.452 201 2HO* C 19 2HO* C 19 3.225 -8.163 -1.123 202 H1* C 19 H1* C 19 1.421 -6.867 -1.879 203 1H4 C 19 1H4 C 19 -3.463 -7.572 -6.309 204 2H4 C 19 2H4 C 19 -4.240 -7.411 -4.750 205 H5 C 19 H5 C 19 -1.075 -7.697 -6.588 206 H6 C 19 H6 C 19 1.085 -7.690 -5.434 207 1H5* U 20 1H5* U 20 3.235 -11.135 -0.761 208 2H5* U 20 2H5* U 20 3.255 -12.908 -0.668 209 H4* U 20 H4* U 20 1.536 -11.977 0.828 210 H3* U 20 H3* U 20 0.601 -13.486 -1.634 211 H2* U 20 1H2* U 20 -1.619 -13.257 -0.911 212 2HO* U 20 2HO* U 20 -2.125 -13.221 1.145 213 H1* U 20 H1* U 20 -1.397 -10.667 0.030 214 H3 U 20 H3 U 20 -4.197 -10.289 -3.498 215 H5 U 20 H5 U 20 -0.472 -11.139 -5.271 216 H6 U 20 H6 U 20 0.438 -11.475 -3.049 217 1H5* C 21 1H5* C 21 -1.366 -15.076 1.986 218 2H5* C 21 2H5* C 21 -1.337 -16.848 1.873 219 H4* C 21 H4* C 21 -3.599 -16.123 2.422 220 H3* C 21 H3* C 21 -3.143 -17.127 -0.405 221 H2* C 21 1H2* C 21 -5.428 -16.871 -0.875 222 2HO* C 21 2HO* C 21 -6.467 -17.723 0.853 223 H1* C 21 H1* C 21 -5.792 -14.492 0.486 224 1H4 C 21 1H4 C 21 -3.320 -13.229 -5.543 225 2H4 C 21 2H4 C 21 -5.014 -12.793 -5.595 226 H5 C 21 H5 C 21 -2.275 -14.232 -3.618 227 H6 C 21 H6 C 21 -2.627 -15.036 -1.331 228 H3T C 21 H3T C 21 -3.736 -18.992 0.504 Start of MODEL 10 1 1H5* G 1 1H5* G 1 -14.029 -8.258 -10.664 2 2H5* G 1 2H5* G 1 -14.411 -7.039 -9.419 3 H4* G 1 H4* G 1 -15.219 -9.236 -8.722 4 H3* G 1 H3* G 1 -12.711 -8.249 -7.331 5 H2* G 1 1H2* G 1 -12.697 -10.160 -5.970 6 2HO* G 1 2HO* G 1 -14.512 -11.031 -5.338 7 H1* G 1 H1* G 1 -13.408 -11.970 -7.924 8 H8 G 1 H8 G 1 -10.968 -10.125 -9.815 9 H1 G 1 H1 G 1 -8.094 -12.902 -4.850 10 1H2 G 1 1H2 G 1 -11.326 -13.319 -3.609 11 2H2 G 1 2H2 G 1 -9.611 -13.564 -3.368 12 H5T G 1 H5T G 1 -11.969 -7.968 -10.326 13 1H5* G 2 1H5* G 2 -15.050 -9.810 -4.013 14 2H5* G 2 2H5* G 2 -15.434 -8.313 -3.123 15 H4* G 2 H4* G 2 -14.727 -10.030 -1.553 16 H3* G 2 H3* G 2 -12.647 -7.910 -2.171 17 H2* G 2 1H2* G 2 -11.169 -8.892 -0.633 18 2HO* G 2 2HO* G 2 -11.832 -10.000 1.072 19 H1* G 2 H1* G 2 -11.724 -11.520 -1.262 20 H8 G 2 H8 G 2 -11.493 -9.344 -4.354 21 H1 G 2 H1 G 2 -5.797 -11.163 -2.152 22 1H2 G 2 1H2 G 2 -7.573 -12.297 0.626 23 2H2 G 2 2H2 G 2 -6.020 -12.113 -0.158 24 1H5* G 3 1H5* G 3 -11.578 -5.370 2.318 25 2H5* G 3 2H5* G 3 -10.993 -5.450 0.634 26 H4* G 3 H4* G 3 -10.264 -7.183 3.038 27 H3* G 3 H3* G 3 -8.811 -5.276 1.176 28 H2* G 3 1H2* G 3 -6.829 -6.516 1.472 29 2HO* G 3 2HO* G 3 -6.663 -7.030 3.570 30 H1* G 3 H1* G 3 -7.983 -8.994 1.276 31 H8 G 3 H8 G 3 -9.811 -7.292 -1.359 32 H1 G 3 H1 G 3 -3.640 -7.646 -2.911 33 1H2 G 3 1H2 G 3 -3.161 -8.456 0.447 34 2H2 G 3 2H2 G 3 -2.438 -8.183 -1.122 35 1H5* A 4 1H5* A 4 -7.157 -3.471 5.150 36 2H5* A 4 2H5* A 4 -6.457 -1.929 4.618 37 H4* A 4 H4* A 4 -4.881 -3.995 4.960 38 H3* A 4 H3* A 4 -4.927 -2.158 2.540 39 H2* A 4 1H2* A 4 -3.043 -3.309 1.691 40 2HO* A 4 2HO* A 4 -2.913 -4.552 4.265 41 H1* A 4 H1* A 4 -3.986 -5.818 2.227 42 H8 A 4 H8 A 4 -7.041 -4.075 1.156 43 1H6 A 4 1H6 A 4 -5.006 -4.108 -4.649 44 2H6 A 4 2H6 A 4 -6.386 -3.822 -3.614 45 H2 A 4 H2 A 4 -1.594 -5.287 -1.973 46 1H5* U 5 1H5* U 5 -1.227 -0.613 4.712 47 2H5* U 5 2H5* U 5 -0.649 0.862 3.912 48 H4* U 5 H4* U 5 0.505 -1.423 3.355 49 H3* U 5 H3* U 5 -0.453 0.649 1.356 50 H2* U 5 1H2* U 5 0.378 -0.664 -0.402 51 2HO* U 5 2HO* U 5 1.978 -2.095 -0.174 52 H1* U 5 H1* U 5 -0.381 -3.117 0.606 53 H3 U 5 H3 U 5 -2.611 -1.957 -3.286 54 H5 U 5 H5 U 5 -4.914 -0.447 -0.100 55 H6 U 5 H6 U 5 -3.080 -0.978 1.394 56 1H5* C 6 1H5* C 6 2.657 -0.075 -0.003 57 2H5* C 6 2H5* C 6 4.403 0.031 0.284 58 H4* C 6 H4* C 6 4.761 0.695 -1.841 59 H3* C 6 H3* C 6 2.658 2.780 -1.180 60 H2* C 6 1H2* C 6 2.442 3.297 -3.457 61 2HO* C 6 2HO* C 6 4.825 1.769 -3.866 62 H1* C 6 H1* C 6 2.587 0.713 -4.408 63 1H4 C 6 1H4 C 6 -3.596 1.929 -2.323 64 2H4 C 6 2H4 C 6 -3.615 2.163 -4.057 65 H5 C 6 H5 C 6 -1.592 1.449 -1.081 66 H6 C 6 H6 C 6 0.826 1.099 -1.226 67 1H5* A 7 1H5* A 7 5.734 7.566 -1.799 68 2H5* A 7 2H5* A 7 4.087 6.990 -1.478 69 H4* A 7 H4* A 7 5.772 6.469 -3.959 70 H3* A 7 H3* A 7 3.251 8.033 -3.327 71 H2* A 7 1H2* A 7 2.398 7.550 -5.458 72 2HO* A 7 2HO* A 7 4.840 7.778 -6.258 73 H1* A 7 H1* A 7 3.268 4.932 -5.587 74 H8 A 7 H8 A 7 1.864 5.747 -2.169 75 1H6 A 7 1H6 A 7 -3.722 4.562 -4.477 76 2H6 A 7 2H6 A 7 -2.812 4.887 -3.019 77 H2 A 7 H2 A 7 -0.792 4.634 -7.884 78 1H5* C 8 1H5* C 8 2.474 11.578 -6.781 79 2H5* C 8 2H5* C 8 1.800 10.195 -5.894 80 H4* C 8 H4* C 8 2.968 9.853 -8.668 81 H3* C 8 H3* C 8 0.221 10.848 -7.847 82 H2* C 8 1H2* C 8 -0.735 9.606 -9.609 83 2HO* C 8 2HO* C 8 1.907 9.033 -10.538 84 H1* C 8 H1* C 8 0.749 7.332 -9.232 85 1H4 C 8 1H4 C 8 -3.977 7.305 -4.597 86 2H4 C 8 2H4 C 8 -4.833 6.886 -6.064 87 H5 C 8 H5 C 8 -1.665 7.965 -4.564 88 H6 C 8 H6 C 8 0.317 8.416 -5.927 89 1H5* C 9 1H5* C 9 0.085 11.795 -12.015 90 2H5* C 9 2H5* C 9 -1.042 13.152 -12.217 91 H4* C 9 H4* C 9 -1.756 10.846 -13.161 92 H3* C 9 H3* C 9 -3.429 12.569 -11.304 93 H2* C 9 1H2* C 9 -5.178 11.012 -11.434 94 2HO* C 9 2HO* C 9 -3.766 9.848 -13.631 95 H1* C 9 H1* C 9 -3.620 8.729 -11.377 96 1H4 C 9 1H4 C 9 -4.498 10.604 -5.103 97 2H4 C 9 2H4 C 9 -5.959 9.731 -5.510 98 H5 C 9 H5 C 9 -2.800 11.161 -6.719 99 H6 C 9 H6 C 9 -2.124 10.980 -9.065 100 1H5* A 10 1H5* A 10 -6.480 11.747 -13.706 101 2H5* A 10 2H5* A 10 -7.600 13.122 -13.625 102 H4* A 10 H4* A 10 -8.263 10.963 -12.354 103 H3* A 10 H3* A 10 -8.183 13.750 -11.156 104 H2* A 10 1H2* A 10 -8.972 12.902 -9.107 105 2HO* A 10 2HO* A 10 -9.676 10.600 -10.635 106 H1* A 10 H1* A 10 -7.466 10.603 -9.088 107 H8 A 10 H8 A 10 -5.239 13.336 -10.307 108 1H6 A 10 1H6 A 10 -4.518 15.113 -4.457 109 2H6 A 10 2H6 A 10 -3.942 15.309 -6.097 110 H2 A 10 H2 A 10 -7.855 12.102 -4.602 111 1H5* U 11 1H5* U 11 -11.366 11.984 -9.603 112 2H5* U 11 2H5* U 11 -12.851 12.659 -10.300 113 H4* U 11 H4* U 11 -13.119 12.280 -7.884 114 H3* U 11 H3* U 11 -13.852 14.556 -9.189 115 H2* U 11 1H2* U 11 -11.948 15.841 -8.784 116 2HO* U 11 2HO* U 11 -12.669 17.381 -7.498 117 H1* U 11 H1* U 11 -11.684 14.927 -5.931 118 H3 U 11 H3 U 11 -7.566 16.636 -5.545 119 H5 U 11 H5 U 11 -7.801 15.765 -9.660 120 H6 U 11 H6 U 11 -10.035 14.906 -9.286 121 1H5* U 12 1H5* U 12 -17.444 15.012 -4.961 122 2H5* U 12 2H5* U 12 -15.900 15.449 -5.713 123 H4* U 12 H4* U 12 -15.892 12.753 -4.561 124 H3* U 12 H3* U 12 -17.308 14.476 -2.997 125 H2* U 12 1H2* U 12 -15.775 16.207 -2.859 126 2HO* U 12 2HO* U 12 -15.984 15.639 -0.711 127 H1* U 12 H1* U 12 -13.385 14.404 -2.573 128 H3 U 12 H3 U 12 -10.566 17.802 -3.239 129 H5 U 12 H5 U 12 -13.925 18.968 -5.499 130 H6 U 12 H6 U 12 -15.016 16.914 -4.818 131 1H5* A 13 1H5* A 13 -18.054 11.900 -3.899 132 2H5* A 13 2H5* A 13 -18.995 10.418 -3.632 133 H4* A 13 H4* A 13 -17.365 9.662 -5.117 134 H3* A 13 H3* A 13 -17.005 8.914 -2.387 135 H2* A 13 1H2* A 13 -14.899 9.768 -2.080 136 2HO* A 13 2HO* A 13 -14.001 7.842 -2.181 137 H1* A 13 H1* A 13 -14.221 9.696 -5.015 138 H8 A 13 H8 A 13 -14.555 12.130 -2.026 139 1H6 A 13 1H6 A 13 -8.842 13.933 -3.424 140 2H6 A 13 2H6 A 13 -10.160 14.112 -2.286 141 H2 A 13 H2 A 13 -10.160 10.911 -6.465 142 1H5* G 14 1H5* G 14 -16.211 4.725 -5.507 143 2H5* G 14 2H5* G 14 -14.503 4.266 -5.295 144 H4* G 14 H4* G 14 -15.746 6.284 -7.005 145 H3* G 14 H3* G 14 -12.994 5.072 -6.617 146 H2* G 14 1H2* G 14 -12.061 6.743 -7.946 147 2HO* G 14 2HO* G 14 -14.662 6.928 -8.972 148 H1* G 14 H1* G 14 -13.589 8.844 -7.036 149 H8 G 14 H8 G 14 -12.772 7.753 -3.876 150 H1 G 14 H1 G 14 -7.286 8.777 -6.952 151 1H2 G 14 1H2 G 14 -9.252 8.575 -9.827 152 2H2 G 14 2H2 G 14 -7.657 8.798 -9.144 153 1H5* G 15 1H5* G 15 -13.542 4.011 -11.142 154 2H5* G 15 2H5* G 15 -12.948 2.330 -11.162 155 H4* G 15 H4* G 15 -11.792 3.933 -12.751 156 H3* G 15 H3* G 15 -10.272 2.546 -10.521 157 H2* G 15 1H2* G 15 -8.268 3.495 -11.297 158 2HO* G 15 2HO* G 15 -9.743 4.194 -13.642 159 H1* G 15 H1* G 15 -9.264 5.999 -11.812 160 H8 G 15 H8 G 15 -10.855 5.032 -8.620 161 H1 G 15 H1 G 15 -4.628 6.137 -7.826 162 1H2 G 15 1H2 G 15 -4.493 6.089 -11.310 163 2H2 G 15 2H2 G 15 -3.624 6.273 -9.802 164 1H5* G 16 1H5* G 16 -7.826 2.429 -13.763 165 2H5* G 16 2H5* G 16 -7.641 0.733 -14.284 166 H4* G 16 H4* G 16 -5.489 1.858 -14.402 167 H3* G 16 H3* G 16 -5.833 0.026 -12.006 168 H2* G 16 1H2* G 16 -3.612 0.446 -11.379 169 2HO* G 16 2HO* G 16 -3.234 1.697 -13.922 170 H1* G 16 H1* G 16 -3.598 3.141 -11.988 171 H8 G 16 H8 G 16 -6.798 2.605 -10.233 172 H1 G 16 H1 G 16 -1.885 2.152 -6.201 173 1H2 G 16 1H2 G 16 0.067 1.980 -9.086 174 2H2 G 16 2H2 G 16 0.015 1.974 -7.338 175 1H5* A 17 1H5* A 17 -2.472 -0.949 -13.873 176 2H5* A 17 2H5* A 17 -1.948 -2.644 -13.961 177 H4* A 17 H4* A 17 -0.285 -1.242 -12.776 178 H3* A 17 H3* A 17 -1.820 -3.340 -11.214 179 H2* A 17 1H2* A 17 -0.567 -2.837 -9.295 180 2HO* A 17 2HO* A 17 1.135 -0.938 -10.259 181 H1* A 17 H1* A 17 -0.552 -0.103 -9.609 182 H8 A 17 H8 A 17 -3.972 -1.419 -10.463 183 1H6 A 17 1H6 A 17 -5.180 -1.595 -4.429 184 2H6 A 17 2H6 A 17 -5.861 -1.734 -6.034 185 H2 A 17 H2 A 17 -0.788 -0.790 -4.946 186 1H5* U 18 1H5* U 18 2.392 -3.739 -10.581 187 2H5* U 18 2H5* U 18 2.913 -5.436 -10.565 188 H4* U 18 H4* U 18 3.748 -4.290 -8.568 189 H3* U 18 H3* U 18 1.513 -6.305 -8.177 190 H2* U 18 1H2* U 18 1.671 -6.011 -5.845 191 2HO* U 18 2HO* U 18 3.817 -5.974 -5.400 192 H1* U 18 H1* U 18 1.925 -3.279 -5.893 193 H3 U 18 H3 U 18 -2.241 -3.919 -4.241 194 H5 U 18 H5 U 18 -2.595 -5.016 -8.294 195 H6 U 18 H6 U 18 -0.195 -4.744 -8.511 196 1H5* C 19 1H5* C 19 4.714 -8.229 -5.910 197 2H5* C 19 2H5* C 19 4.420 -9.979 -5.863 198 H4* C 19 H4* C 19 4.236 -8.792 -3.624 199 H3* C 19 H3* C 19 1.922 -10.345 -4.827 200 H2* C 19 1H2* C 19 0.683 -9.978 -2.862 201 2HO* C 19 2HO* C 19 1.679 -9.080 -0.977 202 H1* C 19 H1* C 19 1.433 -7.352 -2.500 203 1H4 C 19 1H4 C 19 -3.434 -7.518 -6.994 204 2H4 C 19 2H4 C 19 -4.237 -7.382 -5.447 205 H5 C 19 H5 C 19 -1.056 -7.811 -7.224 206 H6 C 19 H6 C 19 1.065 -8.046 -6.023 207 1H5* U 20 1H5* U 20 2.523 -12.099 -1.132 208 2H5* U 20 2H5* U 20 2.430 -13.873 -1.128 209 H4* U 20 H4* U 20 0.791 -12.995 0.446 210 H3* U 20 H3* U 20 -0.300 -14.108 -2.157 211 H2* U 20 1H2* U 20 -2.493 -13.729 -1.412 212 2HO* U 20 2HO* U 20 -2.918 -14.066 0.625 213 H1* U 20 H1* U 20 -2.029 -11.277 -0.243 214 H3 U 20 H3 U 20 -4.639 -10.397 -3.850 215 H5 U 20 H5 U 20 -0.859 -11.244 -5.506 216 H6 U 20 H6 U 20 -0.102 -11.876 -3.292 217 1H5* C 21 1H5* C 21 -2.650 -15.908 0.977 218 2H5* C 21 2H5* C 21 -2.799 -17.641 0.620 219 H4* C 21 H4* C 21 -5.021 -16.662 0.975 220 H3* C 21 H3* C 21 -4.287 -17.486 -1.852 221 H2* C 21 1H2* C 21 -6.435 -16.901 -2.591 222 2HO* C 21 2HO* C 21 -7.294 -16.497 0.094 223 H1* C 21 H1* C 21 -6.709 -14.611 -1.070 224 1H4 C 21 1H4 C 21 -3.268 -13.235 -6.575 225 2H4 C 21 2H4 C 21 -4.885 -12.616 -6.832 226 H5 C 21 H5 C 21 -2.622 -14.463 -4.608 227 H6 C 21 H6 C 21 -3.386 -15.372 -2.466 228 H3T C 21 H3T C 21 -6.049 -19.050 -1.078 Start of MODEL 11 1 1H5* G 1 1H5* G 1 -14.110 -5.099 -8.417 2 2H5* G 1 2H5* G 1 -15.730 -4.899 -9.133 3 H4* G 1 H4* G 1 -16.654 -6.390 -7.462 4 H3* G 1 H3* G 1 -13.977 -5.975 -6.100 5 H2* G 1 1H2* G 1 -14.079 -8.141 -5.205 6 2HO* G 1 2HO* G 1 -16.841 -8.040 -5.914 7 H1* G 1 H1* G 1 -15.122 -9.384 -7.441 8 H8 G 1 H8 G 1 -12.602 -7.458 -9.110 9 H1 G 1 H1 G 1 -9.762 -11.479 -5.059 10 1H2 G 1 1H2 G 1 -12.936 -11.817 -3.655 11 2H2 G 1 2H2 G 1 -11.249 -12.276 -3.615 12 H5T G 1 H5T G 1 -16.315 -3.911 -7.083 13 1H5* G 2 1H5* G 2 -15.906 -7.821 -2.873 14 2H5* G 2 2H5* G 2 -16.239 -6.451 -1.780 15 H4* G 2 H4* G 2 -15.377 -8.137 -0.369 16 H3* G 2 H3* G 2 -13.111 -6.367 -1.340 17 H2* G 2 1H2* G 2 -11.610 -7.596 0.005 18 2HO* G 2 2HO* G 2 -13.767 -9.105 1.091 19 H1* G 2 H1* G 2 -12.587 -10.063 -0.658 20 H8 G 2 H8 G 2 -12.662 -7.794 -3.679 21 H1 G 2 H1 G 2 -6.859 -10.149 -2.510 22 1H2 G 2 1H2 G 2 -8.242 -11.247 0.493 23 2H2 G 2 2H2 G 2 -6.829 -11.157 -0.535 24 1H5* G 3 1H5* G 3 -12.450 -6.782 2.505 25 2H5* G 3 2H5* G 3 -12.086 -5.285 3.404 26 H4* G 3 H4* G 3 -10.336 -6.965 3.748 27 H3* G 3 H3* G 3 -9.593 -4.654 1.921 28 H2* G 3 1H2* G 3 -7.397 -5.486 1.831 29 2HO* G 3 2HO* G 3 -6.993 -5.965 3.970 30 H1* G 3 H1* G 3 -8.087 -8.161 1.672 31 H8 G 3 H8 G 3 -10.287 -6.108 -0.597 32 H1 G 3 H1 G 3 -4.494 -7.109 -3.056 33 1H2 G 3 1H2 G 3 -3.698 -8.316 0.116 34 2H2 G 3 2H2 G 3 -3.158 -7.984 -1.514 35 1H5* A 4 1H5* A 4 -5.692 -2.030 5.113 36 2H5* A 4 2H5* A 4 -6.324 -2.071 3.454 37 H4* A 4 H4* A 4 -4.636 -4.216 4.808 38 H3* A 4 H3* A 4 -4.141 -2.124 2.669 39 H2* A 4 1H2* A 4 -2.686 -3.590 1.555 40 2HO* A 4 2HO* A 4 -1.811 -5.410 2.521 41 H1* A 4 H1* A 4 -4.171 -5.887 1.924 42 H8 A 4 H8 A 4 -6.803 -3.579 0.962 43 1H6 A 4 1H6 A 4 -4.668 -3.495 -4.810 44 2H6 A 4 2H6 A 4 -6.017 -3.089 -3.772 45 H2 A 4 H2 A 4 -1.521 -5.346 -2.190 46 1H5* U 5 1H5* U 5 -0.338 -3.243 3.439 47 2H5* U 5 2H5* U 5 0.705 -1.853 3.802 48 H4* U 5 H4* U 5 1.672 -3.101 1.947 49 H3* U 5 H3* U 5 0.364 -0.452 1.262 50 H2* U 5 1H2* U 5 1.020 -0.693 -0.975 51 2HO* U 5 2HO* U 5 2.516 -3.034 -0.503 52 H1* U 5 H1* U 5 0.506 -3.394 -1.191 53 H3 U 5 H3 U 5 -2.467 -1.193 -3.864 54 H5 U 5 H5 U 5 -4.030 -0.801 0.028 55 H6 U 5 H6 U 5 -1.973 -1.761 0.881 56 1H5* C 6 1H5* C 6 4.517 -0.439 -0.267 57 2H5* C 6 2H5* C 6 5.192 1.193 -0.089 58 H4* C 6 H4* C 6 5.419 0.385 -2.413 59 H3* C 6 H3* C 6 3.508 2.674 -1.852 60 H2* C 6 1H2* C 6 3.061 2.873 -4.143 61 2HO* C 6 2HO* C 6 5.535 2.314 -4.491 62 H1* C 6 H1* C 6 2.989 0.175 -4.715 63 1H4 C 6 1H4 C 6 -2.874 2.123 -2.285 64 2H4 C 6 2H4 C 6 -3.090 1.922 -4.009 65 H5 C 6 H5 C 6 -0.751 1.855 -1.183 66 H6 C 6 H6 C 6 1.622 1.335 -1.491 67 1H5* A 7 1H5* A 7 6.239 4.054 -5.192 68 2H5* A 7 2H5* A 7 6.592 5.743 -4.775 69 H4* A 7 H4* A 7 5.778 5.620 -7.079 70 H3* A 7 H3* A 7 3.875 6.805 -5.031 71 H2* A 7 1H2* A 7 2.366 7.311 -6.755 72 2HO* A 7 2HO* A 7 3.861 8.178 -8.249 73 H1* A 7 H1* A 7 2.730 4.977 -8.196 74 H8 A 7 H8 A 7 2.447 4.761 -4.367 75 1H6 A 7 1H6 A 7 -3.603 4.041 -5.232 76 2H6 A 7 2H6 A 7 -2.311 4.039 -4.052 77 H2 A 7 H2 A 7 -1.724 4.929 -9.217 78 1H5* C 8 1H5* C 8 2.270 11.291 -6.513 79 2H5* C 8 2H5* C 8 2.037 9.660 -5.849 80 H4* C 8 H4* C 8 2.233 9.907 -8.829 81 H3* C 8 H3* C 8 -0.069 10.945 -7.143 82 H2* C 8 1H2* C 8 -1.595 10.075 -8.699 83 2HO* C 8 2HO* C 8 0.278 9.189 -10.561 84 H1* C 8 H1* C 8 -0.233 7.721 -9.227 85 1H4 C 8 1H4 C 8 -3.797 6.586 -3.792 86 2H4 C 8 2H4 C 8 -4.966 6.494 -5.091 87 H5 C 8 H5 C 8 -1.518 7.284 -4.119 88 H6 C 8 H6 C 8 0.127 8.081 -5.747 89 1H5* C 9 1H5* C 9 -2.945 14.075 -10.062 90 2H5* C 9 2H5* C 9 -3.048 13.140 -8.555 91 H4* C 9 H4* C 9 -3.649 12.110 -11.361 92 H3* C 9 H3* C 9 -5.334 12.908 -8.968 93 H2* C 9 1H2* C 9 -6.863 11.196 -9.453 94 2HO* C 9 2HO* C 9 -5.559 11.037 -11.991 95 H1* C 9 H1* C 9 -5.013 9.272 -10.154 96 1H4 C 9 1H4 C 9 -5.349 9.285 -3.554 97 2H4 C 9 2H4 C 9 -6.736 8.345 -4.056 98 H5 C 9 H5 C 9 -3.941 10.484 -5.091 99 H6 C 9 H6 C 9 -3.532 11.016 -7.446 100 1H5* A 10 1H5* A 10 -10.273 13.509 -11.254 101 2H5* A 10 2H5* A 10 -9.563 14.224 -9.792 102 H4* A 10 H4* A 10 -10.381 11.383 -10.331 103 H3* A 10 H3* A 10 -10.533 13.388 -8.058 104 H2* A 10 1H2* A 10 -10.662 11.637 -6.508 105 2HO* A 10 2HO* A 10 -11.274 9.580 -7.030 106 H1* A 10 H1* A 10 -8.851 9.947 -7.724 107 H8 A 10 H8 A 10 -7.146 13.172 -7.860 108 1H6 A 10 1H6 A 10 -6.027 12.819 -1.817 109 2H6 A 10 2H6 A 10 -5.622 13.647 -3.304 110 H2 A 10 H2 A 10 -9.103 9.712 -2.853 111 1H5* U 11 1H5* U 11 -13.110 10.454 -6.629 112 2H5* U 11 2H5* U 11 -14.697 11.134 -7.046 113 H4* U 11 H4* U 11 -14.760 10.118 -4.806 114 H3* U 11 H3* U 11 -15.758 12.582 -5.407 115 H2* U 11 1H2* U 11 -13.913 13.877 -4.787 116 2HO* U 11 2HO* U 11 -15.759 13.605 -2.725 117 H1* U 11 H1* U 11 -13.397 12.277 -2.291 118 H3 U 11 H3 U 11 -9.495 14.373 -1.632 119 H5 U 11 H5 U 11 -9.775 14.283 -5.835 120 H6 U 11 H6 U 11 -11.905 13.149 -5.604 121 1H5* U 12 1H5* U 12 -18.950 10.224 -1.030 122 2H5* U 12 2H5* U 12 -17.795 11.531 -1.317 123 H4* U 12 H4* U 12 -16.818 8.702 -1.351 124 H3* U 12 H3* U 12 -18.251 9.512 0.819 125 H2* U 12 1H2* U 12 -17.123 11.480 1.292 126 2HO* U 12 2HO* U 12 -15.326 9.645 2.535 127 H1* U 12 H1* U 12 -14.407 10.310 0.736 128 H3 U 12 H3 U 12 -12.542 14.344 1.122 129 H5 U 12 H5 U 12 -16.239 15.236 -0.690 130 H6 U 12 H6 U 12 -16.776 12.878 -0.606 131 1H5* A 13 1H5* A 13 -18.540 7.365 -0.711 132 2H5* A 13 2H5* A 13 -19.261 5.750 -0.862 133 H4* A 13 H4* A 13 -17.807 5.698 -2.661 134 H3* A 13 H3* A 13 -16.878 4.305 -0.378 135 H2* A 13 1H2* A 13 -14.961 5.522 0.009 136 2HO* A 13 2HO* A 13 -13.741 3.921 -0.692 137 H1* A 13 H1* A 13 -14.682 6.350 -2.878 138 H8 A 13 H8 A 13 -14.967 7.731 0.724 139 1H6 A 13 1H6 A 13 -10.115 11.232 -0.701 140 2H6 A 13 2H6 A 13 -11.204 10.750 0.580 141 H2 A 13 H2 A 13 -11.330 8.934 -4.361 142 1H5* G 14 1H5* G 14 -14.239 1.175 -4.445 143 2H5* G 14 2H5* G 14 -14.064 2.243 -3.028 144 H4* G 14 H4* G 14 -15.751 3.201 -5.328 145 H3* G 14 H3* G 14 -12.763 2.700 -5.454 146 H2* G 14 1H2* G 14 -12.443 4.725 -6.567 147 2HO* G 14 2HO* G 14 -14.101 4.588 -8.103 148 H1* G 14 H1* G 14 -14.246 6.228 -5.127 149 H8 G 14 H8 G 14 -12.760 4.734 -2.355 150 H1 G 14 H1 G 14 -8.145 7.706 -5.593 151 1H2 G 14 1H2 G 14 -10.452 7.741 -8.207 152 2H2 G 14 2H2 G 14 -8.850 8.164 -7.647 153 1H5* G 15 1H5* G 15 -13.643 2.624 -10.984 154 2H5* G 15 2H5* G 15 -12.506 1.315 -10.570 155 H4* G 15 H4* G 15 -11.942 3.402 -12.229 156 H3* G 15 H3* G 15 -10.171 1.875 -10.296 157 H2* G 15 1H2* G 15 -8.347 3.225 -10.892 158 2HO* G 15 2HO* G 15 -8.308 4.488 -12.729 159 H1* G 15 H1* G 15 -9.714 5.613 -11.000 160 H8 G 15 H8 G 15 -10.982 3.886 -7.967 161 H1 G 15 H1 G 15 -5.029 6.015 -7.140 162 1H2 G 15 1H2 G 15 -5.070 6.521 -10.591 163 2H2 G 15 2H2 G 15 -4.172 6.636 -9.096 164 1H5* G 16 1H5* G 16 -7.646 2.648 -13.556 165 2H5* G 16 2H5* G 16 -7.442 1.050 -14.320 166 H4* G 16 H4* G 16 -5.301 2.171 -14.294 167 H3* G 16 H3* G 16 -5.627 0.085 -12.116 168 H2* G 16 1H2* G 16 -3.419 0.459 -11.424 169 2HO* G 16 2HO* G 16 -1.877 1.146 -12.742 170 H1* G 16 H1* G 16 -3.427 3.202 -11.735 171 H8 G 16 H8 G 16 -6.632 2.476 -10.077 172 H1 G 16 H1 G 16 -1.748 1.562 -6.089 173 1H2 G 16 1H2 G 16 0.222 1.697 -8.963 174 2H2 G 16 2H2 G 16 0.158 1.499 -7.226 175 1H5* A 17 1H5* A 17 -2.447 -4.216 -13.979 176 2H5* A 17 2H5* A 17 -3.487 -3.753 -12.618 177 H4* A 17 H4* A 17 -0.758 -2.640 -13.340 178 H3* A 17 H3* A 17 -1.962 -4.174 -11.019 179 H2* A 17 1H2* A 17 -0.467 -3.120 -9.542 180 2HO* A 17 2HO* A 17 1.174 -1.626 -10.594 181 H1* A 17 H1* A 17 -0.655 -0.603 -10.627 182 H8 A 17 H8 A 17 -4.159 -1.433 -10.710 183 1H6 A 17 1H6 A 17 -4.456 -1.252 -4.568 184 2H6 A 17 2H6 A 17 -5.385 -1.270 -6.050 185 H2 A 17 H2 A 17 -0.124 -1.385 -5.746 186 1H5* U 18 1H5* U 18 2.024 -5.521 -11.031 187 2H5* U 18 2H5* U 18 2.273 -7.255 -10.742 188 H4* U 18 H4* U 18 3.355 -5.992 -8.964 189 H3* U 18 H3* U 18 0.786 -7.422 -8.212 190 H2* U 18 1H2* U 18 1.119 -6.778 -5.965 191 2HO* U 18 2HO* U 18 3.424 -7.185 -5.958 192 H1* U 18 H1* U 18 1.844 -4.194 -6.505 193 H3 U 18 H3 U 18 -2.336 -4.197 -4.628 194 H5 U 18 H5 U 18 -2.963 -5.017 -8.715 195 H6 U 18 H6 U 18 -0.562 -5.237 -8.973 196 1H5* C 19 1H5* C 19 3.760 -9.845 -6.103 197 2H5* C 19 2H5* C 19 3.229 -11.526 -5.893 198 H4* C 19 H4* C 19 3.366 -10.253 -3.738 199 H3* C 19 H3* C 19 0.695 -11.295 -4.735 200 H2* C 19 1H2* C 19 -0.308 -10.575 -2.738 201 2HO* C 19 2HO* C 19 2.302 -10.079 -1.687 202 H1* C 19 H1* C 19 1.081 -8.192 -2.523 203 1H4 C 19 1H4 C 19 -4.054 -7.259 -6.605 204 2H4 C 19 2H4 C 19 -4.677 -6.939 -5.002 205 H5 C 19 H5 C 19 -1.828 -8.083 -7.015 206 H6 C 19 H6 C 19 0.272 -8.799 -5.979 207 1H5* U 20 1H5* U 20 0.886 -13.130 -1.108 208 2H5* U 20 2H5* U 20 0.325 -14.814 -1.119 209 H4* U 20 H4* U 20 -1.110 -13.507 0.355 210 H3* U 20 H3* U 20 -2.314 -14.315 -2.312 211 H2* U 20 1H2* U 20 -4.372 -13.400 -1.641 212 2HO* U 20 2HO* U 20 -4.264 -14.256 0.546 213 H1* U 20 H1* U 20 -3.336 -11.133 -0.483 214 H3 U 20 H3 U 20 -5.560 -9.820 -4.226 215 H5 U 20 H5 U 20 -1.960 -11.466 -5.677 216 H6 U 20 H6 U 20 -1.459 -12.194 -3.419 217 1H5* C 21 1H5* C 21 -5.142 -16.327 0.790 218 2H5* C 21 2H5* C 21 -5.670 -17.775 -0.090 219 H4* C 21 H4* C 21 -7.549 -16.285 0.719 220 H3* C 21 H3* C 21 -7.156 -16.887 -2.234 221 H2* C 21 1H2* C 21 -9.144 -15.726 -2.704 222 2HO* C 21 2HO* C 21 -10.421 -16.629 -1.025 223 H1* C 21 H1* C 21 -8.757 -13.675 -0.885 224 1H4 C 21 1H4 C 21 -5.514 -12.222 -6.477 225 2H4 C 21 2H4 C 21 -7.067 -11.427 -6.601 226 H5 C 21 H5 C 21 -4.924 -13.689 -4.657 227 H6 C 21 H6 C 21 -5.697 -14.713 -2.569 228 H3T C 21 H3T C 21 -8.732 -18.411 -1.767 Start of MODEL 12 1 1H5* G 1 1H5* G 1 -14.788 -4.858 -6.145 2 2H5* G 1 2H5* G 1 -16.433 -4.645 -6.799 3 H4* G 1 H4* G 1 -17.332 -5.455 -4.644 4 H3* G 1 H3* G 1 -14.404 -5.385 -3.858 5 H2* G 1 1H2* G 1 -14.721 -7.269 -2.490 6 2HO* G 1 2HO* G 1 -17.108 -6.265 -2.095 7 H1* G 1 H1* G 1 -16.352 -8.664 -4.214 8 H8 G 1 H8 G 1 -13.875 -7.483 -6.578 9 H1 G 1 H1 G 1 -11.124 -11.482 -2.447 10 1H2 G 1 1H2 G 1 -14.014 -11.026 -0.549 11 2H2 G 1 2H2 G 1 -12.451 -11.799 -0.695 12 H5T G 1 H5T G 1 -16.160 -2.694 -6.082 13 1H5* G 2 1H5* G 2 -15.850 -6.501 -0.458 14 2H5* G 2 2H5* G 2 -15.934 -5.075 0.609 15 H4* G 2 H4* G 2 -15.105 -6.732 2.036 16 H3* G 2 H3* G 2 -12.732 -5.453 0.639 17 H2* G 2 1H2* G 2 -11.291 -6.829 1.910 18 2HO* G 2 2HO* G 2 -13.621 -7.487 3.433 19 H1* G 2 H1* G 2 -12.735 -9.129 1.575 20 H8 G 2 H8 G 2 -12.880 -7.145 -1.619 21 H1 G 2 H1 G 2 -7.341 -10.220 -0.930 22 1H2 G 2 1H2 G 2 -8.420 -10.803 2.333 23 2H2 G 2 2H2 G 2 -7.168 -11.022 1.131 24 1H5* G 3 1H5* G 3 -11.788 -5.351 4.390 25 2H5* G 3 2H5* G 3 -10.933 -3.937 5.060 26 H4* G 3 H4* G 3 -9.587 -5.992 5.248 27 H3* G 3 H3* G 3 -8.675 -3.978 3.165 28 H2* G 3 1H2* G 3 -6.762 -5.296 2.798 29 2HO* G 3 2HO* G 3 -6.001 -5.916 4.729 30 H1* G 3 H1* G 3 -8.059 -7.734 2.921 31 H8 G 3 H8 G 3 -10.210 -5.488 0.869 32 H1 G 3 H1 G 3 -5.002 -7.333 -2.312 33 1H2 G 3 1H2 G 3 -3.876 -8.434 0.800 34 2H2 G 3 2H2 G 3 -3.553 -8.265 -0.911 35 1H5* A 4 1H5* A 4 -5.007 -3.049 5.859 36 2H5* A 4 2H5* A 4 -4.338 -1.788 4.805 37 H4* A 4 H4* A 4 -3.488 -4.421 4.889 38 H3* A 4 H3* A 4 -3.327 -2.270 2.753 39 H2* A 4 1H2* A 4 -2.272 -3.797 1.318 40 2HO* A 4 2HO* A 4 -2.068 -5.984 2.935 41 H1* A 4 H1* A 4 -3.804 -5.999 1.996 42 H8 A 4 H8 A 4 -6.426 -3.541 1.569 43 1H6 A 4 1H6 A 4 -5.467 -3.519 -4.515 44 2H6 A 4 2H6 A 4 -6.563 -3.052 -3.234 45 H2 A 4 H2 A 4 -1.964 -5.541 -2.560 46 1H5* U 5 1H5* U 5 0.829 -3.901 2.985 47 2H5* U 5 2H5* U 5 1.800 -2.453 3.323 48 H4* U 5 H4* U 5 2.857 -3.680 1.513 49 H3* U 5 H3* U 5 1.383 -1.146 0.731 50 H2* U 5 1H2* U 5 2.079 -1.416 -1.498 51 2HO* U 5 2HO* U 5 3.592 -3.675 -1.310 52 H1* U 5 H1* U 5 1.676 -4.135 -1.639 53 H3 U 5 H3 U 5 -1.494 -2.182 -4.273 54 H5 U 5 H5 U 5 -2.916 -1.666 -0.341 55 H6 U 5 H6 U 5 -0.799 -2.524 0.470 56 1H5* C 6 1H5* C 6 4.790 -0.974 -1.544 57 2H5* C 6 2H5* C 6 5.755 0.371 -0.903 58 H4* C 6 H4* C 6 5.840 0.784 -3.200 59 H3* C 6 H3* C 6 3.430 2.216 -2.036 60 H2* C 6 1H2* C 6 2.961 3.104 -4.157 61 2HO* C 6 2HO* C 6 4.482 2.924 -5.889 62 H1* C 6 H1* C 6 3.555 0.817 -5.592 63 1H4 C 6 1H4 C 6 -2.643 0.590 -3.217 64 2H4 C 6 2H4 C 6 -2.770 0.790 -4.951 65 H5 C 6 H5 C 6 -0.540 0.533 -2.046 66 H6 C 6 H6 C 6 1.894 0.663 -2.282 67 1H5* A 7 1H5* A 7 5.366 7.502 -1.526 68 2H5* A 7 2H5* A 7 3.933 6.490 -1.247 69 H4* A 7 H4* A 7 5.384 6.940 -3.886 70 H3* A 7 H3* A 7 2.686 7.707 -2.734 71 H2* A 7 1H2* A 7 1.712 7.527 -4.860 72 2HO* A 7 2HO* A 7 2.798 8.039 -6.597 73 H1* A 7 H1* A 7 3.083 5.271 -5.674 74 H8 A 7 H8 A 7 1.954 4.910 -2.090 75 1H6 A 7 1H6 A 7 -3.549 3.197 -4.259 76 2H6 A 7 2H6 A 7 -2.551 3.335 -2.828 77 H2 A 7 H2 A 7 -1.103 4.716 -7.707 78 1H5* C 8 1H5* C 8 1.000 11.908 -5.182 79 2H5* C 8 2H5* C 8 0.468 10.308 -4.624 80 H4* C 8 H4* C 8 1.366 10.900 -7.472 81 H3* C 8 H3* C 8 -1.370 10.904 -6.155 82 H2* C 8 1H2* C 8 -2.291 10.011 -8.138 83 2HO* C 8 2HO* C 8 0.250 10.545 -9.341 84 H1* C 8 H1* C 8 -0.327 8.155 -8.571 85 1H4 C 8 1H4 C 8 -4.198 5.757 -3.765 86 2H4 C 8 2H4 C 8 -5.105 5.464 -5.232 87 H5 C 8 H5 C 8 -2.151 7.020 -3.711 88 H6 C 8 H6 C 8 -0.532 8.283 -5.045 89 1H5* C 9 1H5* C 9 -2.270 12.725 -9.782 90 2H5* C 9 2H5* C 9 -3.590 13.897 -9.591 91 H4* C 9 H4* C 9 -4.130 11.866 -11.032 92 H3* C 9 H3* C 9 -5.718 12.590 -8.550 93 H2* C 9 1H2* C 9 -7.200 10.824 -8.979 94 2HO* C 9 2HO* C 9 -5.999 10.629 -11.568 95 H1* C 9 H1* C 9 -5.308 8.993 -9.829 96 1H4 C 9 1H4 C 9 -5.387 8.679 -3.236 97 2H4 C 9 2H4 C 9 -6.743 7.694 -3.737 98 H5 C 9 H5 C 9 -4.101 10.028 -4.760 99 H6 C 9 H6 C 9 -3.821 10.707 -7.095 100 1H5* A 10 1H5* A 10 -10.797 13.033 -10.615 101 2H5* A 10 2H5* A 10 -10.044 13.678 -9.142 102 H4* A 10 H4* A 10 -10.758 10.840 -9.841 103 H3* A 10 H3* A 10 -10.948 12.695 -7.447 104 H2* A 10 1H2* A 10 -10.951 10.852 -6.002 105 2HO* A 10 2HO* A 10 -11.595 9.351 -8.334 106 H1* A 10 H1* A 10 -9.085 9.336 -7.355 107 H8 A 10 H8 A 10 -7.578 12.671 -7.346 108 1H6 A 10 1H6 A 10 -6.233 12.012 -1.376 109 2H6 A 10 2H6 A 10 -5.933 12.957 -2.817 110 H2 A 10 H2 A 10 -9.143 8.783 -2.519 111 1H5* U 11 1H5* U 11 -13.402 9.576 -6.219 112 2H5* U 11 2H5* U 11 -15.031 10.221 -6.513 113 H4* U 11 H4* U 11 -14.960 9.012 -4.370 114 H3* U 11 H3* U 11 -16.092 11.466 -4.709 115 H2* U 11 1H2* U 11 -14.239 12.768 -4.093 116 2HO* U 11 2HO* U 11 -14.653 13.557 -2.026 117 H1* U 11 H1* U 11 -13.605 11.000 -1.734 118 H3 U 11 H3 U 11 -9.747 13.152 -0.977 119 H5 U 11 H5 U 11 -10.189 13.528 -5.151 120 H6 U 11 H6 U 11 -12.257 12.275 -4.981 121 1H5* U 12 1H5* U 12 -18.646 7.665 -0.927 122 2H5* U 12 2H5* U 12 -17.777 9.187 -0.710 123 H4* U 12 H4* U 12 -16.378 6.584 -1.326 124 H3* U 12 H3* U 12 -17.782 6.967 0.977 125 H2* U 12 1H2* U 12 -16.856 8.972 1.651 126 2HO* U 12 2HO* U 12 -16.319 7.656 3.370 127 H1* U 12 H1* U 12 -14.058 8.206 0.852 128 H3 U 12 H3 U 12 -12.769 12.352 1.913 129 H5 U 12 H5 U 12 -16.451 13.012 -0.023 130 H6 U 12 H6 U 12 -16.680 10.613 -0.266 131 1H5* A 13 1H5* A 13 -17.976 4.960 -0.705 132 2H5* A 13 2H5* A 13 -18.553 3.296 -0.932 133 H4* A 13 H4* A 13 -17.293 3.526 -2.854 134 H3* A 13 H3* A 13 -16.017 2.055 -0.818 135 H2* A 13 1H2* A 13 -14.249 3.482 -0.415 136 2HO* A 13 2HO* A 13 -13.672 2.043 -2.765 137 H1* A 13 H1* A 13 -14.236 4.551 -3.236 138 H8 A 13 H8 A 13 -14.340 5.522 0.504 139 1H6 A 13 1H6 A 13 -10.291 9.909 -0.957 140 2H6 A 13 2H6 A 13 -11.135 9.119 0.357 141 H2 A 13 H2 A 13 -11.571 7.850 -4.735 142 1H5* G 14 1H5* G 14 -13.416 -0.359 -5.441 143 2H5* G 14 2H5* G 14 -13.174 0.564 -3.936 144 H4* G 14 H4* G 14 -15.147 1.579 -5.982 145 H3* G 14 H3* G 14 -12.135 1.460 -6.322 146 H2* G 14 1H2* G 14 -12.126 3.625 -7.192 147 2HO* G 14 2HO* G 14 -14.810 3.053 -7.775 148 H1* G 14 H1* G 14 -14.010 4.719 -5.510 149 H8 G 14 H8 G 14 -12.178 3.178 -2.990 150 H1 G 14 H1 G 14 -8.217 7.103 -6.068 151 1H2 G 14 1H2 G 14 -10.622 7.024 -8.593 152 2H2 G 14 2H2 G 14 -9.075 7.634 -8.046 153 1H5* G 15 1H5* G 15 -13.297 1.906 -10.446 154 2H5* G 15 2H5* G 15 -12.549 0.634 -11.449 155 H4* G 15 H4* G 15 -11.994 2.873 -12.296 156 H3* G 15 H3* G 15 -9.777 1.349 -10.895 157 H2* G 15 1H2* G 15 -8.266 3.082 -11.390 158 2HO* G 15 2HO* G 15 -10.176 3.726 -13.351 159 H1* G 15 H1* G 15 -9.963 5.166 -10.821 160 H8 G 15 H8 G 15 -10.615 2.646 -8.177 161 H1 G 15 H1 G 15 -4.985 5.505 -7.316 162 1H2 G 15 1H2 G 15 -5.440 6.692 -10.563 163 2H2 G 15 2H2 G 15 -4.425 6.640 -9.139 164 1H5* G 16 1H5* G 16 -7.500 2.751 -14.030 165 2H5* G 16 2H5* G 16 -7.223 1.302 -15.034 166 H4* G 16 H4* G 16 -5.105 2.363 -14.821 167 H3* G 16 H3* G 16 -5.442 0.183 -12.734 168 H2* G 16 1H2* G 16 -3.263 0.590 -11.971 169 2HO* G 16 2HO* G 16 -2.090 0.722 -13.844 170 H1* G 16 H1* G 16 -3.345 3.346 -12.189 171 H8 G 16 H8 G 16 -6.564 2.373 -10.631 172 H1 G 16 H1 G 16 -1.710 1.736 -6.551 173 1H2 G 16 1H2 G 16 0.301 2.108 -9.374 174 2H2 G 16 2H2 G 16 0.217 1.859 -7.645 175 1H5* A 17 1H5* A 17 -4.203 -4.276 -13.735 176 2H5* A 17 2H5* A 17 -4.831 -2.841 -12.899 177 H4* A 17 H4* A 17 -2.008 -2.841 -13.970 178 H3* A 17 H3* A 17 -3.066 -4.201 -11.474 179 H2* A 17 1H2* A 17 -1.164 -3.496 -10.281 180 2HO* A 17 2HO* A 17 0.569 -3.796 -11.541 181 H1* A 17 H1* A 17 -1.068 -0.948 -11.306 182 H8 A 17 H8 A 17 -4.633 -1.152 -10.796 183 1H6 A 17 1H6 A 17 -3.878 -1.203 -4.690 184 2H6 A 17 2H6 A 17 -5.029 -1.010 -5.994 185 H2 A 17 H2 A 17 0.120 -1.979 -6.590 186 1H5* U 18 1H5* U 18 0.512 -5.819 -11.716 187 2H5* U 18 2H5* U 18 0.666 -7.581 -11.562 188 H4* U 18 H4* U 18 1.937 -6.525 -9.777 189 H3* U 18 H3* U 18 -0.675 -7.835 -8.963 190 H2* U 18 1H2* U 18 -0.226 -7.336 -6.717 191 2HO* U 18 2HO* U 18 2.443 -6.865 -7.603 192 H1* U 18 H1* U 18 0.825 -4.815 -7.131 193 H3 U 18 H3 U 18 -3.116 -4.485 -4.806 194 H5 U 18 H5 U 18 -4.242 -4.840 -8.852 195 H6 U 18 H6 U 18 -1.928 -5.326 -9.387 196 1H5* C 19 1H5* C 19 2.474 -9.453 -6.506 197 2H5* C 19 2H5* C 19 2.354 -11.222 -6.423 198 H4* C 19 H4* C 19 2.575 -10.345 -4.164 199 H3* C 19 H3* C 19 -0.179 -11.345 -4.951 200 H2* C 19 1H2* C 19 -0.957 -10.928 -2.773 201 2HO* C 19 2HO* C 19 0.323 -11.156 -1.108 202 H1* C 19 H1* C 19 0.323 -8.519 -2.421 203 1H4 C 19 1H4 C 19 -5.164 -7.474 -5.996 204 2H4 C 19 2H4 C 19 -5.597 -7.127 -4.336 205 H5 C 19 H5 C 19 -3.018 -8.354 -6.642 206 H6 C 19 H6 C 19 -0.822 -9.086 -5.843 207 1H5* U 20 1H5* U 20 0.622 -13.199 -1.335 208 2H5* U 20 2H5* U 20 -0.043 -14.842 -1.243 209 H4* U 20 H4* U 20 -0.995 -13.330 0.498 210 H3* U 20 H3* U 20 -2.795 -14.437 -1.682 211 H2* U 20 1H2* U 20 -4.650 -13.434 -0.655 212 2HO* U 20 2HO* U 20 -4.537 -12.581 1.471 213 H1* U 20 H1* U 20 -3.399 -11.075 0.067 214 H3 U 20 H3 U 20 -6.501 -9.896 -3.026 215 H5 U 20 H5 U 20 -3.458 -11.746 -5.273 216 H6 U 20 H6 U 20 -2.385 -12.371 -3.191 217 1H5* C 21 1H5* C 21 -5.616 -17.305 1.914 218 2H5* C 21 2H5* C 21 -6.256 -17.507 0.271 219 H4* C 21 H4* C 21 -7.423 -16.097 2.499 220 H3* C 21 H3* C 21 -8.180 -16.710 -0.374 221 H2* C 21 1H2* C 21 -9.983 -15.216 -0.231 222 2HO* C 21 2HO* C 21 -11.058 -15.265 1.586 223 H1* C 21 H1* C 21 -8.689 -13.260 1.231 224 1H4 C 21 1H4 C 21 -7.099 -12.446 -5.147 225 2H4 C 21 2H4 C 21 -8.597 -11.567 -4.939 226 H5 C 21 H5 C 21 -6.114 -13.805 -3.420 227 H6 C 21 H6 C 21 -6.357 -14.626 -1.126 228 H3T C 21 H3T C 21 -8.901 -18.350 0.778 Start of MODEL 13 1 1H5* G 1 1H5* G 1 -14.742 -4.287 -13.541 2 2H5* G 1 2H5* G 1 -14.954 -3.254 -12.102 3 H4* G 1 H4* G 1 -15.933 -5.513 -11.805 4 H3* G 1 H3* G 1 -13.452 -4.807 -10.211 5 H2* G 1 1H2* G 1 -13.553 -6.875 -9.111 6 2HO* G 1 2HO* G 1 -15.962 -6.682 -8.900 7 H1* G 1 H1* G 1 -14.256 -8.390 -11.307 8 H8 G 1 H8 G 1 -11.668 -6.454 -12.868 9 H1 G 1 H1 G 1 -9.113 -9.880 -8.138 10 1H2 G 1 1H2 G 1 -12.410 -10.312 -7.088 11 2H2 G 1 2H2 G 1 -10.716 -10.646 -6.806 12 H5T G 1 H5T G 1 -12.843 -3.136 -13.005 13 1H5* G 2 1H5* G 2 -15.538 -4.188 -5.168 14 2H5* G 2 2H5* G 2 -13.827 -4.105 -5.660 15 H4* G 2 H4* G 2 -15.436 -6.337 -4.420 16 H3* G 2 H3* G 2 -12.702 -5.069 -4.084 17 H2* G 2 1H2* G 2 -11.889 -7.059 -3.131 18 2HO* G 2 2HO* G 2 -14.066 -7.319 -1.960 19 H1* G 2 H1* G 2 -13.126 -8.782 -4.881 20 H8 G 2 H8 G 2 -12.033 -6.382 -7.313 21 H1 G 2 H1 G 2 -6.921 -8.922 -4.477 22 1H2 G 2 1H2 G 2 -9.189 -10.039 -2.076 23 2H2 G 2 2H2 G 2 -7.527 -9.969 -2.615 24 1H5* G 3 1H5* G 3 -12.414 -3.378 1.231 25 2H5* G 3 2H5* G 3 -11.587 -3.246 -0.343 26 H4* G 3 H4* G 3 -11.831 -5.636 1.539 27 H3* G 3 H3* G 3 -9.580 -3.914 0.458 28 H2* G 3 1H2* G 3 -8.123 -5.748 0.553 29 2HO* G 3 2HO* G 3 -9.045 -6.395 2.707 30 H1* G 3 H1* G 3 -9.917 -7.653 -0.333 31 H8 G 3 H8 G 3 -10.680 -5.270 -2.847 32 H1 G 3 H1 G 3 -4.489 -6.700 -3.307 33 1H2 G 3 1H2 G 3 -4.871 -8.021 -0.103 34 2H2 G 3 2H2 G 3 -3.802 -7.704 -1.452 35 1H5* A 4 1H5* A 4 -7.573 -5.010 4.161 36 2H5* A 4 2H5* A 4 -7.097 -3.479 4.924 37 H4* A 4 H4* A 4 -5.122 -4.880 4.641 38 H3* A 4 H3* A 4 -5.375 -2.496 2.785 39 H2* A 4 1H2* A 4 -3.261 -2.979 1.874 40 2HO* A 4 2HO* A 4 -2.548 -3.658 4.199 41 H1* A 4 H1* A 4 -3.593 -5.699 1.719 42 H8 A 4 H8 A 4 -6.831 -4.062 0.747 43 1H6 A 4 1H6 A 4 -4.416 -3.041 -4.823 44 2H6 A 4 2H6 A 4 -5.880 -3.001 -3.866 45 H2 A 4 H2 A 4 -1.124 -4.461 -2.118 46 1H5* U 5 1H5* U 5 -1.586 -2.118 4.689 47 2H5* U 5 2H5* U 5 -1.209 -0.433 5.104 48 H4* U 5 H4* U 5 0.570 -1.412 3.707 49 H3* U 5 H3* U 5 -1.180 0.751 2.497 50 H2* U 5 1H2* U 5 0.118 0.716 0.545 51 2HO* U 5 2HO* U 5 2.015 -0.791 2.061 52 H1* U 5 H1* U 5 0.458 -2.019 0.415 53 H3 U 5 H3 U 5 -2.153 -1.029 -3.153 54 H5 U 5 H5 U 5 -4.712 -0.489 0.146 55 H6 U 5 H6 U 5 -2.809 -0.858 1.604 56 1H5* C 6 1H5* C 6 2.865 1.808 1.850 57 2H5* C 6 2H5* C 6 3.140 3.542 2.108 58 H4* C 6 H4* C 6 3.944 2.838 -0.117 59 H3* C 6 H3* C 6 1.522 4.659 0.028 60 H2* C 6 1H2* C 6 1.499 4.797 -2.316 61 2HO* C 6 2HO* C 6 3.243 4.313 -3.581 62 H1* C 6 H1* C 6 2.141 2.154 -2.815 63 1H4 C 6 1H4 C 6 -4.392 2.598 -1.762 64 2H4 C 6 2H4 C 6 -4.178 2.551 -3.497 65 H5 C 6 H5 C 6 -2.550 2.655 -0.208 66 H6 C 6 H6 C 6 -0.112 2.714 0.017 67 1H5* A 7 1H5* A 7 4.554 6.214 -2.396 68 2H5* A 7 2H5* A 7 4.690 7.981 -2.505 69 H4* A 7 H4* A 7 4.257 6.651 -4.691 70 H3* A 7 H3* A 7 3.698 9.231 -4.018 71 H2* A 7 1H2* A 7 1.545 8.951 -3.186 72 2HO* A 7 2HO* A 7 0.350 9.982 -4.615 73 H1* A 7 H1* A 7 0.731 7.005 -5.323 74 H8 A 7 H8 A 7 0.944 7.683 -1.516 75 1H6 A 7 1H6 A 7 -4.671 5.181 -1.204 76 2H6 A 7 2H6 A 7 -3.398 5.967 -0.296 77 H2 A 7 H2 A 7 -3.239 4.866 -5.450 78 1H5* C 8 1H5* C 8 1.453 11.146 -8.325 79 2H5* C 8 2H5* C 8 1.361 9.951 -7.016 80 H4* C 8 H4* C 8 1.906 8.813 -9.704 81 H3* C 8 H3* C 8 -0.643 10.325 -9.043 82 H2* C 8 1H2* C 8 -1.896 8.679 -10.146 83 2HO* C 8 2HO* C 8 0.560 7.638 -11.176 84 H1* C 8 H1* C 8 -0.434 6.502 -9.263 85 1H4 C 8 1H4 C 8 -4.790 7.954 -4.513 86 2H4 C 8 2H4 C 8 -5.718 7.061 -5.696 87 H5 C 8 H5 C 8 -2.526 8.693 -4.896 88 H6 C 8 H6 C 8 -0.640 8.662 -6.461 89 1H5* C 9 1H5* C 9 -1.129 9.231 -13.328 90 2H5* C 9 2H5* C 9 -1.155 10.842 -14.075 91 H4* C 9 H4* C 9 -2.958 9.697 -15.097 92 H3* C 9 H3* C 9 -3.884 11.396 -12.761 93 H2* C 9 1H2* C 9 -6.106 10.778 -13.178 94 2HO* C 9 2HO* C 9 -6.733 9.746 -15.114 95 H1* C 9 H1* C 9 -5.614 8.127 -13.776 96 1H4 C 9 1H4 C 9 -5.896 8.903 -7.191 97 2H4 C 9 2H4 C 9 -7.448 8.262 -7.677 98 H5 C 9 H5 C 9 -4.159 9.484 -8.757 99 H6 C 9 H6 C 9 -3.547 9.597 -11.125 100 1H5* A 10 1H5* A 10 -7.437 14.919 -14.542 101 2H5* A 10 2H5* A 10 -6.608 14.292 -13.102 102 H4* A 10 H4* A 10 -8.594 12.747 -14.824 103 H3* A 10 H3* A 10 -8.763 14.118 -12.121 104 H2* A 10 1H2* A 10 -10.231 12.463 -11.396 105 2HO* A 10 2HO* A 10 -11.130 10.920 -12.908 106 H1* A 10 H1* A 10 -8.977 10.334 -12.587 107 H8 A 10 H8 A 10 -6.143 11.918 -11.084 108 1H6 A 10 1H6 A 10 -8.323 10.839 -5.437 109 2H6 A 10 2H6 A 10 -6.916 11.293 -6.368 110 H2 A 10 H2 A 10 -11.673 10.189 -8.377 111 1H5* U 11 1H5* U 11 -12.082 12.606 -11.276 112 2H5* U 11 2H5* U 11 -13.220 13.951 -11.121 113 H4* U 11 H4* U 11 -12.959 12.515 -9.050 114 H3* U 11 H3* U 11 -13.433 15.188 -9.187 115 H2* U 11 1H2* U 11 -11.191 15.922 -9.070 116 2HO* U 11 2HO* U 11 -10.939 15.943 -6.451 117 H1* U 11 H1* U 11 -10.538 13.944 -6.896 118 H3 U 11 H3 U 11 -6.182 14.929 -7.072 119 H5 U 11 H5 U 11 -7.375 15.400 -11.085 120 H6 U 11 H6 U 11 -9.633 14.818 -10.413 121 1H5* U 12 1H5* U 12 -15.873 14.475 -4.072 122 2H5* U 12 2H5* U 12 -14.450 13.878 -3.201 123 H4* U 12 H4* U 12 -16.045 12.551 -5.389 124 H3* U 12 H3* U 12 -15.949 12.153 -2.698 125 H2* U 12 1H2* U 12 -13.691 11.686 -2.452 126 2HO* U 12 2HO* U 12 -13.465 9.259 -2.732 127 H1* U 12 H1* U 12 -13.497 10.002 -4.924 128 H3 U 12 H3 U 12 -9.087 9.923 -4.014 129 H5 U 12 H5 U 12 -10.058 14.011 -3.681 130 H6 U 12 H6 U 12 -12.379 13.424 -4.070 131 1H5* A 13 1H5* A 13 -18.758 9.049 -5.254 132 2H5* A 13 2H5* A 13 -19.661 7.837 -4.325 133 H4* A 13 H4* A 13 -18.402 6.188 -5.214 134 H3* A 13 H3* A 13 -16.650 7.039 -3.369 135 H2* A 13 1H2* A 13 -15.881 8.932 -4.606 136 2HO* A 13 2HO* A 13 -14.022 7.830 -3.974 137 H1* A 13 H1* A 13 -15.429 7.240 -7.063 138 H8 A 13 H8 A 13 -17.106 10.487 -5.779 139 1H6 A 13 1H6 A 13 -14.680 13.216 -10.710 140 2H6 A 13 2H6 A 13 -15.580 13.447 -9.233 141 H2 A 13 H2 A 13 -13.542 8.882 -10.836 142 1H5* G 14 1H5* G 14 -16.539 3.107 -5.485 143 2H5* G 14 2H5* G 14 -15.307 1.852 -5.776 144 H4* G 14 H4* G 14 -16.250 3.264 -7.775 145 H3* G 14 H3* G 14 -13.320 2.786 -7.161 146 H2* G 14 1H2* G 14 -12.705 3.973 -9.082 147 2HO* G 14 2HO* G 14 -14.293 4.574 -10.674 148 H1* G 14 H1* G 14 -14.589 5.978 -8.877 149 H8 G 14 H8 G 14 -13.408 5.715 -5.457 150 H1 G 14 H1 G 14 -8.714 7.881 -9.172 151 1H2 G 14 1H2 G 14 -10.743 6.855 -11.814 152 2H2 G 14 2H2 G 14 -9.238 7.586 -11.307 153 1H5* G 15 1H5* G 15 -12.080 -0.666 -11.568 154 2H5* G 15 2H5* G 15 -11.206 -0.268 -10.067 155 H4* G 15 H4* G 15 -11.377 1.162 -12.715 156 H3* G 15 H3* G 15 -9.271 0.549 -10.617 157 H2* G 15 1H2* G 15 -8.002 2.358 -11.375 158 2HO* G 15 2HO* G 15 -8.753 3.492 -13.371 159 H1* G 15 H1* G 15 -10.097 4.096 -11.822 160 H8 G 15 H8 G 15 -10.980 2.834 -8.563 161 H1 G 15 H1 G 15 -5.462 5.992 -8.167 162 1H2 G 15 1H2 G 15 -5.413 5.705 -11.641 163 2H2 G 15 2H2 G 15 -4.612 6.280 -10.197 164 1H5* G 16 1H5* G 16 -6.964 1.843 -13.647 165 2H5* G 16 2H5* G 16 -6.092 0.414 -14.262 166 H4* G 16 H4* G 16 -4.546 2.275 -14.070 167 H3* G 16 H3* G 16 -4.336 0.214 -11.857 168 H2* G 16 1H2* G 16 -2.529 1.380 -10.928 169 2HO* G 16 2HO* G 16 -1.986 1.986 -13.445 170 H1* G 16 H1* G 16 -3.517 3.922 -11.328 171 H8 G 16 H8 G 16 -6.424 2.057 -10.080 172 H1 G 16 H1 G 16 -2.082 2.770 -5.472 173 1H2 G 16 1H2 G 16 0.055 3.723 -8.056 174 2H2 G 16 2H2 G 16 -0.155 3.447 -6.342 175 1H5* A 17 1H5* A 17 -0.337 0.428 -13.219 176 2H5* A 17 2H5* A 17 0.265 -1.217 -13.517 177 H4* A 17 H4* A 17 1.798 -0.074 -12.009 178 H3* A 17 H3* A 17 0.032 -2.212 -10.783 179 H2* A 17 1H2* A 17 1.112 -1.924 -8.714 180 2HO* A 17 2HO* A 17 3.231 -1.445 -10.145 181 H1* A 17 H1* A 17 1.227 0.819 -8.786 182 H8 A 17 H8 A 17 -2.083 -0.412 -10.142 183 1H6 A 17 1H6 A 17 -4.038 -0.783 -4.318 184 2H6 A 17 2H6 A 17 -4.516 -0.858 -5.999 185 H2 A 17 H2 A 17 0.385 0.004 -4.255 186 1H5* U 18 1H5* U 18 3.824 -3.146 -9.528 187 2H5* U 18 2H5* U 18 4.215 -4.867 -9.721 188 H4* U 18 H4* U 18 4.598 -4.270 -7.407 189 H3* U 18 H3* U 18 2.077 -5.868 -7.942 190 H2* U 18 1H2* U 18 1.637 -5.948 -5.634 191 2HO* U 18 2HO* U 18 4.335 -5.069 -5.326 192 H1* U 18 H1* U 18 2.339 -3.348 -5.073 193 H3 U 18 H3 U 18 -2.146 -3.297 -4.530 194 H5 U 18 H5 U 18 -1.664 -3.827 -8.683 195 H6 U 18 H6 U 18 0.726 -4.011 -8.317 196 1H5* C 19 1H5* C 19 3.940 -7.671 -4.880 197 2H5* C 19 2H5* C 19 4.122 -9.431 -5.013 198 H4* C 19 H4* C 19 3.065 -9.015 -2.901 199 H3* C 19 H3* C 19 1.091 -9.862 -5.055 200 H2* C 19 1H2* C 19 -0.581 -9.935 -3.398 201 2HO* C 19 2HO* C 19 -0.128 -9.919 -1.209 202 H1* C 19 H1* C 19 0.200 -7.623 -2.106 203 1H4 C 19 1H4 C 19 -3.528 -6.093 -7.380 204 2H4 C 19 2H4 C 19 -4.583 -5.995 -5.988 205 H5 C 19 H5 C 19 -1.236 -6.817 -7.248 206 H6 C 19 H6 C 19 0.533 -7.627 -5.761 207 1H5* U 20 1H5* U 20 0.509 -12.378 -1.916 208 2H5* U 20 2H5* U 20 -0.060 -14.009 -2.331 209 H4* U 20 H4* U 20 -1.717 -12.747 -0.963 210 H3* U 20 H3* U 20 -2.391 -13.491 -3.828 211 H2* U 20 1H2* U 20 -4.551 -12.619 -3.543 212 2HO* U 20 2HO* U 20 -4.984 -13.554 -1.494 213 H1* U 20 H1* U 20 -3.822 -10.411 -2.043 214 H3 U 20 H3 U 20 -5.336 -8.633 -5.919 215 H5 U 20 H5 U 20 -1.696 -10.459 -7.009 216 H6 U 20 H6 U 20 -1.555 -11.372 -4.767 217 1H5* C 21 1H5* C 21 -6.288 -17.131 -3.279 218 2H5* C 21 2H5* C 21 -5.876 -16.042 -4.619 219 H4* C 21 H4* C 21 -8.055 -15.773 -2.549 220 H3* C 21 H3* C 21 -7.790 -15.600 -5.567 221 H2* C 21 1H2* C 21 -9.622 -14.138 -5.656 222 2HO* C 21 2HO* C 21 -11.148 -14.983 -4.356 223 H1* C 21 H1* C 21 -8.992 -12.662 -3.408 224 1H4 C 21 1H4 C 21 -5.405 -10.259 -8.421 225 2H4 C 21 2H4 C 21 -6.968 -9.490 -8.586 226 H5 C 21 H5 C 21 -4.953 -11.995 -6.816 227 H6 C 21 H6 C 21 -5.897 -13.368 -5.021 228 H3T C 21 H3T C 21 -9.787 -16.722 -3.854 Start of MODEL 14 1 1H5* G 1 1H5* G 1 -10.768 -2.526 -9.029 2 2H5* G 1 2H5* G 1 -12.115 -1.449 -9.484 3 H4* G 1 H4* G 1 -13.686 -3.113 -8.982 4 H3* G 1 H3* G 1 -11.600 -4.128 -7.028 5 H2* G 1 1H2* G 1 -12.531 -6.283 -7.149 6 2HO* G 1 2HO* G 1 -14.737 -5.072 -8.507 7 H1* G 1 H1* G 1 -12.964 -6.305 -9.865 8 H8 G 1 H8 G 1 -9.703 -4.927 -10.083 9 H1 G 1 H1 G 1 -9.241 -10.578 -7.169 10 1H2 G 1 1H2 G 1 -12.686 -10.292 -6.726 11 2H2 G 1 2H2 G 1 -11.238 -11.240 -6.470 12 H5T G 1 H5T G 1 -12.607 -1.438 -7.164 13 1H5* G 2 1H5* G 2 -15.202 -5.637 -4.268 14 2H5* G 2 2H5* G 2 -14.630 -4.623 -2.916 15 H4* G 2 H4* G 2 -14.930 -7.062 -2.356 16 H3* G 2 H3* G 2 -12.175 -5.791 -2.282 17 H2* G 2 1H2* G 2 -11.267 -7.805 -1.476 18 2HO* G 2 2HO* G 2 -12.397 -9.094 -0.239 19 H1* G 2 H1* G 2 -12.664 -9.483 -3.137 20 H8 G 2 H8 G 2 -11.782 -6.710 -5.376 21 H1 G 2 H1 G 2 -6.565 -9.972 -3.716 22 1H2 G 2 1H2 G 2 -8.605 -11.393 -1.273 23 2H2 G 2 2H2 G 2 -7.017 -11.305 -2.001 24 1H5* G 3 1H5* G 3 -12.142 -8.084 2.297 25 2H5* G 3 2H5* G 3 -12.156 -6.406 2.903 26 H4* G 3 H4* G 3 -10.344 -7.718 3.930 27 H3* G 3 H3* G 3 -9.511 -5.657 1.861 28 H2* G 3 1H2* G 3 -7.250 -6.114 2.366 29 2HO* G 3 2HO* G 3 -8.090 -6.557 4.776 30 H1* G 3 H1* G 3 -7.514 -8.835 2.400 31 H8 G 3 H8 G 3 -9.718 -7.478 -0.322 32 H1 G 3 H1 G 3 -3.567 -7.450 -1.973 33 1H2 G 3 1H2 G 3 -2.983 -8.204 1.382 34 2H2 G 3 2H2 G 3 -2.304 -7.896 -0.201 35 1H5* A 4 1H5* A 4 -7.150 -4.753 5.232 36 2H5* A 4 2H5* A 4 -6.622 -3.059 5.217 37 H4* A 4 H4* A 4 -4.805 -4.879 4.939 38 H3* A 4 H3* A 4 -5.191 -2.537 3.044 39 H2* A 4 1H2* A 4 -3.265 -3.208 1.875 40 2HO* A 4 2HO* A 4 -2.695 -4.585 4.268 41 H1* A 4 H1* A 4 -3.754 -5.927 1.988 42 H8 A 4 H8 A 4 -6.990 -4.310 1.116 43 1H6 A 4 1H6 A 4 -4.924 -3.594 -4.640 44 2H6 A 4 2H6 A 4 -6.327 -3.510 -3.599 45 H2 A 4 H2 A 4 -1.459 -4.840 -2.062 46 1H5* U 5 1H5* U 5 -1.188 -2.779 4.104 47 2H5* U 5 2H5* U 5 -0.451 -1.198 4.435 48 H4* U 5 H4* U 5 0.844 -2.462 2.748 49 H3* U 5 H3* U 5 -0.627 0.041 1.861 50 H2* U 5 1H2* U 5 0.324 -0.179 -0.273 51 2HO* U 5 2HO* U 5 2.195 -1.813 1.077 52 H1* U 5 H1* U 5 0.120 -2.931 -0.443 53 H3 U 5 H3 U 5 -2.637 -1.234 -3.635 54 H5 U 5 H5 U 5 -4.744 -0.681 -0.028 55 H6 U 5 H6 U 5 -2.757 -1.394 1.167 56 1H5* C 6 1H5* C 6 3.551 0.266 0.548 57 2H5* C 6 2H5* C 6 4.161 1.856 1.047 58 H4* C 6 H4* C 6 4.778 1.526 -1.267 59 H3* C 6 H3* C 6 2.452 3.416 -0.799 60 H2* C 6 1H2* C 6 2.330 3.856 -3.102 61 2HO* C 6 2HO* C 6 3.995 3.266 -4.537 62 H1* C 6 H1* C 6 2.794 1.277 -3.967 63 1H4 C 6 1H4 C 6 -3.606 1.915 -2.337 64 2H4 C 6 2H4 C 6 -3.535 1.898 -4.084 65 H5 C 6 H5 C 6 -1.649 1.858 -0.937 66 H6 C 6 H6 C 6 0.798 1.789 -0.907 67 1H5* A 7 1H5* A 7 5.403 5.030 -3.108 68 2H5* A 7 2H5* A 7 5.847 6.738 -2.925 69 H4* A 7 H4* A 7 5.220 6.021 -5.282 70 H3* A 7 H3* A 7 4.809 8.418 -4.055 71 H2* A 7 1H2* A 7 2.661 8.060 -3.238 72 2HO* A 7 2HO* A 7 1.297 9.237 -4.494 73 H1* A 7 H1* A 7 1.712 6.677 -5.730 74 H8 A 7 H8 A 7 1.983 6.546 -1.872 75 1H6 A 7 1H6 A 7 -3.718 4.233 -1.986 76 2H6 A 7 2H6 A 7 -2.414 4.784 -0.958 77 H2 A 7 H2 A 7 -2.318 4.715 -6.232 78 1H5* C 8 1H5* C 8 2.557 11.429 -7.694 79 2H5* C 8 2H5* C 8 2.347 9.955 -6.726 80 H4* C 8 H4* C 8 2.643 9.598 -9.682 81 H3* C 8 H3* C 8 0.247 10.878 -8.320 82 H2* C 8 1H2* C 8 -1.163 9.697 -9.788 83 2HO* C 8 2HO* C 8 -0.556 9.112 -11.740 84 H1* C 8 H1* C 8 0.220 7.317 -9.694 85 1H4 C 8 1H4 C 8 -3.628 7.591 -4.319 86 2H4 C 8 2H4 C 8 -4.694 7.050 -5.597 87 H5 C 8 H5 C 8 -1.360 8.301 -4.707 88 H6 C 8 H6 C 8 0.380 8.645 -6.396 89 1H5* C 9 1H5* C 9 -0.352 11.737 -12.715 90 2H5* C 9 2H5* C 9 -1.306 13.233 -12.784 91 H4* C 9 H4* C 9 -2.354 11.166 -13.881 92 H3* C 9 H3* C 9 -3.726 12.785 -11.708 93 H2* C 9 1H2* C 9 -5.634 11.436 -11.932 94 2HO* C 9 2HO* C 9 -5.883 9.992 -13.707 95 H1* C 9 H1* C 9 -4.311 9.031 -12.283 96 1H4 C 9 1H4 C 9 -4.741 10.101 -5.773 97 2H4 C 9 2H4 C 9 -6.207 9.243 -6.196 98 H5 C 9 H5 C 9 -3.149 10.884 -7.403 99 H6 C 9 H6 C 9 -2.616 11.013 -9.790 100 1H5* A 10 1H5* A 10 -6.739 12.581 -14.219 101 2H5* A 10 2H5* A 10 -7.735 14.053 -14.202 102 H4* A 10 H4* A 10 -8.930 12.101 -13.211 103 H3* A 10 H3* A 10 -8.179 14.470 -11.469 104 H2* A 10 1H2* A 10 -9.267 13.476 -9.631 105 2HO* A 10 2HO* A 10 -10.742 12.282 -11.599 106 H1* A 10 H1* A 10 -8.380 10.916 -10.066 107 H8 A 10 H8 A 10 -5.671 13.458 -10.790 108 1H6 A 10 1H6 A 10 -4.365 13.401 -4.778 109 2H6 A 10 2H6 A 10 -3.852 13.965 -6.352 110 H2 A 10 H2 A 10 -8.146 11.054 -5.411 111 1H5* U 11 1H5* U 11 -11.897 13.669 -10.498 112 2H5* U 11 2H5* U 11 -13.015 15.048 -10.475 113 H4* U 11 H4* U 11 -12.924 13.757 -8.310 114 H3* U 11 H3* U 11 -13.203 16.443 -8.619 115 H2* U 11 1H2* U 11 -10.925 17.030 -8.488 116 2HO* U 11 2HO* U 11 -11.406 18.317 -6.865 117 H1* U 11 H1* U 11 -10.446 15.164 -6.172 118 H3 U 11 H3 U 11 -6.028 15.867 -6.326 119 H5 U 11 H5 U 11 -7.154 16.320 -10.360 120 H6 U 11 H6 U 11 -9.437 15.834 -9.708 121 1H5* U 12 1H5* U 12 -16.214 15.379 -4.460 122 2H5* U 12 2H5* U 12 -15.490 15.893 -2.928 123 H4* U 12 H4* U 12 -15.246 13.365 -4.274 124 H3* U 12 H3* U 12 -15.329 14.272 -1.708 125 H2* U 12 1H2* U 12 -13.249 15.258 -1.583 126 2HO* U 12 2HO* U 12 -11.714 13.323 -0.966 127 H1* U 12 H1* U 12 -11.848 13.093 -3.126 128 H3 U 12 H3 U 12 -8.212 15.719 -2.822 129 H5 U 12 H5 U 12 -11.230 18.421 -3.980 130 H6 U 12 H6 U 12 -12.826 16.599 -3.836 131 1H5* A 13 1H5* A 13 -18.754 10.542 -2.891 132 2H5* A 13 2H5* A 13 -17.366 9.588 -2.333 133 H4* A 13 H4* A 13 -18.377 9.580 -4.906 134 H3* A 13 H3* A 13 -15.627 8.913 -3.815 135 H2* A 13 1H2* A 13 -15.063 8.345 -6.086 136 2HO* A 13 2HO* A 13 -17.263 7.542 -6.581 137 H1* A 13 H1* A 13 -15.871 10.683 -7.085 138 H8 A 13 H8 A 13 -14.806 10.850 -3.409 139 1H6 A 13 1H6 A 13 -9.227 12.411 -5.400 140 2H6 A 13 2H6 A 13 -10.252 12.225 -3.996 141 H2 A 13 H2 A 13 -11.728 11.356 -8.973 142 1H5* G 14 1H5* G 14 -16.812 5.388 -6.177 143 2H5* G 14 2H5* G 14 -15.562 4.130 -5.987 144 H4* G 14 H4* G 14 -15.810 5.604 -8.211 145 H3* G 14 H3* G 14 -13.270 4.795 -6.763 146 H2* G 14 1H2* G 14 -11.990 5.893 -8.379 147 2HO* G 14 2HO* G 14 -13.557 6.837 -10.219 148 H1* G 14 H1* G 14 -13.623 8.097 -8.703 149 H8 G 14 H8 G 14 -13.521 7.968 -5.126 150 H1 G 14 H1 G 14 -7.615 8.899 -7.350 151 1H2 G 14 1H2 G 14 -8.982 7.974 -10.421 152 2H2 G 14 2H2 G 14 -7.565 8.478 -9.530 153 1H5* G 15 1H5* G 15 -13.401 2.968 -10.735 154 2H5* G 15 2H5* G 15 -12.565 1.408 -10.958 155 H4* G 15 H4* G 15 -11.823 3.302 -12.479 156 H3* G 15 H3* G 15 -9.896 2.005 -10.525 157 H2* G 15 1H2* G 15 -8.155 3.315 -11.386 158 2HO* G 15 2HO* G 15 -9.892 4.112 -13.511 159 H1* G 15 H1* G 15 -9.600 5.647 -11.681 160 H8 G 15 H8 G 15 -10.581 4.423 -8.357 161 H1 G 15 H1 G 15 -4.515 6.379 -8.339 162 1H2 G 15 1H2 G 15 -4.814 6.322 -11.814 163 2H2 G 15 2H2 G 15 -3.795 6.632 -10.426 164 1H5* G 16 1H5* G 16 -7.657 2.544 -13.733 165 2H5* G 16 2H5* G 16 -7.215 0.962 -14.427 166 H4* G 16 H4* G 16 -5.249 2.373 -14.380 167 H3* G 16 H3* G 16 -5.349 0.334 -12.134 168 H2* G 16 1H2* G 16 -3.206 1.012 -11.449 169 2HO* G 16 2HO* G 16 -2.383 1.126 -13.676 170 H1* G 16 H1* G 16 -3.602 3.719 -11.819 171 H8 G 16 H8 G 16 -6.707 2.542 -10.208 172 H1 G 16 H1 G 16 -1.837 2.449 -6.097 173 1H2 G 16 1H2 G 16 0.159 2.866 -8.926 174 2H2 G 16 2H2 G 16 0.081 2.679 -7.188 175 1H5* A 17 1H5* A 17 -1.993 -0.844 -14.298 176 2H5* A 17 2H5* A 17 -1.611 -2.577 -14.251 177 H4* A 17 H4* A 17 0.093 -1.195 -13.069 178 H3* A 17 H3* A 17 -1.622 -3.117 -11.457 179 H2* A 17 1H2* A 17 -0.313 -2.627 -9.566 180 2HO* A 17 2HO* A 17 1.503 -1.373 -11.383 181 H1* A 17 H1* A 17 -0.110 0.088 -10.036 182 H8 A 17 H8 A 17 -3.646 -0.910 -10.723 183 1H6 A 17 1H6 A 17 -4.653 -0.917 -4.649 184 2H6 A 17 2H6 A 17 -5.404 -0.991 -6.227 185 H2 A 17 H2 A 17 -0.225 -0.594 -5.323 186 1H5* U 18 1H5* U 18 2.493 -4.216 -10.897 187 2H5* U 18 2H5* U 18 2.719 -5.973 -10.780 188 H4* U 18 H4* U 18 3.679 -4.817 -8.819 189 H3* U 18 H3* U 18 1.220 -6.547 -8.413 190 H2* U 18 1H2* U 18 1.346 -6.172 -6.102 191 2HO* U 18 2HO* U 18 3.898 -4.947 -6.476 192 H1* U 18 H1* U 18 2.027 -3.501 -6.237 193 H3 U 18 H3 U 18 -2.143 -3.637 -4.435 194 H5 U 18 H5 U 18 -2.754 -4.458 -8.523 195 H6 U 18 H6 U 18 -0.347 -4.556 -8.797 196 1H5* C 19 1H5* C 19 4.163 -8.206 -5.572 197 2H5* C 19 2H5* C 19 4.072 -9.972 -5.740 198 H4* C 19 H4* C 19 3.820 -9.363 -3.388 199 H3* C 19 H3* C 19 1.322 -10.326 -4.819 200 H2* C 19 1H2* C 19 0.137 -10.231 -2.789 201 2HO* C 19 2HO* C 19 1.289 -9.803 -0.789 202 H1* C 19 H1* C 19 1.201 -7.848 -1.914 203 1H4 C 19 1H4 C 19 -3.619 -6.551 -6.279 204 2H4 C 19 2H4 C 19 -4.365 -6.468 -4.699 205 H5 C 19 H5 C 19 -1.329 -7.219 -6.623 206 H6 C 19 H6 C 19 0.731 -7.966 -5.529 207 1H5* U 20 1H5* U 20 1.176 -13.024 -1.682 208 2H5* U 20 2H5* U 20 0.423 -14.528 -2.254 209 H4* U 20 H4* U 20 -0.960 -13.192 -0.594 210 H3* U 20 H3* U 20 -1.971 -13.836 -3.383 211 H2* U 20 1H2* U 20 -4.041 -12.872 -2.840 212 2HO* U 20 2HO* U 20 -4.241 -13.832 -0.746 213 H1* U 20 H1* U 20 -3.032 -10.724 -1.428 214 H3 U 20 H3 U 20 -5.066 -9.229 -5.245 215 H5 U 20 H5 U 20 -1.249 -10.517 -6.477 216 H6 U 20 H6 U 20 -0.912 -11.433 -4.257 217 1H5* C 21 1H5* C 21 -5.455 -15.135 -0.603 218 2H5* C 21 2H5* C 21 -5.672 -16.774 -1.247 219 H4* C 21 H4* C 21 -7.830 -15.606 -1.150 220 H3* C 21 H3* C 21 -6.641 -16.122 -3.895 221 H2* C 21 1H2* C 21 -8.571 -15.232 -4.891 222 2HO* C 21 2HO* C 21 -9.978 -16.392 -3.304 223 H1* C 21 H1* C 21 -8.948 -13.159 -3.097 224 1H4 C 21 1H4 C 21 -4.546 -11.379 -7.738 225 2H4 C 21 2H4 C 21 -6.058 -10.613 -8.173 226 H5 C 21 H5 C 21 -4.315 -12.879 -5.868 227 H6 C 21 H6 C 21 -5.487 -13.986 -4.024 228 H3T C 21 H3T C 21 -8.783 -17.272 -2.380 Start of MODEL 15 1 1H5* G 1 1H5* G 1 -13.850 -6.836 -7.999 2 2H5* G 1 2H5* G 1 -15.449 -7.000 -8.770 3 H4* G 1 H4* G 1 -16.156 -8.474 -6.969 4 H3* G 1 H3* G 1 -13.596 -7.520 -5.649 5 H2* G 1 1H2* G 1 -13.375 -9.600 -4.575 6 2HO* G 1 2HO* G 1 -15.988 -10.288 -5.504 7 H1* G 1 H1* G 1 -14.088 -11.155 -6.724 8 H8 G 1 H8 G 1 -11.957 -8.546 -8.227 9 H1 G 1 H1 G 1 -8.487 -12.510 -4.637 10 1H2 G 1 1H2 G 1 -11.565 -13.622 -3.432 11 2H2 G 1 2H2 G 1 -9.821 -13.764 -3.383 12 H5T G 1 H5T G 1 -14.683 -5.514 -6.503 13 1H5* G 2 1H5* G 2 -15.327 -9.681 -2.623 14 2H5* G 2 2H5* G 2 -16.007 -8.450 -1.526 15 H4* G 2 H4* G 2 -15.082 -10.001 -0.041 16 H3* G 2 H3* G 2 -12.919 -8.004 -0.773 17 H2* G 2 1H2* G 2 -11.415 -9.115 0.653 18 2HO* G 2 2HO* G 2 -12.225 -10.876 2.020 19 H1* G 2 H1* G 2 -12.146 -11.671 -0.052 20 H8 G 2 H8 G 2 -12.058 -9.395 -3.074 21 H1 G 2 H1 G 2 -6.278 -11.433 -1.335 22 1H2 G 2 1H2 G 2 -7.890 -12.609 1.521 23 2H2 G 2 2H2 G 2 -6.389 -12.439 0.639 24 1H5* G 3 1H5* G 3 -12.453 -6.773 3.605 25 2H5* G 3 2H5* G 3 -11.799 -5.158 3.228 26 H4* G 3 H4* G 3 -10.312 -7.120 4.284 27 H3* G 3 H3* G 3 -9.507 -5.225 2.041 28 H2* G 3 1H2* G 3 -7.328 -6.137 2.202 29 2HO* G 3 2HO* G 3 -6.756 -6.499 4.229 30 H1* G 3 H1* G 3 -8.172 -8.749 2.396 31 H8 G 3 H8 G 3 -10.416 -7.420 -0.177 32 H1 G 3 H1 G 3 -4.427 -7.620 -2.353 33 1H2 G 3 1H2 G 3 -3.559 -8.127 0.985 34 2H2 G 3 2H2 G 3 -3.019 -7.954 -0.670 35 1H5* A 4 1H5* A 4 -6.764 -4.458 5.147 36 2H5* A 4 2H5* A 4 -6.073 -2.823 5.136 37 H4* A 4 H4* A 4 -4.425 -4.731 4.732 38 H3* A 4 H3* A 4 -4.819 -2.445 2.774 39 H2* A 4 1H2* A 4 -3.076 -3.296 1.454 40 2HO* A 4 2HO* A 4 -1.721 -3.747 3.375 41 H1* A 4 H1* A 4 -3.716 -5.971 1.745 42 H8 A 4 H8 A 4 -6.984 -4.489 1.050 43 1H6 A 4 1H6 A 4 -5.333 -3.640 -4.821 44 2H6 A 4 2H6 A 4 -6.674 -3.663 -3.697 45 H2 A 4 H2 A 4 -1.635 -4.606 -2.460 46 1H5* U 5 1H5* U 5 -0.688 -2.362 4.182 47 2H5* U 5 2H5* U 5 -0.017 -0.722 4.308 48 H4* U 5 H4* U 5 1.352 -2.213 2.843 49 H3* U 5 H3* U 5 -0.053 0.211 1.678 50 H2* U 5 1H2* U 5 0.911 -0.220 -0.416 51 2HO* U 5 2HO* U 5 2.987 -0.949 0.903 52 H1* U 5 H1* U 5 0.654 -2.969 -0.354 53 H3 U 5 H3 U 5 -2.105 -1.449 -3.640 54 H5 U 5 H5 U 5 -4.195 -0.689 -0.065 55 H6 U 5 H6 U 5 -2.202 -1.327 1.161 56 1H5* C 6 1H5* C 6 4.221 0.534 0.190 57 2H5* C 6 2H5* C 6 4.620 2.198 0.665 58 H4* C 6 H4* C 6 5.170 1.847 -1.701 59 H3* C 6 H3* C 6 2.801 3.624 -1.047 60 H2* C 6 1H2* C 6 2.495 4.089 -3.328 61 2HO* C 6 2HO* C 6 4.080 3.569 -4.890 62 H1* C 6 H1* C 6 3.004 1.543 -4.266 63 1H4 C 6 1H4 C 6 -3.274 1.865 -2.142 64 2H4 C 6 2H4 C 6 -3.339 1.921 -3.888 65 H5 C 6 H5 C 6 -1.214 1.821 -0.898 66 H6 C 6 H6 C 6 1.229 1.859 -1.056 67 1H5* A 7 1H5* A 7 5.804 5.601 -3.359 68 2H5* A 7 2H5* A 7 6.003 7.349 -3.128 69 H4* A 7 H4* A 7 5.516 6.534 -5.520 70 H3* A 7 H3* A 7 4.932 8.905 -4.313 71 H2* A 7 1H2* A 7 2.798 8.413 -3.526 72 2HO* A 7 2HO* A 7 1.359 9.460 -4.834 73 H1* A 7 H1* A 7 1.982 6.954 -6.020 74 H8 A 7 H8 A 7 2.195 6.870 -2.157 75 1H6 A 7 1H6 A 7 -3.349 4.204 -2.363 76 2H6 A 7 2H6 A 7 -2.109 4.855 -1.314 77 H2 A 7 H2 A 7 -1.883 4.722 -6.581 78 1H5* C 8 1H5* C 8 2.552 11.811 -7.983 79 2H5* C 8 2H5* C 8 2.389 10.343 -6.998 80 H4* C 8 H4* C 8 2.694 10.006 -9.963 81 H3* C 8 H3* C 8 0.229 11.080 -8.544 82 H2* C 8 1H2* C 8 -1.104 9.820 -10.023 83 2HO* C 8 2HO* C 8 0.837 10.280 -11.745 84 H1* C 8 H1* C 8 0.470 7.556 -9.985 85 1H4 C 8 1H4 C 8 -3.325 7.373 -4.574 86 2H4 C 8 2H4 C 8 -4.334 6.726 -5.848 87 H5 C 8 H5 C 8 -1.163 8.356 -4.975 88 H6 C 8 H6 C 8 0.517 8.898 -6.674 89 1H5* C 9 1H5* C 9 -0.759 12.161 -12.723 90 2H5* C 9 2H5* C 9 -1.822 13.578 -12.602 91 H4* C 9 H4* C 9 -2.866 11.463 -13.604 92 H3* C 9 H3* C 9 -4.010 12.919 -11.197 93 H2* C 9 1H2* C 9 -5.821 11.430 -11.163 94 2HO* C 9 2HO* C 9 -4.981 10.403 -13.691 95 H1* C 9 H1* C 9 -4.399 9.139 -11.776 96 1H4 C 9 1H4 C 9 -3.869 10.185 -5.263 97 2H4 C 9 2H4 C 9 -5.311 9.214 -5.457 98 H5 C 9 H5 C 9 -2.618 11.077 -7.115 99 H6 C 9 H6 C 9 -2.474 11.227 -9.554 100 1H5* A 10 1H5* A 10 -7.489 12.476 -13.200 101 2H5* A 10 2H5* A 10 -8.571 13.814 -12.761 102 H4* A 10 H4* A 10 -9.187 11.528 -11.795 103 H3* A 10 H3* A 10 -8.677 13.985 -10.088 104 H2* A 10 1H2* A 10 -9.225 12.763 -8.151 105 2HO* A 10 2HO* A 10 -10.036 10.519 -8.445 106 H1* A 10 H1* A 10 -7.908 10.452 -8.835 107 H8 A 10 H8 A 10 -5.810 13.408 -9.853 108 1H6 A 10 1H6 A 10 -3.844 13.730 -4.029 109 2H6 A 10 2H6 A 10 -3.607 14.323 -5.657 110 H2 A 10 H2 A 10 -7.253 10.805 -4.192 111 1H5* U 11 1H5* U 11 -11.773 12.392 -8.438 112 2H5* U 11 2H5* U 11 -13.251 13.372 -8.521 113 H4* U 11 H4* U 11 -12.901 12.469 -6.246 114 H3* U 11 H3* U 11 -13.631 15.031 -6.810 115 H2* U 11 1H2* U 11 -11.496 16.010 -6.779 116 2HO* U 11 2HO* U 11 -11.871 17.357 -5.203 117 H1* U 11 H1* U 11 -10.660 14.475 -4.329 118 H3 U 11 H3 U 11 -6.423 15.846 -4.708 119 H5 U 11 H5 U 11 -7.696 15.740 -8.722 120 H6 U 11 H6 U 11 -9.864 14.982 -7.948 121 1H5* U 12 1H5* U 12 -16.321 13.906 -2.437 122 2H5* U 12 2H5* U 12 -15.686 14.771 -1.028 123 H4* U 12 H4* U 12 -14.893 12.219 -2.118 124 H3* U 12 H3* U 12 -15.205 13.345 0.340 125 H2* U 12 1H2* U 12 -13.412 14.795 0.329 126 2HO* U 12 2HO* U 12 -12.133 12.344 1.060 127 H1* U 12 H1* U 12 -11.530 12.876 -1.015 128 H3 U 12 H3 U 12 -8.595 16.266 -1.180 129 H5 U 12 H5 U 12 -12.183 18.073 -2.450 130 H6 U 12 H6 U 12 -13.316 15.971 -2.030 131 1H5* A 13 1H5* A 13 -17.861 10.197 -2.300 132 2H5* A 13 2H5* A 13 -17.412 9.100 -0.979 133 H4* A 13 H4* A 13 -16.722 8.664 -3.565 134 H3* A 13 H3* A 13 -15.947 7.655 -1.016 135 H2* A 13 1H2* A 13 -13.784 8.427 -1.006 136 2HO* A 13 2HO* A 13 -13.166 6.383 -1.379 137 H1* A 13 H1* A 13 -13.622 8.544 -4.018 138 H8 A 13 H8 A 13 -13.052 10.422 -0.696 139 1H6 A 13 1H6 A 13 -8.018 12.755 -3.339 140 2H6 A 13 2H6 A 13 -8.926 12.626 -1.849 141 H2 A 13 H2 A 13 -10.247 10.379 -6.423 142 1H5* G 14 1H5* G 14 -14.055 3.217 -4.077 143 2H5* G 14 2H5* G 14 -13.706 4.609 -3.019 144 H4* G 14 H4* G 14 -15.246 5.121 -5.548 145 H3* G 14 H3* G 14 -12.382 4.127 -5.450 146 H2* G 14 1H2* G 14 -11.767 5.670 -7.090 147 2HO* G 14 2HO* G 14 -13.483 5.345 -8.548 148 H1* G 14 H1* G 14 -13.282 7.788 -6.187 149 H8 G 14 H8 G 14 -11.941 6.859 -3.075 150 H1 G 14 H1 G 14 -7.084 8.330 -6.930 151 1H2 G 14 1H2 G 14 -9.436 7.986 -9.486 152 2H2 G 14 2H2 G 14 -7.781 8.340 -9.041 153 1H5* G 15 1H5* G 15 -13.317 2.571 -10.860 154 2H5* G 15 2H5* G 15 -12.088 1.571 -10.044 155 H4* G 15 H4* G 15 -11.738 3.394 -12.169 156 H3* G 15 H3* G 15 -9.861 2.036 -10.207 157 H2* G 15 1H2* G 15 -8.057 3.248 -11.110 158 2HO* G 15 2HO* G 15 -8.434 4.604 -13.019 159 H1* G 15 H1* G 15 -9.352 5.656 -11.298 160 H8 G 15 H8 G 15 -10.493 4.254 -8.068 161 H1 G 15 H1 G 15 -4.384 6.047 -7.775 162 1H2 G 15 1H2 G 15 -4.606 6.250 -11.250 163 2H2 G 15 2H2 G 15 -3.612 6.433 -9.822 164 1H5* G 16 1H5* G 16 -7.791 2.392 -13.568 165 2H5* G 16 2H5* G 16 -7.227 0.820 -14.192 166 H4* G 16 H4* G 16 -5.415 2.483 -14.181 167 H3* G 16 H3* G 16 -5.254 0.318 -12.056 168 H2* G 16 1H2* G 16 -3.142 1.139 -11.434 169 2HO* G 16 2HO* G 16 -3.219 2.719 -13.817 170 H1* G 16 H1* G 16 -3.785 3.818 -11.645 171 H8 G 16 H8 G 16 -6.675 2.318 -9.920 172 H1 G 16 H1 G 16 -1.569 2.434 -6.106 173 1H2 G 16 1H2 G 16 0.210 3.128 -9.023 174 2H2 G 16 2H2 G 16 0.255 2.860 -7.296 175 1H5* A 17 1H5* A 17 -1.791 -0.120 -14.066 176 2H5* A 17 2H5* A 17 -1.183 -1.779 -14.250 177 H4* A 17 H4* A 17 0.365 -0.411 -12.896 178 H3* A 17 H3* A 17 -1.169 -2.631 -11.505 179 H2* A 17 1H2* A 17 0.035 -2.205 -9.535 180 2HO* A 17 2HO* A 17 1.863 -0.749 -9.566 181 H1* A 17 H1* A 17 0.007 0.549 -9.738 182 H8 A 17 H8 A 17 -3.402 -0.729 -10.625 183 1H6 A 17 1H6 A 17 -4.534 -1.337 -4.604 184 2H6 A 17 2H6 A 17 -5.239 -1.360 -6.206 185 H2 A 17 H2 A 17 -0.150 -0.500 -5.121 186 1H5* U 18 1H5* U 18 2.673 -3.313 -10.419 187 2H5* U 18 2H5* U 18 3.132 -5.027 -10.485 188 H4* U 18 H4* U 18 3.489 -4.158 -8.225 189 H3* U 18 H3* U 18 1.146 -6.057 -8.588 190 H2* U 18 1H2* U 18 0.808 -6.022 -6.267 191 2HO* U 18 2HO* U 18 2.430 -4.842 -4.927 192 H1* U 18 H1* U 18 1.290 -3.323 -5.919 193 H3 U 18 H3 U 18 -3.096 -3.996 -4.941 194 H5 U 18 H5 U 18 -2.927 -4.230 -9.144 195 H6 U 18 H6 U 18 -0.509 -4.122 -8.989 196 1H5* C 19 1H5* C 19 4.036 -7.475 -5.419 197 2H5* C 19 2H5* C 19 4.074 -9.249 -5.478 198 H4* C 19 H4* C 19 3.731 -8.390 -3.166 199 H3* C 19 H3* C 19 1.510 -9.954 -4.523 200 H2* C 19 1H2* C 19 0.246 -9.856 -2.548 201 2HO* C 19 2HO* C 19 1.134 -9.753 -0.611 202 H1* C 19 H1* C 19 0.897 -7.259 -1.856 203 1H4 C 19 1H4 C 19 -4.094 -7.051 -6.206 204 2H4 C 19 2H4 C 19 -4.829 -6.935 -4.623 205 H5 C 19 H5 C 19 -1.740 -7.439 -6.543 206 H6 C 19 H6 C 19 0.418 -7.783 -5.436 207 1H5* U 20 1H5* U 20 2.221 -12.359 -0.296 208 2H5* U 20 2H5* U 20 2.035 -13.942 -1.078 209 H4* U 20 H4* U 20 0.485 -13.532 0.892 210 H3* U 20 H3* U 20 -0.531 -14.147 -1.900 211 H2* U 20 1H2* U 20 -2.743 -14.145 -1.109 212 2HO* U 20 2HO* U 20 -3.109 -13.971 1.240 213 H1* U 20 H1* U 20 -2.499 -11.970 0.565 214 H3 U 20 H3 U 20 -5.131 -10.367 -2.741 215 H5 U 20 H5 U 20 -1.397 -10.881 -4.618 216 H6 U 20 H6 U 20 -0.582 -11.905 -2.577 217 1H5* C 21 1H5* C 21 -2.868 -19.040 -0.900 218 2H5* C 21 2H5* C 21 -3.032 -17.974 -2.310 219 H4* C 21 H4* C 21 -4.847 -18.307 0.057 220 H3* C 21 H3* C 21 -5.085 -17.931 -2.944 221 H2* C 21 1H2* C 21 -7.242 -17.046 -2.677 222 2HO* C 21 2HO* C 21 -8.493 -17.869 -1.195 223 H1* C 21 H1* C 21 -6.716 -15.543 -0.419 224 1H4 C 21 1H4 C 21 -4.685 -12.120 -5.717 225 2H4 C 21 2H4 C 21 -6.373 -11.700 -5.526 226 H5 C 21 H5 C 21 -3.578 -13.782 -4.381 227 H6 C 21 H6 C 21 -3.848 -15.421 -2.584 228 H3T C 21 H3T C 21 -5.356 -20.019 -2.512 Start of MODEL 16 1 1H5* G 1 1H5* G 1 -14.592 -7.930 -8.228 2 2H5* G 1 2H5* G 1 -16.100 -7.069 -7.823 3 H4* G 1 H4* G 1 -16.500 -8.586 -6.178 4 H3* G 1 H3* G 1 -13.659 -7.922 -5.346 5 H2* G 1 1H2* G 1 -13.632 -9.804 -3.934 6 2HO* G 1 2HO* G 1 -15.554 -10.998 -3.500 7 H1* G 1 H1* G 1 -14.874 -11.530 -5.673 8 H8 G 1 H8 G 1 -12.675 -9.881 -8.019 9 H1 G 1 H1 G 1 -9.171 -13.045 -3.736 10 1H2 G 1 1H2 G 1 -12.125 -13.219 -1.895 11 2H2 G 1 2H2 G 1 -10.424 -13.616 -1.999 12 H5T G 1 H5T G 1 -13.467 -6.560 -7.054 13 1H5* G 2 1H5* G 2 -15.248 -9.396 -1.975 14 2H5* G 2 2H5* G 2 -15.545 -8.005 -0.899 15 H4* G 2 H4* G 2 -14.677 -9.734 0.488 16 H3* G 2 H3* G 2 -12.468 -7.866 -0.435 17 H2* G 2 1H2* G 2 -10.948 -9.049 0.934 18 2HO* G 2 2HO* G 2 -13.142 -10.559 1.968 19 H1* G 2 H1* G 2 -11.809 -11.540 0.208 20 H8 G 2 H8 G 2 -11.959 -9.344 -2.835 21 H1 G 2 H1 G 2 -6.007 -11.151 -1.457 22 1H2 G 2 1H2 G 2 -7.368 -12.268 1.550 23 2H2 G 2 2H2 G 2 -5.942 -12.086 0.553 24 1H5* G 3 1H5* G 3 -12.170 -7.617 3.534 25 2H5* G 3 2H5* G 3 -11.731 -6.038 4.235 26 H4* G 3 H4* G 3 -10.007 -7.769 4.643 27 H3* G 3 H3* G 3 -9.289 -5.592 2.642 28 H2* G 3 1H2* G 3 -7.087 -6.448 2.640 29 2HO* G 3 2HO* G 3 -7.781 -8.268 4.718 30 H1* G 3 H1* G 3 -7.841 -9.098 2.566 31 H8 G 3 H8 G 3 -10.132 -7.355 0.219 32 H1 G 3 H1 G 3 -4.234 -7.745 -2.159 33 1H2 G 3 1H2 G 3 -3.325 -8.683 1.073 34 2H2 G 3 2H2 G 3 -2.815 -8.365 -0.570 35 1H5* A 4 1H5* A 4 -6.432 -4.908 5.782 36 2H5* A 4 2H5* A 4 -5.758 -3.269 5.668 37 H4* A 4 H4* A 4 -4.188 -5.246 5.110 38 H3* A 4 H3* A 4 -4.668 -2.881 3.262 39 H2* A 4 1H2* A 4 -2.996 -3.723 1.837 40 2HO* A 4 2HO* A 4 -2.329 -5.716 3.758 41 H1* A 4 H1* A 4 -3.724 -6.379 2.058 42 H8 A 4 H8 A 4 -6.944 -4.653 1.626 43 1H6 A 4 1H6 A 4 -5.619 -3.795 -4.326 44 2H6 A 4 2H6 A 4 -6.879 -3.737 -3.115 45 H2 A 4 H2 A 4 -1.865 -5.115 -2.240 46 1H5* U 5 1H5* U 5 -0.622 -3.437 3.575 47 2H5* U 5 2H5* U 5 0.228 -1.949 4.040 48 H4* U 5 H4* U 5 1.364 -2.943 2.129 49 H3* U 5 H3* U 5 -0.274 -0.452 1.560 50 H2* U 5 1H2* U 5 0.472 -0.482 -0.663 51 2HO* U 5 2HO* U 5 2.419 -2.393 0.194 52 H1* U 5 H1* U 5 0.355 -3.223 -1.018 53 H3 U 5 H3 U 5 -2.741 -1.326 -3.778 54 H5 U 5 H5 U 5 -4.552 -1.332 0.026 55 H6 U 5 H6 U 5 -2.430 -2.035 0.964 56 1H5* C 6 1H5* C 6 3.745 -0.152 -0.133 57 2H5* C 6 2H5* C 6 4.421 1.408 0.378 58 H4* C 6 H4* C 6 4.855 1.199 -1.979 59 H3* C 6 H3* C 6 2.524 3.018 -1.296 60 H2* C 6 1H2* C 6 2.263 3.541 -3.569 61 2HO* C 6 2HO* C 6 3.849 3.115 -5.108 62 H1* C 6 H1* C 6 2.748 1.001 -4.553 63 1H4 C 6 1H4 C 6 -3.598 1.506 -2.672 64 2H4 C 6 2H4 C 6 -3.591 1.465 -4.421 65 H5 C 6 H5 C 6 -1.589 1.506 -1.344 66 H6 C 6 H6 C 6 0.859 1.476 -1.405 67 1H5* A 7 1H5* A 7 5.652 4.945 -3.470 68 2H5* A 7 2H5* A 7 5.974 6.656 -3.123 69 H4* A 7 H4* A 7 5.566 6.064 -5.575 70 H3* A 7 H3* A 7 4.994 8.361 -4.225 71 H2* A 7 1H2* A 7 2.803 7.886 -3.599 72 2HO* A 7 2HO* A 7 1.512 9.134 -4.851 73 H1* A 7 H1* A 7 2.098 6.663 -6.252 74 H8 A 7 H8 A 7 2.032 6.301 -2.402 75 1H6 A 7 1H6 A 7 -3.567 3.861 -3.179 76 2H6 A 7 2H6 A 7 -2.387 4.397 -2.005 77 H2 A 7 H2 A 7 -1.787 4.599 -7.240 78 1H5* C 8 1H5* C 8 2.845 11.673 -7.534 79 2H5* C 8 2H5* C 8 2.557 10.085 -6.794 80 H4* C 8 H4* C 8 2.830 10.222 -9.782 81 H3* C 8 H3* C 8 0.471 11.227 -8.154 82 H2* C 8 1H2* C 8 -0.983 10.314 -9.762 83 2HO* C 8 2HO* C 8 -0.176 10.822 -11.712 84 H1* C 8 H1* C 8 0.418 7.972 -10.160 85 1H4 C 8 1H4 C 8 -3.276 7.143 -4.737 86 2H4 C 8 2H4 C 8 -4.364 6.815 -6.066 87 H5 C 8 H5 C 8 -1.041 7.977 -5.038 88 H6 C 8 H6 C 8 0.640 8.685 -6.674 89 1H5* C 9 1H5* C 9 -0.364 12.777 -12.116 90 2H5* C 9 2H5* C 9 -1.419 14.196 -11.959 91 H4* C 9 H4* C 9 -2.434 12.141 -13.114 92 H3* C 9 H3* C 9 -3.673 13.496 -10.696 93 H2* C 9 1H2* C 9 -5.497 12.026 -10.823 94 2HO* C 9 2HO* C 9 -5.336 12.251 -13.326 95 H1* C 9 H1* C 9 -4.069 9.753 -11.485 96 1H4 C 9 1H4 C 9 -3.843 10.397 -4.904 97 2H4 C 9 2H4 C 9 -5.280 9.454 -5.226 98 H5 C 9 H5 C 9 -2.501 11.391 -6.637 99 H6 C 9 H6 C 9 -2.243 11.695 -9.053 100 1H5* A 10 1H5* A 10 -6.990 13.244 -13.056 101 2H5* A 10 2H5* A 10 -8.125 14.538 -12.619 102 H4* A 10 H4* A 10 -8.814 12.183 -11.908 103 H3* A 10 H3* A 10 -8.483 14.488 -9.962 104 H2* A 10 1H2* A 10 -9.204 13.110 -8.193 105 2HO* A 10 2HO* A 10 -9.941 10.876 -8.782 106 H1* A 10 H1* A 10 -7.808 10.863 -8.934 107 H8 A 10 H8 A 10 -5.669 13.910 -9.518 108 1H6 A 10 1H6 A 10 -4.239 13.776 -3.531 109 2H6 A 10 2H6 A 10 -3.868 14.503 -5.078 110 H2 A 10 H2 A 10 -7.568 10.839 -4.238 111 1H5* U 11 1H5* U 11 -11.701 12.803 -8.803 112 2H5* U 11 2H5* U 11 -13.182 13.771 -8.930 113 H4* U 11 H4* U 11 -13.015 12.677 -6.720 114 H3* U 11 H3* U 11 -13.734 15.271 -7.125 115 H2* U 11 1H2* U 11 -11.628 16.265 -6.825 116 2HO* U 11 2HO* U 11 -11.709 17.295 -4.885 117 H1* U 11 H1* U 11 -10.973 14.531 -4.452 118 H3 U 11 H3 U 11 -6.754 16.013 -4.363 119 H5 U 11 H5 U 11 -7.667 16.143 -8.473 120 H6 U 11 H6 U 11 -9.880 15.310 -7.942 121 1H5* U 12 1H5* U 12 -16.778 13.753 -3.111 122 2H5* U 12 2H5* U 12 -16.281 14.524 -1.595 123 H4* U 12 H4* U 12 -15.336 12.077 -2.802 124 H3* U 12 H3* U 12 -15.880 13.004 -0.303 125 H2* U 12 1H2* U 12 -14.129 14.485 -0.055 126 2HO* U 12 2HO* U 12 -13.857 12.466 1.381 127 H1* U 12 H1* U 12 -12.099 12.705 -1.378 128 H3 U 12 H3 U 12 -9.227 16.131 -1.034 129 H5 U 12 H5 U 12 -12.737 17.995 -2.434 130 H6 U 12 H6 U 12 -13.860 15.851 -2.283 131 1H5* A 13 1H5* A 13 -18.248 9.881 -3.289 132 2H5* A 13 2H5* A 13 -17.837 8.747 -1.988 133 H4* A 13 H4* A 13 -16.962 8.459 -4.541 134 H3* A 13 H3* A 13 -16.316 7.363 -1.989 135 H2* A 13 1H2* A 13 -14.186 8.196 -1.804 136 2HO* A 13 2HO* A 13 -13.600 6.120 -2.285 137 H1* A 13 H1* A 13 -13.830 8.486 -4.784 138 H8 A 13 H8 A 13 -13.584 10.210 -1.342 139 1H6 A 13 1H6 A 13 -8.468 12.859 -3.478 140 2H6 A 13 2H6 A 13 -9.478 12.622 -2.070 141 H2 A 13 H2 A 13 -10.362 10.564 -6.831 142 1H5* G 14 1H5* G 14 -14.007 3.172 -5.124 143 2H5* G 14 2H5* G 14 -13.796 4.532 -3.990 144 H4* G 14 H4* G 14 -15.207 5.071 -6.587 145 H3* G 14 H3* G 14 -12.303 4.237 -6.345 146 H2* G 14 1H2* G 14 -11.686 5.871 -7.897 147 2HO* G 14 2HO* G 14 -14.462 5.986 -8.534 148 H1* G 14 H1* G 14 -13.319 7.874 -6.970 149 H8 G 14 H8 G 14 -12.159 6.797 -3.830 150 H1 G 14 H1 G 14 -7.092 8.594 -7.250 151 1H2 G 14 1H2 G 14 -9.258 8.382 -9.974 152 2H2 G 14 2H2 G 14 -7.644 8.732 -9.395 153 1H5* G 15 1H5* G 15 -13.342 3.535 -10.247 154 2H5* G 15 2H5* G 15 -12.886 2.028 -11.086 155 H4* G 15 H4* G 15 -11.955 3.956 -12.254 156 H3* G 15 H3* G 15 -9.965 2.364 -10.602 157 H2* G 15 1H2* G 15 -8.234 3.726 -11.425 158 2HO* G 15 2HO* G 15 -9.815 3.908 -13.577 159 H1* G 15 H1* G 15 -9.596 6.110 -11.245 160 H8 G 15 H8 G 15 -10.445 4.295 -8.129 161 H1 G 15 H1 G 15 -4.401 6.315 -8.051 162 1H2 G 15 1H2 G 15 -4.875 6.896 -11.456 163 2H2 G 15 2H2 G 15 -3.790 6.961 -10.084 164 1H5* G 16 1H5* G 16 -7.680 3.188 -13.722 165 2H5* G 16 2H5* G 16 -7.570 1.679 -14.665 166 H4* G 16 H4* G 16 -5.360 2.520 -14.611 167 H3* G 16 H3* G 16 -5.776 0.608 -12.286 168 H2* G 16 1H2* G 16 -3.493 0.853 -11.742 169 2HO* G 16 2HO* G 16 -3.012 2.495 -14.000 170 H1* G 16 H1* G 16 -3.417 3.575 -12.086 171 H8 G 16 H8 G 16 -6.678 2.901 -10.447 172 H1 G 16 H1 G 16 -1.835 2.127 -6.379 173 1H2 G 16 1H2 G 16 0.174 2.248 -9.227 174 2H2 G 16 2H2 G 16 0.088 2.076 -7.489 175 1H5* A 17 1H5* A 17 -2.787 -1.390 -14.607 176 2H5* A 17 2H5* A 17 -2.603 -3.096 -14.156 177 H4* A 17 H4* A 17 -0.756 -1.441 -13.404 178 H3* A 17 H3* A 17 -2.212 -3.366 -11.563 179 H2* A 17 1H2* A 17 -0.821 -2.696 -9.795 180 2HO* A 17 2HO* A 17 1.125 -1.718 -10.079 181 H1* A 17 H1* A 17 -0.772 -0.003 -10.420 182 H8 A 17 H8 A 17 -4.325 -0.821 -10.769 183 1H6 A 17 1H6 A 17 -4.815 -1.234 -4.646 184 2H6 A 17 2H6 A 17 -5.699 -1.136 -6.152 185 H2 A 17 H2 A 17 -0.446 -1.151 -5.689 186 1H5* U 18 1H5* U 18 1.709 -3.782 -10.727 187 2H5* U 18 2H5* U 18 2.266 -5.468 -10.732 188 H4* U 18 H4* U 18 2.916 -4.392 -8.632 189 H3* U 18 H3* U 18 0.691 -6.448 -8.502 190 H2* U 18 1H2* U 18 0.612 -6.226 -6.172 191 2HO* U 18 2HO* U 18 3.037 -4.720 -6.321 192 H1* U 18 H1* U 18 0.949 -3.489 -6.077 193 H3 U 18 H3 U 18 -3.257 -4.449 -4.574 194 H5 U 18 H5 U 18 -3.541 -4.638 -8.773 195 H6 U 18 H6 U 18 -1.127 -4.435 -8.881 196 1H5* C 19 1H5* C 19 3.827 -7.408 -5.659 197 2H5* C 19 2H5* C 19 4.150 -9.154 -5.632 198 H4* C 19 H4* C 19 3.807 -8.310 -3.347 199 H3* C 19 H3* C 19 1.658 -10.095 -4.532 200 H2* C 19 1H2* C 19 0.493 -10.045 -2.496 201 2HO* C 19 2HO* C 19 2.801 -8.836 -1.316 202 H1* C 19 H1* C 19 0.940 -7.382 -1.915 203 1H4 C 19 1H4 C 19 -4.221 -7.788 -6.052 204 2H4 C 19 2H4 C 19 -4.900 -7.672 -4.445 205 H5 C 19 H5 C 19 -1.857 -7.970 -6.477 206 H6 C 19 H6 C 19 0.365 -8.080 -5.454 207 1H5* U 20 1H5* U 20 2.406 -11.540 -0.795 208 2H5* U 20 2H5* U 20 2.510 -13.310 -0.726 209 H4* U 20 H4* U 20 0.796 -12.540 0.834 210 H3* U 20 H3* U 20 -0.172 -13.912 -1.693 211 H2* U 20 1H2* U 20 -2.389 -13.759 -0.936 212 2HO* U 20 2HO* U 20 -2.345 -14.379 1.155 213 H1* U 20 H1* U 20 -2.198 -11.225 0.156 214 H3 U 20 H3 U 20 -4.967 -10.511 -3.332 215 H5 U 20 H5 U 20 -1.299 -11.464 -5.174 216 H6 U 20 H6 U 20 -0.392 -11.944 -2.978 217 1H5* C 21 1H5* C 21 -2.669 -18.224 -0.305 218 2H5* C 21 2H5* C 21 -2.713 -16.967 -1.556 219 H4* C 21 H4* C 21 -4.383 -17.041 0.983 220 H3* C 21 H3* C 21 -4.934 -17.533 -1.957 221 H2* C 21 1H2* C 21 -7.067 -16.584 -1.729 222 2HO* C 21 2HO* C 21 -6.643 -16.973 1.060 223 H1* C 21 H1* C 21 -6.346 -14.517 -0.044 224 1H4 C 21 1H4 C 21 -4.969 -12.669 -6.255 225 2H4 C 21 2H4 C 21 -6.647 -12.232 -6.013 226 H5 C 21 H5 C 21 -3.682 -13.903 -4.637 227 H6 C 21 H6 C 21 -3.718 -14.985 -2.442 228 H3T C 21 H3T C 21 -4.791 -19.266 -0.354 Start of MODEL 17 1 1H5* G 1 1H5* G 1 -13.830 -8.852 -9.267 2 2H5* G 1 2H5* G 1 -15.480 -9.065 -9.908 3 H4* G 1 H4* G 1 -16.273 -9.614 -7.685 4 H3* G 1 H3* G 1 -13.569 -8.544 -6.822 5 H2* G 1 1H2* G 1 -13.555 -10.035 -5.001 6 2HO* G 1 2HO* G 1 -16.312 -10.493 -5.607 7 H1* G 1 H1* G 1 -14.524 -12.215 -6.363 8 H8 G 1 H8 G 1 -12.172 -10.670 -8.753 9 H1 G 1 H1 G 1 -9.036 -13.314 -3.875 10 1H2 G 1 1H2 G 1 -12.168 -13.499 -2.357 11 2H2 G 1 2H2 G 1 -10.452 -13.815 -2.243 12 H5T G 1 H5T G 1 -15.544 -6.986 -9.663 13 1H5* G 2 1H5* G 2 -15.568 -7.486 -2.563 14 2H5* G 2 2H5* G 2 -14.169 -6.462 -2.149 15 H4* G 2 H4* G 2 -14.819 -8.929 -1.048 16 H3* G 2 H3* G 2 -12.182 -7.446 -1.323 17 H2* G 2 1H2* G 2 -11.096 -9.237 -0.250 18 2HO* G 2 2HO* G 2 -13.589 -10.500 0.281 19 H1* G 2 H1* G 2 -12.454 -11.245 -1.557 20 H8 G 2 H8 G 2 -11.838 -9.151 -4.410 21 H1 G 2 H1 G 2 -6.252 -11.077 -2.024 22 1H2 G 2 1H2 G 2 -8.098 -11.934 0.804 23 2H2 G 2 2H2 G 2 -6.533 -11.873 0.026 24 1H5* G 3 1H5* G 3 -11.879 -8.251 2.599 25 2H5* G 3 2H5* G 3 -11.839 -6.773 3.597 26 H4* G 3 H4* G 3 -9.967 -8.118 4.254 27 H3* G 3 H3* G 3 -9.199 -5.955 2.268 28 H2* G 3 1H2* G 3 -6.941 -6.604 2.458 29 2HO* G 3 2HO* G 3 -6.149 -7.684 4.152 30 H1* G 3 H1* G 3 -7.393 -9.305 2.366 31 H8 G 3 H8 G 3 -9.779 -7.739 -0.046 32 H1 G 3 H1 G 3 -3.826 -7.819 -2.314 33 1H2 G 3 1H2 G 3 -2.926 -8.675 0.943 34 2H2 G 3 2H2 G 3 -2.404 -8.342 -0.693 35 1H5* A 4 1H5* A 4 -6.921 -4.534 5.788 36 2H5* A 4 2H5* A 4 -6.391 -2.876 5.439 37 H4* A 4 H4* A 4 -4.648 -4.832 5.320 38 H3* A 4 H3* A 4 -5.054 -2.643 3.259 39 H2* A 4 1H2* A 4 -3.254 -3.487 2.015 40 2HO* A 4 2HO* A 4 -2.615 -4.996 4.354 41 H1* A 4 H1* A 4 -3.828 -6.165 2.371 42 H8 A 4 H8 A 4 -7.096 -4.606 1.629 43 1H6 A 4 1H6 A 4 -5.443 -4.121 -4.282 44 2H6 A 4 2H6 A 4 -6.771 -4.005 -3.150 45 H2 A 4 H2 A 4 -1.789 -5.203 -1.899 46 1H5* U 5 1H5* U 5 -0.915 -2.824 4.404 47 2H5* U 5 2H5* U 5 -0.198 -1.206 4.550 48 H4* U 5 H4* U 5 1.137 -2.704 3.075 49 H3* U 5 H3* U 5 -0.225 -0.259 1.907 50 H2* U 5 1H2* U 5 0.756 -0.704 -0.178 51 2HO* U 5 2HO* U 5 2.363 -2.463 -0.323 52 H1* U 5 H1* U 5 0.419 -3.437 -0.133 53 H3 U 5 H3 U 5 -2.289 -1.752 -3.398 54 H5 U 5 H5 U 5 -4.354 -1.002 0.200 55 H6 U 5 H6 U 5 -2.385 -1.737 1.408 56 1H5* C 6 1H5* C 6 3.716 -0.432 0.456 57 2H5* C 6 2H5* C 6 4.535 1.114 0.759 58 H4* C 6 H4* C 6 4.945 0.511 -1.543 59 H3* C 6 H3* C 6 2.858 2.679 -1.147 60 H2* C 6 1H2* C 6 2.658 2.916 -3.473 61 2HO* C 6 2HO* C 6 5.075 1.397 -3.633 62 H1* C 6 H1* C 6 2.829 0.225 -4.098 63 1H4 C 6 1H4 C 6 -3.426 1.625 -2.399 64 2H4 C 6 2H4 C 6 -3.396 1.557 -4.147 65 H5 C 6 H5 C 6 -1.450 1.426 -1.036 66 H6 C 6 H6 C 6 0.978 1.107 -1.052 67 1H5* A 7 1H5* A 7 6.125 6.749 -3.374 68 2H5* A 7 2H5* A 7 4.389 6.883 -3.030 69 H4* A 7 H4* A 7 5.748 6.101 -5.626 70 H3* A 7 H3* A 7 4.818 8.515 -4.779 71 H2* A 7 1H2* A 7 2.623 7.939 -4.300 72 2HO* A 7 2HO* A 7 1.627 9.128 -5.725 73 H1* A 7 H1* A 7 2.276 6.181 -6.702 74 H8 A 7 H8 A 7 2.266 6.018 -2.822 75 1H6 A 7 1H6 A 7 -3.497 3.914 -3.386 76 2H6 A 7 2H6 A 7 -2.235 4.350 -2.256 77 H2 A 7 H2 A 7 -1.862 4.643 -7.511 78 1H5* C 8 1H5* C 8 3.017 11.523 -8.429 79 2H5* C 8 2H5* C 8 2.351 10.167 -7.494 80 H4* C 8 H4* C 8 2.426 10.196 -10.534 81 H3* C 8 H3* C 8 0.337 11.219 -8.583 82 H2* C 8 1H2* C 8 -1.353 10.439 -10.009 83 2HO* C 8 2HO* C 8 -0.983 9.881 -12.154 84 H1* C 8 H1* C 8 -0.112 8.075 -10.734 85 1H4 C 8 1H4 C 8 -3.180 7.047 -4.965 86 2H4 C 8 2H4 C 8 -4.426 6.832 -6.175 87 H5 C 8 H5 C 8 -0.960 7.812 -5.482 88 H6 C 8 H6 C 8 0.549 8.558 -7.264 89 1H5* C 9 1H5* C 9 -1.417 13.733 -12.479 90 2H5* C 9 2H5* C 9 -2.617 14.461 -11.394 91 H4* C 9 H4* C 9 -3.120 12.507 -13.326 92 H3* C 9 H3* C 9 -4.614 13.470 -10.868 93 H2* C 9 1H2* C 9 -6.245 11.820 -11.195 94 2HO* C 9 2HO* C 9 -6.800 11.685 -13.251 95 H1* C 9 H1* C 9 -4.529 9.794 -11.973 96 1H4 C 9 1H4 C 9 -4.523 9.833 -5.371 97 2H4 C 9 2H4 C 9 -5.930 8.890 -5.807 98 H5 C 9 H5 C 9 -3.193 11.037 -6.974 99 H6 C 9 H6 C 9 -2.901 11.572 -9.344 100 1H5* A 10 1H5* A 10 -9.628 14.254 -12.917 101 2H5* A 10 2H5* A 10 -8.842 14.999 -11.511 102 H4* A 10 H4* A 10 -9.990 12.265 -11.833 103 H3* A 10 H3* A 10 -9.613 14.325 -9.640 104 H2* A 10 1H2* A 10 -9.839 12.652 -8.009 105 2HO* A 10 2HO* A 10 -11.182 11.058 -8.333 106 H1* A 10 H1* A 10 -8.379 10.710 -9.313 107 H8 A 10 H8 A 10 -6.458 13.842 -9.779 108 1H6 A 10 1H6 A 10 -4.465 13.372 -3.976 109 2H6 A 10 2H6 A 10 -4.258 14.204 -5.503 110 H2 A 10 H2 A 10 -7.792 10.404 -4.555 111 1H5* U 11 1H5* U 11 -12.544 12.388 -8.292 112 2H5* U 11 2H5* U 11 -14.113 13.208 -8.169 113 H4* U 11 H4* U 11 -13.631 12.033 -6.080 114 H3* U 11 H3* U 11 -14.462 14.624 -6.181 115 H2* U 11 1H2* U 11 -12.351 15.659 -6.097 116 2HO* U 11 2HO* U 11 -13.332 15.280 -3.466 117 H1* U 11 H1* U 11 -11.357 13.786 -3.961 118 H3 U 11 H3 U 11 -7.224 15.462 -4.274 119 H5 U 11 H5 U 11 -8.600 15.713 -8.248 120 H6 U 11 H6 U 11 -10.707 14.766 -7.509 121 1H5* U 12 1H5* U 12 -16.914 12.750 -1.892 122 2H5* U 12 2H5* U 12 -16.174 13.383 -0.411 123 H4* U 12 H4* U 12 -15.426 11.087 -2.016 124 H3* U 12 H3* U 12 -15.622 11.698 0.629 125 H2* U 12 1H2* U 12 -13.858 13.172 0.814 126 2HO* U 12 2HO* U 12 -11.951 11.972 1.502 127 H1* U 12 H1* U 12 -12.013 11.620 -0.977 128 H3 U 12 H3 U 12 -9.188 15.091 -0.581 129 H5 U 12 H5 U 12 -12.879 16.966 -1.367 130 H6 U 12 H6 U 12 -13.929 14.781 -1.310 131 1H5* A 13 1H5* A 13 -18.275 8.993 -2.592 132 2H5* A 13 2H5* A 13 -17.778 7.704 -1.478 133 H4* A 13 H4* A 13 -17.156 7.679 -4.106 134 H3* A 13 H3* A 13 -16.269 6.325 -1.771 135 H2* A 13 1H2* A 13 -14.144 7.195 -1.675 136 2HO* A 13 2HO* A 13 -13.750 5.092 -2.470 137 H1* A 13 H1* A 13 -14.036 7.750 -4.640 138 H8 A 13 H8 A 13 -13.469 9.114 -1.079 139 1H6 A 13 1H6 A 13 -8.630 12.100 -3.408 140 2H6 A 13 2H6 A 13 -9.489 11.687 -1.941 141 H2 A 13 H2 A 13 -10.829 10.145 -6.791 142 1H5* G 14 1H5* G 14 -14.166 2.488 -5.407 143 2H5* G 14 2H5* G 14 -13.913 3.756 -4.179 144 H4* G 14 H4* G 14 -15.444 4.484 -6.659 145 H3* G 14 H3* G 14 -12.526 3.664 -6.616 146 H2* G 14 1H2* G 14 -11.992 5.430 -8.048 147 2HO* G 14 2HO* G 14 -14.788 5.825 -8.492 148 H1* G 14 H1* G 14 -13.646 7.323 -6.919 149 H8 G 14 H8 G 14 -12.275 6.068 -3.924 150 H1 G 14 H1 G 14 -7.510 8.384 -7.471 151 1H2 G 14 1H2 G 14 -9.820 8.249 -10.080 152 2H2 G 14 2H2 G 14 -8.195 8.642 -9.567 153 1H5* G 15 1H5* G 15 -13.350 2.607 -10.934 154 2H5* G 15 2H5* G 15 -12.313 1.194 -11.264 155 H4* G 15 H4* G 15 -11.838 3.379 -12.548 156 H3* G 15 H3* G 15 -9.761 1.954 -10.852 157 H2* G 15 1H2* G 15 -8.152 3.514 -11.532 158 2HO* G 15 2HO* G 15 -10.021 4.384 -13.514 159 H1* G 15 H1* G 15 -9.783 5.742 -11.444 160 H8 G 15 H8 G 15 -10.550 3.951 -8.322 161 H1 G 15 H1 G 15 -4.656 6.366 -8.161 162 1H2 G 15 1H2 G 15 -5.094 6.823 -11.590 163 2H2 G 15 2H2 G 15 -4.045 6.996 -10.201 164 1H5* G 16 1H5* G 16 -7.265 3.204 -13.780 165 2H5* G 16 2H5* G 16 -7.001 1.725 -14.739 166 H4* G 16 H4* G 16 -4.858 2.728 -14.467 167 H3* G 16 H3* G 16 -5.350 0.593 -12.365 168 H2* G 16 1H2* G 16 -3.194 0.934 -11.522 169 2HO* G 16 2HO* G 16 -2.645 2.480 -13.865 170 H1* G 16 H1* G 16 -3.164 3.683 -11.776 171 H8 G 16 H8 G 16 -6.463 2.972 -10.326 172 H1 G 16 H1 G 16 -1.837 1.853 -6.089 173 1H2 G 16 1H2 G 16 0.297 2.012 -8.840 174 2H2 G 16 2H2 G 16 0.128 1.772 -7.115 175 1H5* A 17 1H5* A 17 -3.476 -3.946 -13.358 176 2H5* A 17 2H5* A 17 -4.445 -2.764 -12.455 177 H4* A 17 H4* A 17 -1.600 -2.150 -13.297 178 H3* A 17 H3* A 17 -2.622 -3.731 -10.919 179 H2* A 17 1H2* A 17 -1.013 -2.711 -9.538 180 2HO* A 17 2HO* A 17 0.229 -1.250 -11.575 181 H1* A 17 H1* A 17 -1.275 -0.168 -10.551 182 H8 A 17 H8 A 17 -4.769 -0.863 -10.404 183 1H6 A 17 1H6 A 17 -4.665 -1.126 -4.258 184 2H6 A 17 2H6 A 17 -5.687 -1.012 -5.673 185 H2 A 17 H2 A 17 -0.424 -1.320 -5.725 186 1H5* U 18 1H5* U 18 1.199 -4.344 -10.835 187 2H5* U 18 2H5* U 18 1.859 -5.984 -10.671 188 H4* U 18 H4* U 18 2.684 -4.645 -8.825 189 H3* U 18 H3* U 18 0.490 -6.623 -8.132 190 H2* U 18 1H2* U 18 0.714 -6.049 -5.857 191 2HO* U 18 2HO* U 18 2.778 -5.822 -5.326 192 H1* U 18 H1* U 18 0.891 -3.343 -6.244 193 H3 U 18 H3 U 18 -3.147 -4.394 -4.326 194 H5 U 18 H5 U 18 -3.708 -4.900 -8.470 195 H6 U 18 H6 U 18 -1.318 -4.618 -8.763 196 1H5* C 19 1H5* C 19 4.003 -8.498 -6.291 197 2H5* C 19 2H5* C 19 3.834 -10.257 -6.122 198 H4* C 19 H4* C 19 3.760 -9.011 -3.936 199 H3* C 19 H3* C 19 1.384 -10.637 -4.895 200 H2* C 19 1H2* C 19 0.275 -10.193 -2.875 201 2HO* C 19 2HO* C 19 2.804 -10.074 -1.905 202 H1* C 19 H1* C 19 1.076 -7.557 -2.630 203 1H4 C 19 1H4 C 19 -4.203 -7.722 -6.616 204 2H4 C 19 2H4 C 19 -4.855 -7.599 -4.998 205 H5 C 19 H5 C 19 -1.857 -8.018 -7.076 206 H6 C 19 H6 C 19 0.369 -8.261 -6.087 207 1H5* U 20 1H5* U 20 2.157 -12.139 -1.143 208 2H5* U 20 2H5* U 20 2.074 -13.910 -1.054 209 H4* U 20 H4* U 20 0.480 -12.965 0.529 210 H3* U 20 H3* U 20 -0.679 -14.205 -1.985 211 H2* U 20 1H2* U 20 -2.851 -13.812 -1.187 212 2HO* U 20 2HO* U 20 -1.632 -13.231 1.334 213 H1* U 20 H1* U 20 -2.381 -11.299 -0.170 214 H3 U 20 H3 U 20 -5.049 -10.543 -3.755 215 H5 U 20 H5 U 20 -1.358 -11.638 -5.461 216 H6 U 20 H6 U 20 -0.548 -12.141 -3.233 217 1H5* C 21 1H5* C 21 -2.744 -15.844 1.425 218 2H5* C 21 2H5* C 21 -2.868 -17.605 1.239 219 H4* C 21 H4* C 21 -5.073 -16.734 1.759 220 H3* C 21 H3* C 21 -4.638 -17.562 -1.130 221 H2* C 21 1H2* C 21 -6.884 -17.081 -1.602 222 2HO* C 21 2HO* C 21 -8.347 -16.564 0.200 223 H1* C 21 H1* C 21 -7.071 -14.796 -0.054 224 1H4 C 21 1H4 C 21 -4.506 -13.295 -5.985 225 2H4 C 21 2H4 C 21 -6.162 -12.733 -5.999 226 H5 C 21 H5 C 21 -3.536 -14.497 -4.138 227 H6 C 21 H6 C 21 -3.948 -15.435 -1.912 228 H3T C 21 H3T C 21 -6.036 -18.677 1.107 Start of MODEL 18 1 1H5* G 1 1H5* G 1 -13.462 -8.421 -11.130 2 2H5* G 1 2H5* G 1 -13.770 -7.301 -9.777 3 H4* G 1 H4* G 1 -14.489 -9.616 -9.268 4 H3* G 1 H3* G 1 -12.070 -8.520 -7.801 5 H2* G 1 1H2* G 1 -11.937 -10.494 -6.531 6 2HO* G 1 2HO* G 1 -14.444 -11.317 -7.628 7 H1* G 1 H1* G 1 -12.451 -12.244 -8.589 8 H8 G 1 H8 G 1 -10.181 -10.147 -10.391 9 H1 G 1 H1 G 1 -7.093 -12.714 -5.442 10 1H2 G 1 1H2 G 1 -10.278 -13.462 -4.236 11 2H2 G 1 2H2 G 1 -8.549 -13.542 -3.985 12 H5T G 1 H5T G 1 -11.613 -7.332 -9.281 13 1H5* G 2 1H5* G 2 -14.615 -10.057 -4.374 14 2H5* G 2 2H5* G 2 -14.867 -8.524 -3.499 15 H4* G 2 H4* G 2 -14.217 -10.354 -1.975 16 H3* G 2 H3* G 2 -12.163 -8.186 -2.514 17 H2* G 2 1H2* G 2 -10.699 -9.187 -0.966 18 2HO* G 2 2HO* G 2 -11.875 -11.282 0.029 19 H1* G 2 H1* G 2 -11.141 -11.784 -1.737 20 H8 G 2 H8 G 2 -11.050 -9.617 -4.806 21 H1 G 2 H1 G 2 -5.227 -10.819 -2.519 22 1H2 G 2 1H2 G 2 -6.909 -12.060 0.270 23 2H2 G 2 2H2 G 2 -5.374 -11.741 -0.507 24 1H5* G 3 1H5* G 3 -11.749 -5.690 2.537 25 2H5* G 3 2H5* G 3 -11.091 -5.488 0.891 26 H4* G 3 H4* G 3 -10.461 -7.576 3.020 27 H3* G 3 H3* G 3 -8.931 -5.479 1.452 28 H2* G 3 1H2* G 3 -6.991 -6.790 1.567 29 2HO* G 3 2HO* G 3 -6.649 -7.754 3.415 30 H1* G 3 H1* G 3 -8.213 -9.231 1.152 31 H8 G 3 H8 G 3 -9.887 -7.395 -1.441 32 H1 G 3 H1 G 3 -3.645 -7.521 -2.703 33 1H2 G 3 1H2 G 3 -3.305 -8.499 0.626 34 2H2 G 3 2H2 G 3 -2.516 -8.125 -0.890 35 1H5* A 4 1H5* A 4 -5.928 -2.563 5.108 36 2H5* A 4 2H5* A 4 -6.536 -2.512 3.441 37 H4* A 4 H4* A 4 -4.594 -4.506 4.662 38 H3* A 4 H3* A 4 -4.510 -2.416 2.463 39 H2* A 4 1H2* A 4 -2.960 -3.713 1.274 40 2HO* A 4 2HO* A 4 -2.672 -5.271 3.656 41 H1* A 4 H1* A 4 -4.108 -6.170 1.782 42 H8 A 4 H8 A 4 -7.131 -4.490 0.913 43 1H6 A 4 1H6 A 4 -5.264 -3.807 -4.913 44 2H6 A 4 2H6 A 4 -6.637 -3.750 -3.831 45 H2 A 4 H2 A 4 -1.687 -4.895 -2.422 46 1H5* U 5 1H5* U 5 -0.546 -2.129 4.544 47 2H5* U 5 2H5* U 5 0.256 -0.554 4.382 48 H4* U 5 H4* U 5 1.443 -2.440 3.201 49 H3* U 5 H3* U 5 0.367 -0.045 1.682 50 H2* U 5 1H2* U 5 1.296 -0.881 -0.302 51 2HO* U 5 2HO* U 5 2.777 -2.662 1.374 52 H1* U 5 H1* U 5 0.693 -3.542 0.135 53 H3 U 5 H3 U 5 -1.653 -1.901 -3.466 54 H5 U 5 H5 U 5 -3.931 -0.887 -0.069 55 H6 U 5 H6 U 5 -2.076 -1.613 1.313 56 1H5* C 6 1H5* C 6 4.302 -0.530 -0.083 57 2H5* C 6 2H5* C 6 5.106 0.967 0.430 58 H4* C 6 H4* C 6 5.548 0.741 -1.913 59 H3* C 6 H3* C 6 3.326 2.701 -1.266 60 H2* C 6 1H2* C 6 3.107 3.226 -3.544 61 2HO* C 6 2HO* C 6 4.667 2.648 -5.078 62 H1* C 6 H1* C 6 3.410 0.658 -4.510 63 1H4 C 6 1H4 C 6 -2.862 1.454 -2.508 64 2H4 C 6 2H4 C 6 -2.868 1.730 -4.235 65 H5 C 6 H5 C 6 -0.853 1.063 -1.241 66 H6 C 6 H6 C 6 1.585 0.868 -1.353 67 1H5* A 7 1H5* A 7 6.365 4.238 -3.629 68 2H5* A 7 2H5* A 7 6.908 5.911 -3.390 69 H4* A 7 H4* A 7 6.315 5.297 -5.780 70 H3* A 7 H3* A 7 5.989 7.678 -4.498 71 H2* A 7 1H2* A 7 3.796 7.408 -3.767 72 2HO* A 7 2HO* A 7 2.613 8.770 -4.964 73 H1* A 7 H1* A 7 2.880 6.153 -6.340 74 H8 A 7 H8 A 7 2.962 5.905 -2.480 75 1H6 A 7 1H6 A 7 -2.858 3.955 -2.935 76 2H6 A 7 2H6 A 7 -1.580 4.407 -1.830 77 H2 A 7 H2 A 7 -1.217 4.441 -7.091 78 1H5* C 8 1H5* C 8 4.010 11.120 -7.714 79 2H5* C 8 2H5* C 8 3.594 9.595 -6.903 80 H4* C 8 H4* C 8 3.581 9.714 -9.917 81 H3* C 8 H3* C 8 1.449 10.781 -8.020 82 H2* C 8 1H2* C 8 -0.158 10.079 -9.612 83 2HO* C 8 2HO* C 8 0.433 10.369 -11.631 84 H1* C 8 H1* C 8 1.028 7.649 -10.102 85 1H4 C 8 1H4 C 8 -2.366 7.130 -4.438 86 2H4 C 8 2H4 C 8 -3.540 6.830 -5.700 87 H5 C 8 H5 C 8 -0.107 7.840 -4.881 88 H6 C 8 H6 C 8 1.520 8.396 -6.628 89 1H5* C 9 1H5* C 9 0.360 12.261 -11.834 90 2H5* C 9 2H5* C 9 -0.586 13.755 -11.687 91 H4* C 9 H4* C 9 -1.806 11.765 -12.721 92 H3* C 9 H3* C 9 -2.817 13.190 -10.235 93 H2* C 9 1H2* C 9 -4.749 11.857 -10.300 94 2HO* C 9 2HO* C 9 -5.520 10.976 -12.101 95 H1* C 9 H1* C 9 -3.488 9.502 -11.016 96 1H4 C 9 1H4 C 9 -3.032 10.191 -4.448 97 2H4 C 9 2H4 C 9 -4.556 9.376 -4.718 98 H5 C 9 H5 C 9 -1.652 11.036 -6.230 99 H6 C 9 H6 C 9 -1.433 11.283 -8.656 100 1H5* A 10 1H5* A 10 -6.408 13.416 -12.146 101 2H5* A 10 2H5* A 10 -7.257 14.794 -11.417 102 H4* A 10 H4* A 10 -7.988 12.381 -10.742 103 H3* A 10 H3* A 10 -7.379 14.666 -8.841 104 H2* A 10 1H2* A 10 -7.951 13.305 -7.009 105 2HO* A 10 2HO* A 10 -8.742 11.082 -8.500 106 H1* A 10 H1* A 10 -6.739 11.007 -7.910 107 H8 A 10 H8 A 10 -4.362 13.747 -8.714 108 1H6 A 10 1H6 A 10 -2.694 13.859 -2.788 109 2H6 A 10 2H6 A 10 -2.305 14.420 -4.398 110 H2 A 10 H2 A 10 -6.395 11.334 -3.149 111 1H5* U 11 1H5* U 11 -10.704 12.912 -7.376 112 2H5* U 11 2H5* U 11 -12.105 13.978 -7.605 113 H4* U 11 H4* U 11 -12.167 12.875 -5.391 114 H3* U 11 H3* U 11 -12.703 15.504 -5.833 115 H2* U 11 1H2* U 11 -10.543 16.352 -5.425 116 2HO* U 11 2HO* U 11 -12.060 16.341 -3.037 117 H1* U 11 H1* U 11 -10.183 14.619 -2.987 118 H3 U 11 H3 U 11 -5.894 15.844 -2.600 119 H5 U 11 H5 U 11 -6.475 15.893 -6.773 120 H6 U 11 H6 U 11 -8.777 15.236 -6.394 121 1H5* U 12 1H5* U 12 -15.793 14.509 -0.698 122 2H5* U 12 2H5* U 12 -14.341 15.459 -1.019 123 H4* U 12 H4* U 12 -14.353 12.481 -1.447 124 H3* U 12 H3* U 12 -14.985 13.506 0.992 125 H2* U 12 1H2* U 12 -13.193 14.926 1.296 126 2HO* U 12 2HO* U 12 -12.290 12.363 2.161 127 H1* U 12 H1* U 12 -11.180 13.019 0.137 128 H3 U 12 H3 U 12 -8.206 16.335 0.684 129 H5 U 12 H5 U 12 -11.454 18.276 -1.169 130 H6 U 12 H6 U 12 -12.686 16.190 -1.043 131 1H5* A 13 1H5* A 13 -17.298 10.562 -2.082 132 2H5* A 13 2H5* A 13 -16.986 9.352 -0.822 133 H4* A 13 H4* A 13 -15.862 9.291 -3.314 134 H3* A 13 H3* A 13 -15.453 7.985 -0.776 135 H2* A 13 1H2* A 13 -13.285 8.658 -0.455 136 2HO* A 13 2HO* A 13 -12.877 6.564 -1.177 137 H1* A 13 H1* A 13 -12.876 9.213 -3.399 138 H8 A 13 H8 A 13 -12.596 10.742 0.148 139 1H6 A 13 1H6 A 13 -7.109 12.850 -1.654 140 2H6 A 13 2H6 A 13 -8.212 12.695 -0.305 141 H2 A 13 H2 A 13 -9.066 10.845 -5.161 142 1H5* G 14 1H5* G 14 -13.573 3.871 -4.364 143 2H5* G 14 2H5* G 14 -13.164 5.016 -3.059 144 H4* G 14 H4* G 14 -14.593 6.099 -5.468 145 H3* G 14 H3* G 14 -11.814 4.888 -5.528 146 H2* G 14 1H2* G 14 -11.047 6.655 -6.841 147 2HO* G 14 2HO* G 14 -13.786 7.364 -7.261 148 H1* G 14 H1* G 14 -12.423 8.680 -5.579 149 H8 G 14 H8 G 14 -11.248 7.207 -2.654 150 H1 G 14 H1 G 14 -6.158 8.655 -6.200 151 1H2 G 14 1H2 G 14 -8.453 8.883 -8.816 152 2H2 G 14 2H2 G 14 -6.785 9.003 -8.302 153 1H5* G 15 1H5* G 15 -12.832 4.897 -9.652 154 2H5* G 15 2H5* G 15 -12.871 3.254 -10.348 155 H4* G 15 H4* G 15 -11.548 4.624 -11.809 156 H3* G 15 H3* G 15 -9.857 2.975 -9.903 157 H2* G 15 1H2* G 15 -7.912 3.778 -10.969 158 2HO* G 15 2HO* G 15 -9.702 4.721 -12.983 159 H1* G 15 H1* G 15 -8.718 6.390 -11.132 160 H8 G 15 H8 G 15 -9.907 5.064 -7.832 161 H1 G 15 H1 G 15 -3.644 6.251 -7.827 162 1H2 G 15 1H2 G 15 -4.022 6.590 -11.278 163 2H2 G 15 2H2 G 15 -2.944 6.630 -9.902 164 1H5* G 16 1H5* G 16 -8.204 2.494 -13.400 165 2H5* G 16 2H5* G 16 -7.909 0.818 -13.931 166 H4* G 16 H4* G 16 -5.876 2.181 -14.113 167 H3* G 16 H3* G 16 -5.925 0.168 -11.840 168 H2* G 16 1H2* G 16 -3.695 0.718 -11.355 169 2HO* G 16 2HO* G 16 -2.696 0.769 -13.312 170 H1* G 16 H1* G 16 -3.946 3.440 -11.764 171 H8 G 16 H8 G 16 -6.922 2.536 -9.786 172 H1 G 16 H1 G 16 -1.632 2.168 -6.247 173 1H2 G 16 1H2 G 16 0.048 2.334 -9.298 174 2H2 G 16 2H2 G 16 0.158 2.205 -7.556 175 1H5* A 17 1H5* A 17 -2.686 -1.410 -14.329 176 2H5* A 17 2H5* A 17 -2.333 -3.079 -13.839 177 H4* A 17 H4* A 17 -0.618 -1.228 -13.217 178 H3* A 17 H3* A 17 -1.782 -3.280 -11.310 179 H2* A 17 1H2* A 17 -0.424 -2.448 -9.582 180 2HO* A 17 2HO* A 17 1.206 -1.772 -11.647 181 H1* A 17 H1* A 17 -0.731 0.223 -10.168 182 H8 A 17 H8 A 17 -4.131 -1.174 -10.565 183 1H6 A 17 1H6 A 17 -4.650 -1.439 -4.437 184 2H6 A 17 2H6 A 17 -5.511 -1.545 -5.957 185 H2 A 17 H2 A 17 -0.340 -0.653 -5.438 186 1H5* U 18 1H5* U 18 2.268 -3.641 -10.956 187 2H5* U 18 2H5* U 18 2.910 -5.279 -10.716 188 H4* U 18 H4* U 18 3.460 -3.810 -8.802 189 H3* U 18 H3* U 18 1.504 -6.092 -8.384 190 H2* U 18 1H2* U 18 1.374 -5.573 -6.102 191 2HO* U 18 2HO* U 18 3.133 -4.967 -5.118 192 H1* U 18 H1* U 18 1.372 -2.827 -6.368 193 H3 U 18 H3 U 18 -2.717 -4.025 -4.750 194 H5 U 18 H5 U 18 -2.901 -4.907 -8.866 195 H6 U 18 H6 U 18 -0.527 -4.433 -9.008 196 1H5* C 19 1H5* C 19 4.630 -6.531 -5.150 197 2H5* C 19 2H5* C 19 5.045 -8.255 -5.227 198 H4* C 19 H4* C 19 4.520 -7.626 -2.915 199 H3* C 19 H3* C 19 2.520 -9.369 -4.386 200 H2* C 19 1H2* C 19 1.219 -9.533 -2.433 201 2HO* C 19 2HO* C 19 2.044 -9.351 -0.469 202 H1* C 19 H1* C 19 1.436 -6.902 -1.676 203 1H4 C 19 1H4 C 19 -3.103 -7.334 -6.494 204 2H4 C 19 2H4 C 19 -3.996 -7.312 -4.990 205 H5 C 19 H5 C 19 -0.701 -7.389 -6.601 206 H6 C 19 H6 C 19 1.367 -7.441 -5.294 207 1H5* U 20 1H5* U 20 3.103 -11.320 -0.897 208 2H5* U 20 2H5* U 20 3.006 -13.089 -1.017 209 H4* U 20 H4* U 20 1.201 -12.147 0.412 210 H3* U 20 H3* U 20 0.457 -13.462 -2.223 211 H2* U 20 1H2* U 20 -1.811 -13.199 -1.683 212 2HO* U 20 2HO* U 20 -0.903 -12.643 0.967 213 H1* U 20 H1* U 20 -1.588 -10.678 -0.570 214 H3 U 20 H3 U 20 -4.076 -10.109 -4.316 215 H5 U 20 H5 U 20 -0.182 -10.793 -5.776 216 H6 U 20 H6 U 20 0.517 -11.273 -3.504 217 1H5* C 21 1H5* C 21 -1.916 -15.099 0.887 218 2H5* C 21 2H5* C 21 -1.984 -16.869 0.771 219 H4* C 21 H4* C 21 -4.252 -16.024 0.976 220 H3* C 21 H3* C 21 -3.446 -16.988 -1.787 221 H2* C 21 1H2* C 21 -5.624 -16.588 -2.561 222 2HO* C 21 2HO* C 21 -7.308 -16.011 -0.979 223 H1* C 21 H1* C 21 -6.045 -14.230 -1.172 224 1H4 C 21 1H4 C 21 -2.770 -12.933 -6.795 225 2H4 C 21 2H4 C 21 -4.427 -12.441 -7.059 226 H5 C 21 H5 C 21 -2.018 -14.010 -4.775 227 H6 C 21 H6 C 21 -2.694 -14.853 -2.577 228 H3T C 21 H3T C 21 -5.139 -18.030 0.274 Start of MODEL 19 1 1H5* G 1 1H5* G 1 -12.415 -5.609 -10.375 2 2H5* G 1 2H5* G 1 -13.907 -5.286 -11.294 3 H4* G 1 H4* G 1 -15.180 -6.567 -9.678 4 H3* G 1 H3* G 1 -12.642 -6.379 -8.028 5 H2* G 1 1H2* G 1 -13.131 -8.466 -7.050 6 2HO* G 1 2HO* G 1 -15.128 -9.392 -7.096 7 H1* G 1 H1* G 1 -13.937 -9.718 -9.356 8 H8 G 1 H8 G 1 -11.122 -8.111 -10.823 9 H1 G 1 H1 G 1 -9.031 -11.854 -6.108 10 1H2 G 1 1H2 G 1 -12.362 -11.906 -5.081 11 2H2 G 1 2H2 G 1 -10.721 -12.439 -4.793 12 H5T G 1 H5T G 1 -14.573 -3.902 -9.731 13 1H5* G 2 1H5* G 2 -15.399 -6.682 -4.845 14 2H5* G 2 2H5* G 2 -15.040 -5.509 -3.550 15 H4* G 2 H4* G 2 -14.958 -7.910 -2.828 16 H3* G 2 H3* G 2 -12.400 -6.271 -2.827 17 H2* G 2 1H2* G 2 -11.270 -8.079 -1.849 18 2HO* G 2 2HO* G 2 -12.448 -8.944 -0.287 19 H1* G 2 H1* G 2 -12.502 -10.066 -3.322 20 H8 G 2 H8 G 2 -11.704 -7.619 -5.908 21 H1 G 2 H1 G 2 -6.352 -10.121 -3.519 22 1H2 G 2 1H2 G 2 -8.404 -11.280 -0.952 23 2H2 G 2 2H2 G 2 -6.791 -11.185 -1.622 24 1H5* G 3 1H5* G 3 -12.407 -7.349 2.550 25 2H5* G 3 2H5* G 3 -11.735 -5.705 2.384 26 H4* G 3 H4* G 3 -10.396 -7.849 3.411 27 H3* G 3 H3* G 3 -9.397 -5.479 1.802 28 H2* G 3 1H2* G 3 -7.212 -6.323 1.911 29 2HO* G 3 2HO* G 3 -6.512 -7.563 3.510 30 H1* G 3 H1* G 3 -7.861 -8.984 1.555 31 H8 G 3 H8 G 3 -9.888 -7.018 -0.882 32 H1 G 3 H1 G 3 -3.780 -7.393 -2.650 33 1H2 G 3 1H2 G 3 -3.244 -8.606 0.576 34 2H2 G 3 2H2 G 3 -2.554 -8.178 -0.973 35 1H5* A 4 1H5* A 4 -6.140 -2.696 5.420 36 2H5* A 4 2H5* A 4 -6.692 -2.688 3.733 37 H4* A 4 H4* A 4 -4.899 -4.758 5.064 38 H3* A 4 H3* A 4 -4.519 -2.579 2.989 39 H2* A 4 1H2* A 4 -2.917 -3.897 1.887 40 2HO* A 4 2HO* A 4 -1.650 -4.723 3.471 41 H1* A 4 H1* A 4 -4.252 -6.292 2.109 42 H8 A 4 H8 A 4 -7.036 -4.148 1.210 43 1H6 A 4 1H6 A 4 -4.776 -3.514 -4.481 44 2H6 A 4 2H6 A 4 -6.174 -3.273 -3.458 45 H2 A 4 H2 A 4 -1.562 -5.296 -1.898 46 1H5* U 5 1H5* U 5 -0.407 -2.753 4.310 47 2H5* U 5 2H5* U 5 0.249 -1.108 4.199 48 H4* U 5 H4* U 5 1.273 -2.824 2.607 49 H3* U 5 H3* U 5 -0.025 -0.250 1.655 50 H2* U 5 1H2* U 5 0.603 -0.759 -0.547 51 2HO* U 5 2HO* U 5 2.254 -2.836 0.518 52 H1* U 5 H1* U 5 0.086 -3.474 -0.425 53 H3 U 5 H3 U 5 -2.722 -1.332 -3.390 54 H5 U 5 H5 U 5 -4.575 -1.039 0.382 55 H6 U 5 H6 U 5 -2.534 -1.884 1.380 56 1H5* C 6 1H5* C 6 3.906 -0.567 -0.647 57 2H5* C 6 2H5* C 6 4.663 0.924 -0.046 58 H4* C 6 H4* C 6 4.946 0.923 -2.431 59 H3* C 6 H3* C 6 2.710 2.714 -1.437 60 H2* C 6 1H2* C 6 2.296 3.444 -3.625 61 2HO* C 6 2HO* C 6 4.228 3.863 -4.528 62 H1* C 6 H1* C 6 2.622 0.998 -4.861 63 1H4 C 6 1H4 C 6 -3.505 1.455 -2.345 64 2H4 C 6 2H4 C 6 -3.657 1.635 -4.079 65 H5 C 6 H5 C 6 -1.384 1.228 -1.224 66 H6 C 6 H6 C 6 1.046 1.137 -1.522 67 1H5* A 7 1H5* A 7 6.043 6.420 -1.676 68 2H5* A 7 2H5* A 7 4.808 7.695 -1.682 69 H4* A 7 H4* A 7 6.023 6.402 -3.926 70 H3* A 7 H3* A 7 4.847 8.803 -3.413 71 H2* A 7 1H2* A 7 2.628 8.141 -3.325 72 2HO* A 7 2HO* A 7 2.925 8.318 -6.157 73 H1* A 7 H1* A 7 2.823 6.248 -5.640 74 H8 A 7 H8 A 7 2.129 6.166 -1.829 75 1H6 A 7 1H6 A 7 -3.424 3.969 -3.349 76 2H6 A 7 2H6 A 7 -2.380 4.432 -2.023 77 H2 A 7 H2 A 7 -1.121 4.709 -7.137 78 1H5* C 8 1H5* C 8 3.589 11.605 -7.354 79 2H5* C 8 2H5* C 8 2.692 10.389 -6.420 80 H4* C 8 H4* C 8 3.055 10.326 -9.444 81 H3* C 8 H3* C 8 0.828 11.346 -7.651 82 H2* C 8 1H2* C 8 -0.761 10.576 -9.197 83 2HO* C 8 2HO* C 8 1.381 10.156 -11.045 84 H1* C 8 H1* C 8 0.528 8.216 -9.858 85 1H4 C 8 1H4 C 8 -2.946 7.095 -4.339 86 2H4 C 8 2H4 C 8 -4.026 6.702 -5.657 87 H5 C 8 H5 C 8 -0.779 8.093 -4.663 88 H6 C 8 H6 C 8 0.839 8.897 -6.318 89 1H5* C 9 1H5* C 9 -2.291 14.414 -9.767 90 2H5* C 9 2H5* C 9 -1.996 13.308 -8.409 91 H4* C 9 H4* C 9 -2.962 12.402 -11.151 92 H3* C 9 H3* C 9 -4.450 13.204 -8.632 93 H2* C 9 1H2* C 9 -5.994 11.473 -8.989 94 2HO* C 9 2HO* C 9 -4.856 11.119 -11.587 95 H1* C 9 H1* C 9 -4.193 9.562 -9.819 96 1H4 C 9 1H4 C 9 -4.063 9.666 -3.206 97 2H4 C 9 2H4 C 9 -5.448 8.675 -3.604 98 H5 C 9 H5 C 9 -2.793 10.881 -4.851 99 H6 C 9 H6 C 9 -2.552 11.382 -7.236 100 1H5* A 10 1H5* A 10 -7.696 12.655 -10.904 101 2H5* A 10 2H5* A 10 -9.017 13.660 -10.271 102 H4* A 10 H4* A 10 -9.107 11.110 -9.797 103 H3* A 10 H3* A 10 -9.372 13.298 -7.712 104 H2* A 10 1H2* A 10 -9.732 11.678 -6.043 105 2HO* A 10 2HO* A 10 -10.316 9.998 -8.247 106 H1* A 10 H1* A 10 -7.835 9.884 -6.906 107 H8 A 10 H8 A 10 -6.335 13.289 -7.239 108 1H6 A 10 1H6 A 10 -5.238 13.202 -1.179 109 2H6 A 10 2H6 A 10 -4.928 14.044 -2.680 110 H2 A 10 H2 A 10 -7.917 9.727 -2.168 111 1H5* U 11 1H5* U 11 -12.026 10.646 -6.677 112 2H5* U 11 2H5* U 11 -13.687 11.198 -6.974 113 H4* U 11 H4* U 11 -13.529 10.044 -4.802 114 H3* U 11 H3* U 11 -14.814 12.411 -5.197 115 H2* U 11 1H2* U 11 -13.065 13.861 -4.589 116 2HO* U 11 2HO* U 11 -14.915 14.094 -3.092 117 H1* U 11 H1* U 11 -12.289 12.183 -2.213 118 H3 U 11 H3 U 11 -8.604 14.640 -1.546 119 H5 U 11 H5 U 11 -8.966 14.671 -5.743 120 H6 U 11 H6 U 11 -10.983 13.346 -5.514 121 1H5* U 12 1H5* U 12 -17.686 9.753 -1.748 122 2H5* U 12 2H5* U 12 -17.744 10.536 -0.161 123 H4* U 12 H4* U 12 -15.863 8.609 -1.157 124 H3* U 12 H3* U 12 -17.006 9.244 1.231 125 H2* U 12 1H2* U 12 -15.892 11.223 1.669 126 2HO* U 12 2HO* U 12 -14.206 9.133 2.614 127 H1* U 12 H1* U 12 -13.232 10.241 0.672 128 H3 U 12 H3 U 12 -11.664 14.405 1.160 129 H5 U 12 H5 U 12 -15.505 15.055 -0.444 130 H6 U 12 H6 U 12 -15.862 12.657 -0.395 131 1H5* A 13 1H5* A 13 -17.243 6.837 -0.574 132 2H5* A 13 2H5* A 13 -17.798 5.152 -0.529 133 H4* A 13 H4* A 13 -16.591 5.172 -2.520 134 H3* A 13 H3* A 13 -15.369 3.855 -0.364 135 H2* A 13 1H2* A 13 -13.563 5.256 -0.061 136 2HO* A 13 2HO* A 13 -12.481 3.501 -0.878 137 H1* A 13 H1* A 13 -13.432 6.070 -2.956 138 H8 A 13 H8 A 13 -13.805 7.473 0.630 139 1H6 A 13 1H6 A 13 -9.247 11.320 -0.872 140 2H6 A 13 2H6 A 13 -10.294 10.777 0.419 141 H2 A 13 H2 A 13 -10.275 8.869 -4.488 142 1H5* G 14 1H5* G 14 -14.299 1.147 -4.762 143 2H5* G 14 2H5* G 14 -12.527 1.117 -4.947 144 H4* G 14 H4* G 14 -14.482 3.086 -5.804 145 H3* G 14 H3* G 14 -11.483 2.693 -6.038 146 H2* G 14 1H2* G 14 -11.259 4.857 -6.867 147 2HO* G 14 2HO* G 14 -13.015 6.072 -7.639 148 H1* G 14 H1* G 14 -13.102 6.083 -5.235 149 H8 G 14 H8 G 14 -11.509 4.513 -2.629 150 H1 G 14 H1 G 14 -7.054 7.815 -5.761 151 1H2 G 14 1H2 G 14 -9.361 7.809 -8.377 152 2H2 G 14 2H2 G 14 -7.783 8.298 -7.804 153 1H5* G 15 1H5* G 15 -12.748 3.555 -9.513 154 2H5* G 15 2H5* G 15 -13.356 2.813 -11.015 155 H4* G 15 H4* G 15 -11.731 4.001 -12.064 156 H3* G 15 H3* G 15 -9.944 2.182 -10.402 157 H2* G 15 1H2* G 15 -8.091 3.367 -11.264 158 2HO* G 15 2HO* G 15 -8.378 4.925 -12.958 159 H1* G 15 H1* G 15 -9.242 5.863 -11.031 160 H8 G 15 H8 G 15 -10.016 3.713 -8.018 161 H1 G 15 H1 G 15 -4.197 6.304 -7.791 162 1H2 G 15 1H2 G 15 -4.800 7.184 -11.111 163 2H2 G 15 2H2 G 15 -3.697 7.216 -9.754 164 1H5* G 16 1H5* G 16 -7.843 2.741 -13.684 165 2H5* G 16 2H5* G 16 -7.575 1.198 -14.535 166 H4* G 16 H4* G 16 -5.464 2.323 -14.438 167 H3* G 16 H3* G 16 -5.744 0.276 -12.210 168 H2* G 16 1H2* G 16 -3.518 0.713 -11.590 169 2HO* G 16 2HO* G 16 -2.047 1.359 -12.986 170 H1* G 16 H1* G 16 -3.645 3.451 -11.941 171 H8 G 16 H8 G 16 -6.777 2.390 -10.201 172 H1 G 16 H1 G 16 -1.748 2.379 -6.285 173 1H2 G 16 1H2 G 16 0.133 2.699 -9.206 174 2H2 G 16 2H2 G 16 0.128 2.561 -7.461 175 1H5* A 17 1H5* A 17 -2.645 -2.396 -14.235 176 2H5* A 17 2H5* A 17 -2.774 -3.732 -13.075 177 H4* A 17 H4* A 17 -0.870 -1.745 -12.975 178 H3* A 17 H3* A 17 -2.104 -3.486 -10.813 179 H2* A 17 1H2* A 17 -0.738 -2.418 -9.221 180 2HO* A 17 2HO* A 17 0.954 -0.980 -9.889 181 H1* A 17 H1* A 17 -1.037 0.131 -10.221 182 H8 A 17 H8 A 17 -4.487 -0.750 -10.404 183 1H6 A 17 1H6 A 17 -4.897 -1.136 -4.271 184 2H6 A 17 2H6 A 17 -5.801 -1.026 -5.765 185 H2 A 17 H2 A 17 -0.543 -1.125 -5.378 186 1H5* U 18 1H5* U 18 2.022 -4.501 -10.863 187 2H5* U 18 2H5* U 18 2.465 -6.206 -10.639 188 H4* U 18 H4* U 18 3.470 -4.846 -8.866 189 H3* U 18 H3* U 18 1.170 -6.665 -8.089 190 H2* U 18 1H2* U 18 1.447 -6.053 -5.835 191 2HO* U 18 2HO* U 18 3.952 -4.990 -6.695 192 H1* U 18 H1* U 18 1.844 -3.371 -6.274 193 H3 U 18 H3 U 18 -2.216 -4.081 -4.230 194 H5 U 18 H5 U 18 -2.922 -4.542 -8.360 195 H6 U 18 H6 U 18 -0.525 -4.471 -8.713 196 1H5* C 19 1H5* C 19 4.347 -8.419 -5.852 197 2H5* C 19 2H5* C 19 4.260 -10.193 -5.824 198 H4* C 19 H4* C 19 4.036 -9.275 -3.549 199 H3* C 19 H3* C 19 1.600 -10.558 -4.820 200 H2* C 19 1H2* C 19 0.392 -10.247 -2.835 201 2HO* C 19 2HO* C 19 2.550 -9.236 -1.360 202 H1* C 19 H1* C 19 1.364 -7.734 -2.238 203 1H4 C 19 1H4 C 19 -3.562 -7.105 -6.627 204 2H4 C 19 2H4 C 19 -4.318 -7.001 -5.054 205 H5 C 19 H5 C 19 -1.224 -7.598 -6.936 206 H6 C 19 H6 C 19 0.886 -8.121 -5.806 207 1H5* U 20 1H5* U 20 1.596 -12.301 -1.275 208 2H5* U 20 2H5* U 20 1.162 -14.022 -1.320 209 H4* U 20 H4* U 20 -0.501 -12.736 -0.036 210 H3* U 20 H3* U 20 -1.352 -13.874 -2.720 211 H2* U 20 1H2* U 20 -3.538 -13.115 -2.334 212 2HO* U 20 2HO* U 20 -3.162 -12.128 0.230 213 H1* U 20 H1* U 20 -2.851 -10.698 -1.177 214 H3 U 20 H3 U 20 -4.906 -9.646 -5.083 215 H5 U 20 H5 U 20 -1.115 -11.064 -6.263 216 H6 U 20 H6 U 20 -0.706 -11.696 -3.958 217 1H5* C 21 1H5* C 21 -4.489 -15.074 0.219 218 2H5* C 21 2H5* C 21 -4.646 -16.821 -0.053 219 H4* C 21 H4* C 21 -6.867 -15.858 -0.080 220 H3* C 21 H3* C 21 -5.746 -16.596 -2.804 221 H2* C 21 1H2* C 21 -7.779 -15.979 -3.800 222 2HO* C 21 2HO* C 21 -8.899 -15.869 -1.169 223 H1* C 21 H1* C 21 -8.255 -13.748 -2.232 224 1H4 C 21 1H4 C 21 -4.236 -12.214 -7.289 225 2H4 C 21 2H4 C 21 -5.790 -11.492 -7.640 226 H5 C 21 H5 C 21 -3.823 -13.579 -5.346 227 H6 C 21 H6 C 21 -4.818 -14.563 -3.335 228 H3T C 21 H3T C 21 -6.185 -18.334 -1.474 Start of MODEL 20 1 1H5* G 1 1H5* G 1 -12.482 -4.076 -8.490 2 2H5* G 1 2H5* G 1 -12.820 -3.907 -6.747 3 H4* G 1 H4* G 1 -14.010 -5.831 -7.769 4 H3* G 1 H3* G 1 -11.746 -6.405 -5.832 5 H2* G 1 1H2* G 1 -12.188 -8.709 -5.992 6 2HO* G 1 2HO* G 1 -14.628 -8.135 -6.074 7 H1* G 1 H1* G 1 -12.601 -8.777 -8.709 8 H8 G 1 H8 G 1 -9.733 -6.706 -8.901 9 H1 G 1 H1 G 1 -8.023 -12.137 -6.032 10 1H2 G 1 1H2 G 1 -11.446 -12.633 -5.600 11 2H2 G 1 2H2 G 1 -9.823 -13.237 -5.347 12 H5T G 1 H5T G 1 -10.708 -3.762 -6.734 13 1H5* G 2 1H5* G 2 -14.939 -8.139 -2.998 14 2H5* G 2 2H5* G 2 -14.681 -7.035 -1.622 15 H4* G 2 H4* G 2 -14.561 -9.402 -0.933 16 H3* G 2 H3* G 2 -11.965 -7.832 -0.987 17 H2* G 2 1H2* G 2 -10.820 -9.690 -0.112 18 2HO* G 2 2HO* G 2 -13.425 -10.646 0.528 19 H1* G 2 H1* G 2 -12.061 -11.593 -1.654 20 H8 G 2 H8 G 2 -11.553 -8.959 -4.118 21 H1 G 2 H1 G 2 -5.927 -11.304 -2.264 22 1H2 G 2 1H2 G 2 -7.729 -12.735 0.354 23 2H2 G 2 2H2 G 2 -6.175 -12.507 -0.417 24 1H5* G 3 1H5* G 3 -11.026 -9.946 3.420 25 2H5* G 3 2H5* G 3 -11.519 -8.364 4.077 26 H4* G 3 H4* G 3 -9.324 -8.926 4.938 27 H3* G 3 H3* G 3 -9.273 -6.925 2.652 28 H2* G 3 1H2* G 3 -6.945 -6.680 2.977 29 2HO* G 3 2HO* G 3 -7.106 -8.372 5.268 30 H1* G 3 H1* G 3 -6.419 -9.351 3.217 31 H8 G 3 H8 G 3 -9.148 -8.745 0.660 32 H1 G 3 H1 G 3 -3.314 -7.642 -1.653 33 1H2 G 3 1H2 G 3 -2.271 -8.001 1.656 34 2H2 G 3 2H2 G 3 -1.823 -7.695 -0.006 35 1H5* A 4 1H5* A 4 -7.086 -4.963 5.811 36 2H5* A 4 2H5* A 4 -7.004 -3.223 5.464 37 H4* A 4 H4* A 4 -4.812 -4.644 5.333 38 H3* A 4 H3* A 4 -5.769 -2.733 3.166 39 H2* A 4 1H2* A 4 -3.692 -3.072 2.090 40 2HO* A 4 2HO* A 4 -1.930 -3.882 3.094 41 H1* A 4 H1* A 4 -3.628 -5.794 2.496 42 H8 A 4 H8 A 4 -7.139 -5.000 1.561 43 1H6 A 4 1H6 A 4 -5.320 -4.443 -4.295 44 2H6 A 4 2H6 A 4 -6.701 -4.552 -3.226 45 H2 A 4 H2 A 4 -1.649 -4.659 -1.714 46 1H5* U 5 1H5* U 5 -1.893 -1.589 4.701 47 2H5* U 5 2H5* U 5 -1.446 0.106 4.419 48 H4* U 5 H4* U 5 0.065 -1.719 3.380 49 H3* U 5 H3* U 5 -1.157 0.590 1.832 50 H2* U 5 1H2* U 5 0.016 -0.102 -0.079 51 2HO* U 5 2HO* U 5 1.702 -1.642 0.029 52 H1* U 5 H1* U 5 -0.330 -2.820 0.290 53 H3 U 5 H3 U 5 -2.471 -1.318 -3.508 54 H5 U 5 H5 U 5 -5.208 -0.798 -0.345 55 H6 U 5 H6 U 5 -3.414 -1.306 1.206 56 1H5* C 6 1H5* C 6 2.826 0.267 0.488 57 2H5* C 6 2H5* C 6 3.604 1.810 0.893 58 H4* C 6 H4* C 6 4.179 1.294 -1.393 59 H3* C 6 H3* C 6 2.037 3.411 -1.048 60 H2* C 6 1H2* C 6 1.947 3.725 -3.372 61 2HO* C 6 2HO* C 6 4.226 2.046 -3.714 62 H1* C 6 H1* C 6 2.169 1.064 -4.081 63 1H4 C 6 1H4 C 6 -4.151 2.296 -2.496 64 2H4 C 6 2H4 C 6 -4.068 2.351 -4.242 65 H5 C 6 H5 C 6 -2.219 1.999 -1.092 66 H6 C 6 H6 C 6 0.213 1.714 -1.055 67 1H5* A 7 1H5* A 7 5.314 4.662 -3.160 68 2H5* A 7 2H5* A 7 6.007 6.287 -2.980 69 H4* A 7 H4* A 7 5.462 5.665 -5.357 70 H3* A 7 H3* A 7 5.183 8.099 -4.165 71 H2* A 7 1H2* A 7 2.952 7.941 -3.517 72 2HO* A 7 2HO* A 7 2.523 9.667 -4.687 73 H1* A 7 H1* A 7 2.091 6.645 -6.088 74 H8 A 7 H8 A 7 1.973 6.599 -2.226 75 1H6 A 7 1H6 A 7 -3.839 4.673 -2.863 76 2H6 A 7 2H6 A 7 -2.615 5.185 -1.723 77 H2 A 7 H2 A 7 -1.977 4.883 -6.949 78 1H5* C 8 1H5* C 8 3.423 11.332 -7.735 79 2H5* C 8 2H5* C 8 3.041 9.823 -6.880 80 H4* C 8 H4* C 8 3.395 9.652 -9.848 81 H3* C 8 H3* C 8 1.069 11.019 -8.443 82 H2* C 8 1H2* C 8 -0.371 10.092 -10.064 83 2HO* C 8 2HO* C 8 0.398 9.124 -11.956 84 H1* C 8 H1* C 8 0.812 7.602 -10.111 85 1H4 C 8 1H4 C 8 -3.233 7.748 -4.884 86 2H4 C 8 2H4 C 8 -4.269 7.361 -6.239 87 H5 C 8 H5 C 8 -0.917 8.360 -5.128 88 H6 C 8 H6 C 8 0.916 8.706 -6.717 89 1H5* C 9 1H5* C 9 0.452 12.226 -12.595 90 2H5* C 9 2H5* C 9 -0.569 13.678 -12.559 91 H4* C 9 H4* C 9 -1.578 11.491 -13.540 92 H3* C 9 H3* C 9 -2.884 13.227 -11.417 93 H2* C 9 1H2* C 9 -4.768 11.827 -11.458 94 2HO* C 9 2HO* C 9 -4.555 11.707 -13.917 95 H1* C 9 H1* C 9 -3.411 9.430 -11.703 96 1H4 C 9 1H4 C 9 -3.567 11.016 -5.278 97 2H4 C 9 2H4 C 9 -5.049 10.132 -5.567 98 H5 C 9 H5 C 9 -2.047 11.654 -7.033 99 H6 C 9 H6 C 9 -1.612 11.577 -9.443 100 1H5* A 10 1H5* A 10 -6.190 12.729 -13.810 101 2H5* A 10 2H5* A 10 -7.253 14.124 -13.529 102 H4* A 10 H4* A 10 -7.986 11.853 -12.524 103 H3* A 10 H3* A 10 -7.733 14.453 -10.975 104 H2* A 10 1H2* A 10 -8.519 13.380 -9.030 105 2HO* A 10 2HO* A 10 -9.128 11.066 -10.589 106 H1* A 10 H1* A 10 -7.100 11.049 -9.340 107 H8 A 10 H8 A 10 -4.819 13.840 -10.324 108 1H6 A 10 1H6 A 10 -3.826 14.905 -4.342 109 2H6 A 10 2H6 A 10 -3.306 15.277 -5.971 110 H2 A 10 H2 A 10 -7.265 12.034 -4.696 111 1H5* U 11 1H5* U 11 -11.041 12.754 -9.507 112 2H5* U 11 2H5* U 11 -12.461 13.657 -10.073 113 H4* U 11 H4* U 11 -12.695 13.048 -7.694 114 H3* U 11 H3* U 11 -13.238 15.507 -8.735 115 H2* U 11 1H2* U 11 -11.190 16.543 -8.291 116 2HO* U 11 2HO* U 11 -11.432 17.720 -6.264 117 H1* U 11 H1* U 11 -10.968 15.330 -5.544 118 H3 U 11 H3 U 11 -6.719 16.660 -5.094 119 H5 U 11 H5 U 11 -7.075 16.177 -9.264 120 H6 U 11 H6 U 11 -9.373 15.485 -8.923 121 1H5* U 12 1H5* U 12 -16.792 14.782 -4.104 122 2H5* U 12 2H5* U 12 -15.340 15.655 -4.609 123 H4* U 12 H4* U 12 -15.106 12.724 -4.092 124 H3* U 12 H3* U 12 -16.311 14.209 -2.152 125 H2* U 12 1H2* U 12 -14.735 15.904 -1.962 126 2HO* U 12 2HO* U 12 -13.367 15.425 -0.169 127 H1* U 12 H1* U 12 -12.393 14.027 -2.180 128 H3 U 12 H3 U 12 -9.598 17.504 -2.298 129 H5 U 12 H5 U 12 -12.878 18.910 -4.535 130 H6 U 12 H6 U 12 -13.995 16.807 -4.100 131 1H5* A 13 1H5* A 13 -17.031 11.967 -3.424 132 2H5* A 13 2H5* A 13 -18.177 10.616 -3.337 133 H4* A 13 H4* A 13 -16.847 9.854 -5.060 134 H3* A 13 H3* A 13 -16.280 8.647 -2.586 135 H2* A 13 1H2* A 13 -14.144 9.465 -2.281 136 2HO* A 13 2HO* A 13 -13.916 7.198 -2.904 137 H1* A 13 H1* A 13 -13.577 9.651 -5.237 138 H8 A 13 H8 A 13 -13.604 11.608 -1.910 139 1H6 A 13 1H6 A 13 -8.124 13.805 -3.613 140 2H6 A 13 2H6 A 13 -9.304 13.744 -2.323 141 H2 A 13 H2 A 13 -9.743 11.304 -6.967 142 1H5* G 14 1H5* G 14 -14.223 4.322 -5.721 143 2H5* G 14 2H5* G 14 -13.932 5.616 -4.528 144 H4* G 14 H4* G 14 -15.090 6.369 -7.202 145 H3* G 14 H3* G 14 -12.306 5.248 -6.764 146 H2* G 14 1H2* G 14 -11.413 6.863 -8.188 147 2HO* G 14 2HO* G 14 -14.062 7.052 -9.153 148 H1* G 14 H1* G 14 -12.979 8.981 -7.383 149 H8 G 14 H8 G 14 -12.138 7.979 -4.170 150 H1 G 14 H1 G 14 -6.680 9.089 -7.264 151 1H2 G 14 1H2 G 14 -8.645 8.847 -10.138 152 2H2 G 14 2H2 G 14 -7.054 9.103 -9.455 153 1H5* G 15 1H5* G 15 -13.074 4.405 -11.045 154 2H5* G 15 2H5* G 15 -12.663 2.717 -11.449 155 H4* G 15 H4* G 15 -11.524 4.321 -12.938 156 H3* G 15 H3* G 15 -9.823 2.864 -10.892 157 H2* G 15 1H2* G 15 -7.891 3.875 -11.772 158 2HO* G 15 2HO* G 15 -9.441 4.947 -13.914 159 H1* G 15 H1* G 15 -8.956 6.384 -12.099 160 H8 G 15 H8 G 15 -10.293 5.190 -8.851 161 H1 G 15 H1 G 15 -4.098 6.622 -8.428 162 1H2 G 15 1H2 G 15 -4.195 6.694 -11.914 163 2H2 G 15 2H2 G 15 -3.240 6.875 -10.461 164 1H5* G 16 1H5* G 16 -7.640 2.738 -14.267 165 2H5* G 16 2H5* G 16 -7.178 1.072 -14.699 166 H4* G 16 H4* G 16 -5.246 2.620 -14.699 167 H3* G 16 H3* G 16 -5.383 0.550 -12.483 168 H2* G 16 1H2* G 16 -3.263 1.232 -11.742 169 2HO* G 16 2HO* G 16 -2.240 1.359 -13.791 170 H1* G 16 H1* G 16 -3.662 3.941 -12.096 171 H8 G 16 H8 G 16 -6.787 2.774 -10.540 172 H1 G 16 H1 G 16 -1.968 2.548 -6.376 173 1H2 G 16 1H2 G 16 0.066 2.975 -9.177 174 2H2 G 16 2H2 G 16 -0.034 2.764 -7.443 175 1H5* A 17 1H5* A 17 -1.842 -0.540 -14.359 176 2H5* A 17 2H5* A 17 -1.473 -2.272 -14.227 177 H4* A 17 H4* A 17 0.117 -0.811 -12.946 178 H3* A 17 H3* A 17 -1.662 -2.770 -11.446 179 H2* A 17 1H2* A 17 -0.453 -2.248 -9.488 180 2HO* A 17 2HO* A 17 1.448 -0.900 -9.614 181 H1* A 17 H1* A 17 -0.347 0.467 -9.946 182 H8 A 17 H8 A 17 -3.800 -0.533 -10.863 183 1H6 A 17 1H6 A 17 -5.162 -0.936 -4.874 184 2H6 A 17 2H6 A 17 -5.817 -0.905 -6.495 185 H2 A 17 H2 A 17 -0.702 -0.558 -5.264 186 1H5* U 18 1H5* U 18 2.220 -3.402 -10.337 187 2H5* U 18 2H5* U 18 2.683 -5.099 -10.090 188 H4* U 18 H4* U 18 3.143 -3.697 -8.086 189 H3* U 18 H3* U 18 0.979 -5.826 -7.878 190 H2* U 18 1H2* U 18 0.902 -5.391 -5.558 191 2HO* U 18 2HO* U 18 2.756 -3.449 -5.278 192 H1* U 18 H1* U 18 1.035 -2.650 -5.804 193 H3 U 18 H3 U 18 -3.095 -3.888 -4.237 194 H5 U 18 H5 U 18 -3.320 -4.299 -8.426 195 H6 U 18 H6 U 18 -0.926 -3.928 -8.526 196 1H5* C 19 1H5* C 19 4.486 -8.030 -5.815 197 2H5* C 19 2H5* C 19 4.060 -9.752 -5.786 198 H4* C 19 H4* C 19 4.124 -8.548 -3.520 199 H3* C 19 H3* C 19 1.688 -10.050 -4.539 200 H2* C 19 1H2* C 19 0.640 -9.682 -2.468 201 2HO* C 19 2HO* C 19 3.235 -8.935 -1.534 202 H1* C 19 H1* C 19 1.523 -7.082 -2.134 203 1H4 C 19 1H4 C 19 -3.863 -6.941 -5.980 204 2H4 C 19 2H4 C 19 -4.471 -6.918 -4.339 205 H5 C 19 H5 C 19 -1.529 -7.231 -6.517 206 H6 C 19 H6 C 19 0.718 -7.564 -5.599 207 1H5* U 20 1H5* U 20 2.462 -12.436 -1.126 208 2H5* U 20 2H5* U 20 2.188 -14.150 -1.501 209 H4* U 20 H4* U 20 0.633 -13.345 0.252 210 H3* U 20 H3* U 20 -0.476 -14.106 -2.467 211 H2* U 20 1H2* U 20 -2.658 -13.705 -1.704 212 2HO* U 20 2HO* U 20 -3.234 -13.780 0.384 213 H1* U 20 H1* U 20 -2.094 -11.438 -0.231 214 H3 U 20 H3 U 20 -4.702 -10.180 -3.758 215 H5 U 20 H5 U 20 -0.847 -10.638 -5.392 216 H6 U 20 H6 U 20 -0.127 -11.564 -3.271 217 1H5* C 21 1H5* C 21 -3.563 -18.284 -0.841 218 2H5* C 21 2H5* C 21 -3.392 -17.811 -2.543 219 H4* C 21 H4* C 21 -5.552 -17.196 -0.611 220 H3* C 21 H3* C 21 -5.196 -17.407 -3.618 221 H2* C 21 1H2* C 21 -7.167 -16.185 -3.950 222 2HO* C 21 2HO* C 21 -7.703 -16.587 -1.169 223 H1* C 21 H1* C 21 -6.790 -14.362 -1.906 224 1H4 C 21 1H4 C 21 -3.344 -12.261 -7.154 225 2H4 C 21 2H4 C 21 -4.962 -11.646 -7.405 226 H5 C 21 H5 C 21 -2.761 -13.749 -5.354 227 H6 C 21 H6 C 21 -3.603 -14.978 -3.411 228 H3T C 21 H3T C 21 -7.159 -18.494 -1.852 Start of MODEL 21 1 1H5* G 1 1H5* G 1 -15.414 -9.869 -9.754 2 2H5* G 1 2H5* G 1 -15.475 -8.436 -8.696 3 H4* G 1 H4* G 1 -16.346 -10.461 -7.575 4 H3* G 1 H3* G 1 -13.681 -9.362 -6.631 5 H2* G 1 1H2* G 1 -13.611 -10.987 -4.933 6 2HO* G 1 2HO* G 1 -16.215 -11.914 -5.570 7 H1* G 1 H1* G 1 -14.505 -13.090 -6.457 8 H8 G 1 H8 G 1 -12.245 -11.636 -8.864 9 H1 G 1 H1 G 1 -8.922 -13.581 -3.784 10 1H2 G 1 1H2 G 1 -12.027 -13.761 -2.206 11 2H2 G 1 2H2 G 1 -10.294 -13.976 -2.085 12 H5T G 1 H5T G 1 -13.478 -8.850 -9.963 13 1H5* G 2 1H5* G 2 -15.406 -10.307 -3.063 14 2H5* G 2 2H5* G 2 -15.763 -8.757 -2.258 15 H4* G 2 H4* G 2 -14.780 -10.256 -0.638 16 H3* G 2 H3* G 2 -12.825 -8.218 -1.751 17 H2* G 2 1H2* G 2 -11.184 -9.013 -0.258 18 2HO* G 2 2HO* G 2 -13.313 -10.446 1.003 19 H1* G 2 H1* G 2 -11.706 -11.678 -0.627 20 H8 G 2 H8 G 2 -12.006 -10.124 -3.997 21 H1 G 2 H1 G 2 -5.924 -10.524 -2.134 22 1H2 G 2 1H2 G 2 -7.253 -11.264 1.003 23 2H2 G 2 2H2 G 2 -5.822 -11.026 0.025 24 1H5* G 3 1H5* G 3 -12.399 -8.138 2.330 25 2H5* G 3 2H5* G 3 -12.287 -6.487 2.995 26 H4* G 3 H4* G 3 -10.397 -7.968 3.672 27 H3* G 3 H3* G 3 -9.827 -5.633 1.819 28 H2* G 3 1H2* G 3 -7.536 -6.120 1.928 29 2HO* G 3 2HO* G 3 -7.322 -6.440 4.156 30 H1* G 3 H1* G 3 -7.781 -8.873 1.852 31 H8 G 3 H8 G 3 -10.099 -7.366 -0.686 32 H1 G 3 H1 G 3 -4.033 -7.367 -2.643 33 1H2 G 3 1H2 G 3 -3.290 -8.195 0.663 34 2H2 G 3 2H2 G 3 -2.690 -7.860 -0.946 35 1H5* A 4 1H5* A 4 -6.405 -2.697 5.301 36 2H5* A 4 2H5* A 4 -6.895 -2.666 3.595 37 H4* A 4 H4* A 4 -4.926 -4.564 4.927 38 H3* A 4 H3* A 4 -4.782 -2.381 2.824 39 H2* A 4 1H2* A 4 -3.057 -3.533 1.730 40 2HO* A 4 2HO* A 4 -2.875 -5.422 3.846 41 H1* A 4 H1* A 4 -4.088 -6.074 2.046 42 H8 A 4 H8 A 4 -7.075 -4.265 1.023 43 1H6 A 4 1H6 A 4 -4.862 -3.830 -4.706 44 2H6 A 4 2H6 A 4 -6.284 -3.667 -3.701 45 H2 A 4 H2 A 4 -1.495 -5.077 -2.004 46 1H5* U 5 1H5* U 5 -0.695 -2.795 4.220 47 2H5* U 5 2H5* U 5 0.021 -1.181 4.406 48 H4* U 5 H4* U 5 1.377 -2.631 2.909 49 H3* U 5 H3* U 5 -0.020 -0.192 1.767 50 H2* U 5 1H2* U 5 0.956 -0.601 -0.326 51 2HO* U 5 2HO* U 5 2.660 -2.115 -0.588 52 H1* U 5 H1* U 5 0.673 -3.342 -0.306 53 H3 U 5 H3 U 5 -2.063 -1.664 -3.555 54 H5 U 5 H5 U 5 -4.170 -1.069 0.042 55 H6 U 5 H6 U 5 -2.180 -1.754 1.246 56 1H5* C 6 1H5* C 6 4.042 -0.245 0.232 57 2H5* C 6 2H5* C 6 4.730 1.341 0.640 58 H4* C 6 H4* C 6 5.216 0.892 -1.691 59 H3* C 6 H3* C 6 3.008 2.905 -1.173 60 H2* C 6 1H2* C 6 2.787 3.277 -3.481 61 2HO* C 6 2HO* C 6 4.358 2.430 -4.974 62 H1* C 6 H1* C 6 3.097 0.649 -4.280 63 1H4 C 6 1H4 C 6 -3.202 1.534 -2.404 64 2H4 C 6 2H4 C 6 -3.202 1.559 -4.153 65 H5 C 6 H5 C 6 -1.194 1.390 -1.088 66 H6 C 6 H6 C 6 1.249 1.238 -1.159 67 1H5* A 7 1H5* A 7 5.921 4.326 -3.655 68 2H5* A 7 2H5* A 7 6.473 6.006 -3.511 69 H4* A 7 H4* A 7 5.726 5.326 -5.833 70 H3* A 7 H3* A 7 5.443 7.738 -4.600 71 H2* A 7 1H2* A 7 3.309 7.456 -3.714 72 2HO* A 7 2HO* A 7 1.975 8.714 -4.906 73 H1* A 7 H1* A 7 2.245 6.114 -6.183 74 H8 A 7 H8 A 7 2.610 5.943 -2.334 75 1H6 A 7 1H6 A 7 -3.202 3.911 -2.324 76 2H6 A 7 2H6 A 7 -1.846 4.384 -1.324 77 H2 A 7 H2 A 7 -1.891 4.382 -6.597 78 1H5* C 8 1H5* C 8 2.975 9.355 -6.988 79 2H5* C 8 2H5* C 8 3.199 10.924 -7.789 80 H4* C 8 H4* C 8 2.960 9.326 -9.971 81 H3* C 8 H3* C 8 0.844 10.685 -8.272 82 H2* C 8 1H2* C 8 -0.823 9.776 -9.653 83 2HO* C 8 2HO* C 8 -0.309 9.924 -11.715 84 H1* C 8 H1* C 8 0.348 7.295 -10.003 85 1H4 C 8 1H4 C 8 -2.983 7.115 -4.296 86 2H4 C 8 2H4 C 8 -4.175 6.753 -5.524 87 H5 C 8 H5 C 8 -0.729 7.782 -4.806 88 H6 C 8 H6 C 8 0.876 8.254 -6.597 89 1H5* C 9 1H5* C 9 -1.308 13.136 -12.057 90 2H5* C 9 2H5* C 9 -2.229 13.634 -10.624 91 H4* C 9 H4* C 9 -2.898 11.638 -12.615 92 H3* C 9 H3* C 9 -4.217 12.880 -10.180 93 H2* C 9 1H2* C 9 -5.896 11.248 -10.247 94 2HO* C 9 2HO* C 9 -4.929 10.641 -12.867 95 H1* C 9 H1* C 9 -4.273 9.109 -10.896 96 1H4 C 9 1H4 C 9 -3.887 9.939 -4.345 97 2H4 C 9 2H4 C 9 -5.400 9.094 -4.585 98 H5 C 9 H5 C 9 -2.544 10.781 -6.161 99 H6 C 9 H6 C 9 -2.358 10.992 -8.594 100 1H5* A 10 1H5* A 10 -7.663 12.572 -12.262 101 2H5* A 10 2H5* A 10 -8.786 13.811 -11.664 102 H4* A 10 H4* A 10 -9.227 11.378 -10.924 103 H3* A 10 H3* A 10 -8.945 13.737 -9.034 104 H2* A 10 1H2* A 10 -9.392 12.336 -7.199 105 2HO* A 10 2HO* A 10 -10.744 10.883 -9.087 106 H1* A 10 H1* A 10 -7.903 10.183 -8.048 107 H8 A 10 H8 A 10 -5.822 13.152 -8.823 108 1H6 A 10 1H6 A 10 -4.319 13.489 -2.862 109 2H6 A 10 2H6 A 10 -3.947 14.069 -4.470 110 H2 A 10 H2 A 10 -7.743 10.606 -3.280 111 1H5* U 11 1H5* U 11 -12.036 11.476 -7.364 112 2H5* U 11 2H5* U 11 -13.500 12.408 -7.731 113 H4* U 11 H4* U 11 -13.555 11.501 -5.425 114 H3* U 11 H3* U 11 -14.269 14.034 -6.143 115 H2* U 11 1H2* U 11 -12.228 15.100 -5.722 116 2HO* U 11 2HO* U 11 -13.898 15.991 -4.303 117 H1* U 11 H1* U 11 -11.787 13.613 -3.140 118 H3 U 11 H3 U 11 -7.603 15.178 -2.800 119 H5 U 11 H5 U 11 -8.153 14.970 -6.971 120 H6 U 11 H6 U 11 -10.391 14.131 -6.569 121 1H5* U 12 1H5* U 12 -17.364 11.753 -1.631 122 2H5* U 12 2H5* U 12 -16.168 13.029 -1.870 123 H4* U 12 H4* U 12 -15.360 10.132 -1.890 124 H3* U 12 H3* U 12 -16.606 11.182 0.293 125 H2* U 12 1H2* U 12 -15.300 13.065 0.595 126 2HO* U 12 2HO* U 12 -14.942 11.391 2.389 127 H1* U 12 H1* U 12 -12.721 11.646 -0.026 128 H3 U 12 H3 U 12 -10.549 15.541 0.114 129 H5 U 12 H5 U 12 -14.216 16.622 -1.654 130 H6 U 12 H6 U 12 -14.925 14.316 -1.442 131 1H5* A 13 1H5* A 13 -17.213 8.987 -1.042 132 2H5* A 13 2H5* A 13 -18.076 7.437 -1.019 133 H4* A 13 H4* A 13 -16.789 7.129 -2.913 134 H3* A 13 H3* A 13 -15.777 5.830 -0.609 135 H2* A 13 1H2* A 13 -13.743 6.898 -0.473 136 2HO* A 13 2HO* A 13 -13.276 4.789 -1.416 137 H1* A 13 H1* A 13 -13.643 7.510 -3.422 138 H8 A 13 H8 A 13 -13.489 9.083 0.105 139 1H6 A 13 1H6 A 13 -8.619 12.208 -1.969 140 2H6 A 13 2H6 A 13 -9.592 11.845 -0.562 141 H2 A 13 H2 A 13 -10.347 9.852 -5.377 142 1H5* G 14 1H5* G 14 -13.606 2.253 -4.523 143 2H5* G 14 2H5* G 14 -13.315 3.432 -3.218 144 H4* G 14 H4* G 14 -15.082 4.280 -5.492 145 H3* G 14 H3* G 14 -12.148 3.571 -5.778 146 H2* G 14 1H2* G 14 -11.795 5.465 -7.094 147 2HO* G 14 2HO* G 14 -13.379 6.509 -8.197 148 H1* G 14 H1* G 14 -13.393 7.203 -5.684 149 H8 G 14 H8 G 14 -11.794 5.907 -2.887 150 H1 G 14 H1 G 14 -7.275 8.252 -6.717 151 1H2 G 14 1H2 G 14 -9.751 8.119 -9.171 152 2H2 G 14 2H2 G 14 -8.097 8.516 -8.766 153 1H5* G 15 1H5* G 15 -13.369 3.158 -9.968 154 2H5* G 15 2H5* G 15 -12.691 1.641 -10.617 155 H4* G 15 H4* G 15 -11.977 3.689 -11.865 156 H3* G 15 H3* G 15 -9.920 2.109 -10.293 157 H2* G 15 1H2* G 15 -8.223 3.525 -11.072 158 2HO* G 15 2HO* G 15 -10.042 4.787 -12.865 159 H1* G 15 H1* G 15 -9.637 5.886 -10.891 160 H8 G 15 H8 G 15 -10.409 4.113 -7.748 161 H1 G 15 H1 G 15 -4.367 6.144 -7.814 162 1H2 G 15 1H2 G 15 -4.909 6.653 -11.222 163 2H2 G 15 2H2 G 15 -3.798 6.748 -9.874 164 1H5* G 16 1H5* G 16 -7.796 3.123 -13.516 165 2H5* G 16 2H5* G 16 -7.452 1.632 -14.430 166 H4* G 16 H4* G 16 -5.418 2.930 -14.250 167 H3* G 16 H3* G 16 -5.570 0.591 -12.323 168 H2* G 16 1H2* G 16 -3.392 1.068 -11.590 169 2HO* G 16 2HO* G 16 -2.922 1.695 -14.042 170 H1* G 16 H1* G 16 -3.638 3.825 -11.603 171 H8 G 16 H8 G 16 -6.747 2.544 -10.037 172 H1 G 16 H1 G 16 -1.748 1.965 -6.122 173 1H2 G 16 1H2 G 16 0.162 2.639 -8.961 174 2H2 G 16 2H2 G 16 0.137 2.276 -7.250 175 1H5* A 17 1H5* A 17 -1.437 -2.558 -14.158 176 2H5* A 17 2H5* A 17 -2.578 -2.605 -12.799 177 H4* A 17 H4* A 17 0.042 -1.104 -13.013 178 H3* A 17 H3* A 17 -1.197 -3.167 -11.169 179 H2* A 17 1H2* A 17 0.066 -2.334 -9.373 180 2HO* A 17 2HO* A 17 1.691 -0.610 -9.884 181 H1* A 17 H1* A 17 -0.218 0.339 -9.973 182 H8 A 17 H8 A 17 -3.633 -0.726 -10.506 183 1H6 A 17 1H6 A 17 -4.365 -1.627 -4.461 184 2H6 A 17 2H6 A 17 -5.186 -1.464 -5.997 185 H2 A 17 H2 A 17 0.034 -1.213 -5.285 186 1H5* U 18 1H5* U 18 3.297 -5.107 -10.408 187 2H5* U 18 2H5* U 18 2.586 -3.484 -10.307 188 H4* U 18 H4* U 18 3.734 -4.263 -8.191 189 H3* U 18 H3* U 18 1.496 -6.304 -8.361 190 H2* U 18 1H2* U 18 1.258 -6.243 -6.031 191 2HO* U 18 2HO* U 18 2.810 -5.241 -4.681 192 H1* U 18 H1* U 18 1.578 -3.519 -5.731 193 H3 U 18 H3 U 18 -2.732 -4.561 -4.636 194 H5 U 18 H5 U 18 -2.677 -4.483 -8.849 195 H6 U 18 H6 U 18 -0.264 -4.273 -8.751 196 1H5* C 19 1H5* C 19 4.621 -7.980 -5.568 197 2H5* C 19 2H5* C 19 4.409 -9.740 -5.473 198 H4* C 19 H4* C 19 4.149 -8.462 -3.275 199 H3* C 19 H3* C 19 1.952 -10.230 -4.407 200 H2* C 19 1H2* C 19 0.727 -9.890 -2.427 201 2HO* C 19 2HO* C 19 1.634 -9.389 -0.546 202 H1* C 19 H1* C 19 1.320 -7.204 -2.161 203 1H4 C 19 1H4 C 19 -3.728 -7.829 -6.405 204 2H4 C 19 2H4 C 19 -4.453 -7.537 -4.840 205 H5 C 19 H5 C 19 -1.363 -8.138 -6.727 206 H6 C 19 H6 C 19 0.820 -8.229 -5.621 207 1H5* U 20 1H5* U 20 2.462 -11.515 -0.522 208 2H5* U 20 2H5* U 20 2.070 -13.235 -0.314 209 H4* U 20 H4* U 20 0.544 -11.664 0.944 210 H3* U 20 H3* U 20 -0.520 -13.526 -1.202 211 H2* U 20 1H2* U 20 -2.704 -12.835 -0.709 212 2HO* U 20 2HO* U 20 -3.207 -11.657 1.175 213 H1* U 20 H1* U 20 -2.126 -10.159 -0.325 214 H3 U 20 H3 U 20 -4.801 -10.510 -4.005 215 H5 U 20 H5 U 20 -0.965 -11.594 -5.365 216 H6 U 20 H6 U 20 -0.206 -11.554 -3.062 217 1H5* C 21 1H5* C 21 -3.076 -13.940 2.418 218 2H5* C 21 2H5* C 21 -3.087 -15.689 2.725 219 H4* C 21 H4* C 21 -5.371 -14.891 2.860 220 H3* C 21 H3* C 21 -4.671 -16.405 0.325 221 H2* C 21 1H2* C 21 -6.895 -16.229 -0.402 222 2HO* C 21 2HO* C 21 -7.766 -16.765 1.743 223 H1* C 21 H1* C 21 -7.329 -13.638 0.463 224 1H4 C 21 1H4 C 21 -4.310 -13.467 -5.439 225 2H4 C 21 2H4 C 21 -6.007 -13.179 -5.748 226 H5 C 21 H5 C 21 -3.436 -13.992 -3.256 227 H6 C 21 H6 C 21 -4.001 -14.360 -0.901 228 H3T C 21 H3T C 21 -5.325 -18.065 1.517 Start of MODEL 22 1 1H5* G 1 1H5* G 1 -14.811 -8.007 -9.978 2 2H5* G 1 2H5* G 1 -15.092 -6.883 -8.623 3 H4* G 1 H4* G 1 -15.867 -9.158 -8.086 4 H3* G 1 H3* G 1 -13.355 -8.188 -6.690 5 H2* G 1 1H2* G 1 -13.281 -10.180 -5.439 6 2HO* G 1 2HO* G 1 -15.412 -10.439 -4.839 7 H1* G 1 H1* G 1 -13.928 -11.882 -7.497 8 H8 G 1 H8 G 1 -11.622 -9.761 -9.287 9 H1 G 1 H1 G 1 -8.505 -12.833 -4.653 10 1H2 G 1 1H2 G 1 -11.682 -13.485 -3.370 11 2H2 G 1 2H2 G 1 -9.952 -13.675 -3.195 12 H5T G 1 H5T G 1 -13.068 -6.452 -8.767 13 1H5* G 2 1H5* G 2 -15.620 -9.473 -3.248 14 2H5* G 2 2H5* G 2 -15.723 -8.025 -2.210 15 H4* G 2 H4* G 2 -14.929 -10.003 -0.960 16 H3* G 2 H3* G 2 -12.922 -7.804 -1.542 17 H2* G 2 1H2* G 2 -11.282 -8.955 -0.320 18 2HO* G 2 2HO* G 2 -13.080 -10.947 0.560 19 H1* G 2 H1* G 2 -11.924 -11.493 -1.199 20 H8 G 2 H8 G 2 -12.049 -9.151 -4.124 21 H1 G 2 H1 G 2 -6.079 -10.680 -2.513 22 1H2 G 2 1H2 G 2 -7.516 -11.986 0.381 23 2H2 G 2 2H2 G 2 -6.058 -11.687 -0.537 24 1H5* G 3 1H5* G 3 -11.489 -5.767 3.088 25 2H5* G 3 2H5* G 3 -10.984 -5.574 1.388 26 H4* G 3 H4* G 3 -9.983 -7.486 3.535 27 H3* G 3 H3* G 3 -8.806 -5.347 1.734 28 H2* G 3 1H2* G 3 -6.746 -6.468 1.719 29 2HO* G 3 2HO* G 3 -7.736 -7.591 4.084 30 H1* G 3 H1* G 3 -7.759 -9.019 1.496 31 H8 G 3 H8 G 3 -9.874 -7.271 -0.890 32 H1 G 3 H1 G 3 -3.847 -7.324 -2.958 33 1H2 G 3 1H2 G 3 -3.064 -8.261 0.310 34 2H2 G 3 2H2 G 3 -2.481 -7.896 -1.298 35 1H5* A 4 1H5* A 4 -6.087 -1.883 4.982 36 2H5* A 4 2H5* A 4 -6.755 -2.155 3.360 37 H4* A 4 H4* A 4 -4.805 -3.965 4.847 38 H3* A 4 H3* A 4 -4.589 -2.044 2.511 39 H2* A 4 1H2* A 4 -2.985 -3.438 1.509 40 2HO* A 4 2HO* A 4 -1.710 -4.737 2.630 41 H1* A 4 H1* A 4 -4.217 -5.830 2.089 42 H8 A 4 H8 A 4 -7.150 -4.070 1.011 43 1H6 A 4 1H6 A 4 -5.040 -3.797 -4.765 44 2H6 A 4 2H6 A 4 -6.442 -3.595 -3.738 45 H2 A 4 H2 A 4 -1.624 -4.965 -2.090 46 1H5* U 5 1H5* U 5 -0.759 -2.017 4.479 47 2H5* U 5 2H5* U 5 0.105 -0.470 4.597 48 H4* U 5 H4* U 5 1.465 -2.098 3.366 49 H3* U 5 H3* U 5 0.250 0.194 1.795 50 H2* U 5 1H2* U 5 1.341 -0.546 -0.148 51 2HO* U 5 2HO* U 5 3.276 -1.181 1.421 52 H1* U 5 H1* U 5 0.945 -3.248 0.246 53 H3 U 5 H3 U 5 -1.480 -1.920 -3.403 54 H5 U 5 H5 U 5 -3.835 -0.860 -0.074 55 H6 U 5 H6 U 5 -1.961 -1.430 1.353 56 1H5* C 6 1H5* C 6 4.318 0.022 0.159 57 2H5* C 6 2H5* C 6 4.934 1.613 0.654 58 H4* C 6 H4* C 6 5.428 1.370 -1.690 59 H3* C 6 H3* C 6 3.038 3.129 -1.069 60 H2* C 6 1H2* C 6 2.778 3.616 -3.352 61 2HO* C 6 2HO* C 6 4.375 3.122 -4.887 62 H1* C 6 H1* C 6 3.257 1.071 -4.282 63 1H4 C 6 1H4 C 6 -3.001 1.456 -2.107 64 2H4 C 6 2H4 C 6 -3.078 1.584 -3.849 65 H5 C 6 H5 C 6 -0.934 1.332 -0.884 66 H6 C 6 H6 C 6 1.507 1.323 -1.060 67 1H5* A 7 1H5* A 7 6.101 5.482 -3.079 68 2H5* A 7 2H5* A 7 5.965 7.239 -2.875 69 H4* A 7 H4* A 7 5.644 6.173 -5.254 70 H3* A 7 H3* A 7 4.917 8.576 -4.201 71 H2* A 7 1H2* A 7 2.805 8.019 -3.402 72 2HO* A 7 2HO* A 7 2.255 8.523 -6.163 73 H1* A 7 H1* A 7 2.110 6.362 -5.808 74 H8 A 7 H8 A 7 2.393 6.315 -1.941 75 1H6 A 7 1H6 A 7 -3.242 3.825 -2.035 76 2H6 A 7 2H6 A 7 -1.948 4.405 -1.009 77 H2 A 7 H2 A 7 -1.890 4.399 -6.283 78 1H5* C 8 1H5* C 8 2.668 11.383 -8.139 79 2H5* C 8 2H5* C 8 2.270 10.041 -7.046 80 H4* C 8 H4* C 8 2.506 9.555 -10.021 81 H3* C 8 H3* C 8 0.198 10.806 -8.496 82 H2* C 8 1H2* C 8 -1.321 9.579 -9.796 83 2HO* C 8 2HO* C 8 0.817 8.779 -11.509 84 H1* C 8 H1* C 8 0.138 7.228 -9.891 85 1H4 C 8 1H4 C 8 -3.208 7.090 -4.206 86 2H4 C 8 2H4 C 8 -4.366 6.562 -5.406 87 H5 C 8 H5 C 8 -1.032 7.951 -4.763 88 H6 C 8 H6 C 8 0.522 8.466 -6.584 89 1H5* C 9 1H5* C 9 -2.697 13.267 -12.167 90 2H5* C 9 2H5* C 9 -2.916 12.849 -10.455 91 H4* C 9 H4* C 9 -3.652 11.217 -12.904 92 H3* C 9 H3* C 9 -5.076 12.370 -10.487 93 H2* C 9 1H2* C 9 -6.624 10.600 -10.546 94 2HO* C 9 2HO* C 9 -5.577 10.092 -13.154 95 H1* C 9 H1* C 9 -4.819 8.597 -11.086 96 1H4 C 9 1H4 C 9 -4.384 9.762 -4.597 97 2H4 C 9 2H4 C 9 -5.865 8.844 -4.762 98 H5 C 9 H5 C 9 -3.118 10.569 -6.477 99 H6 C 9 H6 C 9 -2.990 10.672 -8.921 100 1H5* A 10 1H5* A 10 -8.222 11.800 -12.437 101 2H5* A 10 2H5* A 10 -9.525 12.978 -12.170 102 H4* A 10 H4* A 10 -9.949 10.789 -11.032 103 H3* A 10 H3* A 10 -9.555 13.320 -9.404 104 H2* A 10 1H2* A 10 -9.977 12.123 -7.422 105 2HO* A 10 2HO* A 10 -10.665 9.834 -7.620 106 H1* A 10 H1* A 10 -8.541 9.875 -8.081 107 H8 A 10 H8 A 10 -6.622 12.894 -9.229 108 1H6 A 10 1H6 A 10 -4.550 13.485 -3.460 109 2H6 A 10 2H6 A 10 -4.371 14.036 -5.112 110 H2 A 10 H2 A 10 -7.839 10.420 -3.459 111 1H5* U 11 1H5* U 11 -12.672 11.612 -7.732 112 2H5* U 11 2H5* U 11 -14.159 12.580 -7.785 113 H4* U 11 H4* U 11 -13.698 11.657 -5.514 114 H3* U 11 H3* U 11 -14.611 14.161 -6.074 115 H2* U 11 1H2* U 11 -12.545 15.282 -6.098 116 2HO* U 11 2HO* U 11 -13.933 16.102 -4.329 117 H1* U 11 H1* U 11 -11.548 13.823 -3.659 118 H3 U 11 H3 U 11 -7.467 15.589 -4.158 119 H5 U 11 H5 U 11 -8.724 15.077 -8.145 120 H6 U 11 H6 U 11 -10.827 14.215 -7.304 121 1H5* U 12 1H5* U 12 -17.088 12.810 -1.645 122 2H5* U 12 2H5* U 12 -16.533 13.772 -0.265 123 H4* U 12 H4* U 12 -15.462 11.308 -1.317 124 H3* U 12 H3* U 12 -15.847 12.448 1.126 125 H2* U 12 1H2* U 12 -14.242 14.105 1.032 126 2HO* U 12 2HO* U 12 -13.628 12.622 2.744 127 H1* U 12 H1* U 12 -12.178 12.383 -0.317 128 H3 U 12 H3 U 12 -9.667 16.093 -0.609 129 H5 U 12 H5 U 12 -13.470 17.439 -1.828 130 H6 U 12 H6 U 12 -14.336 15.225 -1.350 131 1H5* A 13 1H5* A 13 -17.008 9.642 -0.572 132 2H5* A 13 2H5* A 13 -17.744 8.148 0.044 133 H4* A 13 H4* A 13 -17.112 7.548 -2.137 134 H3* A 13 H3* A 13 -15.769 6.339 -0.051 135 H2* A 13 1H2* A 13 -13.748 7.461 -0.211 136 2HO* A 13 2HO* A 13 -13.314 5.269 -0.835 137 H1* A 13 H1* A 13 -13.843 7.668 -3.210 138 H8 A 13 H8 A 13 -13.502 9.680 0.070 139 1H6 A 13 1H6 A 13 -8.863 12.613 -2.703 140 2H6 A 13 2H6 A 13 -9.745 12.421 -1.204 141 H2 A 13 H2 A 13 -10.718 9.804 -5.663 142 1H5* G 14 1H5* G 14 -14.131 2.328 -3.868 143 2H5* G 14 2H5* G 14 -13.644 3.597 -2.714 144 H4* G 14 H4* G 14 -15.469 4.308 -5.010 145 H3* G 14 H3* G 14 -12.551 3.516 -5.228 146 H2* G 14 1H2* G 14 -12.164 5.263 -6.721 147 2HO* G 14 2HO* G 14 -14.299 4.760 -7.840 148 H1* G 14 H1* G 14 -13.730 7.161 -5.486 149 H8 G 14 H8 G 14 -12.146 6.157 -2.579 150 H1 G 14 H1 G 14 -7.591 7.944 -6.660 151 1H2 G 14 1H2 G 14 -10.079 7.581 -9.080 152 2H2 G 14 2H2 G 14 -8.414 7.986 -8.724 153 1H5* G 15 1H5* G 15 -13.570 2.359 -9.533 154 2H5* G 15 2H5* G 15 -12.572 0.896 -9.750 155 H4* G 15 H4* G 15 -12.091 2.987 -11.217 156 H3* G 15 H3* G 15 -10.005 1.567 -9.530 157 H2* G 15 1H2* G 15 -8.358 2.986 -10.400 158 2HO* G 15 2HO* G 15 -10.301 3.639 -12.385 159 H1* G 15 H1* G 15 -9.870 5.297 -10.376 160 H8 G 15 H8 G 15 -10.565 3.799 -7.103 161 H1 G 15 H1 G 15 -4.530 5.828 -7.396 162 1H2 G 15 1H2 G 15 -5.086 6.010 -10.832 163 2H2 G 15 2H2 G 15 -3.970 6.233 -9.504 164 1H5* G 16 1H5* G 16 -7.977 2.533 -12.947 165 2H5* G 16 2H5* G 16 -7.729 0.986 -13.797 166 H4* G 16 H4* G 16 -5.696 2.248 -13.986 167 H3* G 16 H3* G 16 -5.582 0.187 -11.760 168 H2* G 16 1H2* G 16 -3.326 0.748 -11.392 169 2HO* G 16 2HO* G 16 -2.302 1.000 -13.260 170 H1* G 16 H1* G 16 -3.647 3.471 -11.635 171 H8 G 16 H8 G 16 -6.582 2.321 -9.684 172 H1 G 16 H1 G 16 -1.258 2.095 -6.190 173 1H2 G 16 1H2 G 16 0.392 2.549 -9.229 174 2H2 G 16 2H2 G 16 0.522 2.328 -7.499 175 1H5* A 17 1H5* A 17 -2.438 -1.058 -14.239 176 2H5* A 17 2H5* A 17 -2.081 -2.790 -14.078 177 H4* A 17 H4* A 17 -0.285 -1.261 -13.167 178 H3* A 17 H3* A 17 -1.735 -3.233 -11.368 179 H2* A 17 1H2* A 17 -0.257 -2.657 -9.622 180 2HO* A 17 2HO* A 17 1.702 -1.857 -9.959 181 H1* A 17 H1* A 17 -0.302 0.050 -10.081 182 H8 A 17 H8 A 17 -3.805 -1.145 -10.549 183 1H6 A 17 1H6 A 17 -4.397 -1.359 -4.426 184 2H6 A 17 2H6 A 17 -5.246 -1.437 -5.953 185 H2 A 17 H2 A 17 -0.048 -0.756 -5.383 186 1H5* U 18 1H5* U 18 2.098 -3.658 -10.743 187 2H5* U 18 2H5* U 18 2.775 -5.299 -10.746 188 H4* U 18 H4* U 18 3.439 -4.242 -8.680 189 H3* U 18 H3* U 18 1.150 -6.220 -8.386 190 H2* U 18 1H2* U 18 1.291 -5.944 -6.043 191 2HO* U 18 2HO* U 18 3.014 -4.669 -5.122 192 H1* U 18 H1* U 18 1.541 -3.214 -6.101 193 H3 U 18 H3 U 18 -2.640 -4.026 -4.506 194 H5 U 18 H5 U 18 -2.943 -4.792 -8.639 195 H6 U 18 H6 U 18 -0.539 -4.518 -8.801 196 1H5* C 19 1H5* C 19 4.460 -8.504 -6.439 197 2H5* C 19 2H5* C 19 3.953 -10.195 -6.265 198 H4* C 19 H4* C 19 4.036 -8.737 -4.126 199 H3* C 19 H3* C 19 1.640 -10.382 -5.008 200 H2* C 19 1H2* C 19 0.536 -9.798 -3.020 201 2HO* C 19 2HO* C 19 1.957 -8.423 -1.475 202 H1* C 19 H1* C 19 1.380 -7.164 -2.944 203 1H4 C 19 1H4 C 19 -3.898 -7.477 -6.924 204 2H4 C 19 2H4 C 19 -4.554 -7.278 -5.315 205 H5 C 19 H5 C 19 -1.555 -7.820 -7.360 206 H6 C 19 H6 C 19 0.666 -8.032 -6.353 207 1H5* U 20 1H5* U 20 2.183 -11.673 -1.218 208 2H5* U 20 2H5* U 20 2.022 -13.431 -1.030 209 H4* U 20 H4* U 20 0.357 -12.307 0.362 210 H3* U 20 H3* U 20 -0.658 -13.723 -2.122 211 H2* U 20 1H2* U 20 -2.866 -13.207 -1.521 212 2HO* U 20 2HO* U 20 -2.346 -13.721 0.814 213 H1* U 20 H1* U 20 -2.378 -10.644 -0.619 214 H3 U 20 H3 U 20 -4.916 -10.181 -4.355 215 H5 U 20 H5 U 20 -1.094 -11.183 -5.820 216 H6 U 20 H6 U 20 -0.393 -11.581 -3.534 217 1H5* C 21 1H5* C 21 -2.803 -16.315 1.226 218 2H5* C 21 2H5* C 21 -3.033 -17.817 0.310 219 H4* C 21 H4* C 21 -5.152 -16.635 1.181 220 H3* C 21 H3* C 21 -4.710 -17.411 -1.722 221 H2* C 21 1H2* C 21 -6.892 -16.694 -2.218 222 2HO* C 21 2HO* C 21 -7.815 -17.707 -0.283 223 H1* C 21 H1* C 21 -6.869 -14.451 -0.595 224 1H4 C 21 1H4 C 21 -4.037 -12.928 -6.391 225 2H4 C 21 2H4 C 21 -5.705 -12.417 -6.521 226 H5 C 21 H5 C 21 -3.164 -14.120 -4.488 227 H6 C 21 H6 C 21 -3.704 -15.083 -2.300 228 H3T C 21 H3T C 21 -5.699 -19.223 -1.064 Start of MODEL 23 1 1H5* G 1 1H5* G 1 -13.999 -10.050 -9.225 2 2H5* G 1 2H5* G 1 -12.749 -11.141 -9.877 3 H4* G 1 H4* G 1 -15.047 -12.164 -8.181 4 H3* G 1 H3* G 1 -12.530 -10.731 -7.282 5 H2* G 1 1H2* G 1 -12.329 -12.220 -5.473 6 2HO* G 1 2HO* G 1 -14.325 -13.887 -5.566 7 H1* G 1 H1* G 1 -12.966 -14.504 -6.861 8 H8 G 1 H8 G 1 -10.826 -13.142 -9.369 9 H1 G 1 H1 G 1 -7.412 -13.947 -4.047 10 1H2 G 1 1H2 G 1 -10.509 -14.262 -2.477 11 2H2 G 1 2H2 G 1 -8.767 -14.258 -2.316 12 H5T G 1 H5T G 1 -15.498 -10.997 -10.459 13 1H5* G 2 1H5* G 2 -14.621 -11.332 -3.587 14 2H5* G 2 2H5* G 2 -14.961 -9.683 -2.999 15 H4* G 2 H4* G 2 -14.090 -11.139 -1.205 16 H3* G 2 H3* G 2 -12.261 -8.958 -2.252 17 H2* G 2 1H2* G 2 -10.645 -9.532 -0.644 18 2HO* G 2 2HO* G 2 -12.717 -11.072 0.586 19 H1* G 2 H1* G 2 -10.905 -12.259 -0.876 20 H8 G 2 H8 G 2 -11.075 -10.980 -4.354 21 H1 G 2 H1 G 2 -5.159 -10.579 -2.023 22 1H2 G 2 1H2 G 2 -6.653 -11.226 1.057 23 2H2 G 2 2H2 G 2 -5.180 -10.907 0.169 24 1H5* G 3 1H5* G 3 -11.985 -5.484 2.241 25 2H5* G 3 2H5* G 3 -11.348 -5.584 0.579 26 H4* G 3 H4* G 3 -10.609 -7.204 3.057 27 H3* G 3 H3* G 3 -9.194 -5.294 1.173 28 H2* G 3 1H2* G 3 -7.170 -6.437 1.535 29 2HO* G 3 2HO* G 3 -7.854 -6.707 3.928 30 H1* G 3 H1* G 3 -8.210 -8.979 1.435 31 H8 G 3 H8 G 3 -10.033 -7.665 -1.358 32 H1 G 3 H1 G 3 -3.804 -7.367 -2.657 33 1H2 G 3 1H2 G 3 -3.380 -7.870 0.767 34 2H2 G 3 2H2 G 3 -2.627 -7.624 -0.792 35 1H5* A 4 1H5* A 4 -7.091 -4.276 4.817 36 2H5* A 4 2H5* A 4 -6.446 -2.624 4.732 37 H4* A 4 H4* A 4 -4.742 -4.537 4.538 38 H3* A 4 H3* A 4 -5.041 -2.316 2.493 39 H2* A 4 1H2* A 4 -3.219 -3.179 1.292 40 2HO* A 4 2HO* A 4 -1.594 -4.038 2.324 41 H1* A 4 H1* A 4 -3.844 -5.850 1.601 42 H8 A 4 H8 A 4 -7.094 -4.385 0.752 43 1H6 A 4 1H6 A 4 -5.222 -3.710 -5.077 44 2H6 A 4 2H6 A 4 -6.604 -3.699 -4.004 45 H2 A 4 H2 A 4 -1.620 -4.621 -2.553 46 1H5* U 5 1H5* U 5 -0.999 -2.280 4.188 47 2H5* U 5 2H5* U 5 -0.246 -0.673 4.227 48 H4* U 5 H4* U 5 1.106 -2.384 2.977 49 H3* U 5 H3* U 5 -0.003 0.068 1.577 50 H2* U 5 1H2* U 5 1.087 -0.567 -0.407 51 2HO* U 5 2HO* U 5 2.547 -2.359 1.264 52 H1* U 5 H1* U 5 0.523 -3.250 -0.251 53 H3 U 5 H3 U 5 -1.914 -1.561 -3.717 54 H5 U 5 H5 U 5 -4.088 -0.509 -0.266 55 H6 U 5 H6 U 5 -2.223 -1.293 1.070 56 1H5* C 6 1H5* C 6 3.956 -0.066 0.422 57 2H5* C 6 2H5* C 6 4.760 1.501 0.643 58 H4* C 6 H4* C 6 5.080 0.758 -1.662 59 H3* C 6 H3* C 6 3.142 3.050 -1.213 60 H2* C 6 1H2* C 6 2.806 3.244 -3.529 61 2HO* C 6 2HO* C 6 4.189 2.355 -5.042 62 H1* C 6 H1* C 6 2.765 0.541 -4.096 63 1H4 C 6 1H4 C 6 -3.242 2.296 -1.918 64 2H4 C 6 2H4 C 6 -3.327 2.359 -3.663 65 H5 C 6 H5 C 6 -1.208 1.827 -0.713 66 H6 C 6 H6 C 6 1.186 1.361 -0.920 67 1H5* A 7 1H5* A 7 5.869 4.004 -4.122 68 2H5* A 7 2H5* A 7 6.455 5.677 -4.188 69 H4* A 7 H4* A 7 5.309 4.760 -6.302 70 H3* A 7 H3* A 7 5.472 7.309 -5.356 71 H2* A 7 1H2* A 7 3.510 7.384 -4.113 72 2HO* A 7 2HO* A 7 2.532 7.917 -6.746 73 H1* A 7 H1* A 7 1.898 5.897 -6.162 74 H8 A 7 H8 A 7 2.950 6.132 -2.443 75 1H6 A 7 1H6 A 7 -2.917 4.773 -1.168 76 2H6 A 7 2H6 A 7 -1.367 5.209 -0.487 77 H2 A 7 H2 A 7 -2.370 4.562 -5.624 78 1H5* C 8 1H5* C 8 3.018 9.989 -9.478 79 2H5* C 8 2H5* C 8 2.806 8.973 -8.039 80 H4* C 8 H4* C 8 2.703 7.629 -10.719 81 H3* C 8 H3* C 8 0.570 9.474 -9.580 82 H2* C 8 1H2* C 8 -1.065 8.025 -10.453 83 2HO* C 8 2HO* C 8 -0.391 7.519 -12.472 84 H1* C 8 H1* C 8 0.233 5.683 -9.774 85 1H4 C 8 1H4 C 8 -3.032 7.784 -4.422 86 2H4 C 8 2H4 C 8 -4.232 6.943 -5.376 87 H5 C 8 H5 C 8 -0.802 8.247 -5.218 88 H6 C 8 H6 C 8 0.776 7.950 -7.072 89 1H5* C 9 1H5* C 9 -0.765 9.153 -13.950 90 2H5* C 9 2H5* C 9 -1.656 10.670 -14.184 91 H4* C 9 H4* C 9 -2.923 8.388 -14.435 92 H3* C 9 H3* C 9 -3.859 10.804 -12.852 93 H2* C 9 1H2* C 9 -5.858 9.682 -12.351 94 2HO* C 9 2HO* C 9 -5.139 7.673 -14.249 95 H1* C 9 H1* C 9 -4.749 7.182 -11.952 96 1H4 C 9 1H4 C 9 -4.115 10.461 -6.256 97 2H4 C 9 2H4 C 9 -5.756 9.854 -6.235 98 H5 C 9 H5 C 9 -2.668 10.288 -8.176 99 H6 C 9 H6 C 9 -2.479 9.490 -10.484 100 1H5* A 10 1H5* A 10 -8.802 11.714 -15.248 101 2H5* A 10 2H5* A 10 -7.746 12.670 -14.189 102 H4* A 10 H4* A 10 -9.271 10.134 -13.568 103 H3* A 10 H3* A 10 -8.936 12.903 -12.370 104 H2* A 10 1H2* A 10 -9.367 12.044 -10.233 105 2HO* A 10 2HO* A 10 -10.245 9.639 -11.510 106 H1* A 10 H1* A 10 -7.968 9.685 -10.506 107 H8 A 10 H8 A 10 -5.664 12.118 -11.937 108 1H6 A 10 1H6 A 10 -4.457 14.295 -6.307 109 2H6 A 10 2H6 A 10 -3.945 14.286 -7.980 110 H2 A 10 H2 A 10 -8.097 11.676 -6.042 111 1H5* U 11 1H5* U 11 -11.899 11.475 -10.010 112 2H5* U 11 2H5* U 11 -13.379 12.145 -10.728 113 H4* U 11 H4* U 11 -13.511 12.184 -8.266 114 H3* U 11 H3* U 11 -14.183 14.273 -9.880 115 H2* U 11 1H2* U 11 -12.146 15.437 -9.818 116 2HO* U 11 2HO* U 11 -13.254 17.104 -9.064 117 H1* U 11 H1* U 11 -11.786 14.992 -6.864 118 H3 U 11 H3 U 11 -7.690 16.789 -7.114 119 H5 U 11 H5 U 11 -7.927 14.552 -10.677 120 H6 U 11 H6 U 11 -10.197 13.954 -10.075 121 1H5* U 12 1H5* U 12 -17.554 14.364 -5.925 122 2H5* U 12 2H5* U 12 -17.438 15.834 -4.944 123 H4* U 12 H4* U 12 -16.007 13.345 -4.683 124 H3* U 12 H3* U 12 -17.024 15.251 -3.029 125 H2* U 12 1H2* U 12 -15.517 16.958 -3.444 126 2HO* U 12 2HO* U 12 -14.871 17.018 -1.434 127 H1* U 12 H1* U 12 -13.116 15.154 -3.545 128 H3 U 12 H3 U 12 -10.688 18.656 -4.903 129 H5 U 12 H5 U 12 -14.277 19.141 -7.057 130 H6 U 12 H6 U 12 -15.147 17.181 -5.923 131 1H5* A 13 1H5* A 13 -17.720 12.636 -3.569 132 2H5* A 13 2H5* A 13 -18.736 11.288 -3.020 133 H4* A 13 H4* A 13 -17.390 10.168 -4.532 134 H3* A 13 H3* A 13 -16.651 9.786 -1.831 135 H2* A 13 1H2* A 13 -14.533 10.698 -1.919 136 2HO* A 13 2HO* A 13 -14.201 8.377 -1.896 137 H1* A 13 H1* A 13 -14.186 10.081 -4.849 138 H8 A 13 H8 A 13 -14.187 13.020 -2.333 139 1H6 A 13 1H6 A 13 -8.741 14.526 -4.773 140 2H6 A 13 2H6 A 13 -9.919 14.930 -3.545 141 H2 A 13 H2 A 13 -10.342 10.947 -6.969 142 1H5* G 14 1H5* G 14 -15.021 4.673 -4.183 143 2H5* G 14 2H5* G 14 -14.436 6.107 -3.301 144 H4* G 14 H4* G 14 -16.031 6.487 -5.836 145 H3* G 14 H3* G 14 -13.241 5.315 -5.638 146 H2* G 14 1H2* G 14 -12.530 6.614 -7.437 147 2HO* G 14 2HO* G 14 -14.011 7.717 -8.807 148 H1* G 14 H1* G 14 -13.872 8.922 -6.786 149 H8 G 14 H8 G 14 -12.634 8.444 -3.602 150 H1 G 14 H1 G 14 -7.612 8.532 -7.523 151 1H2 G 14 1H2 G 14 -9.975 7.960 -10.022 152 2H2 G 14 2H2 G 14 -8.292 8.194 -9.608 153 1H5* G 15 1H5* G 15 -13.248 1.795 -10.176 154 2H5* G 15 2H5* G 15 -12.243 1.891 -8.706 155 H4* G 15 H4* G 15 -12.115 3.413 -11.313 156 H3* G 15 H3* G 15 -10.184 2.100 -9.373 157 H2* G 15 1H2* G 15 -8.477 3.495 -10.134 158 2HO* G 15 2HO* G 15 -8.604 4.662 -12.058 159 H1* G 15 H1* G 15 -9.974 5.790 -10.399 160 H8 G 15 H8 G 15 -11.053 4.782 -7.142 161 H1 G 15 H1 G 15 -4.783 5.897 -6.975 162 1H2 G 15 1H2 G 15 -4.992 5.732 -10.453 163 2H2 G 15 2H2 G 15 -3.980 5.960 -9.044 164 1H5* G 16 1H5* G 16 -8.051 2.795 -12.980 165 2H5* G 16 2H5* G 16 -7.663 1.171 -13.608 166 H4* G 16 H4* G 16 -5.765 2.718 -13.868 167 H3* G 16 H3* G 16 -5.512 0.566 -11.746 168 H2* G 16 1H2* G 16 -3.306 1.255 -11.308 169 2HO* G 16 2HO* G 16 -3.467 2.965 -13.592 170 H1* G 16 H1* G 16 -3.793 3.954 -11.389 171 H8 G 16 H8 G 16 -6.717 2.525 -9.618 172 H1 G 16 H1 G 16 -1.492 2.311 -5.980 173 1H2 G 16 1H2 G 16 0.219 3.055 -8.925 174 2H2 G 16 2H2 G 16 0.310 2.722 -7.210 175 1H5* A 17 1H5* A 17 -2.287 -0.345 -14.245 176 2H5* A 17 2H5* A 17 -1.840 -2.063 -14.215 177 H4* A 17 H4* A 17 -0.125 -0.541 -13.172 178 H3* A 17 H3* A 17 -1.516 -2.700 -11.559 179 H2* A 17 1H2* A 17 -0.177 -2.177 -9.700 180 2HO* A 17 2HO* A 17 1.852 -1.824 -10.245 181 H1* A 17 H1* A 17 -0.285 0.557 -9.975 182 H8 A 17 H8 A 17 -3.719 -0.699 -10.697 183 1H6 A 17 1H6 A 17 -4.596 -1.378 -4.647 184 2H6 A 17 2H6 A 17 -5.366 -1.371 -6.217 185 H2 A 17 H2 A 17 -0.227 -0.580 -5.340 186 1H5* U 18 1H5* U 18 2.574 -3.566 -11.056 187 2H5* U 18 2H5* U 18 2.870 -5.294 -10.776 188 H4* U 18 H4* U 18 3.443 -3.777 -8.822 189 H3* U 18 H3* U 18 1.401 -6.011 -8.593 190 H2* U 18 1H2* U 18 1.168 -5.555 -6.305 191 2HO* U 18 2HO* U 18 3.740 -4.676 -6.570 192 H1* U 18 H1* U 18 1.278 -2.800 -6.497 193 H3 U 18 H3 U 18 -2.895 -3.969 -5.050 194 H5 U 18 H5 U 18 -2.974 -4.610 -9.215 195 H6 U 18 H6 U 18 -0.583 -4.202 -9.258 196 1H5* C 19 1H5* C 19 4.432 -6.359 -5.417 197 2H5* C 19 2H5* C 19 4.902 -8.065 -5.265 198 H4* C 19 H4* C 19 4.369 -7.125 -3.057 199 H3* C 19 H3* C 19 2.442 -9.151 -4.234 200 H2* C 19 1H2* C 19 1.181 -9.095 -2.246 201 2HO* C 19 2HO* C 19 3.280 -7.541 -1.079 202 H1* C 19 H1* C 19 1.267 -6.377 -1.889 203 1H4 C 19 1H4 C 19 -3.310 -7.717 -6.501 204 2H4 C 19 2H4 C 19 -4.179 -7.560 -4.991 205 H5 C 19 H5 C 19 -0.908 -7.643 -6.654 206 H6 C 19 H6 C 19 1.178 -7.395 -5.396 207 1H5* U 20 1H5* U 20 3.243 -10.573 -0.465 208 2H5* U 20 2H5* U 20 3.136 -12.340 -0.325 209 H4* U 20 H4* U 20 1.395 -11.117 1.017 210 H3* U 20 H3* U 20 0.600 -12.973 -1.249 211 H2* U 20 1H2* U 20 -1.661 -12.632 -0.737 212 2HO* U 20 2HO* U 20 -2.314 -12.304 1.248 213 H1* U 20 H1* U 20 -1.486 -9.933 -0.181 214 H3 U 20 H3 U 20 -4.041 -10.303 -3.919 215 H5 U 20 H5 U 20 -0.112 -10.994 -5.277 216 H6 U 20 H6 U 20 0.621 -10.983 -2.966 217 1H5* C 21 1H5* C 21 -1.750 -14.079 2.403 218 2H5* C 21 2H5* C 21 -1.617 -15.847 2.509 219 H4* C 21 H4* C 21 -3.958 -15.198 2.756 220 H3* C 21 H3* C 21 -3.174 -16.517 0.138 221 H2* C 21 1H2* C 21 -5.410 -16.467 -0.570 222 2HO* C 21 2HO* C 21 -6.240 -15.614 2.020 223 H1* C 21 H1* C 21 -6.028 -13.963 0.428 224 1H4 C 21 1H4 C 21 -3.038 -13.273 -5.449 225 2H4 C 21 2H4 C 21 -4.753 -13.092 -5.747 226 H5 C 21 H5 C 21 -2.126 -13.845 -3.296 227 H6 C 21 H6 C 21 -2.659 -14.373 -0.964 228 H3T C 21 H3T C 21 -4.523 -18.176 1.292
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