NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5750 | 1hwv | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 1 1H5' C 1 7.061 -27.628 5.541 2 2H5* C 1 2H5' C 1 7.228 -28.875 4.292 3 H4* C 1 H4' C 1 6.943 -27.203 2.518 4 H3* C 1 H3' C 1 6.905 -25.295 4.815 5 H1* C 1 H1' C 1 4.537 -26.245 1.729 6 1H4 C 1 1H4 C 1 -1.259 -24.850 3.873 7 2H4 C 1 2H4 C 1 -0.702 -24.666 5.528 8 H5 C 1 H5 C 1 1.695 -25.136 6.170 9 H6 C 1 H6 C 1 3.865 -25.650 5.272 10 H5T C 1 H5T C 1 8.719 -26.582 4.039 11 1H2* C 1 1H2' C 1 5.101 -24.210 3.797 12 2H2* C 1 2H2' C 1 5.831 -24.422 2.147 13 1H5* C 2 1H5' C 2 6.615 -25.336 -0.506 14 2H5* C 2 2H5' C 2 7.717 -24.110 -1.161 15 H4* C 2 H4' C 2 5.382 -23.789 -1.832 16 H3* C 2 H3' C 2 6.824 -21.591 -0.422 17 H1* C 2 H1' C 2 3.232 -22.410 -0.904 18 1H4 C 2 1H4 C 2 -0.154 -21.963 4.469 19 2H4 C 2 2H4 C 2 1.249 -21.717 5.506 20 H5 C 2 H5 C 2 3.746 -21.847 4.362 21 H6 C 2 H6 C 2 4.743 -22.050 2.602 22 1H2* C 2 1H2' C 2 5.251 -21.066 0.873 23 2H2* C 2 2H2' C 2 4.408 -20.485 -0.549 24 1H5* A 3 1H5' A 3 3.518 -19.479 -1.869 25 2H5* A 3 2H5' A 3 3.247 -21.083 -2.597 26 H4* A 3 H4' A 3 1.736 -19.944 -4.282 27 H3* A 3 H3' A 3 3.054 -17.618 -3.645 28 H1* A 3 H1' A 3 -0.467 -18.395 -2.357 29 H8 A 3 H8 A 3 2.402 -18.507 0.320 30 1H6 A 3 1H6 A 3 -1.893 -19.350 4.658 31 2H6 A 3 2H6 A 3 -0.217 -18.990 4.305 32 H2 A 3 H2 A 3 -3.975 -19.204 0.655 33 1H2* A 3 1H2' A 3 2.102 -17.220 -1.517 34 2H2* A 3 2H2' A 3 0.656 -16.668 -2.346 35 1H5* T 4 1H5' T 4 -2.814 -17.837 -4.389 36 2H5* T 4 2H5' T 4 -2.732 -16.415 -5.446 37 H4* T 4 H4' T 4 -4.297 -16.089 -3.547 38 H3* T 4 H3' T 4 -1.984 -14.247 -3.651 39 1H2* T 4 1H2' T 4 -2.326 -13.714 -1.558 40 2H2* T 4 2H2' T 4 -4.113 -13.583 -1.696 41 H1* T 4 H1' T 4 -4.541 -15.647 -0.999 42 H3 T 4 H3 T 4 -3.116 -16.279 3.177 43 1H5M T 4 H51 T 4 1.308 -16.068 0.332 44 2H5M T 4 H52 T 4 1.364 -15.537 2.029 45 3H5M T 4 H53 T 4 1.075 -14.356 0.729 46 H6 T 4 H6 T 4 -0.954 -15.262 -0.929 47 1H5* C 5 1H5' C 5 -6.497 -13.237 -2.959 48 2H5* C 5 2H5' C 5 -6.848 -11.596 -3.549 49 H4* C 5 H4' C 5 -7.790 -11.846 -1.257 50 H3* C 5 H3' C 5 -5.385 -10.102 -1.621 51 H1* C 5 H1' C 5 -6.956 -11.776 1.448 52 1H4 C 5 1H4 C 5 -1.519 -13.180 4.452 53 2H4 C 5 2H4 C 5 -0.529 -12.995 3.004 54 H5 C 5 H5 C 5 -1.562 -12.055 0.902 55 H6 C 5 H6 C 5 -3.819 -11.530 -0.129 56 1H2* C 5 1H2' C 5 -5.063 -9.904 0.444 57 2H2* C 5 2H2' C 5 -6.778 -9.782 0.929 58 1H5* +G 6 1H5' G 6 -8.906 -11.014 0.491 59 2H5* +G 6 2H5' G 6 -10.626 -10.622 0.339 60 H4* +G 6 H4' G 6 -9.989 -10.679 2.661 61 H3* +G 6 H3' G 6 -11.265 -8.430 1.422 62 H1* +G 6 H1' G 6 -9.025 -8.305 4.428 63 H8 +G 6 H8 G 6 -7.323 -6.674 1.411 64 H1 +G 6 H1 G 6 -4.316 -6.176 7.057 65 1H2 +G 6 1H2 G 6 -5.673 -7.133 8.597 66 1H2* +G 6 1H2' G 6 -9.560 -6.863 1.950 67 2H2* +G 6 2H2' G 6 -10.347 -7.016 3.573 68 1H5* C 7 1H5' C 7 -14.927 -6.625 4.015 69 2H5* C 7 2H5' C 7 -13.710 -5.611 3.242 70 H4* C 7 H4' C 7 -13.239 -7.366 5.727 71 H3* C 7 H3' C 7 -14.275 -4.721 5.338 72 H1* C 7 H1' C 7 -10.950 -6.036 6.893 73 1H4 C 7 1H4 C 7 -5.704 -3.042 4.646 74 2H4 C 7 2H4 C 7 -6.391 -2.995 3.030 75 H5 C 7 H5 C 7 -8.726 -3.789 2.574 76 H6 C 7 H6 C 7 -10.660 -4.791 3.625 77 1H2* C 7 1H2' C 7 -11.981 -3.900 5.071 78 2H2* C 7 2H2' C 7 -11.942 -3.968 6.868 79 1H5* T 8 1H5' T 8 -11.109 -6.691 9.979 80 2H5* T 8 2H5' T 8 -12.479 -6.263 11.028 81 H4* T 8 H4' T 8 -10.412 -5.163 11.896 82 H3* T 8 H3' T 8 -12.639 -3.606 11.257 83 1H2* T 8 1H2' T 8 -11.258 -2.187 10.084 84 2H2* T 8 2H2' T 8 -10.488 -1.707 11.614 85 H1* T 8 H1' T 8 -8.830 -3.106 11.597 86 H3 T 8 H3 T 8 -6.277 -0.689 8.610 87 1H5M T 8 H51 T 8 -11.018 -1.012 6.504 88 2H5M T 8 H52 T 8 -10.299 -2.471 5.784 89 3H5M T 8 H53 T 8 -9.616 -0.850 5.415 90 H6 T 8 H6 T 8 -10.533 -2.774 8.520 91 1H5* A 9 1H5' A 9 -10.580 -0.381 13.361 92 2H5* A 9 2H5' A 9 -9.382 -1.723 13.497 93 H4* A 9 H4' A 9 -8.707 -0.467 15.752 94 H3* A 9 H3' A 9 -11.210 0.550 15.495 95 H1* A 9 H1' A 9 -8.123 2.391 14.154 96 H8 A 9 H8 A 9 -10.515 0.924 11.335 97 1H6 A 9 1H6 A 9 -6.245 2.407 7.137 98 2H6 A 9 2H6 A 9 -7.820 1.707 7.413 99 H2 A 9 H2 A 9 -4.487 3.154 11.203 100 1H2* A 9 1H2' A 9 -10.802 1.545 13.350 101 2H2* A 9 2H2' A 9 -10.255 2.885 14.339 102 1H5* C 10 1H5' C 10 -8.179 3.025 17.033 103 2H5* C 10 2H5' C 10 -8.311 4.490 18.030 104 H4* C 10 H4' C 10 -6.862 4.705 15.942 105 H3* C 10 H3' C 10 -9.148 6.483 16.524 106 H1* C 10 H1' C 10 -6.801 5.527 13.662 107 1H4 C 10 1H4 C 10 -9.081 4.341 8.013 108 2H4 C 10 2H4 C 10 -10.707 3.962 8.571 109 H5 C 10 H5 C 10 -11.248 4.097 11.172 110 H6 C 10 H6 C 10 -10.159 4.788 13.276 111 1H2* C 10 1H2' C 10 -9.573 6.308 14.196 112 2H2* C 10 2H2' C 10 -8.072 7.324 13.924 113 1H5* C 11 1H5' C 11 -3.740 8.228 13.611 114 2H5* C 11 2H5' C 11 -4.278 9.207 14.990 115 H4* C 11 H4' C 11 -4.778 10.519 12.961 116 H3* C 11 H3' C 11 -7.092 9.368 14.323 117 H1* C 11 H1' C 11 -6.324 10.420 10.599 118 1H4 C 11 1H4 C 11 -10.695 7.062 7.692 119 2H4 C 11 2H4 C 11 -11.575 6.717 9.178 120 H5 C 11 H5 C 11 -10.827 7.602 11.337 121 H6 C 11 H6 C 11 -8.957 8.822 12.468 122 H3T C 11 H3T C 11 -7.037 11.248 15.337 123 1H2* C 11 1H2' C 11 -8.289 10.780 12.597 124 2H2* C 11 2H2' C 11 -6.737 11.679 12.437 125 1H5* G 12 1H5' G 12 -8.291 10.217 -2.724 126 2H5* G 12 2H5' G 12 -6.908 9.320 -3.397 127 H4* G 12 H4' G 12 -6.345 10.431 -1.254 128 H3* G 12 H3' G 12 -5.845 7.678 -1.782 129 H1* G 12 H1' G 12 -6.587 9.423 1.439 130 H8 G 12 H8 G 12 -9.862 7.410 0.708 131 H1 G 12 H1 G 12 -8.393 8.466 6.849 132 1H2 G 12 1H2 G 12 -6.429 9.688 6.891 133 2H2 G 12 2H2 G 12 -5.506 9.861 5.388 134 H5T G 12 H5T G 12 -9.039 8.230 -1.877 135 1H2* G 12 1H2' G 12 -7.467 7.048 -0.162 136 2H2* G 12 2H2' G 12 -6.012 7.156 0.898 137 1H5* G 13 1H5' G 13 -4.191 11.849 2.684 138 2H5* G 13 2H5' G 13 -2.719 11.530 1.767 139 H4* G 13 H4' G 13 -2.437 11.039 4.325 140 H3* G 13 H3' G 13 -1.524 9.256 2.330 141 H1* G 13 H1' G 13 -2.641 8.705 5.732 142 H8 G 13 H8 G 13 -5.024 7.147 3.155 143 H1 G 13 H1 G 13 -6.527 5.489 9.129 144 1H2 G 13 1H2 G 13 -5.109 6.589 10.554 145 2H2 G 13 2H2 G 13 -3.876 7.692 9.953 146 1H2* G 13 1H2' G 13 -2.900 7.580 3.162 147 2H2* G 13 2H2' G 13 -1.707 7.542 4.499 148 1H5* T 14 1H5' T 14 0.177 9.246 7.018 149 2H5* T 14 2H5' T 14 1.913 8.939 6.810 150 H4* T 14 H4' T 14 1.101 7.408 8.702 151 H3* T 14 H3' T 14 2.308 6.455 6.394 152 1H2* T 14 1H2' T 14 0.738 4.942 6.097 153 2H2* T 14 2H2' T 14 1.335 4.201 7.676 154 H1* T 14 H1' T 14 -0.177 5.097 8.950 155 H3 T 14 H3 T 14 -4.244 3.127 8.229 156 1H5M T 14 H51 T 14 -3.062 5.542 3.700 157 2H5M T 14 H52 T 14 -4.055 4.073 3.619 158 3H5M T 14 H53 T 14 -2.265 3.996 3.456 159 H6 T 14 H6 T 14 -1.128 5.392 5.401 160 1H5* A 15 1H5' A 15 1.983 4.934 10.693 161 2H5* A 15 2H5' A 15 3.326 4.025 11.417 162 H4* A 15 H4' A 15 1.088 3.021 12.011 163 H3* A 15 H3' A 15 3.170 1.489 10.667 164 H1* A 15 H1' A 15 -0.501 1.092 10.995 165 H8 A 15 H8 A 15 0.607 1.474 7.377 166 1H6 A 15 1H6 A 15 -5.349 -0.096 6.152 167 2H6 A 15 2H6 A 15 -3.804 0.200 5.372 168 H2 A 15 H2 A 15 -4.692 0.086 10.549 169 1H2* A 15 1H2' A 15 1.674 0.512 9.191 170 2H2* A 15 2H2' A 15 0.830 -0.258 10.514 171 1H5* G 16 1H5' G 16 -1.608 -0.450 14.123 172 2H5* G 16 2H5' G 16 -0.279 -1.334 14.889 173 H4* G 16 H4' G 16 -1.966 -2.906 14.186 174 H3* G 16 H3' G 16 0.736 -3.120 13.327 175 H1* G 16 H1' G 16 -2.229 -4.345 11.705 176 H8 G 16 H8 G 16 -0.555 -2.024 9.159 177 H1 G 16 H1 G 16 -6.397 -3.848 7.312 178 1H2 G 16 1H2 G 16 -7.418 -4.934 8.979 179 2H2 G 16 2H2 G 16 -6.649 -5.181 10.542 180 1H2* G 16 1H2' G 16 0.164 -2.663 11.183 181 2H2* G 16 2H2' G 16 -0.007 -4.452 11.154 182 1H5* C 17 1H5' C 17 -1.986 -6.280 15.265 183 2H5* C 17 2H5' C 17 -1.597 -7.905 15.863 184 H4* C 17 H4' C 17 -3.234 -8.104 14.143 185 H3* C 17 H3' C 17 -0.837 -9.441 14.069 186 H1* C 17 H1' C 17 -3.208 -8.298 11.372 187 1H4 C 17 1H4 C 17 -2.214 -4.950 6.133 188 2H4 C 17 2H4 C 17 -0.513 -4.741 6.500 189 H5 C 17 H5 C 17 0.537 -5.740 8.441 190 H6 C 17 H6 C 17 0.095 -6.972 10.583 191 1H2* C 17 1H2' C 17 -0.281 -8.233 12.196 192 2H2* C 17 2H2' C 17 -1.098 -9.690 11.352 193 1H5* G 18 1H5' G 18 -4.955 -11.587 13.776 194 2H5* G 18 2H5' G 18 -4.495 -12.825 14.955 195 H4* G 18 H4' G 18 -6.646 -13.209 13.817 196 H3* G 18 H3' G 18 -4.867 -15.191 14.364 197 H1* G 18 H1' G 18 -6.380 -14.850 10.628 198 H8 G 18 H8 G 18 -2.496 -13.958 11.237 199 H1 G 18 H1 G 18 -4.435 -13.489 5.200 200 1H2 G 18 1H2 G 18 -6.641 -13.627 5.074 201 2H2 G 18 2H2 G 18 -7.620 -14.220 6.432 202 1H2* G 18 1H2' G 18 -3.964 -15.607 12.250 203 2H2* G 18 2H2' G 18 -5.457 -16.506 11.954 204 1H5* A 19 1H5' A 19 -9.531 -14.970 10.763 205 2H5* A 19 2H5' A 19 -10.281 -16.333 11.623 206 H4* A 19 H4' A 19 -10.170 -16.784 9.270 207 H3* A 19 H3' A 19 -8.494 -18.471 11.091 208 H1* A 19 H1' A 19 -8.177 -17.531 7.249 209 H8 A 19 H8 A 19 -5.375 -18.212 9.834 210 1H6 A 19 1H6 A 19 -1.624 -16.654 5.125 211 2H6 A 19 2H6 A 19 -1.694 -17.253 6.772 212 H2 A 19 H2 A 19 -5.887 -16.149 3.807 213 1H2* A 19 1H2' A 19 -7.356 -19.380 9.455 214 2H2* A 19 2H2' A 19 -8.758 -19.458 8.372 215 1H5* T 20 1H5' T 20 -10.759 -17.601 6.859 216 2H5* T 20 2H5' T 20 -12.164 -18.628 6.480 217 H4* T 20 H4' T 20 -10.680 -18.531 4.553 218 H3* T 20 H3' T 20 -11.253 -21.004 5.926 219 1H2* T 20 1H2' T 20 -9.046 -21.814 5.656 220 2H2* T 20 2H2' T 20 -9.569 -21.825 3.959 221 H1* T 20 H1' T 20 -8.535 -19.794 3.449 222 H3 T 20 H3 T 20 -4.068 -19.438 3.695 223 1H5M T 20 H51 T 20 -5.510 -22.155 7.948 224 2H5M T 20 H52 T 20 -5.665 -20.530 8.612 225 3H5M T 20 H53 T 20 -4.058 -21.123 8.114 226 H6 T 20 H6 T 20 -7.470 -20.831 6.758 227 1H5* G 21 1H5' G 21 -9.716 -19.603 0.160 228 2H5* G 21 2H5' G 21 -10.873 -20.879 -0.257 229 H4* G 21 H4' G 21 -8.781 -21.327 -1.379 230 H3* G 21 H3' G 21 -9.987 -23.229 0.193 231 H1* G 21 H1' G 21 -6.432 -22.918 -0.475 232 H8 G 21 H8 G 21 -6.964 -22.331 3.108 233 H1 G 21 H1 G 21 -0.794 -22.232 1.529 234 1H2 G 21 1H2 G 21 -0.638 -22.264 -0.719 235 2H2 G 21 2H2 G 21 -2.070 -22.295 -1.758 236 1H2* G 21 1H2' G 21 -8.232 -23.152 1.765 237 2H2* G 21 2H2' G 21 -7.451 -24.312 0.659 238 1H5* G 22 1H5' G 22 -7.342 -23.625 -3.762 239 2H5* G 22 2H5' G 22 -8.116 -24.977 -4.617 240 H4* G 22 H4' G 22 -5.863 -24.454 -5.537 241 H3* G 22 H3' G 22 -6.607 -27.031 -5.270 242 H1* G 22 H1' G 22 -3.227 -25.928 -3.777 243 H8 G 22 H8 G 22 -6.093 -25.575 -1.207 244 H1 G 22 H1 G 22 -0.219 -25.312 1.307 245 1H2 G 22 1H2 G 22 1.298 -25.480 -0.379 246 2H2 G 22 2H2 G 22 0.779 -25.612 -2.053 247 H3T G 22 H3T G 22 -4.158 -25.755 -5.797 248 1H2* G 22 1H2' G 22 -5.867 -27.017 -2.857 249 2H2* G 22 2H2' G 22 -4.560 -27.838 -3.788 250 1H1 BPI 25 H1 BPH 1 -7.095 -9.583 7.689 251 H2 BPI 25 H2 BPH 1 -7.845 -7.435 9.873 252 2HO BPI 25 HO2 BPH 1 -8.667 -7.348 7.430 253 H3 BPI 25 H3 BPH 1 -9.200 -9.162 10.863 254 3HO BPI 25 HO3 BPH 1 -9.532 -10.149 8.604 255 H4 BPI 25 H4 BPH 1 -7.466 -10.149 11.849 256 4HO BPI 25 HO4 BPH 1 -6.420 -8.353 12.432 257 H5 BPI 25 H5 BPH 1 -5.285 -11.118 12.001 258 H6 BPI 25 H6 BPH 1 -3.177 -11.744 10.968 259 H7 BPI 25 H7 BPH 1 -1.456 -11.357 9.202 260 H8 BPI 25 H8 BPH 1 -0.757 -10.044 7.282 261 H9 BPI 25 H9 BPH 1 -1.389 -9.402 4.911 262 H10 BPI 25 H10 BPH 1 -3.181 -9.155 3.177 263 H11 BPI 25 H11 BPH 1 -5.658 -9.584 3.965 264 H12 BPI 25 H12 BPH 1 -6.162 -10.086 6.047 Start of MODEL 2 1 1H5* C 1 1H5' C 1 8.226 -28.512 3.152 2 2H5* C 1 2H5' C 1 6.764 -28.552 4.139 3 H4* C 1 H4' C 1 7.074 -27.438 1.315 4 H3* C 1 H3' C 1 6.942 -26.065 3.952 5 H1* C 1 H1' C 1 4.865 -26.079 0.513 6 1H4 C 1 1H4 C 1 -1.072 -24.841 2.297 7 2H4 C 1 2H4 C 1 -0.708 -25.040 4.005 8 H5 C 1 H5 C 1 1.580 -25.864 4.765 9 H6 C 1 H6 C 1 3.795 -26.309 3.999 10 H5T C 1 H5T C 1 5.837 -29.753 2.309 11 1H2* C 1 1H2' C 1 5.265 -24.677 3.091 12 2H2* C 1 2H2' C 1 6.148 -24.514 1.526 13 1H5* C 2 1H5' C 2 7.765 -24.566 -0.166 14 2H5* C 2 2H5' C 2 8.835 -23.169 -0.435 15 H4* C 2 H4' C 2 6.743 -23.044 -1.776 16 H3* C 2 H3' C 2 7.608 -20.940 0.077 17 H1* C 2 H1' C 2 4.176 -21.856 -1.138 18 1H4 C 2 1H4 C 2 0.118 -22.309 3.792 19 2H4 C 2 2H4 C 2 1.377 -22.331 5.014 20 H5 C 2 H5 C 2 3.998 -22.390 4.162 21 H6 C 2 H6 C 2 5.212 -22.258 2.487 22 1H2* C 2 1H2' C 2 5.808 -20.758 1.187 23 2H2* C 2 2H2' C 2 5.186 -19.955 -0.278 24 1H5* A 3 1H5' A 3 3.156 -21.114 -3.672 25 2H5* A 3 2H5' A 3 3.728 -19.724 -4.609 26 H4* A 3 H4' A 3 1.478 -19.516 -4.028 27 H3* A 3 H3' A 3 3.356 -17.475 -3.326 28 H1* A 3 H1' A 3 0.016 -18.319 -1.835 29 H8 A 3 H8 A 3 2.816 -18.596 0.820 30 1H6 A 3 1H6 A 3 -1.819 -19.134 4.923 31 2H6 A 3 2H6 A 3 -0.086 -18.929 4.739 32 H2 A 3 H2 A 3 -3.587 -18.889 0.854 33 1H2* A 3 1H2' A 3 2.679 -17.291 -1.033 34 2H2* A 3 2H2' A 3 1.185 -16.635 -1.659 35 1H5* T 4 1H5' T 4 -1.122 -17.063 -4.797 36 2H5* T 4 2H5' T 4 -1.897 -15.805 -5.768 37 H4* T 4 H4' T 4 -3.226 -16.193 -3.866 38 H3* T 4 H3' T 4 -1.826 -13.586 -3.792 39 1H2* T 4 1H2' T 4 -1.942 -13.540 -1.636 40 2H2* T 4 2H2' T 4 -3.753 -13.596 -1.643 41 H1* T 4 H1' T 4 -3.858 -15.785 -1.398 42 H3 T 4 H3 T 4 -2.850 -16.216 2.938 43 1H5M T 4 H51 T 4 1.632 -14.973 2.195 44 2H5M T 4 H52 T 4 1.367 -13.896 0.799 45 3H5M T 4 H53 T 4 1.784 -15.599 0.534 46 H6 T 4 H6 T 4 -0.444 -14.918 -0.967 47 1H5* C 5 1H5' C 5 -6.505 -11.866 -3.552 48 2H5* C 5 2H5' C 5 -4.921 -12.087 -2.785 49 H4* C 5 H4' C 5 -7.604 -12.119 -1.320 50 H3* C 5 H3' C 5 -5.269 -10.229 -1.525 51 H1* C 5 H1' C 5 -6.914 -12.003 1.440 52 1H4 C 5 1H4 C 5 -1.511 -13.203 4.617 53 2H4 C 5 2H4 C 5 -0.482 -12.933 3.210 54 H5 C 5 H5 C 5 -1.492 -12.053 1.059 55 H6 C 5 H6 C 5 -3.722 -11.619 -0.029 56 1H2* C 5 1H2' C 5 -5.048 -10.052 0.530 57 2H2* C 5 2H2' C 5 -6.773 -9.984 0.963 58 1H5* +G 6 1H5' G 6 -9.030 -11.233 0.364 59 2H5* +G 6 2H5' G 6 -10.724 -10.779 0.100 60 H4* +G 6 H4' G 6 -10.209 -10.809 2.437 61 H3* +G 6 H3' G 6 -11.051 -8.319 1.054 62 H1* +G 6 H1' G 6 -9.129 -8.753 4.330 63 H8 +G 6 H8 G 6 -7.453 -6.918 1.394 64 H1 +G 6 H1 G 6 -4.527 -6.439 7.071 65 1H2 +G 6 1H2 G 6 -5.880 -7.387 8.585 66 1H2* +G 6 1H2' G 6 -9.657 -6.930 2.142 67 2H2* +G 6 2H2' G 6 -10.478 -7.333 3.681 68 1H5* C 7 1H5' C 7 -12.259 -8.975 5.375 69 2H5* C 7 2H5' C 7 -13.868 -8.331 5.770 70 H4* C 7 H4' C 7 -12.219 -7.683 7.470 71 H3* C 7 H3' C 7 -13.835 -5.794 5.979 72 H1* C 7 H1' C 7 -10.426 -5.625 7.887 73 1H4 C 7 1H4 C 7 -5.420 -3.055 5.033 74 2H4 C 7 2H4 C 7 -6.179 -3.107 3.443 75 H5 C 7 H5 C 7 -8.439 -4.162 3.135 76 H6 C 7 H6 C 7 -10.280 -5.154 4.317 77 1H2* C 7 1H2' C 7 -11.826 -4.431 5.535 78 2H2* C 7 2H2' C 7 -11.915 -4.047 7.278 79 1H5* T 8 1H5' T 8 -12.188 -5.515 10.438 80 2H5* T 8 2H5' T 8 -13.457 -4.734 11.413 81 H4* T 8 H4' T 8 -11.203 -4.145 12.347 82 H3* T 8 H3' T 8 -13.085 -2.247 11.623 83 1H2* T 8 1H2' T 8 -11.583 -1.326 10.133 84 2H2* T 8 2H2' T 8 -10.733 -0.625 11.546 85 H1* T 8 H1' T 8 -9.275 -2.210 11.849 86 H3 T 8 H3 T 8 -6.486 -0.584 8.479 87 1H5M T 8 H51 T 8 -9.905 -1.146 5.308 88 2H5M T 8 H52 T 8 -11.289 -1.021 6.426 89 3H5M T 8 H53 T 8 -10.657 -2.616 6.008 90 H6 T 8 H6 T 8 -10.912 -2.313 8.746 91 1H5* A 9 1H5' A 9 -10.631 1.043 12.933 92 2H5* A 9 2H5' A 9 -9.496 -0.320 13.292 93 H4* A 9 H4' A 9 -8.652 1.337 15.214 94 H3* A 9 H3' A 9 -11.097 2.442 14.812 95 H1* A 9 H1' A 9 -7.967 3.762 13.036 96 H8 A 9 H8 A 9 -10.480 1.853 10.656 97 1H6 A 9 1H6 A 9 -6.218 2.156 6.199 98 2H6 A 9 2H6 A 9 -7.806 1.581 6.634 99 H2 A 9 H2 A 9 -4.379 3.697 10.004 100 1H2* A 9 1H2' A 9 -10.714 2.945 12.488 101 2H2* A 9 2H2' A 9 -9.991 4.418 13.168 102 1H5* C 10 1H5' C 10 -7.927 5.198 15.775 103 2H5* C 10 2H5' C 10 -8.123 6.871 16.337 104 H4* C 10 H4' C 10 -6.834 6.679 14.172 105 H3* C 10 H3' C 10 -9.340 8.206 14.372 106 H1* C 10 H1' C 10 -6.908 6.689 11.766 107 1H4 C 10 1H4 C 10 -9.178 4.205 6.613 108 2H4 C 10 2H4 C 10 -10.817 4.010 7.225 109 H5 C 10 H5 C 10 -11.379 4.806 9.719 110 H6 C 10 H6 C 10 -10.322 5.896 11.594 111 1H2* C 10 1H2' C 10 -9.702 7.557 12.126 112 2H2* C 10 2H2' C 10 -8.196 8.467 11.641 113 1H5* C 11 1H5' C 11 -3.872 8.645 11.106 114 2H5* C 11 2H5' C 11 -4.048 10.049 12.165 115 H4* C 11 H4' C 11 -4.645 10.898 10.004 116 H3* C 11 H3' C 11 -7.028 10.362 11.605 117 H1* C 11 H1' C 11 -6.290 10.494 7.762 118 1H4 C 11 1H4 C 11 -10.888 6.818 5.768 119 2H4 C 11 2H4 C 11 -11.825 6.952 7.255 120 H5 C 11 H5 C 11 -11.011 8.318 9.132 121 H6 C 11 H6 C 11 -9.034 9.680 9.934 122 H3T C 11 H3T C 11 -5.739 11.718 12.575 123 1H2* C 11 1H2' C 11 -8.112 11.516 9.663 124 2H2* C 11 2H2' C 11 -6.475 12.174 9.281 125 1H5* G 12 1H5' G 12 -8.251 7.529 -5.101 126 2H5* G 12 2H5' G 12 -6.851 6.533 -5.549 127 H4* G 12 H4' G 12 -6.335 8.079 -3.681 128 H3* G 12 H3' G 12 -5.785 5.285 -3.608 129 H1* G 12 H1' G 12 -6.591 7.641 -0.841 130 H8 G 12 H8 G 12 -9.842 5.500 -1.162 131 H1 G 12 H1 G 12 -8.447 7.876 4.621 132 1H2 G 12 1H2 G 12 -6.472 9.074 4.400 133 2H2 G 12 2H2 G 12 -5.545 8.928 2.899 134 H5T G 12 H5T G 12 -8.994 5.761 -3.857 135 1H2* G 12 1H2' G 12 -7.431 4.976 -1.917 136 2H2* G 12 2H2' G 12 -5.994 5.317 -0.886 137 1H5* G 13 1H5' G 13 -4.198 10.315 -0.076 138 2H5* G 13 2H5' G 13 -2.722 9.849 -0.928 139 H4* G 13 H4' G 13 -2.429 9.886 1.678 140 H3* G 13 H3' G 13 -1.495 7.734 0.091 141 H1* G 13 H1' G 13 -2.610 7.888 3.532 142 H8 G 13 H8 G 13 -4.992 5.846 1.318 143 H1 G 13 H1 G 13 -6.589 5.500 7.487 144 1H2 G 13 1H2 G 13 -5.150 6.866 8.663 145 2H2 G 13 2H2 G 13 -3.859 7.742 7.853 146 1H2* G 13 1H2' G 13 -2.865 6.258 1.245 147 2H2* G 13 2H2' G 13 -1.674 6.493 2.566 148 1H5* T 14 1H5' T 14 0.599 8.679 4.604 149 2H5* T 14 2H5' T 14 2.295 8.202 4.360 150 H4* T 14 H4' T 14 1.431 7.165 6.539 151 H3* T 14 H3' T 14 2.388 5.637 4.314 152 1H2* T 14 1H2' T 14 0.875 4.097 4.538 153 2H2* T 14 2H2' T 14 1.503 3.777 6.222 154 H1* T 14 H1' T 14 0.049 5.033 7.268 155 H3 T 14 H3 T 14 -4.114 3.148 7.150 156 1H5M T 14 H51 T 14 -2.305 2.786 2.227 157 2H5M T 14 H52 T 14 -3.082 4.364 2.150 158 3H5M T 14 H53 T 14 -4.077 2.937 2.459 159 H6 T 14 H6 T 14 -1.006 4.530 3.786 160 1H5* A 15 1H5' A 15 1.447 5.407 9.926 161 2H5* A 15 2H5' A 15 2.975 4.737 10.526 162 H4* A 15 H4' A 15 0.999 3.430 11.309 163 H3* A 15 H3' A 15 3.137 2.153 9.763 164 H1* A 15 H1' A 15 -0.458 1.315 10.517 165 H8 A 15 H8 A 15 0.441 1.195 6.812 166 1H6 A 15 1H6 A 15 -5.553 -0.431 6.078 167 2H6 A 15 2H6 A 15 -4.029 -0.203 5.238 168 H2 A 15 H2 A 15 -4.722 0.537 10.417 169 1H2* A 15 1H2' A 15 1.686 0.743 8.668 170 2H2* A 15 2H2' A 15 1.035 0.104 10.149 171 1H5* G 16 1H5' G 16 0.302 0.209 13.504 172 2H5* G 16 2H5' G 16 1.479 -0.863 14.289 173 H4* G 16 H4' G 16 -0.644 -2.013 14.242 174 H3* G 16 H3' G 16 1.701 -3.036 13.301 175 H1* G 16 H1' G 16 -1.605 -3.803 12.164 176 H8 G 16 H8 G 16 0.036 -2.089 9.149 177 H1 G 16 H1 G 16 -5.983 -3.873 7.881 178 1H2 G 16 1H2 G 16 -6.969 -4.579 9.724 179 2H2 G 16 2H2 G 16 -6.070 -4.797 11.229 180 1H2* G 16 1H2' G 16 0.920 -2.792 10.978 181 2H2* G 16 2H2' G 16 0.401 -4.482 11.287 182 1H5* C 17 1H5' C 17 -1.841 -5.827 14.870 183 2H5* C 17 2H5' C 17 -1.211 -7.338 15.573 184 H4* C 17 H4' C 17 -3.468 -7.662 14.610 185 H3* C 17 H3' C 17 -1.478 -9.366 14.378 186 H1* C 17 H1' C 17 -3.714 -8.390 11.556 187 1H4 C 17 1H4 C 17 -2.445 -5.170 6.242 188 2H4 C 17 2H4 C 17 -0.746 -5.013 6.634 189 H5 C 17 H5 C 17 0.222 -6.018 8.628 190 H6 C 17 H6 C 17 -0.317 -7.189 10.769 191 1H2* C 17 1H2' C 17 -0.805 -8.298 12.462 192 2H2* C 17 2H2' C 17 -1.649 -9.788 11.698 193 1H5* G 18 1H5' G 18 -4.822 -13.950 15.060 194 2H5* G 18 2H5' G 18 -3.889 -14.125 13.564 195 H4* G 18 H4' G 18 -6.866 -13.569 13.756 196 H3* G 18 H3' G 18 -5.910 -16.042 14.145 197 H1* G 18 H1' G 18 -6.684 -14.987 10.474 198 H8 G 18 H8 G 18 -2.857 -14.188 11.336 199 H1 G 18 H1 G 18 -4.436 -13.747 5.182 200 1H2 G 18 1H2 G 18 -6.647 -13.968 4.957 201 2H2 G 18 2H2 G 18 -7.632 -14.666 6.261 202 1H2* G 18 1H2' G 18 -4.430 -15.933 12.261 203 2H2* G 18 2H2' G 18 -5.751 -16.885 11.539 204 1H5* A 19 1H5' A 19 -9.542 -15.898 10.604 205 2H5* A 19 2H5' A 19 -10.489 -17.331 11.062 206 H4* A 19 H4' A 19 -10.377 -17.260 8.633 207 H3* A 19 H3' A 19 -9.147 -19.431 10.109 208 H1* A 19 H1' A 19 -8.333 -17.828 6.543 209 H8 A 19 H8 A 19 -5.707 -18.466 9.313 210 1H6 A 19 1H6 A 19 -1.592 -16.587 5.027 211 2H6 A 19 2H6 A 19 -1.794 -17.159 6.672 212 H2 A 19 H2 A 19 -5.734 -16.319 3.297 213 1H2* A 19 1H2' A 19 -7.501 -19.771 8.691 214 2H2* A 19 2H2' A 19 -8.652 -19.935 7.354 215 1H5* T 20 1H5' T 20 -10.826 -18.799 6.319 216 2H5* T 20 2H5' T 20 -12.108 -19.872 5.680 217 H4* T 20 H4' T 20 -10.730 -18.878 3.828 218 H3* T 20 H3' T 20 -11.205 -21.650 4.213 219 1H2* T 20 1H2' T 20 -8.893 -22.245 4.170 220 2H2* T 20 2H2' T 20 -9.202 -21.908 2.460 221 H1* T 20 H1' T 20 -8.312 -19.730 2.543 222 H3 T 20 H3 T 20 -3.875 -19.489 3.563 223 1H5M T 20 H51 T 20 -4.487 -21.894 7.531 224 2H5M T 20 H52 T 20 -5.894 -22.857 7.008 225 3H5M T 20 H53 T 20 -6.146 -21.345 7.899 226 H6 T 20 H6 T 20 -7.673 -21.372 5.729 227 1H5* G 21 1H5' G 21 -8.973 -18.660 -0.684 228 2H5* G 21 2H5' G 21 -10.043 -19.775 -1.548 229 H4* G 21 H4' G 21 -7.842 -19.912 -2.514 230 H3* G 21 H3' G 21 -9.164 -22.162 -1.651 231 H1* G 21 H1' G 21 -5.580 -21.724 -1.815 232 H8 G 21 H8 G 21 -6.512 -21.945 1.751 233 H1 G 21 H1 G 21 -0.197 -21.870 0.869 234 1H2 G 21 1H2 G 21 0.207 -21.357 -1.328 235 2H2 G 21 2H2 G 21 -1.122 -21.229 -2.475 236 1H2* G 21 1H2' G 21 -7.578 -22.455 0.104 237 2H2* G 21 2H2' G 21 -6.685 -23.343 -1.168 238 1H5* G 22 1H5' G 22 -6.259 -21.480 -5.314 239 2H5* G 22 2H5' G 22 -6.875 -22.536 -6.603 240 H4* G 22 H4' G 22 -4.565 -21.725 -7.062 241 H3* G 22 H3' G 22 -5.192 -24.276 -7.677 242 H1* G 22 H1' G 22 -2.066 -23.662 -5.518 243 H8 G 22 H8 G 22 -5.214 -24.023 -3.314 244 H1 G 22 H1 G 22 0.313 -24.719 -0.173 245 1H2 G 22 1H2 G 22 2.013 -24.463 -1.641 246 2H2 G 22 2H2 G 22 1.720 -24.024 -3.319 247 H3T G 22 H3T G 22 -2.767 -22.869 -7.465 248 1H2* G 22 1H2' G 22 -4.757 -24.950 -5.276 249 2H2* G 22 2H2' G 22 -3.327 -25.485 -6.237 250 1H1 BPI 25 H1 BPH 1 -7.331 -9.768 7.685 251 H2 BPI 25 H2 BPH 1 -7.975 -7.667 9.964 252 2HO BPI 25 HO2 BPH 1 -8.955 -6.925 8.138 253 H3 BPI 25 H3 BPH 1 -9.551 -9.326 10.787 254 3HO BPI 25 HO3 BPH 1 -9.844 -10.091 8.431 255 H4 BPI 25 H4 BPH 1 -7.922 -10.446 11.815 256 4HO BPI 25 HO4 BPH 1 -6.920 -8.659 12.541 257 H5 BPI 25 H5 BPH 1 -5.717 -11.348 12.123 258 H6 BPI 25 H6 BPH 1 -3.542 -11.968 11.211 259 H7 BPI 25 H7 BPH 1 -1.726 -11.528 9.553 260 H8 BPI 25 H8 BPH 1 -0.947 -10.238 7.653 261 H9 BPI 25 H9 BPH 1 -1.475 -9.580 5.238 262 H10 BPI 25 H10 BPH 1 -3.190 -9.336 3.423 263 H11 BPI 25 H11 BPH 1 -5.676 -9.864 4.058 264 H12 BPI 25 H12 BPH 1 -6.278 -10.390 6.123 Start of MODEL 3 1 1H5* C 1 1H5' C 1 8.276 -27.932 3.491 2 2H5* C 1 2H5' C 1 9.464 -26.685 3.894 3 H4* C 1 H4' C 1 8.233 -26.186 1.804 4 H3* C 1 H3' C 1 7.998 -24.345 4.162 5 H1* C 1 H1' C 1 5.880 -25.181 0.859 6 1H4 C 1 1H4 C 1 -0.130 -24.414 2.797 7 2H4 C 1 2H4 C 1 0.333 -24.311 4.489 8 H5 C 1 H5 C 1 2.708 -24.795 5.205 9 H6 C 1 H6 C 1 4.944 -25.063 4.375 10 H5T C 1 H5T C 1 6.860 -26.930 5.012 11 1H2* C 1 1H2' C 1 6.131 -23.333 3.190 12 2H2* C 1 2H2' C 1 6.958 -23.285 1.587 13 1H5* C 2 1H5' C 2 7.605 -24.063 -1.169 14 2H5* C 2 2H5' C 2 8.676 -22.757 -1.717 15 H4* C 2 H4' C 2 6.381 -22.415 -2.373 16 H3* C 2 H3' C 2 7.691 -20.424 -0.563 17 H1* C 2 H1' C 2 4.114 -21.250 -1.446 18 1H4 C 2 1H4 C 2 0.549 -21.516 3.858 19 2H4 C 2 2H4 C 2 1.924 -21.300 4.933 20 H5 C 2 H5 C 2 4.406 -21.222 3.885 21 H6 C 2 H6 C 2 5.489 -21.151 2.099 22 1H2* C 2 1H2' C 2 5.965 -19.858 0.523 23 2H2* C 2 2H2' C 2 5.279 -19.276 -0.992 24 1H5* A 3 1H5' A 3 3.312 -20.560 -4.360 25 2H5* A 3 2H5' A 3 3.893 -19.177 -5.304 26 H4* A 3 H4' A 3 1.652 -18.934 -4.730 27 H3* A 3 H3' A 3 3.622 -16.984 -3.768 28 H1* A 3 H1' A 3 0.066 -17.835 -2.577 29 H8 A 3 H8 A 3 2.931 -17.826 0.023 30 1H6 A 3 1H6 A 3 -1.366 -19.074 4.293 31 2H6 A 3 2H6 A 3 0.295 -18.600 4.003 32 H2 A 3 H2 A 3 -3.379 -18.973 0.279 33 1H2* A 3 1H2' A 3 2.566 -16.531 -1.773 34 2H2* A 3 2H2' A 3 1.083 -16.061 -2.600 35 1H5* T 4 1H5' T 4 -0.681 -16.483 -4.848 36 2H5* T 4 2H5' T 4 -1.145 -15.015 -5.731 37 H4* T 4 H4' T 4 -2.919 -15.784 -4.164 38 H3* T 4 H3' T 4 -1.688 -13.112 -3.820 39 1H2* T 4 1H2' T 4 -1.922 -13.184 -1.669 40 2H2* T 4 2H2' T 4 -3.722 -13.325 -1.793 41 H1* T 4 H1' T 4 -3.763 -15.566 -1.655 42 H3 T 4 H3 T 4 -2.680 -16.133 2.749 43 1H5M T 4 H51 T 4 1.795 -14.845 1.930 44 2H5M T 4 H52 T 4 1.875 -15.330 0.226 45 3H5M T 4 H53 T 4 1.475 -13.660 0.632 46 H6 T 4 H6 T 4 -0.394 -14.621 -1.144 47 1H5* C 5 1H5' C 5 -7.219 -14.448 -2.150 48 2H5* C 5 2H5' C 5 -7.634 -12.950 -3.008 49 H4* C 5 H4' C 5 -8.127 -12.707 -0.579 50 H3* C 5 H3' C 5 -5.870 -10.984 -1.535 51 H1* C 5 H1' C 5 -7.078 -12.377 1.851 52 1H4 C 5 1H4 C 5 -1.449 -13.157 4.637 53 2H4 C 5 2H4 C 5 -0.516 -12.714 3.208 54 H5 C 5 H5 C 5 -1.711 -11.970 1.117 55 H6 C 5 H6 C 5 -4.020 -11.750 0.124 56 1H2* C 5 1H2' C 5 -5.547 -10.365 0.511 57 2H2* C 5 2H2' C 5 -7.250 -10.461 1.023 58 1H5* +G 6 1H5' G 6 -9.682 -10.970 -0.169 59 2H5* +G 6 2H5' G 6 -11.305 -10.298 -0.331 60 H4* +G 6 H4' G 6 -10.748 -10.667 1.960 61 H3* +G 6 H3' G 6 -11.391 -8.004 0.877 62 H1* +G 6 H1' G 6 -9.476 -8.895 4.116 63 H8 +G 6 H8 G 6 -7.648 -7.186 1.265 64 H1 +G 6 H1 G 6 -4.940 -6.561 7.024 65 1H2 +G 6 1H2 G 6 -6.397 -7.364 8.538 66 1H2* +G 6 1H2' G 6 -9.823 -6.890 2.070 67 2H2* +G 6 2H2' G 6 -10.705 -7.336 3.585 68 1H5* C 7 1H5' C 7 -12.578 -8.827 5.127 69 2H5* C 7 2H5' C 7 -14.123 -8.083 5.595 70 H4* C 7 H4' C 7 -12.380 -7.604 7.262 71 H3* C 7 H3' C 7 -13.885 -5.551 5.833 72 H1* C 7 H1' C 7 -10.433 -5.713 7.698 73 1H4 C 7 1H4 C 7 -5.434 -3.165 4.872 74 2H4 C 7 2H4 C 7 -6.168 -3.226 3.266 75 H5 C 7 H5 C 7 -8.475 -4.187 2.958 76 H6 C 7 H6 C 7 -10.349 -5.152 4.169 77 1H2* C 7 1H2' C 7 -11.792 -4.307 5.448 78 2H2* C 7 2H2' C 7 -11.829 -4.017 7.211 79 1H5* T 8 1H5' T 8 -11.978 -5.628 10.074 80 2H5* T 8 2H5' T 8 -13.197 -4.949 11.180 81 H4* T 8 H4' T 8 -10.904 -4.562 12.124 82 H3* T 8 H3' T 8 -12.744 -2.547 11.726 83 1H2* T 8 1H2' T 8 -11.305 -1.543 10.227 84 2H2* T 8 2H2' T 8 -10.409 -0.923 11.656 85 H1* T 8 H1' T 8 -8.965 -2.538 11.821 86 H3 T 8 H3 T 8 -6.264 -0.641 8.499 87 1H5M T 8 H51 T 8 -11.104 -1.013 6.538 88 2H5M T 8 H52 T 8 -9.753 -1.058 5.379 89 3H5M T 8 H53 T 8 -10.464 -2.579 6.011 90 H6 T 8 H6 T 8 -10.656 -2.450 8.755 91 1H5* A 9 1H5' A 9 -10.217 0.499 13.209 92 2H5* A 9 2H5' A 9 -8.984 -0.787 13.393 93 H4* A 9 H4' A 9 -8.127 0.730 15.412 94 H3* A 9 H3' A 9 -10.604 1.779 15.250 95 H1* A 9 H1' A 9 -7.698 3.318 13.383 96 H8 A 9 H8 A 9 -10.221 1.610 10.892 97 1H6 A 9 1H6 A 9 -6.048 2.242 6.383 98 2H6 A 9 2H6 A 9 -7.654 1.708 6.803 99 H2 A 9 H2 A 9 -4.119 3.454 10.285 100 1H2* A 9 1H2' A 9 -10.431 2.317 12.883 101 2H2* A 9 2H2' A 9 -9.847 3.792 13.546 102 1H5* C 10 1H5' C 10 -7.071 4.143 16.613 103 2H5* C 10 2H5' C 10 -6.810 5.719 17.374 104 H4* C 10 H4' C 10 -6.058 5.792 15.058 105 H3* C 10 H3' C 10 -8.369 7.444 15.783 106 H1* C 10 H1' C 10 -6.364 6.147 12.720 107 1H4 C 10 1H4 C 10 -9.129 4.468 7.527 108 2H4 C 10 2H4 C 10 -10.739 4.356 8.225 109 H5 C 10 H5 C 10 -11.086 4.898 10.763 110 H6 C 10 H6 C 10 -9.816 5.765 12.723 111 1H2* C 10 1H2' C 10 -9.003 7.195 13.514 112 2H2* C 10 2H2' C 10 -7.459 8.024 12.999 113 1H5* C 11 1H5' C 11 -3.119 7.869 12.186 114 2H5* C 11 2H5' C 11 -3.083 9.111 13.441 115 H4* C 11 H4' C 11 -3.777 10.301 11.483 116 H3* C 11 H3' C 11 -6.100 9.726 13.169 117 H1* C 11 H1' C 11 -5.599 10.328 9.347 118 1H4 C 11 1H4 C 11 -10.641 7.376 7.244 119 2H4 C 11 2H4 C 11 -11.481 7.427 8.793 120 H5 C 11 H5 C 11 -10.450 8.492 10.732 121 H6 C 11 H6 C 11 -8.305 9.552 11.573 122 H3T C 11 H3T C 11 -4.615 10.837 14.228 123 1H2* C 11 1H2' C 11 -7.177 11.254 11.496 124 2H2* C 11 2H2' C 11 -5.509 11.791 11.083 125 1H5* G 12 1H5' G 12 -8.759 9.884 -3.476 126 2H5* G 12 2H5' G 12 -7.571 8.828 -4.270 127 H4* G 12 H4' G 12 -6.667 9.870 -2.205 128 H3* G 12 H3' G 12 -6.548 7.072 -2.746 129 H1* G 12 H1' G 12 -6.746 8.880 0.506 130 H8 G 12 H8 G 12 -10.287 7.260 0.146 131 H1 G 12 H1 G 12 -8.147 8.355 6.080 132 1H2 G 12 1H2 G 12 -6.049 9.326 5.880 133 2H2 G 12 2H2 G 12 -5.274 9.359 4.286 134 H5T G 12 H5T G 12 -9.645 8.009 -2.516 135 1H2* G 12 1H2' G 12 -8.056 6.620 -0.967 136 2H2* G 12 2H2' G 12 -6.504 6.566 -0.055 137 1H5* G 13 1H5' G 13 -3.965 11.111 1.390 138 2H5* G 13 2H5' G 13 -2.632 10.593 0.355 139 H4* G 13 H4' G 13 -2.173 10.145 2.899 140 H3* G 13 H3' G 13 -1.636 8.234 0.917 141 H1* G 13 H1' G 13 -2.558 7.901 4.387 142 H8 G 13 H8 G 13 -5.293 6.453 2.120 143 H1 G 13 H1 G 13 -6.394 5.385 8.319 144 1H2 G 13 1H2 G 13 -4.750 6.453 9.517 145 2H2 G 13 2H2 G 13 -3.449 7.318 8.707 146 1H2* G 13 1H2' G 13 -3.159 6.689 1.867 147 2H2* G 13 2H2' G 13 -1.924 6.596 3.115 148 1H5* T 14 1H5' T 14 0.814 9.058 5.260 149 2H5* T 14 2H5' T 14 2.529 8.681 5.454 150 H4* T 14 H4' T 14 1.462 7.239 7.002 151 H3* T 14 H3' T 14 2.575 5.917 4.777 152 1H2* T 14 1H2' T 14 0.981 4.434 4.791 153 2H2* T 14 2H2' T 14 1.517 3.948 6.479 154 H1* T 14 H1' T 14 0.031 5.137 7.514 155 H3 T 14 H3 T 14 -4.020 3.232 7.315 156 1H5M T 14 H51 T 14 -3.873 3.080 2.609 157 2H5M T 14 H52 T 14 -2.978 4.592 2.372 158 3H5M T 14 H53 T 14 -2.081 3.081 2.408 159 H6 T 14 H6 T 14 -0.893 4.708 4.004 160 1H5* A 15 1H5' A 15 2.221 5.094 9.386 161 2H5* A 15 2H5' A 15 3.623 4.319 10.156 162 H4* A 15 H4' A 15 1.467 3.396 11.123 163 H3* A 15 H3' A 15 3.460 1.723 9.892 164 H1* A 15 H1' A 15 -0.191 1.338 10.512 165 H8 A 15 H8 A 15 0.627 1.252 6.796 166 1H6 A 15 1H6 A 15 -5.371 -0.444 6.114 167 2H6 A 15 2H6 A 15 -3.870 -0.174 5.248 168 H2 A 15 H2 A 15 -4.441 0.312 10.466 169 1H2* A 15 1H2' A 15 1.866 0.557 8.631 170 2H2* A 15 2H2' A 15 1.134 -0.043 10.102 171 1H5* G 16 1H5' G 16 0.078 0.202 13.545 172 2H5* G 16 2H5' G 16 1.169 -0.916 14.387 173 H4* G 16 H4' G 16 -0.989 -1.971 14.262 174 H3* G 16 H3' G 16 1.345 -3.097 13.417 175 H1* G 16 H1' G 16 -1.908 -3.745 12.149 176 H8 G 16 H8 G 16 -0.137 -2.078 9.187 177 H1 G 16 H1 G 16 -6.113 -3.915 7.769 178 1H2 G 16 1H2 G 16 -7.134 -4.597 9.618 179 2H2 G 16 2H2 G 16 -6.260 -4.765 11.142 180 1H2* G 16 1H2' G 16 0.669 -2.780 11.060 181 2H2* G 16 2H2' G 16 0.119 -4.468 11.317 182 1H5* C 17 1H5' C 17 -2.355 -5.827 14.893 183 2H5* C 17 2H5' C 17 -1.760 -7.355 15.593 184 H4* C 17 H4' C 17 -4.013 -7.610 14.604 185 H3* C 17 H3' C 17 -2.119 -9.425 14.395 186 H1* C 17 H1' C 17 -4.185 -8.382 11.536 187 1H4 C 17 1H4 C 17 -2.783 -5.343 6.179 188 2H4 C 17 2H4 C 17 -1.108 -5.094 6.633 189 H5 C 17 H5 C 17 -0.184 -6.019 8.711 190 H6 C 17 H6 C 17 -0.801 -7.132 10.875 191 1H2* C 17 1H2' C 17 -1.324 -8.265 12.541 192 2H2* C 17 2H2' C 17 -2.088 -9.767 11.727 193 1H5* G 18 1H5' G 18 -4.032 -13.915 15.396 194 2H5* G 18 2H5' G 18 -3.149 -14.248 13.900 195 H4* G 18 H4' G 18 -6.091 -13.523 14.125 196 H3* G 18 H3' G 18 -5.215 -16.041 14.472 197 H1* G 18 H1' G 18 -6.205 -14.924 10.913 198 H8 G 18 H8 G 18 -2.338 -14.146 11.426 199 H1 G 18 H1 G 18 -4.368 -13.821 5.395 200 1H2 G 18 1H2 G 18 -6.566 -14.093 5.328 201 2H2 G 18 2H2 G 18 -7.448 -14.773 6.714 202 1H2* G 18 1H2' G 18 -3.827 -15.939 12.499 203 2H2* G 18 2H2' G 18 -5.211 -16.870 11.865 204 1H5* A 19 1H5' A 19 -8.862 -15.747 10.912 205 2H5* A 19 2H5' A 19 -9.835 -17.161 11.371 206 H4* A 19 H4' A 19 -9.734 -17.124 8.969 207 H3* A 19 H3' A 19 -8.529 -19.309 10.410 208 H1* A 19 H1' A 19 -7.789 -17.793 6.845 209 H8 A 19 H8 A 19 -4.942 -18.142 9.460 210 1H6 A 19 1H6 A 19 -1.222 -16.505 4.744 211 2H6 A 19 2H6 A 19 -1.290 -17.002 6.425 212 H2 A 19 H2 A 19 -5.486 -16.509 3.303 213 1H2* A 19 1H2' A 19 -6.802 -19.459 9.169 214 2H2* A 19 2H2' A 19 -7.823 -19.924 7.799 215 1H5* T 20 1H5' T 20 -10.186 -18.857 6.331 216 2H5* T 20 2H5' T 20 -11.465 -20.076 6.057 217 H4* T 20 H4' T 20 -10.392 -19.531 3.849 218 H3* T 20 H3' T 20 -10.644 -22.066 4.946 219 1H2* T 20 1H2' T 20 -8.300 -22.471 4.969 220 2H2* T 20 2H2' T 20 -8.697 -22.742 3.263 221 H1* T 20 H1' T 20 -8.017 -20.605 2.571 222 H3 T 20 H3 T 20 -3.562 -19.528 3.065 223 1H5M T 20 H51 T 20 -5.322 -20.551 7.905 224 2H5M T 20 H52 T 20 -4.914 -22.178 7.348 225 3H5M T 20 H53 T 20 -3.614 -20.962 7.531 226 H6 T 20 H6 T 20 -6.926 -21.205 6.015 227 1H5* G 21 1H5' G 21 -9.676 -21.125 0.083 228 2H5* G 21 2H5' G 21 -10.318 -22.536 -0.775 229 H4* G 21 H4' G 21 -8.245 -21.975 -1.828 230 H3* G 21 H3' G 21 -8.665 -24.493 -0.785 231 H1* G 21 H1' G 21 -5.476 -22.864 -1.247 232 H8 G 21 H8 G 21 -6.131 -22.941 2.348 233 H1 G 21 H1 G 21 -0.065 -21.545 0.983 234 1H2 G 21 1H2 G 21 0.095 -21.290 -1.264 235 2H2 G 21 2H2 G 21 -1.296 -21.562 -2.313 236 1H2* G 21 1H2' G 21 -6.972 -24.066 0.877 237 2H2* G 21 2H2' G 21 -5.921 -24.733 -0.412 238 1H5* G 22 1H5' G 22 -6.205 -23.261 -4.717 239 2H5* G 22 2H5' G 22 -6.622 -24.546 -5.869 240 H4* G 22 H4' G 22 -4.582 -23.301 -6.562 241 H3* G 22 H3' G 22 -4.629 -25.980 -6.879 242 H1* G 22 H1' G 22 -1.633 -24.467 -5.012 243 H8 G 22 H8 G 22 -4.547 -25.146 -2.589 244 H1 G 22 H1 G 22 1.126 -24.448 0.262 245 1H2 G 22 1H2 G 22 2.705 -24.093 -1.333 246 2H2 G 22 2H2 G 22 2.257 -23.922 -3.024 247 H3T G 22 H3T G 22 -2.601 -24.034 -6.970 248 1H2* G 22 1H2' G 22 -3.968 -26.244 -4.445 249 2H2* G 22 2H2' G 22 -2.496 -26.591 -5.439 250 1H1 BPI 25 H1 BPH 1 -7.691 -9.811 7.622 251 H2 BPI 25 H2 BPH 1 -8.426 -7.717 9.915 252 2HO BPI 25 HO2 BPH 1 -9.425 -8.070 7.291 253 H3 BPI 25 H3 BPH 1 -9.948 -9.401 10.750 254 3HO BPI 25 HO3 BPH 1 -9.415 -11.542 9.369 255 H4 BPI 25 H4 BPH 1 -8.322 -10.417 11.812 256 4HO BPI 25 HO4 BPH 1 -6.732 -8.488 11.983 257 H5 BPI 25 H5 BPH 1 -6.171 -11.418 12.086 258 H6 BPI 25 H6 BPH 1 -3.978 -11.984 11.214 259 H7 BPI 25 H7 BPH 1 -2.150 -11.541 9.619 260 H8 BPI 25 H8 BPH 1 -1.317 -10.242 7.736 261 H9 BPI 25 H9 BPH 1 -1.781 -9.594 5.321 262 H10 BPI 25 H10 BPH 1 -3.459 -9.318 3.467 263 H11 BPI 25 H11 BPH 1 -5.946 -9.800 4.030 264 H12 BPI 25 H12 BPH 1 -6.610 -10.407 6.083 Start of MODEL 4 1 1H5* C 1 1H5' C 1 8.462 -28.527 1.934 2 2H5* C 1 2H5' C 1 7.066 -28.573 3.014 3 H4* C 1 H4' C 1 7.228 -27.355 0.222 4 H3* C 1 H3' C 1 7.278 -26.085 2.913 5 H1* C 1 H1' C 1 5.008 -25.925 -0.399 6 1H4 C 1 1H4 C 1 -0.797 -24.684 1.759 7 2H4 C 1 2H4 C 1 -0.339 -24.933 3.439 8 H5 C 1 H5 C 1 1.977 -25.814 4.042 9 H6 C 1 H6 C 1 4.137 -26.263 3.137 10 H5T C 1 H5T C 1 5.992 -29.689 1.216 11 1H2* C 1 1H2' C 1 5.584 -24.632 2.205 12 2H2* C 1 2H2' C 1 6.380 -24.425 0.601 13 1H5* C 2 1H5' C 2 7.907 -24.453 -1.191 14 2H5* C 2 2H5' C 2 8.970 -23.053 -1.478 15 H4* C 2 H4' C 2 6.802 -22.868 -2.681 16 H3* C 2 H3' C 2 7.804 -20.832 -0.815 17 H1* C 2 H1' C 2 4.300 -21.680 -1.864 18 1H4 C 2 1H4 C 2 0.519 -22.220 3.272 19 2H4 C 2 2H4 C 2 1.842 -22.294 4.420 20 H5 C 2 H5 C 2 4.414 -22.360 3.422 21 H6 C 2 H6 C 2 5.534 -22.192 1.687 22 1H2* C 2 1H2' C 2 6.071 -20.662 0.396 23 2H2* C 2 2H2' C 2 5.375 -19.810 -1.003 24 1H5* A 3 1H5' A 3 3.149 -20.757 -4.331 25 2H5* A 3 2H5' A 3 3.712 -19.334 -5.222 26 H4* A 3 H4' A 3 1.512 -19.103 -4.522 27 H3* A 3 H3' A 3 3.477 -17.150 -3.752 28 H1* A 3 H1' A 3 0.147 -18.031 -2.210 29 H8 A 3 H8 A 3 3.087 -18.463 0.277 30 1H6 A 3 1H6 A 3 -1.300 -19.210 4.607 31 2H6 A 3 2H6 A 3 0.421 -19.024 4.323 32 H2 A 3 H2 A 3 -3.304 -18.717 0.656 33 1H2* A 3 1H2' A 3 2.835 -17.034 -1.460 34 2H2* A 3 2H2' A 3 1.327 -16.356 -2.023 35 1H5* T 4 1H5' T 4 -0.913 -16.585 -5.227 36 2H5* T 4 2H5' T 4 -1.716 -15.272 -6.098 37 H4* T 4 H4' T 4 -3.011 -15.827 -4.205 38 H3* T 4 H3' T 4 -1.708 -13.176 -4.015 39 1H2* T 4 1H2' T 4 -1.805 -13.254 -1.852 40 2H2* T 4 2H2' T 4 -3.612 -13.402 -1.859 41 H1* T 4 H1' T 4 -3.592 -15.637 -1.703 42 H3 T 4 H3 T 4 -2.525 -16.144 2.607 43 1H5M T 4 H51 T 4 1.896 -14.701 1.841 44 2H5M T 4 H52 T 4 2.041 -15.254 0.154 45 3H5M T 4 H53 T 4 1.553 -13.583 0.494 46 H6 T 4 H6 T 4 -0.232 -14.605 -1.278 47 1H5* C 5 1H5' C 5 -7.311 -14.496 -2.166 48 2H5* C 5 2H5' C 5 -7.650 -13.002 -3.068 49 H4* C 5 H4' C 5 -8.174 -12.683 -0.633 50 H3* C 5 H3' C 5 -5.810 -11.153 -1.638 51 H1* C 5 H1' C 5 -7.039 -12.303 1.798 52 1H4 C 5 1H4 C 5 -1.388 -13.144 4.489 53 2H4 C 5 2H4 C 5 -0.473 -12.783 3.021 54 H5 C 5 H5 C 5 -1.690 -12.036 0.961 55 H6 C 5 H6 C 5 -3.984 -11.795 -0.001 56 1H2* C 5 1H2' C 5 -5.491 -10.383 0.391 57 2H2* C 5 2H2' C 5 -7.198 -10.435 0.893 58 1H5* +G 6 1H5' G 6 -9.608 -11.628 0.792 59 2H5* +G 6 2H5' G 6 -11.230 -11.008 0.426 60 H4* +G 6 H4' G 6 -10.709 -10.782 2.718 61 H3* +G 6 H3' G 6 -11.131 -8.366 0.992 62 H1* +G 6 H1' G 6 -9.371 -8.738 4.386 63 H8 +G 6 H8 G 6 -7.543 -7.253 1.354 64 H1 +G 6 H1 G 6 -4.720 -6.588 7.069 65 1H2 +G 6 1H2 G 6 -6.146 -7.350 8.598 66 1H2* +G 6 1H2' G 6 -9.737 -7.003 2.111 67 2H2* +G 6 2H2' G 6 -10.627 -7.282 3.640 68 1H5* C 7 1H5' C 7 -12.587 -8.670 5.198 69 2H5* C 7 2H5' C 7 -14.112 -7.843 5.596 70 H4* C 7 H4' C 7 -12.383 -7.452 7.320 71 H3* C 7 H3' C 7 -13.889 -5.397 6.009 72 H1* C 7 H1' C 7 -10.395 -5.522 7.682 73 1H4 C 7 1H4 C 7 -5.259 -3.222 4.877 74 2H4 C 7 2H4 C 7 -5.988 -3.278 3.271 75 H5 C 7 H5 C 7 -8.305 -4.231 2.939 76 H6 C 7 H6 C 7 -10.199 -5.092 4.108 77 1H2* C 7 1H2' C 7 -11.767 -4.340 5.249 78 2H2* C 7 2H2' C 7 -11.699 -3.824 6.972 79 1H5* T 8 1H5' T 8 -12.489 -5.656 10.581 80 2H5* T 8 2H5' T 8 -13.391 -4.998 11.955 81 H4* T 8 H4' T 8 -11.237 -4.059 12.219 82 H3* T 8 H3' T 8 -13.188 -2.209 11.473 83 1H2* T 8 1H2' T 8 -11.629 -1.315 10.033 84 2H2* T 8 2H2' T 8 -10.728 -0.719 11.467 85 H1* T 8 H1' T 8 -9.363 -2.393 11.623 86 H3 T 8 H3 T 8 -6.465 -0.701 8.473 87 1H5M T 8 H51 T 8 -10.707 -2.253 5.802 88 2H5M T 8 H52 T 8 -11.273 -0.671 6.351 89 3H5M T 8 H53 T 8 -9.881 -0.760 5.242 90 H6 T 8 H6 T 8 -11.007 -2.132 8.545 91 1H5* A 9 1H5' A 9 -10.595 0.906 12.970 92 2H5* A 9 2H5' A 9 -9.567 -0.560 13.237 93 H4* A 9 H4' A 9 -8.554 0.919 15.222 94 H3* A 9 H3' A 9 -10.909 2.230 14.937 95 H1* A 9 H1' A 9 -7.721 3.419 13.200 96 H8 A 9 H8 A 9 -10.375 1.804 10.746 97 1H6 A 9 1H6 A 9 -6.213 2.299 6.216 98 2H6 A 9 2H6 A 9 -7.814 1.760 6.651 99 H2 A 9 H2 A 9 -4.225 3.490 10.070 100 1H2* A 9 1H2' A 9 -10.518 2.822 12.634 101 2H2* A 9 2H2' A 9 -9.693 4.210 13.369 102 1H5* C 10 1H5' C 10 -7.563 4.734 15.990 103 2H5* C 10 2H5' C 10 -7.678 6.380 16.651 104 H4* C 10 H4' C 10 -6.447 6.250 14.462 105 H3* C 10 H3' C 10 -8.873 7.883 14.820 106 H1* C 10 H1' C 10 -6.555 6.451 12.070 107 1H4 C 10 1H4 C 10 -9.001 4.421 6.800 108 2H4 C 10 2H4 C 10 -10.642 4.277 7.417 109 H5 C 10 H5 C 10 -11.125 4.877 9.986 110 H6 C 10 H6 C 10 -9.993 5.798 11.909 111 1H2* C 10 1H2' C 10 -9.310 7.391 12.548 112 2H2* C 10 2H2' C 10 -7.778 8.274 12.087 113 1H5* C 11 1H5' C 11 -3.425 8.338 11.522 114 2H5* C 11 2H5' C 11 -3.523 9.644 12.712 115 H4* C 11 H4' C 11 -4.140 10.712 10.657 116 H3* C 11 H3' C 11 -6.526 10.085 12.228 117 H1* C 11 H1' C 11 -5.810 10.534 8.406 118 1H4 C 11 1H4 C 11 -10.525 7.146 6.166 119 2H4 C 11 2H4 C 11 -11.447 7.205 7.668 120 H5 C 11 H5 C 11 -10.593 8.411 9.624 121 H6 C 11 H6 C 11 -8.582 9.654 10.515 122 H3T C 11 H3T C 11 -5.190 11.337 13.305 123 1H2* C 11 1H2' C 11 -7.585 11.447 10.404 124 2H2* C 11 2H2' C 11 -5.927 12.078 10.080 125 1H5* G 12 1H5' G 12 -8.282 8.578 -4.651 126 2H5* G 12 2H5' G 12 -6.936 7.589 -5.251 127 H4* G 12 H4' G 12 -6.273 8.978 -3.295 128 H3* G 12 H3' G 12 -5.861 6.146 -3.459 129 H1* G 12 H1' G 12 -6.343 8.396 -0.466 130 H8 G 12 H8 G 12 -9.663 6.351 -0.821 131 H1 G 12 H1 G 12 -8.075 8.214 5.093 132 1H2 G 12 1H2 G 12 -6.066 9.369 4.931 133 2H2 G 12 2H2 G 12 -5.166 9.295 3.406 134 H5T G 12 H5T G 12 -9.011 6.736 -3.514 135 1H2* G 12 1H2' G 12 -7.259 5.784 -1.578 136 2H2* G 12 2H2' G 12 -5.712 6.101 -0.711 137 1H5* G 13 1H5' G 13 -3.779 10.573 0.268 138 2H5* G 13 2H5' G 13 -2.196 10.232 -0.457 139 H4* G 13 H4' G 13 -1.997 10.074 2.100 140 H3* G 13 H3' G 13 -1.213 7.958 0.389 141 H1* G 13 H1' G 13 -2.314 7.987 3.834 142 H8 G 13 H8 G 13 -4.837 6.256 1.522 143 H1 G 13 H1 G 13 -6.342 5.556 7.691 144 1H2 G 13 1H2 G 13 -4.819 6.738 8.921 145 2H2 G 13 2H2 G 13 -3.484 7.597 8.162 146 1H2* G 13 1H2' G 13 -2.685 6.524 1.461 147 2H2* G 13 2H2' G 13 -1.464 6.596 2.783 148 1H5* T 14 1H5' T 14 0.964 8.521 4.892 149 2H5* T 14 2H5' T 14 2.634 7.970 4.625 150 H4* T 14 H4' T 14 1.720 6.844 6.719 151 H3* T 14 H3' T 14 2.525 5.389 4.379 152 1H2* T 14 1H2' T 14 0.923 3.922 4.575 153 2H2* T 14 2H2' T 14 1.569 3.498 6.227 154 H1* T 14 H1' T 14 0.211 4.777 7.352 155 H3 T 14 H3 T 14 -4.035 3.088 7.197 156 1H5M T 14 H51 T 14 -4.079 3.214 2.495 157 2H5M T 14 H52 T 14 -2.994 4.592 2.273 158 3H5M T 14 H53 T 14 -2.321 2.965 2.233 159 H6 T 14 H6 T 14 -0.917 4.536 3.874 160 1H5* A 15 1H5' A 15 1.631 5.080 9.935 161 2H5* A 15 2H5' A 15 3.141 4.378 10.552 162 H4* A 15 H4' A 15 1.139 3.116 11.333 163 H3* A 15 H3' A 15 3.243 1.795 9.780 164 H1* A 15 H1' A 15 -0.373 1.040 10.538 165 H8 A 15 H8 A 15 0.519 0.926 6.825 166 1H6 A 15 1H6 A 15 -5.526 -0.458 6.046 167 2H6 A 15 2H6 A 15 -3.980 -0.338 5.224 168 H2 A 15 H2 A 15 -4.670 0.366 10.409 169 1H2* A 15 1H2' A 15 1.750 0.418 8.679 170 2H2* A 15 2H2' A 15 1.092 -0.201 10.165 171 1H5* G 16 1H5' G 16 0.343 0.009 13.477 172 2H5* G 16 2H5' G 16 1.436 -1.112 14.315 173 H4* G 16 H4' G 16 -0.767 -2.125 14.236 174 H3* G 16 H3' G 16 1.539 -3.315 13.425 175 H1* G 16 H1' G 16 -1.744 -3.903 12.157 176 H8 G 16 H8 G 16 0.108 -2.379 9.167 177 H1 G 16 H1 G 16 -5.952 -3.904 7.734 178 1H2 G 16 1H2 G 16 -7.015 -4.523 9.570 179 2H2 G 16 2H2 G 16 -6.190 -4.654 11.129 180 1H2* G 16 1H2' G 16 0.881 -3.048 11.063 181 2H2* G 16 2H2' G 16 0.269 -4.709 11.360 182 1H5* C 17 1H5' C 17 -2.138 -5.944 15.020 183 2H5* C 17 2H5' C 17 -1.592 -7.486 15.730 184 H4* C 17 H4' C 17 -3.870 -7.652 14.761 185 H3* C 17 H3' C 17 -2.064 -9.558 14.556 186 H1* C 17 H1' C 17 -4.123 -8.429 11.720 187 1H4 C 17 1H4 C 17 -2.604 -5.502 6.303 188 2H4 C 17 2H4 C 17 -0.916 -5.387 6.745 189 H5 C 17 H5 C 17 -0.035 -6.311 8.813 190 H6 C 17 H6 C 17 -0.681 -7.369 10.997 191 1H2* C 17 1H2' C 17 -1.246 -8.475 12.670 192 2H2* C 17 2H2' C 17 -2.101 -9.930 11.880 193 1H5* G 18 1H5' G 18 -3.613 -14.076 15.195 194 2H5* G 18 2H5' G 18 -2.841 -14.271 13.620 195 H4* G 18 H4' G 18 -5.824 -13.990 14.149 196 H3* G 18 H3' G 18 -4.437 -16.325 14.260 197 H1* G 18 H1' G 18 -5.977 -15.172 10.801 198 H8 G 18 H8 G 18 -2.079 -14.264 11.188 199 H1 G 18 H1 G 18 -4.411 -13.695 5.302 200 1H2 G 18 1H2 G 18 -6.616 -14.005 5.314 201 2H2 G 18 2H2 G 18 -7.443 -14.680 6.739 202 1H2* G 18 1H2' G 18 -3.440 -16.151 12.144 203 2H2* G 18 2H2' G 18 -4.860 -17.086 11.632 204 1H5* A 19 1H5' A 19 -8.566 -14.952 10.506 205 2H5* A 19 2H5' A 19 -9.716 -16.177 11.070 206 H4* A 19 H4' A 19 -9.556 -16.209 8.691 207 H3* A 19 H3' A 19 -8.772 -18.597 10.186 208 H1* A 19 H1' A 19 -7.840 -17.336 6.564 209 H8 A 19 H8 A 19 -5.084 -18.225 9.164 210 1H6 A 19 1H6 A 19 -1.166 -16.678 4.590 211 2H6 A 19 2H6 A 19 -1.302 -17.306 6.223 212 H2 A 19 H2 A 19 -5.377 -16.076 3.148 213 1H2* A 19 1H2' A 19 -7.174 -19.143 8.907 214 2H2* A 19 2H2' A 19 -8.319 -19.431 7.594 215 1H5* T 20 1H5' T 20 -11.712 -19.629 5.625 216 2H5* T 20 2H5' T 20 -10.149 -20.066 6.355 217 H4* T 20 H4' T 20 -10.439 -18.548 3.717 218 H3* T 20 H3' T 20 -10.809 -21.322 4.233 219 1H2* T 20 1H2' T 20 -8.474 -21.792 4.351 220 2H2* T 20 2H2' T 20 -8.754 -21.690 2.617 221 H1* T 20 H1' T 20 -7.974 -19.469 2.467 222 H3 T 20 H3 T 20 -3.484 -19.393 3.346 223 1H5M T 20 H51 T 20 -5.588 -22.154 7.244 224 2H5M T 20 H52 T 20 -4.121 -21.209 7.617 225 3H5M T 20 H53 T 20 -5.745 -20.536 7.947 226 H6 T 20 H6 T 20 -7.332 -20.705 5.830 227 1H5* G 21 1H5' G 21 -8.686 -18.334 -0.733 228 2H5* G 21 2H5' G 21 -9.815 -19.422 -1.562 229 H4* G 21 H4' G 21 -7.669 -19.595 -2.633 230 H3* G 21 H3' G 21 -9.017 -21.809 -1.744 231 H1* G 21 H1' G 21 -5.439 -21.495 -2.004 232 H8 G 21 H8 G 21 -6.218 -21.701 1.598 233 H1 G 21 H1 G 21 0.047 -21.724 0.402 234 1H2 G 21 1H2 G 21 0.347 -21.201 -1.803 235 2H2 G 21 2H2 G 21 -1.034 -21.016 -2.882 236 1H2* G 21 1H2' G 21 -7.392 -22.124 -0.005 237 2H2* G 21 2H2' G 21 -6.573 -23.069 -1.291 238 1H5* G 22 1H5' G 22 -6.396 -21.180 -5.546 239 2H5* G 22 2H5' G 22 -7.051 -22.224 -6.827 240 H4* G 22 H4' G 22 -4.765 -21.375 -7.352 241 H3* G 22 H3' G 22 -5.396 -23.927 -7.984 242 H1* G 22 H1' G 22 -2.190 -23.297 -5.960 243 H8 G 22 H8 G 22 -5.225 -23.739 -3.623 244 H1 G 22 H1 G 22 0.454 -24.521 -0.790 245 1H2 G 22 1H2 G 22 2.074 -24.218 -2.342 246 2H2 G 22 2H2 G 22 1.688 -23.741 -3.991 247 H3T G 22 H3T G 22 -3.007 -22.459 -7.882 248 1H2* G 22 1H2' G 22 -4.846 -24.646 -5.621 249 2H2* G 22 2H2' G 22 -3.448 -25.132 -6.656 250 1H1 BPI 25 H1 BPH 1 -7.648 -9.707 7.749 251 H2 BPI 25 H2 BPH 1 -8.288 -7.505 9.974 252 2HO BPI 25 HO2 BPH 1 -9.810 -8.269 7.688 253 H3 BPI 25 H3 BPH 1 -9.925 -9.083 10.794 254 3HO BPI 25 HO3 BPH 1 -9.515 -11.236 9.398 255 H4 BPI 25 H4 BPH 1 -8.388 -10.223 11.894 256 4HO BPI 25 HO4 BPH 1 -6.704 -7.995 11.415 257 H5 BPI 25 H5 BPH 1 -6.305 -11.382 12.229 258 H6 BPI 25 H6 BPH 1 -4.121 -12.060 11.404 259 H7 BPI 25 H7 BPH 1 -2.241 -11.715 9.813 260 H8 BPI 25 H8 BPH 1 -1.330 -10.431 7.937 261 H9 BPI 25 H9 BPH 1 -1.750 -9.822 5.483 262 H10 BPI 25 H10 BPH 1 -3.397 -9.584 3.606 263 H11 BPI 25 H11 BPH 1 -5.919 -9.945 4.170 264 H12 BPI 25 H12 BPH 1 -6.604 -10.454 6.238 Start of MODEL 5 1 1H5* C 1 1H5' C 1 6.783 -28.946 3.128 2 2H5* C 1 2H5' C 1 8.073 -27.833 3.594 3 H4* C 1 H4' C 1 6.932 -27.160 1.478 4 H3* C 1 H3' C 1 6.880 -25.369 3.876 5 H1* C 1 H1' C 1 4.678 -25.888 0.560 6 1H4 C 1 1H4 C 1 -1.241 -24.662 2.625 7 2H4 C 1 2H4 C 1 -0.731 -24.624 4.305 8 H5 C 1 H5 C 1 1.593 -25.301 4.966 9 H6 C 1 H6 C 1 3.784 -25.747 4.102 10 H5T C 1 H5T C 1 5.428 -27.862 4.645 11 1H2* C 1 1H2' C 1 5.116 -24.142 2.935 12 2H2* C 1 2H2' C 1 5.941 -24.151 1.332 13 1H5* C 2 1H5' C 2 6.450 -24.994 -1.391 14 2H5* C 2 2H5' C 2 7.633 -23.808 -1.981 15 H4* C 2 H4' C 2 5.365 -23.230 -2.585 16 H3* C 2 H3' C 2 6.921 -21.383 -0.820 17 H1* C 2 H1' C 2 3.257 -21.833 -1.597 18 1H4 C 2 1H4 C 2 -0.139 -21.809 3.823 19 2H4 C 2 2H4 C 2 1.282 -21.725 4.860 20 H5 C 2 H5 C 2 3.723 -21.851 3.733 21 H6 C 2 H6 C 2 4.755 -21.866 1.903 22 1H2* C 2 1H2' C 2 5.297 -20.629 0.303 23 2H2* C 2 2H2' C 2 4.627 -19.994 -1.195 24 1H5* A 3 1H5' A 3 2.419 -21.103 -4.449 25 2H5* A 3 2H5' A 3 3.124 -19.803 -5.428 26 H4* A 3 H4' A 3 0.963 -19.280 -4.786 27 H3* A 3 H3' A 3 3.193 -17.604 -3.834 28 H1* A 3 H1' A 3 -0.436 -18.023 -2.594 29 H8 A 3 H8 A 3 2.487 -18.298 -0.085 30 1H6 A 3 1H6 A 3 -1.753 -19.118 4.338 31 2H6 A 3 2H6 A 3 -0.070 -18.796 3.978 32 H2 A 3 H2 A 3 -3.893 -18.814 0.386 33 1H2* A 3 1H2' A 3 2.193 -16.955 -1.869 34 2H2* A 3 2H2' A 3 0.759 -16.377 -2.702 35 1H5* T 4 1H5' T 4 -0.921 -16.643 -4.892 36 2H5* T 4 2H5' T 4 -1.298 -15.157 -5.782 37 H4* T 4 H4' T 4 -3.076 -15.773 -4.164 38 H3* T 4 H3' T 4 -1.644 -13.192 -3.882 39 1H2* T 4 1H2' T 4 -1.855 -13.217 -1.730 40 2H2* T 4 2H2' T 4 -3.665 -13.228 -1.835 41 H1* T 4 H1' T 4 -3.862 -15.451 -1.653 42 H3 T 4 H3 T 4 -2.756 -16.069 2.741 43 1H5M T 4 H51 T 4 1.786 -15.641 0.144 44 2H5M T 4 H52 T 4 1.535 -13.934 0.526 45 3H5M T 4 H53 T 4 1.778 -15.123 1.841 46 H6 T 4 H6 T 4 -0.430 -14.740 -1.191 47 1H5* C 5 1H5' C 5 -7.322 -13.991 -2.333 48 2H5* C 5 2H5' C 5 -7.586 -12.433 -3.146 49 H4* C 5 H4' C 5 -8.035 -12.226 -0.691 50 H3* C 5 H3' C 5 -5.614 -10.725 -1.613 51 H1* C 5 H1' C 5 -6.907 -12.158 1.716 52 1H4 C 5 1H4 C 5 -1.325 -13.134 4.510 53 2H4 C 5 2H4 C 5 -0.365 -12.747 3.081 54 H5 C 5 H5 C 5 -1.533 -11.888 1.002 55 H6 C 5 H6 C 5 -3.817 -11.577 0.011 56 1H2* C 5 1H2' C 5 -5.275 -10.154 0.491 57 2H2* C 5 2H2' C 5 -6.983 -10.225 0.999 58 1H5* +G 6 1H5' G 6 -9.907 -11.995 1.390 59 2H5* +G 6 2H5' G 6 -11.218 -11.172 0.544 60 H4* +G 6 H4' G 6 -10.818 -10.666 2.882 61 H3* +G 6 H3' G 6 -10.896 -8.445 0.805 62 H1* +G 6 H1' G 6 -9.415 -8.584 4.381 63 H8 +G 6 H8 G 6 -7.527 -7.134 1.351 64 H1 +G 6 H1 G 6 -4.744 -6.574 7.087 65 1H2 +G 6 1H2 G 6 -6.222 -7.339 8.623 66 1H2* +G 6 1H2' G 6 -9.731 -6.953 2.026 67 2H2* +G 6 2H2' G 6 -10.679 -7.216 3.496 68 1H5* C 7 1H5' C 7 -12.729 -8.625 4.711 69 2H5* C 7 2H5' C 7 -14.253 -7.791 5.086 70 H4* C 7 H4' C 7 -12.564 -7.543 6.920 71 H3* C 7 H3' C 7 -13.948 -5.343 5.614 72 H1* C 7 H1' C 7 -10.535 -5.743 7.529 73 1H4 C 7 1H4 C 7 -5.445 -3.236 4.682 74 2H4 C 7 2H4 C 7 -6.219 -3.246 3.096 75 H5 C 7 H5 C 7 -8.569 -4.115 2.816 76 H6 C 7 H6 C 7 -10.438 -5.031 4.026 77 1H2* C 7 1H2' C 7 -11.809 -4.147 5.356 78 2H2* C 7 2H2' C 7 -11.872 -3.996 7.133 79 1H5* T 8 1H5' T 8 -11.898 -5.988 9.735 80 2H5* T 8 2H5' T 8 -13.117 -5.472 10.925 81 H4* T 8 H4' T 8 -10.839 -5.197 11.924 82 H3* T 8 H3' T 8 -12.709 -3.150 11.678 83 1H2* T 8 1H2' T 8 -11.231 -1.946 10.402 84 2H2* T 8 2H2' T 8 -10.359 -1.537 11.938 85 H1* T 8 H1' T 8 -8.877 -3.138 11.866 86 H3 T 8 H3 T 8 -6.206 -0.792 8.795 87 1H5M T 8 H51 T 8 -10.342 -2.526 6.095 88 2H5M T 8 H52 T 8 -11.026 -1.036 6.780 89 3H5M T 8 H53 T 8 -9.657 -0.929 5.644 90 H6 T 8 H6 T 8 -10.573 -2.704 8.829 91 1H5* A 9 1H5' A 9 -10.666 -0.828 15.212 92 2H5* A 9 2H5' A 9 -10.381 -0.155 13.622 93 H4* A 9 H4' A 9 -8.097 -0.225 15.615 94 H3* A 9 H3' A 9 -10.406 1.210 15.663 95 H1* A 9 H1' A 9 -7.442 2.351 13.795 96 H8 A 9 H8 A 9 -10.178 1.031 11.312 97 1H6 A 9 1H6 A 9 -6.452 2.540 6.630 98 2H6 A 9 2H6 A 9 -7.973 1.842 7.112 99 H2 A 9 H2 A 9 -4.248 3.294 10.530 100 1H2* A 9 1H2' A 9 -10.291 1.762 13.323 101 2H2* A 9 2H2' A 9 -9.414 3.146 14.013 102 1H5* C 10 1H5' C 10 -6.305 3.544 16.770 103 2H5* C 10 2H5' C 10 -6.349 5.071 17.659 104 H4* C 10 H4' C 10 -6.151 5.740 15.400 105 H3* C 10 H3' C 10 -8.851 6.121 16.390 106 H1* C 10 H1' C 10 -6.659 5.948 13.099 107 1H4 C 10 1H4 C 10 -9.263 4.289 7.839 108 2H4 C 10 2H4 C 10 -10.817 3.888 8.549 109 H5 C 10 H5 C 10 -11.188 4.214 11.168 110 H6 C 10 H6 C 10 -10.053 4.975 13.120 111 1H2* C 10 1H2' C 10 -9.392 6.342 14.093 112 2H2* C 10 2H2' C 10 -7.989 7.477 13.829 113 1H5* C 11 1H5' C 11 -3.677 8.548 14.163 114 2H5* C 11 2H5' C 11 -4.155 9.660 15.447 115 H4* C 11 H4' C 11 -4.973 10.574 13.458 116 H3* C 11 H3' C 11 -7.321 9.354 14.774 117 H1* C 11 H1' C 11 -6.453 10.226 11.111 118 1H4 C 11 1H4 C 11 -10.810 6.731 8.349 119 2H4 C 11 2H4 C 11 -11.859 6.761 9.759 120 H5 C 11 H5 C 11 -11.204 7.864 11.796 121 H6 C 11 H6 C 11 -9.329 9.097 12.939 122 H3T C 11 H3T C 11 -6.319 10.702 16.129 123 1H2* C 11 1H2' C 11 -8.402 10.887 13.046 124 2H2* C 11 2H2' C 11 -6.787 11.629 12.898 125 1H5* G 12 1H5' G 12 -10.214 10.388 -1.588 126 2H5* G 12 2H5' G 12 -10.469 12.024 -0.950 127 H4* G 12 H4' G 12 -8.202 11.976 0.063 128 H3* G 12 H3' G 12 -7.760 9.659 -1.597 129 H1* G 12 H1' G 12 -7.576 10.238 2.142 130 H8 G 12 H8 G 12 -10.633 7.877 1.472 131 H1 G 12 H1 G 12 -8.487 8.056 7.490 132 1H2 G 12 1H2 G 12 -6.720 9.447 7.595 133 2H2 G 12 2H2 G 12 -6.074 10.203 6.131 134 H5T G 12 H5T G 12 -8.122 11.720 -2.289 135 1H2* G 12 1H2' G 12 -8.504 8.253 0.095 136 2H2* G 12 2H2' G 12 -6.833 8.493 0.712 137 1H5* G 13 1H5' G 13 -4.663 11.646 1.706 138 2H5* G 13 2H5' G 13 -3.059 11.459 0.968 139 H4* G 13 H4' G 13 -2.812 10.994 3.471 140 H3* G 13 H3' G 13 -2.073 9.129 1.489 141 H1* G 13 H1' G 13 -3.067 8.679 4.890 142 H8 G 13 H8 G 13 -5.789 7.399 2.534 143 H1 G 13 H1 G 13 -6.627 5.341 8.533 144 1H2 G 13 1H2 G 13 -5.045 6.295 9.823 145 2H2 G 13 2H2 G 13 -3.759 7.286 9.132 146 1H2* G 13 1H2' G 13 -3.634 7.622 2.360 147 2H2* G 13 2H2' G 13 -2.348 7.407 3.615 148 1H5* T 14 1H5' T 14 0.116 8.904 5.942 149 2H5* T 14 2H5' T 14 1.782 8.397 5.593 150 H4* T 14 H4' T 14 0.908 6.990 7.518 151 H3* T 14 H3' T 14 1.931 5.899 5.171 152 1H2* T 14 1H2' T 14 0.093 4.721 4.757 153 2H2* T 14 2H2' T 14 0.638 3.725 6.160 154 H1* T 14 H1' T 14 -0.524 4.742 7.714 155 H3 T 14 H3 T 14 -4.604 2.878 7.293 156 1H5M T 14 H51 T 14 -3.873 5.526 2.822 157 2H5M T 14 H52 T 14 -3.014 4.052 2.400 158 3H5M T 14 H53 T 14 -4.796 4.010 2.667 159 H6 T 14 H6 T 14 -1.765 5.229 4.285 160 1H5* A 15 1H5' A 15 2.284 4.862 10.008 161 2H5* A 15 2H5' A 15 3.622 4.022 10.805 162 H4* A 15 H4' A 15 1.584 2.871 11.400 163 H3* A 15 H3' A 15 3.549 1.506 9.695 164 H1* A 15 H1' A 15 -0.034 0.905 10.547 165 H8 A 15 H8 A 15 0.657 1.052 6.787 166 1H6 A 15 1H6 A 15 -5.418 -0.327 6.263 167 2H6 A 15 2H6 A 15 -3.936 -0.113 5.345 168 H2 A 15 H2 A 15 -4.349 0.153 10.585 169 1H2* A 15 1H2' A 15 1.944 0.365 8.540 170 2H2* A 15 2H2' A 15 1.323 -0.385 9.996 171 1H5* G 16 1H5' G 16 -0.668 0.008 13.712 172 2H5* G 16 2H5' G 16 0.587 -0.957 14.517 173 H4* G 16 H4' G 16 -1.307 -2.359 14.019 174 H3* G 16 H3' G 16 1.298 -2.940 13.273 175 H1* G 16 H1' G 16 -1.829 -3.983 11.862 176 H8 G 16 H8 G 16 -0.028 -2.319 8.930 177 H1 G 16 H1 G 16 -6.065 -3.919 7.517 178 1H2 G 16 1H2 G 16 -7.086 -4.654 9.361 179 2H2 G 16 2H2 G 16 -6.235 -4.765 10.903 180 1H2* G 16 1H2' G 16 0.708 -2.761 10.905 181 2H2* G 16 2H2' G 16 0.314 -4.497 11.148 182 1H5* C 17 1H5' C 17 -1.839 -5.778 14.902 183 2H5* C 17 2H5' C 17 -1.403 -7.342 15.638 184 H4* C 17 H4' C 17 -3.684 -7.347 14.653 185 H3* C 17 H3' C 17 -1.985 -9.370 14.488 186 H1* C 17 H1' C 17 -4.051 -8.192 11.669 187 1H4 C 17 1H4 C 17 -2.467 -5.553 6.141 188 2H4 C 17 2H4 C 17 -0.779 -5.381 6.586 189 H5 C 17 H5 C 17 0.096 -6.230 8.716 190 H6 C 17 H6 C 17 -0.586 -7.207 10.937 191 1H2* C 17 1H2' C 17 -1.147 -8.411 12.533 192 2H2* C 17 2H2' C 17 -2.118 -9.815 11.819 193 1H5* G 18 1H5' G 18 -3.658 -13.745 15.093 194 2H5* G 18 2H5' G 18 -2.932 -13.989 13.502 195 H4* G 18 H4' G 18 -5.899 -13.698 14.116 196 H3* G 18 H3' G 18 -4.543 -16.024 14.349 197 H1* G 18 H1' G 18 -6.066 -15.092 10.768 198 H8 G 18 H8 G 18 -2.160 -14.212 11.205 199 H1 G 18 H1 G 18 -4.349 -13.620 5.275 200 1H2 G 18 1H2 G 18 -6.540 -13.868 5.214 201 2H2 G 18 2H2 G 18 -7.446 -14.503 6.607 202 1H2* G 18 1H2' G 18 -3.572 -16.038 12.199 203 2H2* G 18 2H2' G 18 -5.027 -16.952 11.772 204 1H5* A 19 1H5' A 19 -9.038 -15.103 10.588 205 2H5* A 19 2H5' A 19 -9.890 -16.484 11.310 206 H4* A 19 H4' A 19 -9.784 -16.802 8.936 207 H3* A 19 H3' A 19 -8.284 -18.677 10.632 208 H1* A 19 H1' A 19 -7.831 -17.487 6.836 209 H8 A 19 H8 A 19 -5.040 -18.249 9.397 210 1H6 A 19 1H6 A 19 -1.249 -16.600 4.742 211 2H6 A 19 2H6 A 19 -1.327 -17.216 6.383 212 H2 A 19 H2 A 19 -5.495 -16.080 3.400 213 1H2* A 19 1H2' A 19 -7.009 -19.381 9.005 214 2H2* A 19 2H2' A 19 -8.332 -19.474 7.823 215 1H5* T 20 1H5' T 20 -10.391 -18.460 7.118 216 2H5* T 20 2H5' T 20 -11.792 -19.533 6.820 217 H4* T 20 H4' T 20 -10.769 -18.878 4.628 218 H3* T 20 H3' T 20 -11.177 -21.493 5.487 219 1H2* T 20 1H2' T 20 -8.872 -22.066 5.318 220 2H2* T 20 2H2' T 20 -9.407 -22.147 3.627 221 H1* T 20 H1' T 20 -8.615 -20.007 3.083 222 H3 T 20 H3 T 20 -4.042 -19.342 3.246 223 1H5M T 20 H51 T 20 -3.882 -21.200 7.580 224 2H5M T 20 H52 T 20 -5.511 -20.673 8.117 225 3H5M T 20 H53 T 20 -5.306 -22.268 7.394 226 H6 T 20 H6 T 20 -7.291 -21.040 6.322 227 1H5* G 21 1H5' G 21 -10.354 -20.178 0.560 228 2H5* G 21 2H5' G 21 -11.208 -21.473 -0.295 229 H4* G 21 H4' G 21 -9.170 -21.089 -1.494 230 H3* G 21 H3' G 21 -9.794 -23.581 -0.547 231 H1* G 21 H1' G 21 -6.460 -22.299 -1.121 232 H8 G 21 H8 G 21 -6.963 -22.434 2.475 233 H1 G 21 H1 G 21 -0.829 -21.724 0.927 234 1H2 G 21 1H2 G 21 -0.718 -21.420 -1.317 235 2H2 G 21 2H2 G 21 -2.168 -21.474 -2.318 236 1H2* G 21 1H2' G 21 -7.993 -23.425 1.036 237 2H2* G 21 2H2' G 21 -7.088 -24.149 -0.331 238 1H5* G 22 1H5' G 22 -7.392 -22.417 -4.516 239 2H5* G 22 2H5' G 22 -7.980 -23.574 -5.724 240 H4* G 22 H4' G 22 -5.850 -22.505 -6.424 241 H3* G 22 H3' G 22 -6.179 -25.145 -6.905 242 H1* G 22 H1' G 22 -2.971 -24.062 -5.085 243 H8 G 22 H8 G 22 -5.868 -24.566 -2.613 244 H1 G 22 H1 G 22 -0.082 -24.751 0.093 245 1H2 G 22 1H2 G 22 1.488 -24.477 -1.515 246 2H2 G 22 2H2 G 22 1.028 -24.157 -3.181 247 H3T G 22 H3T G 22 -3.979 -23.392 -6.952 248 1H2* G 22 1H2' G 22 -5.447 -25.640 -4.529 249 2H2* G 22 2H2' G 22 -4.061 -26.048 -5.618 250 1H1 BPI 25 H1 BPH 1 -7.698 -9.712 7.739 251 H2 BPI 25 H2 BPH 1 -8.410 -7.479 9.893 252 2HO BPI 25 HO2 BPH 1 -9.907 -8.412 7.631 253 H3 BPI 25 H3 BPH 1 -10.051 -9.043 10.757 254 3HO BPI 25 HO3 BPH 1 -10.460 -10.922 9.572 255 H4 BPI 25 H4 BPH 1 -8.485 -10.182 11.884 256 4HO BPI 25 HO4 BPH 1 -8.133 -8.028 12.336 257 H5 BPI 25 H5 BPH 1 -6.344 -11.197 12.284 258 H6 BPI 25 H6 BPH 1 -4.180 -11.910 11.467 259 H7 BPI 25 H7 BPH 1 -2.330 -11.677 9.859 260 H8 BPI 25 H8 BPH 1 -1.389 -10.435 7.951 261 H9 BPI 25 H9 BPH 1 -1.785 -9.840 5.521 262 H10 BPI 25 H10 BPH 1 -3.399 -9.527 3.635 263 H11 BPI 25 H11 BPH 1 -5.952 -9.835 4.179 264 H12 BPI 25 H12 BPH 1 -6.651 -10.380 6.216 Start of MODEL 6 1 1H5* C 1 1H5' C 1 5.619 -29.440 4.026 2 2H5* C 1 2H5' C 1 5.527 -30.465 2.580 3 H4* C 1 H4' C 1 5.505 -28.473 1.145 4 H3* C 1 H3' C 1 5.818 -27.006 3.722 5 H1* C 1 H1' C 1 3.298 -27.027 0.605 6 1H4 C 1 1H4 C 1 -2.204 -25.224 3.073 7 2H4 C 1 2H4 C 1 -1.631 -25.352 4.729 8 H5 C 1 H5 C 1 0.672 -26.307 5.238 9 H6 C 1 H6 C 1 2.744 -26.974 4.203 10 H5T C 1 H5T C 1 7.364 -28.450 2.540 11 1H2* C 1 1H2' C 1 4.184 -25.511 2.983 12 2H2* C 1 2H2' C 1 4.850 -25.538 1.298 13 1H5* C 2 1H5' C 2 6.255 -25.838 -0.516 14 2H5* C 2 2H5' C 2 7.378 -24.557 -1.028 15 H4* C 2 H4' C 2 5.140 -24.372 -2.103 16 H3* C 2 H3' C 2 6.379 -22.181 -0.585 17 H1* C 2 H1' C 2 2.769 -22.921 -1.269 18 1H4 C 2 1H4 C 2 -0.589 -22.689 4.180 19 2H4 C 2 2H4 C 2 0.821 -22.745 5.225 20 H5 C 2 H5 C 2 3.282 -23.075 4.041 21 H6 C 2 H6 C 2 4.263 -23.144 2.193 22 1H2* C 2 1H2' C 2 4.760 -21.760 0.722 23 2H2* C 2 2H2' C 2 4.026 -21.040 -0.722 24 1H5* A 3 1H5' A 3 1.374 -22.463 -3.592 25 2H5* A 3 2H5' A 3 1.960 -21.307 -4.798 26 H4* A 3 H4' A 3 -0.155 -20.670 -4.032 27 H3* A 3 H3' A 3 2.106 -18.903 -3.685 28 H1* A 3 H1' A 3 -1.258 -19.016 -1.915 29 H8 A 3 H8 A 3 1.825 -19.441 0.364 30 1H6 A 3 1H6 A 3 -2.148 -19.419 5.146 31 2H6 A 3 2H6 A 3 -0.459 -19.411 4.682 32 H2 A 3 H2 A 3 -4.493 -19.116 1.359 33 1H2* A 3 1H2' A 3 1.544 -18.237 -1.538 34 2H2* A 3 2H2' A 3 0.072 -17.475 -2.155 35 1H5* T 4 1H5' T 4 -2.384 -17.683 -4.320 36 2H5* T 4 2H5' T 4 -2.562 -16.194 -5.276 37 H4* T 4 H4' T 4 -4.236 -16.263 -3.413 38 H3* T 4 H3' T 4 -2.162 -14.161 -3.480 39 1H2* T 4 1H2' T 4 -2.247 -13.933 -1.321 40 2H2* T 4 2H2' T 4 -4.058 -13.709 -1.316 41 H1* T 4 H1' T 4 -4.522 -15.818 -0.829 42 H3 T 4 H3 T 4 -2.923 -16.476 3.369 43 1H5M T 4 H51 T 4 1.301 -16.665 0.284 44 2H5M T 4 H52 T 4 1.277 -14.923 0.582 45 3H5M T 4 H53 T 4 1.534 -16.060 1.936 46 H6 T 4 H6 T 4 -0.962 -15.575 -0.868 47 1H5* C 5 1H5' C 5 -7.044 -13.546 -3.094 48 2H5* C 5 2H5' C 5 -7.849 -12.017 -3.440 49 H4* C 5 H4' C 5 -7.814 -12.071 -1.141 50 H3* C 5 H3' C 5 -5.466 -10.410 -1.865 51 H1* C 5 H1' C 5 -6.787 -12.113 1.251 52 1H4 C 5 1H4 C 5 -1.250 -13.158 4.179 53 2H4 C 5 2H4 C 5 -0.297 -12.770 2.748 54 H5 C 5 H5 C 5 -1.411 -11.854 0.718 55 H6 C 5 H6 C 5 -3.698 -11.502 -0.318 56 1H2* C 5 1H2' C 5 -5.128 -10.052 0.207 57 2H2* C 5 2H2' C 5 -6.834 -10.089 0.734 58 1H5* +G 6 1H5' G 6 -9.380 -11.097 0.189 59 2H5* +G 6 2H5' G 6 -11.011 -10.455 -0.076 60 H4* +G 6 H4' G 6 -10.473 -10.478 2.246 61 H3* +G 6 H3' G 6 -11.043 -7.955 0.776 62 H1* +G 6 H1' G 6 -9.140 -8.509 4.043 63 H8 +G 6 H8 G 6 -7.230 -6.875 1.158 64 H1 +G 6 H1 G 6 -4.580 -6.516 6.989 65 1H2 +G 6 1H2 G 6 -6.053 -7.426 8.457 66 1H2* +G 6 1H2' G 6 -9.413 -6.698 1.768 67 2H2* +G 6 2H2' G 6 -10.272 -6.973 3.307 68 1H5* C 7 1H5' C 7 -12.787 -8.985 5.055 69 2H5* C 7 2H5' C 7 -14.238 -8.345 5.837 70 H4* C 7 H4' C 7 -12.432 -7.554 7.032 71 H3* C 7 H3' C 7 -13.990 -5.568 5.553 72 H1* C 7 H1' C 7 -10.514 -5.806 7.413 73 1H4 C 7 1H4 C 7 -5.449 -3.108 4.847 74 2H4 C 7 2H4 C 7 -6.198 -3.017 3.257 75 H5 C 7 H5 C 7 -8.519 -3.857 2.867 76 H6 C 7 H6 C 7 -10.436 -4.871 3.963 77 1H2* C 7 1H2' C 7 -11.915 -4.257 5.304 78 2H2* C 7 2H2' C 7 -11.951 -4.116 7.088 79 1H5* T 8 1H5' T 8 -12.263 -5.792 9.889 80 2H5* T 8 2H5' T 8 -13.520 -5.138 10.970 81 H4* T 8 H4' T 8 -11.261 -4.797 12.010 82 H3* T 8 H3' T 8 -13.062 -2.740 11.600 83 1H2* T 8 1H2' T 8 -11.547 -1.712 10.194 84 2H2* T 8 2H2' T 8 -10.696 -1.166 11.675 85 H1* T 8 H1' T 8 -9.279 -2.811 11.824 86 H3 T 8 H3 T 8 -6.465 -0.770 8.663 87 1H5M T 8 H51 T 8 -11.234 -1.057 6.536 88 2H5M T 8 H52 T 8 -9.842 -1.084 5.420 89 3H5M T 8 H53 T 8 -10.588 -2.613 5.987 90 H6 T 8 H6 T 8 -10.864 -2.588 8.723 91 1H5* A 9 1H5' A 9 -10.537 0.302 13.266 92 2H5* A 9 2H5' A 9 -9.389 -1.091 13.410 93 H4* A 9 H4' A 9 -8.480 0.315 15.494 94 H3* A 9 H3' A 9 -10.937 1.455 15.298 95 H1* A 9 H1' A 9 -7.849 2.991 13.630 96 H8 A 9 H8 A 9 -10.430 1.396 11.102 97 1H6 A 9 1H6 A 9 -6.333 2.297 6.578 98 2H6 A 9 2H6 A 9 -7.924 1.708 6.991 99 H2 A 9 H2 A 9 -4.384 3.410 10.478 100 1H2* A 9 1H2' A 9 -10.614 2.250 13.054 101 2H2* A 9 2H2' A 9 -9.854 3.619 13.898 102 1H5* C 10 1H5' C 10 -7.784 4.043 16.608 103 2H5* C 10 2H5' C 10 -7.934 5.629 17.385 104 H4* C 10 H4' C 10 -6.726 5.671 15.148 105 H3* C 10 H3' C 10 -9.171 7.239 15.656 106 H1* C 10 H1' C 10 -6.902 6.001 12.776 107 1H4 C 10 1H4 C 10 -9.465 4.250 7.464 108 2H4 C 10 2H4 C 10 -11.080 4.017 8.121 109 H5 C 10 H5 C 10 -11.506 4.479 10.709 110 H6 C 10 H6 C 10 -10.345 5.335 12.662 111 1H2* C 10 1H2' C 10 -9.649 6.899 13.368 112 2H2* C 10 2H2' C 10 -8.131 7.814 12.930 113 1H5* C 11 1H5' C 11 -3.758 7.985 12.323 114 2H5* C 11 2H5' C 11 -3.875 9.219 13.581 115 H4* C 11 H4' C 11 -4.530 10.392 11.589 116 H3* C 11 H3' C 11 -6.883 9.635 13.145 117 H1* C 11 H1' C 11 -6.239 10.328 9.359 118 1H4 C 11 1H4 C 11 -10.948 7.016 6.995 119 2H4 C 11 2H4 C 11 -11.826 6.932 8.521 120 H5 C 11 H5 C 11 -10.969 8.055 10.521 121 H6 C 11 H6 C 11 -8.959 9.281 11.453 122 H3T C 11 H3T C 11 -5.550 10.834 14.286 123 1H2* C 11 1H2' C 11 -7.990 11.095 11.432 124 2H2* C 11 2H2' C 11 -6.346 11.765 11.112 125 1H5* G 12 1H5' G 12 -8.527 7.899 -3.607 126 2H5* G 12 2H5' G 12 -8.466 9.668 -3.703 127 H4* G 12 H4' G 12 -6.576 9.692 -2.126 128 H3* G 12 H3' G 12 -6.431 6.848 -2.699 129 H1* G 12 H1' G 12 -6.874 8.739 0.469 130 H8 G 12 H8 G 12 -10.294 6.943 -0.071 131 H1 G 12 H1 G 12 -8.506 8.178 5.954 132 1H2 G 12 1H2 G 12 -6.454 9.261 5.839 133 2H2 G 12 2H2 G 12 -5.597 9.292 4.288 134 H5T G 12 H5T G 12 -6.062 8.427 -4.083 135 1H2* G 12 1H2' G 12 -7.966 6.399 -1.034 136 2H2* G 12 2H2' G 12 -6.478 6.420 -0.020 137 1H5* G 13 1H5' G 13 -4.149 11.020 1.461 138 2H5* G 13 2H5' G 13 -2.733 10.536 0.522 139 H4* G 13 H4' G 13 -2.424 10.124 3.094 140 H3* G 13 H3' G 13 -1.736 8.192 1.165 141 H1* G 13 H1' G 13 -2.833 7.887 4.583 142 H8 G 13 H8 G 13 -5.420 6.363 2.202 143 H1 G 13 H1 G 13 -6.813 5.339 8.351 144 1H2 G 13 1H2 G 13 -5.237 6.457 9.614 145 2H2 G 13 2H2 G 13 -3.915 7.335 8.855 146 1H2* G 13 1H2' G 13 -3.286 6.647 2.056 147 2H2* G 13 2H2' G 13 -2.108 6.580 3.366 148 1H5* T 14 1H5' T 14 0.724 9.060 5.635 149 2H5* T 14 2H5' T 14 2.444 8.657 5.732 150 H4* T 14 H4' T 14 1.396 7.201 7.275 151 H3* T 14 H3' T 14 2.319 5.931 4.870 152 1H2* T 14 1H2' T 14 0.821 4.365 5.011 153 2H2* T 14 2H2' T 14 1.418 3.939 6.688 154 H1* T 14 H1' T 14 -0.064 5.111 7.742 155 H3 T 14 H3 T 14 -4.198 3.309 7.590 156 1H5M T 14 H51 T 14 -2.356 3.040 2.655 157 2H5M T 14 H52 T 14 -4.133 3.112 2.908 158 3H5M T 14 H53 T 14 -3.201 4.584 2.609 159 H6 T 14 H6 T 14 -1.057 4.698 4.244 160 1H5* A 15 1H5' A 15 1.371 5.284 10.365 161 2H5* A 15 2H5' A 15 2.877 4.587 10.993 162 H4* A 15 H4' A 15 0.892 3.242 11.642 163 H3* A 15 H3' A 15 3.071 2.041 10.100 164 H1* A 15 H1' A 15 -0.523 1.160 10.716 165 H8 A 15 H8 A 15 0.405 1.281 7.018 166 1H6 A 15 1H6 A 15 -5.573 -0.412 6.180 167 2H6 A 15 2H6 A 15 -4.057 -0.142 5.338 168 H2 A 15 H2 A 15 -4.752 0.248 10.548 169 1H2* A 15 1H2' A 15 1.646 0.717 8.866 170 2H2* A 15 2H2' A 15 0.967 -0.026 10.286 171 1H5* G 16 1H5' G 16 -0.059 0.022 13.616 172 2H5* G 16 2H5' G 16 1.078 -1.057 14.436 173 H4* G 16 H4' G 16 -1.051 -2.224 14.252 174 H3* G 16 H3' G 16 1.387 -3.244 13.239 175 H1* G 16 H1' G 16 -1.917 -3.951 12.068 176 H8 G 16 H8 G 16 -0.139 -2.108 9.174 177 H1 G 16 H1 G 16 -6.062 -3.953 7.593 178 1H2 G 16 1H2 G 16 -7.094 -4.806 9.348 179 2H2 G 16 2H2 G 16 -6.314 -4.933 10.924 180 1H2* G 16 1H2' G 16 0.690 -2.913 11.085 181 2H2* G 16 2H2' G 16 0.177 -4.620 11.349 182 1H5* C 17 1H5' C 17 -1.808 -6.104 15.087 183 2H5* C 17 2H5' C 17 -1.271 -7.678 15.726 184 H4* C 17 H4' C 17 -3.486 -7.852 14.599 185 H3* C 17 H3' C 17 -1.446 -9.571 14.314 186 H1* C 17 H1' C 17 -3.800 -8.402 11.669 187 1H4 C 17 1H4 C 17 -2.477 -5.366 6.204 188 2H4 C 17 2H4 C 17 -0.808 -5.131 6.667 189 H5 C 17 H5 C 17 0.116 -5.980 8.703 190 H6 C 17 H6 C 17 -0.430 -7.089 10.892 191 1H2* C 17 1H2' C 17 -0.845 -8.465 12.395 192 2H2* C 17 2H2' C 17 -1.702 -9.919 11.654 193 1H5* G 18 1H5' G 18 -5.879 -12.026 13.751 194 2H5* G 18 2H5' G 18 -5.786 -13.232 15.046 195 H4* G 18 H4' G 18 -6.685 -14.118 12.953 196 H3* G 18 H3' G 18 -4.358 -15.315 14.226 197 H1* G 18 H1' G 18 -5.708 -15.112 10.505 198 H8 G 18 H8 G 18 -1.883 -14.114 10.954 199 H1 G 18 H1 G 18 -4.119 -13.530 5.021 200 1H2 G 18 1H2 G 18 -6.302 -13.830 4.968 201 2H2 G 18 2H2 G 18 -7.203 -14.435 6.368 202 1H2* G 18 1H2' G 18 -3.217 -15.615 12.257 203 2H2* G 18 2H2' G 18 -4.408 -16.797 11.748 204 1H5* A 19 1H5' A 19 -9.264 -14.944 10.866 205 2H5* A 19 2H5' A 19 -9.885 -16.235 11.905 206 H4* A 19 H4' A 19 -10.014 -16.758 9.461 207 H3* A 19 H3' A 19 -8.558 -18.635 11.236 208 H1* A 19 H1' A 19 -8.094 -17.632 7.361 209 H8 A 19 H8 A 19 -5.372 -18.549 9.967 210 1H6 A 19 1H6 A 19 -1.457 -17.062 5.369 211 2H6 A 19 2H6 A 19 -1.562 -17.606 7.034 212 H2 A 19 H2 A 19 -5.630 -16.268 3.997 213 1H2* A 19 1H2' A 19 -7.404 -19.533 9.546 214 2H2* A 19 2H2' A 19 -8.797 -19.485 8.456 215 1H5* T 20 1H5' T 20 -10.814 -18.341 7.877 216 2H5* T 20 2H5' T 20 -12.250 -19.334 7.484 217 H4* T 20 H4' T 20 -11.060 -18.567 5.416 218 H3* T 20 H3' T 20 -11.666 -21.271 6.020 219 1H2* T 20 1H2' T 20 -9.429 -22.045 5.690 220 2H2* T 20 2H2' T 20 -9.956 -21.763 4.023 221 H1* T 20 H1' T 20 -8.925 -19.661 3.854 222 H3 T 20 H3 T 20 -4.375 -19.626 4.222 223 1H5M T 20 H51 T 20 -6.069 -22.740 8.086 224 2H5M T 20 H52 T 20 -4.549 -21.843 8.361 225 3H5M T 20 H53 T 20 -6.109 -21.181 8.919 226 H6 T 20 H6 T 20 -7.920 -21.213 6.990 227 1H5* G 21 1H5' G 21 -9.867 -18.636 0.720 228 2H5* G 21 2H5' G 21 -11.140 -19.688 0.081 229 H4* G 21 H4' G 21 -9.130 -20.077 -1.186 230 H3* G 21 H3' G 21 -10.509 -22.137 -0.036 231 H1* G 21 H1' G 21 -6.964 -22.090 -0.667 232 H8 G 21 H8 G 21 -7.387 -22.025 2.980 233 H1 G 21 H1 G 21 -1.265 -22.389 1.260 234 1H2 G 21 1H2 G 21 -1.134 -22.072 -0.996 235 2H2 G 21 2H2 G 21 -2.592 -21.874 -1.965 236 1H2* G 21 1H2' G 21 -8.751 -22.456 1.550 237 2H2* G 21 2H2' G 21 -8.127 -23.535 0.263 238 1H5* G 22 1H5' G 22 -8.062 -21.940 -4.063 239 2H5* G 22 2H5' G 22 -8.928 -23.004 -5.192 240 H4* G 22 H4' G 22 -6.650 -22.430 -5.988 241 H3* G 22 H3' G 22 -7.535 -24.953 -6.355 242 H1* G 22 H1' G 22 -4.121 -24.494 -4.639 243 H8 G 22 H8 G 22 -6.986 -24.474 -2.054 244 H1 G 22 H1 G 22 -1.159 -25.332 0.434 245 1H2 G 22 1H2 G 22 0.352 -25.299 -1.254 246 2H2 G 22 2H2 G 22 -0.126 -24.923 -2.903 247 H3T G 22 H3T G 22 -5.015 -23.718 -6.507 248 1H2* G 22 1H2' G 22 -6.853 -25.536 -3.991 249 2H2* G 22 2H2' G 22 -5.598 -26.230 -5.090 250 1H1 BPI 25 H1 BPH 1 -7.500 -9.743 7.355 251 H2 BPI 25 H2 BPH 1 -8.531 -7.718 9.552 252 2HO BPI 25 HO2 BPH 1 -10.231 -8.170 7.601 253 H3 BPI 25 H3 BPH 1 -10.003 -9.486 10.212 254 3HO BPI 25 HO3 BPH 1 -9.257 -11.553 8.822 255 H4 BPI 25 H4 BPH 1 -8.378 -10.499 11.408 256 4HO BPI 25 HO4 BPH 1 -7.612 -8.661 12.211 257 H5 BPI 25 H5 BPH 1 -6.120 -11.227 11.919 258 H6 BPI 25 H6 BPH 1 -3.913 -11.809 11.120 259 H7 BPI 25 H7 BPH 1 -2.060 -11.503 9.480 260 H8 BPI 25 H8 BPH 1 -1.189 -10.206 7.616 261 H9 BPI 25 H9 BPH 1 -1.601 -9.619 5.181 262 H10 BPI 25 H10 BPH 1 -3.226 -9.391 3.283 263 H11 BPI 25 H11 BPH 1 -5.745 -9.855 3.808 264 H12 BPI 25 H12 BPH 1 -6.450 -10.370 5.855 Start of MODEL 7 1 1H5* C 1 1H5' C 1 7.729 -29.137 2.502 2 2H5* C 1 2H5' C 1 6.537 -28.991 3.775 3 H4* C 1 H4' C 1 6.201 -28.337 0.808 4 H3* C 1 H3' C 1 6.613 -26.558 3.166 5 H1* C 1 H1' C 1 3.864 -27.032 0.269 6 1H4 C 1 1H4 C 1 -1.500 -25.153 2.953 7 2H4 C 1 2H4 C 1 -0.834 -25.178 4.579 8 H5 C 1 H5 C 1 1.539 -26.100 4.999 9 H6 C 1 H6 C 1 3.526 -26.787 3.876 10 H5T C 1 H5T C 1 5.227 -30.450 2.426 11 1H2* C 1 1H2' C 1 4.790 -25.289 2.476 12 2H2* C 1 2H2' C 1 5.352 -25.362 0.758 13 1H5* C 2 1H5' C 2 6.464 -25.490 -1.244 14 2H5* C 2 2H5' C 2 7.602 -24.219 -1.774 15 H4* C 2 H4' C 2 5.365 -23.930 -2.814 16 H3* C 2 H3' C 2 6.691 -21.871 -1.252 17 H1* C 2 H1' C 2 3.034 -22.462 -1.878 18 1H4 C 2 1H4 C 2 -0.147 -22.459 3.736 19 2H4 C 2 2H4 C 2 1.314 -22.592 4.702 20 H5 C 2 H5 C 2 3.689 -22.958 3.405 21 H6 C 2 H6 C 2 4.596 -22.969 1.515 22 1H2* C 2 1H2' C 2 5.106 -21.519 0.131 23 2H2* C 2 2H2' C 2 4.303 -20.673 -1.227 24 1H5* A 3 1H5' A 3 3.116 -20.899 -4.136 25 2H5* A 3 2H5' A 3 3.509 -19.439 -5.066 26 H4* A 3 H4' A 3 1.205 -19.437 -4.541 27 H3* A 3 H3' A 3 2.963 -17.343 -3.748 28 H1* A 3 H1' A 3 -0.333 -18.380 -2.267 29 H8 A 3 H8 A 3 2.548 -18.843 0.259 30 1H6 A 3 1H6 A 3 -1.752 -19.618 4.609 31 2H6 A 3 2H6 A 3 -0.051 -19.437 4.237 32 H2 A 3 H2 A 3 -3.853 -19.048 0.635 33 1H2* A 3 1H2' A 3 2.331 -17.350 -1.461 34 2H2* A 3 2H2' A 3 0.788 -16.674 -2.000 35 1H5* T 4 1H5' T 4 -1.599 -16.691 -5.287 36 2H5* T 4 2H5' T 4 -2.233 -15.217 -6.075 37 H4* T 4 H4' T 4 -3.532 -15.575 -4.156 38 H3* T 4 H3' T 4 -1.632 -13.353 -3.814 39 1H2* T 4 1H2' T 4 -2.054 -13.312 -1.685 40 2H2* T 4 2H2' T 4 -3.851 -13.390 -1.828 41 H1* T 4 H1' T 4 -3.937 -15.618 -1.612 42 H3 T 4 H3 T 4 -2.789 -16.392 2.647 43 1H5M T 4 H51 T 4 1.625 -15.060 1.887 44 2H5M T 4 H52 T 4 1.755 -15.525 0.164 45 3H5M T 4 H53 T 4 1.320 -13.866 0.603 46 H6 T 4 H6 T 4 -0.509 -14.749 -1.215 47 1H5* C 5 1H5' C 5 -7.247 -14.055 -2.443 48 2H5* C 5 2H5' C 5 -7.602 -12.463 -3.162 49 H4* C 5 H4' C 5 -8.089 -12.395 -0.711 50 H3* C 5 H3' C 5 -5.689 -10.850 -1.589 51 H1* C 5 H1' C 5 -6.946 -12.279 1.730 52 1H4 C 5 1H4 C 5 -1.308 -13.317 4.401 53 2H4 C 5 2H4 C 5 -0.385 -12.893 2.955 54 H5 C 5 H5 C 5 -1.578 -11.958 0.981 55 H6 C 5 H6 C 5 -3.890 -11.628 0.016 56 1H2* C 5 1H2' C 5 -5.382 -10.233 0.533 57 2H2* C 5 2H2' C 5 -7.107 -10.345 0.980 58 1H5* +G 6 1H5' G 6 -9.638 -11.340 0.485 59 2H5* +G 6 2H5' G 6 -11.246 -10.640 0.262 60 H4* +G 6 H4' G 6 -10.596 -10.549 2.506 61 H3* +G 6 H3' G 6 -11.089 -8.064 0.938 62 H1* +G 6 H1' G 6 -9.148 -8.585 4.195 63 H8 +G 6 H8 G 6 -7.192 -7.078 1.282 64 H1 +G 6 H1 G 6 -4.629 -6.659 7.141 65 1H2 +G 6 1H2 G 6 -6.137 -7.466 8.587 66 1H2* +G 6 1H2' G 6 -9.379 -6.838 1.870 67 2H2* +G 6 2H2' G 6 -10.252 -7.042 3.431 68 1H5* C 7 1H5' C 7 -12.730 -8.884 5.277 69 2H5* C 7 2H5' C 7 -14.147 -8.163 6.089 70 H4* C 7 H4' C 7 -12.279 -7.441 7.208 71 H3* C 7 H3' C 7 -13.939 -5.466 5.881 72 H1* C 7 H1' C 7 -10.382 -5.604 7.400 73 1H4 C 7 1H4 C 7 -5.259 -3.179 4.765 74 2H4 C 7 2H4 C 7 -5.973 -3.109 3.154 75 H5 C 7 H5 C 7 -8.327 -3.935 2.766 76 H6 C 7 H6 C 7 -10.254 -4.869 3.872 77 1H2* C 7 1H2' C 7 -11.837 -4.357 5.092 78 2H2* C 7 2H2' C 7 -11.735 -3.893 6.824 79 1H5* T 8 1H5' T 8 -12.530 -5.866 10.445 80 2H5* T 8 2H5' T 8 -13.409 -5.277 11.836 81 H4* T 8 H4' T 8 -11.259 -4.291 12.087 82 H3* T 8 H3' T 8 -13.266 -2.439 11.399 83 1H2* T 8 1H2' T 8 -11.778 -1.474 9.990 84 2H2* T 8 2H2' T 8 -10.834 -0.913 11.403 85 H1* T 8 H1' T 8 -9.444 -2.551 11.501 86 H3 T 8 H3 T 8 -6.571 -0.796 8.390 87 1H5M T 8 H51 T 8 -11.397 -0.638 6.309 88 2H5M T 8 H52 T 8 -10.087 -0.721 5.157 89 3H5M T 8 H53 T 8 -10.852 -2.223 5.643 90 H6 T 8 H6 T 8 -11.120 -2.228 8.461 91 1H5* A 9 1H5' A 9 -10.749 0.605 12.864 92 2H5* A 9 2H5' A 9 -9.596 -0.706 13.220 93 H4* A 9 H4' A 9 -8.791 0.894 15.176 94 H3* A 9 H3' A 9 -11.217 2.046 14.807 95 H1* A 9 H1' A 9 -8.160 3.344 13.064 96 H8 A 9 H8 A 9 -10.595 1.591 10.494 97 1H6 A 9 1H6 A 9 -6.163 2.140 6.212 98 2H6 A 9 2H6 A 9 -7.776 1.575 6.538 99 H2 A 9 H2 A 9 -4.455 3.387 10.174 100 1H2* A 9 1H2' A 9 -10.869 2.391 12.428 101 2H2* A 9 2H2' A 9 -10.313 3.903 13.023 102 1H5* C 10 1H5' C 10 -7.484 4.340 16.056 103 2H5* C 10 2H5' C 10 -7.203 5.939 16.769 104 H4* C 10 H4' C 10 -6.429 6.020 14.476 105 H3* C 10 H3' C 10 -8.806 7.586 15.144 106 H1* C 10 H1' C 10 -6.699 6.433 12.134 107 1H4 C 10 1H4 C 10 -8.998 4.335 6.868 108 2H4 C 10 2H4 C 10 -10.659 4.184 7.431 109 H5 C 10 H5 C 10 -11.191 4.775 9.940 110 H6 C 10 H6 C 10 -10.101 5.729 11.937 111 1H2* C 10 1H2' C 10 -9.435 7.089 12.911 112 2H2* C 10 2H2' C 10 -8.044 8.144 12.348 113 1H5* C 11 1H5' C 11 -3.457 8.464 11.793 114 2H5* C 11 2H5' C 11 -3.629 9.664 13.083 115 H4* C 11 H4' C 11 -4.461 10.753 11.147 116 H3* C 11 H3' C 11 -6.773 9.819 12.725 117 H1* C 11 H1' C 11 -6.239 10.526 8.954 118 1H4 C 11 1H4 C 11 -10.747 6.823 6.839 119 2H4 C 11 2H4 C 11 -11.782 7.113 8.231 120 H5 C 11 H5 C 11 -10.977 8.434 10.169 121 H6 C 11 H6 C 11 -9.011 9.686 11.059 122 H3T C 11 H3T C 11 -5.408 11.083 13.889 123 1H2* C 11 1H2' C 11 -7.901 11.380 11.063 124 2H2* C 11 2H2' C 11 -6.229 11.972 10.745 125 1H5* G 12 1H5' G 12 -8.123 8.215 -4.596 126 2H5* G 12 2H5' G 12 -9.080 7.079 -3.642 127 H4* G 12 H4' G 12 -7.389 9.382 -2.537 128 H3* G 12 H3' G 12 -6.474 6.777 -3.181 129 H1* G 12 H1' G 12 -6.934 8.406 0.144 130 H8 G 12 H8 G 12 -9.919 5.901 -0.095 131 H1 G 12 H1 G 12 -8.298 7.837 5.779 132 1H2 G 12 1H2 G 12 -6.526 9.243 5.593 133 2H2 G 12 2H2 G 12 -5.759 9.531 4.026 134 H5T G 12 H5T G 12 -10.138 9.039 -2.807 135 1H2* G 12 1H2' G 12 -7.653 5.880 -1.299 136 2H2* G 12 2H2' G 12 -6.085 6.278 -0.542 137 1H5* G 13 1H5' G 13 -4.026 9.993 -0.214 138 2H5* G 13 2H5' G 13 -2.337 9.790 -0.729 139 H4* G 13 H4' G 13 -2.345 10.125 1.793 140 H3* G 13 H3' G 13 -1.133 7.909 0.567 141 H1* G 13 H1' G 13 -2.554 8.218 3.815 142 H8 G 13 H8 G 13 -4.955 6.247 1.576 143 H1 G 13 H1 G 13 -6.382 5.455 7.752 144 1H2 G 13 1H2 G 13 -4.941 6.703 8.977 145 2H2 G 13 2H2 G 13 -3.652 7.653 8.233 146 1H2* G 13 1H2' G 13 -2.800 6.562 1.585 147 2H2* G 13 2H2' G 13 -1.629 6.717 2.972 148 1H5* T 14 1H5' T 14 0.224 8.835 5.255 149 2H5* T 14 2H5' T 14 1.966 8.488 5.232 150 H4* T 14 H4' T 14 0.970 7.249 7.192 151 H3* T 14 H3' T 14 2.290 5.914 5.114 152 1H2* T 14 1H2' T 14 0.707 4.371 5.004 153 2H2* T 14 2H2' T 14 1.211 3.899 6.706 154 H1* T 14 H1' T 14 -0.348 5.026 7.714 155 H3 T 14 H3 T 14 -4.294 2.865 7.138 156 1H5M T 14 H51 T 14 -3.052 4.585 2.345 157 2H5M T 14 H52 T 14 -2.099 3.120 2.329 158 3H5M T 14 H53 T 14 -3.890 3.018 2.456 159 H6 T 14 H6 T 14 -1.092 4.738 4.136 160 1H5* A 15 1H5' A 15 1.786 5.094 9.715 161 2H5* A 15 2H5' A 15 3.173 4.342 10.520 162 H4* A 15 H4' A 15 1.044 3.316 11.364 163 H3* A 15 H3' A 15 3.118 1.750 10.104 164 H1* A 15 H1' A 15 -0.556 1.247 10.666 165 H8 A 15 H8 A 15 0.397 1.190 6.981 166 1H6 A 15 1H6 A 15 -5.551 -0.526 6.060 167 2H6 A 15 2H6 A 15 -4.002 -0.289 5.269 168 H2 A 15 H2 A 15 -4.814 0.224 10.448 169 1H2* A 15 1H2' A 15 1.561 0.533 8.838 170 2H2* A 15 2H2' A 15 0.838 -0.081 10.314 171 1H5* G 16 1H5' G 16 -0.083 -0.010 13.640 172 2H5* G 16 2H5' G 16 1.022 -1.084 14.520 173 H4* G 16 H4' G 16 -1.120 -2.242 14.275 174 H3* G 16 H3' G 16 1.341 -3.282 13.357 175 H1* G 16 H1' G 16 -1.967 -3.939 12.113 176 H8 G 16 H8 G 16 -0.045 -2.234 9.226 177 H1 G 16 H1 G 16 -5.972 -3.999 7.565 178 1H2 G 16 1H2 G 16 -7.060 -4.733 9.343 179 2H2 G 16 2H2 G 16 -6.284 -4.882 10.924 180 1H2* G 16 1H2' G 16 0.703 -3.019 11.166 181 2H2* G 16 2H2' G 16 0.152 -4.704 11.482 182 1H5* C 17 1H5' C 17 -1.930 -5.940 15.200 183 2H5* C 17 2H5' C 17 -1.531 -7.528 15.894 184 H4* C 17 H4' C 17 -3.757 -7.510 14.805 185 H3* C 17 H3' C 17 -2.025 -9.515 14.619 186 H1* C 17 H1' C 17 -4.104 -8.204 11.839 187 1H4 C 17 1H4 C 17 -2.395 -5.634 6.308 188 2H4 C 17 2H4 C 17 -0.723 -5.474 6.807 189 H5 C 17 H5 C 17 0.079 -6.217 8.949 190 H6 C 17 H6 C 17 -0.643 -7.160 11.194 191 1H2* C 17 1H2' C 17 -1.184 -8.519 12.672 192 2H2* C 17 2H2' C 17 -2.174 -9.899 11.965 193 1H5* G 18 1H5' G 18 -3.367 -13.890 15.177 194 2H5* G 18 2H5' G 18 -2.606 -14.054 13.589 195 H4* G 18 H4' G 18 -5.592 -13.869 14.147 196 H3* G 18 H3' G 18 -4.152 -16.160 14.338 197 H1* G 18 H1' G 18 -5.801 -15.165 10.852 198 H8 G 18 H8 G 18 -1.917 -14.202 11.157 199 H1 G 18 H1 G 18 -4.251 -13.779 5.259 200 1H2 G 18 1H2 G 18 -6.434 -14.115 5.257 201 2H2 G 18 2H2 G 18 -7.283 -14.760 6.679 202 1H2* G 18 1H2' G 18 -3.225 -16.090 12.177 203 2H2* G 18 2H2' G 18 -4.659 -17.045 11.758 204 1H5* A 19 1H5' A 19 -8.734 -15.137 10.692 205 2H5* A 19 2H5' A 19 -9.606 -16.471 11.482 206 H4* A 19 H4' A 19 -9.608 -16.868 9.121 207 H3* A 19 H3' A 19 -8.090 -18.710 10.825 208 H1* A 19 H1' A 19 -7.760 -17.671 6.962 209 H8 A 19 H8 A 19 -4.875 -18.394 9.433 210 1H6 A 19 1H6 A 19 -1.244 -16.915 4.622 211 2H6 A 19 2H6 A 19 -1.290 -17.492 6.278 212 H2 A 19 H2 A 19 -5.527 -16.386 3.391 213 1H2* A 19 1H2' A 19 -6.886 -19.498 9.174 214 2H2* A 19 2H2' A 19 -8.255 -19.613 8.050 215 1H5* T 20 1H5' T 20 -10.322 -18.596 7.406 216 2H5* T 20 2H5' T 20 -11.745 -19.647 7.158 217 H4* T 20 H4' T 20 -10.722 -19.097 4.942 218 H3* T 20 H3' T 20 -11.170 -21.674 5.906 219 1H2* T 20 1H2' T 20 -8.890 -22.341 5.650 220 2H2* T 20 2H2' T 20 -9.460 -22.384 3.970 221 H1* T 20 H1' T 20 -8.586 -20.277 3.421 222 H3 T 20 H3 T 20 -3.989 -19.791 3.558 223 1H5M T 20 H51 T 20 -3.872 -21.613 7.907 224 2H5M T 20 H52 T 20 -5.466 -21.004 8.456 225 3H5M T 20 H53 T 20 -5.337 -22.621 7.762 226 H6 T 20 H6 T 20 -7.295 -21.333 6.659 227 1H5* G 21 1H5' G 21 -10.498 -20.520 0.981 228 2H5* G 21 2H5' G 21 -11.430 -21.792 0.180 229 H4* G 21 H4' G 21 -9.418 -21.529 -1.115 230 H3* G 21 H3' G 21 -10.072 -23.951 -0.011 231 H1* G 21 H1' G 21 -6.725 -22.778 -0.821 232 H8 G 21 H8 G 21 -7.043 -22.782 2.790 233 H1 G 21 H1 G 21 -0.999 -22.215 0.880 234 1H2 G 21 1H2 G 21 -0.988 -21.996 -1.365 235 2H2 G 21 2H2 G 21 -2.496 -22.064 -2.287 236 1H2* G 21 1H2' G 21 -8.184 -23.814 1.451 237 2H2* G 21 2H2' G 21 -7.363 -24.591 0.071 238 1H5* G 22 1H5' G 22 -7.978 -23.159 -4.258 239 2H5* G 22 2H5' G 22 -8.657 -24.392 -5.340 240 H4* G 22 H4' G 22 -6.482 -23.498 -6.205 241 H3* G 22 H3' G 22 -7.003 -26.111 -6.413 242 H1* G 22 H1' G 22 -3.688 -25.026 -4.772 243 H8 G 22 H8 G 22 -6.501 -25.257 -2.145 244 H1 G 22 H1 G 22 -0.587 -25.344 0.259 245 1H2 G 22 1H2 G 22 0.891 -25.262 -1.481 246 2H2 G 22 2H2 G 22 0.326 -25.000 -3.124 247 H3T G 22 H3T G 22 -4.691 -24.542 -6.720 248 1H2* G 22 1H2' G 22 -6.241 -26.424 -4.035 249 2H2* G 22 2H2' G 22 -4.875 -27.014 -5.087 250 1H1 BPI 25 H1 BPH 1 -7.633 -9.772 7.580 251 H2 BPI 25 H2 BPH 1 -8.521 -7.601 9.727 252 2HO BPI 25 HO2 BPH 1 -9.778 -8.364 7.249 253 H3 BPI 25 H3 BPH 1 -10.175 -9.221 10.402 254 3HO BPI 25 HO3 BPH 1 -10.758 -10.398 8.635 255 H4 BPI 25 H4 BPH 1 -8.694 -10.352 11.616 256 4HO BPI 25 HO4 BPH 1 -7.153 -8.442 12.006 257 H5 BPI 25 H5 BPH 1 -6.516 -11.252 12.222 258 H6 BPI 25 H6 BPH 1 -4.282 -11.936 11.514 259 H7 BPI 25 H7 BPH 1 -2.370 -11.740 9.974 260 H8 BPI 25 H8 BPH 1 -1.365 -10.474 8.085 261 H9 BPI 25 H9 BPH 1 -1.657 -9.923 5.640 262 H10 BPI 25 H10 BPH 1 -3.214 -9.617 3.695 263 H11 BPI 25 H11 BPH 1 -5.731 -9.940 4.112 264 H12 BPI 25 H12 BPH 1 -6.541 -10.501 6.152
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